A0A087WYZ9_HUMAN Loading...

Histone-lysine N-methyltransferase SETDB2

Histone methyltransferase involved in left-right axis specification in early development and mitosis. Specifically trimethylates 'Lys-9' of histone H3 (H3K9me3). H3K9me3 is a specific tag for epigenetic transcriptional repression that recruits HP1 (CBX1, CBX3 and/or CBX5) proteins to methylated histones. Contributes to H3K9me3 in both the interspersed repetitive elements and centromere-associated repeats. Plays a role in chromosome condensation and segregation during mitosis.

AlphaFold DB , UniProt , Accession A0A087WYZ9, Species HUMAN (Homo sapiens, Human), Gene SETDB2, Length 719 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.2Very low51.9Low249 Ų249123.4 Ų123.4100%1.22767%0.67SS**  0133.90-65.5172.2175.700108.2
2G34.6Very low54Low76 Ų76121.3 Ų121.378%0.78465%0.646SS**PPolyproline II helixtrans-102.9126.9177.800000111.5K4G2-K4 PolarHBondContact O-N 3.18Å
3K36.5Very low55.7Low176 Ų176118.8 Ų118.877%0.76563%0.629SS**PPolyproline II helixtrans-65129167.9-82.9-160.9171.3-167.60108.9E14K3-E14 IonicContact NZ-OE2 2.72Å; K3-E14 PolarHBondContact NZ-OE2 2.97Å
4K38Very low57Low189 Ų189116.1 Ų116.182%0.82261%0.611SS**PPolyproline II helixtrans-59.8157.3163.3-73.1-175.9176.6-176.50109.1G2 S6G2-K4 PolarHBondContact O-N 3.18Å; K4-S6 PolarHBondContact O-N 2.86Å
5P40.8Very low58Low130 Ų130110.2 Ų110.284%0.84458%0.581SS**  trans-61107.2166.926.7-33.1000108.6D7P5-D7 PolarHBondContact O-N 2.94Å
6S44.7Very low58.9Low49 Ų49111.6 Ų111.634%0.34358%0.583SS.*  trans-58.3131.5175.5-158.10000108.5K4 T10 F11 E14K4-S6 PolarHBondContact O-N 2.86Å; S6-T10 WeakPolarHBondContact OG-CB 3.04Å; S6-T10 VanDerWaalsContact OG-CG2 3.24Å; S6-T10 WeakPolarHBondContact OG-CG2 3.36Å; S6-F11 PolarHBondContact OG-N 3.09Å; S6-E14 PolarHBondContact OG-OE1 2.82Å; S6-E14 VanDerWaalsContact OG-OE1 3.06Å
7D63.2Low59.1Low110 Ų110114 Ų11459%0.58860%0.597SS**  trans-62.6153.5171-179.434000108.8P5 K9 T10 F11P5-D7 PolarHBondContact O-N 2.94Å; D7-K9 PolarHBondContact O-N 3.09Å; D7-K9 VanDerWaalsContact O-N 3.1Å; D7-T10 PolarHBondContact O-N 2.7Å; D7-F11 PolarHBondContact O-N 3.49Å
8A62.3Low59.6Low59 Ų59112.5 Ų112.549%0.48859%0.589SS.*Hα-helixtrans-55.3-35.5-177.200000111.7W12A8-W12 PolarHBondContact O-N 3Å; A8-W12 VanDerWaalsContact O-N 3.09Å
9K70.4Confident60.2Low146 Ų146109.3 Ų109.364%0.63559%0.587SS**Hα-helixtrans-61.8-46.6173.5-174.4178179.6-177.90112.5D7 W12 M13D7-K9 PolarHBondContact O-N 3.09Å; D7-K9 VanDerWaalsContact O-N 3.1Å; K9-W12 PolarHBondContact O-N 3.27Å; K9-M13 HydrophobicContact CD-SD 4.47Å; K9-M13 HydrophobicContact CG-SD 4.02Å; K9-M13 WeakPolarHBondContact O-CG 3.07Å; K9-M13 PolarHBondContact O-N 2.82Å
10T73.2Confident61Low69 Ų69108.3 Ų108.342%0.42358%0.576SS.*Hα-helixtrans-69.2-36180-53.50000111.6S6 D7 M13 E14S6-T10 WeakPolarHBondContact OG-CB 3.04Å; S6-T10 VanDerWaalsContact OG-CG2 3.24Å; S6-T10 WeakPolarHBondContact OG-CG2 3.36Å; D7-T10 PolarHBondContact O-N 2.7Å; T10-M13 PolarHBondContact O-N 3.25Å; T10-E14 WeakPolarHBondContact O-CB 3.39Å; T10-E14 WeakPolarHBondContact O-CG 3.21Å; T10-E14 PolarHBondContact O-N 3.4Å
11F75.5Confident61.9Low104 Ų104104.5 Ų104.546%0.45656%0.558SS.*Hα-helixtrans-61.3-42.4172.1171.1-95.8000112.8S6 D7 L15S6-F11 PolarHBondContact OG-N 3.09Å; D7-F11 PolarHBondContact O-N 3.49Å; F11-L15 HydrophobicContact CD1-CD1 4.15Å; F11-L15 HydrophobicContact CE1-CD1 3.56Å; F11-L15 HydrophobicContact CE2-CD1 4.06Å; F11-L15 HydrophobicContact CZ-CD1 3.52Å; F11-L15 WeakPolarHBondContact O-CG 3.16Å; F11-L15 PolarHBondContact O-N 2.96Å
12W77.2Confident64.2Low99 Ų9998.9 Ų98.938%0.37553%0.532SS..Hα-helixtrans-71.8-38.4177.2-73.3117.4000112.5A8 K9 L15 E16 V21 I24 F25A8-W12 PolarHBondContact O-N 3Å; A8-W12 VanDerWaalsContact O-N 3.09Å; K9-W12 PolarHBondContact O-N 3.27Å; W12-L15 HydrophobicContact CE3-CD1 4.15Å; W12-L15 HydrophobicContact CZ3-CD1 4.3Å; W12-L15 CarbonylContact O-C 3.56Å; W12-L15 PolarHBondContact O-N 2.99Å; W12-L15 VanDerWaalsContact O-N 3.09Å; W12-E16 WeakPolarHBondContact O-CB 3.43Å; W12-E16 PolarHBondContact O-N 2.75Å; W12-V21 HydrophobicContact CE3-CG1 4.44Å; W12-V21 HydrophobicContact CE3-CG2 4.19Å; W12-I24 HydrophobicContact CH2-CG2 4.29Å; W12-I24 HydrophobicContact CZ3-CD1 4.45Å; W12-I24 HydrophobicContact CZ3-CG2 4.4Å; W12-F25 HydrophobicContact CH2-CE2 4.02Å; W12-F25 HydrophobicContact CZ3-CE2 4.06Å
13M75.6Confident66.3Low88 Ų88100.9 Ų100.943%0.43352%0.52SS..Hα-helixtrans-64.7-41.7173.4-72.8170.755.200112.4K9 T10 L15 E16 D17K9-M13 HydrophobicContact CD-SD 4.47Å; K9-M13 HydrophobicContact CG-SD 4.02Å; K9-M13 WeakPolarHBondContact O-CG 3.07Å; K9-M13 PolarHBondContact O-N 2.82Å; T10-M13 PolarHBondContact O-N 3.25Å; M13-L15 PolarHBondContact O-N 2.87Å; M13-E16 PolarHBondContact O-N 2.91Å; M13-D17 PolarHBondContact O-N 3.41Å; M13-D17 VanDerWaalsContact O-N 3.1Å
14E73.9Confident68.3Low81 Ų8195.2 Ų95.238%0.37950%0.497SS..Hα-helixtrans-57.7-19.3171.7-81-179.1-114.700112.7K3 S6 T10K3-E14 IonicContact NZ-OE2 2.72Å; K3-E14 PolarHBondContact NZ-OE2 2.97Å; S6-E14 PolarHBondContact OG-OE1 2.82Å; S6-E14 VanDerWaalsContact OG-OE1 3.06Å; T10-E14 WeakPolarHBondContact O-CB 3.39Å; T10-E14 WeakPolarHBondContact O-CG 3.21Å; T10-E14 PolarHBondContact O-N 3.4Å
15L71.8Confident70.4Confident28 Ų2892 Ų9215%0.14748%0.483CS..Hα-helixtrans-100.6-18.2174.9-69.7170.4000113.7F11 W12 M13 G19 K20 V21 I24F11-L15 HydrophobicContact CD1-CD1 4.15Å; F11-L15 HydrophobicContact CE1-CD1 3.56Å; F11-L15 HydrophobicContact CE2-CD1 4.06Å; F11-L15 HydrophobicContact CZ-CD1 3.52Å; F11-L15 WeakPolarHBondContact O-CG 3.16Å; F11-L15 PolarHBondContact O-N 2.96Å; W12-L15 HydrophobicContact CE3-CD1 4.15Å; W12-L15 HydrophobicContact CZ3-CD1 4.3Å; W12-L15 CarbonylContact O-C 3.56Å; W12-L15 PolarHBondContact O-N 2.99Å; W12-L15 VanDerWaalsContact O-N 3.09Å; M13-L15 PolarHBondContact O-N 2.87Å; L15-G19 PolarHBondContact O-N 2.74Å; L15-K20 HydrophobicContact CB-CB 4.37Å; L15-K20 HydrophobicContact CD2-CB 3.98Å; L15-K20 HydrophobicContact CD2-CD 4.15Å; L15-K20 PolarHBondContact O-N 2.93Å; L15-V21 HydrophobicContact CB-CG2 3.98Å; L15-V21 PolarHBondContact O-N 3.32Å; L15-I24 HydrophobicContact CD1-CD1 3.95Å
16E72.1Confident72.5Confident132 Ų13290.6 Ų90.662%0.61747%0.466SS*.Hα-helixtrans-78.9-46.1179.2-167.9170.7-165.200110W12 M13 D18 G19 V21W12-E16 WeakPolarHBondContact O-CB 3.43Å; W12-E16 PolarHBondContact O-N 2.75Å; M13-E16 PolarHBondContact O-N 2.91Å; E16-D18 PolarHBondContact O-N 2.9Å; E16-D18 VanDerWaalsContact O-N 3.1Å; E16-G19 PolarHBondContact O-N 2.61Å; E16-V21 HydrophobicContact CB-CG2 3.93Å
17D63.1Low74Confident153 Ų15392.3 Ų92.382%0.81847%0.468SS*.THydrogen-bonded Turntrans-55.7-26.3168.8-67.7-29.4000112.5M13M13-D17 PolarHBondContact O-N 3.41Å; M13-D17 VanDerWaalsContact O-N 3.1Å
18D67.8Low74.7Confident87 Ų8790.5 Ų90.547%0.46546%0.461SS..THydrogen-bonded Turntrans-93.6-4.2-176.5-123.4-20000112.8E16 K20E16-D18 PolarHBondContact O-N 2.9Å; E16-D18 VanDerWaalsContact O-N 3.1Å; D18-K20 HydrophobicContact CB-CB 4.5Å; D18-K20 HydrophobicContact CB-CD 3.83Å; D18-K20 HydrophobicContact CB-CG 4.22Å; D18-K20 PolarHBondContact O-N 2.76Å; D18-K20 WeakPolarHBondContact OD1-CE 3.13Å; D18-K20 IonicContact OD1-NZ 2.84Å; D18-K20 PolarHBondContact OD1-NZ 3.02Å; D18-K20 WeakPolarHBondContact OD2-CE 3.33Å; D18-K20 IonicContact OD2-NZ 3.57Å; D18-K20 PolarHBondContact OD2-NZ 2.91Å
19G71Confident75.7Confident52 Ų5293 Ų9354%0.53646%0.463SS..THydrogen-bonded Turntrans66.412.6-175.800000115.3L15 E16L15-G19 PolarHBondContact O-N 2.74Å; E16-G19 PolarHBondContact O-N 2.61Å
20K76.3Confident76.4Confident88 Ų8889.2 Ų89.238%0.38345%0.449SS..Hα-helixtrans-91-14.3-169.9-72.9163.3-156.3166.10113.9L15 D18 I24L15-K20 HydrophobicContact CB-CB 4.37Å; L15-K20 HydrophobicContact CD2-CB 3.98Å; L15-K20 HydrophobicContact CD2-CD 4.15Å; L15-K20 PolarHBondContact O-N 2.93Å; D18-K20 HydrophobicContact CB-CB 4.5Å; D18-K20 HydrophobicContact CB-CD 3.83Å; D18-K20 HydrophobicContact CB-CG 4.22Å; D18-K20 PolarHBondContact O-N 2.76Å; D18-K20 WeakPolarHBondContact OD1-CE 3.13Å; D18-K20 IonicContact OD1-NZ 2.84Å; D18-K20 PolarHBondContact OD1-NZ 3.02Å; D18-K20 WeakPolarHBondContact OD2-CE 3.33Å; D18-K20 IonicContact OD2-NZ 3.57Å; D18-K20 PolarHBondContact OD2-NZ 2.91Å; K20-I24 HydrophobicContact CB-CD1 4.46Å; K20-I24 WeakPolarHBondContact O-CB 3.15Å; K20-I24 WeakPolarHBondContact O-CD1 3.31Å; K20-I24 WeakPolarHBondContact O-CG1 3.26Å; K20-I24 PolarHBondContact O-N 2.84Å
21V79.8Confident76.9Confident30 Ų3089 Ų8918%0.18245%0.447CS..Hα-helixtrans-60.1-56.1178.8-178.70000110.8W12 L15 E16 F23 I24 F25W12-V21 HydrophobicContact CE3-CG1 4.44Å; W12-V21 HydrophobicContact CE3-CG2 4.19Å; L15-V21 HydrophobicContact CB-CG2 3.98Å; L15-V21 PolarHBondContact O-N 3.32Å; E16-V21 HydrophobicContact CB-CG2 3.93Å; V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 PolarHBondContact O-N 2.75Å; V21-I24 PolarHBondContact O-N 3.19Å; V21-I24 VanDerWaalsContact O-N 3.1Å; V21-F25 HydrophobicContact CG1-CD2 3.94Å; V21-F25 HydrophobicContact CG1-CE2 4.08Å; V21-F25 WeakPolarHBondContact O-CD2 3.4Å; V21-F25 PolarHBondContact O-N 3.34Å
22D80.4Confident77.5Confident131 Ų13187.7 Ų87.770%0.70145%0.445SS*.Hα-helixtrans-59.2-44.5-179.1-65.6-42.9000111.6I24 F25 E26D22-I24 VanDerWaalsContact C-N 3.35Å; D22-I24 PolarHBondContact O-N 3.39Å; D22-F25 PolarHBondContact O-N 3.41Å; D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.95Å
23F79.1Confident78Confident118 Ų11887.9 Ų87.952%0.51845%0.45SS..Hα-helixtrans-57.9-43.6175.1177.8-102000112.5V21 E26 Q27V21-F23 VanDerWaalsContact C-N 3.33Å; V21-F23 PolarHBondContact O-N 2.75Å; F23-E26 PolarHBondContact O-N 2.93Å; F23-Q27 HydrophobicContact CD1-CG 4.34Å; F23-Q27 HydrophobicContact CD2-CG 4.47Å; F23-Q27 HydrophobicContact CE1-CG 3.92Å; F23-Q27 HydrophobicContact CE2-CG 4.08Å; F23-Q27 HydrophobicContact CZ-CG 3.78Å; F23-Q27 VanDerWaalsContact O-CG 3.31Å; F23-Q27 WeakPolarHBondContact O-CG 3.42Å; F23-Q27 PolarHBondContact O-N 3.11Å
24I78.5Confident78.7Confident57 Ų5786.2 Ų86.229%0.29245%0.447SS..Hα-helixtrans-63.6-44177.5-72.7163.9000110.9W12 L15 K20 V21 D22 Q27 V28W12-I24 HydrophobicContact CH2-CG2 4.29Å; W12-I24 HydrophobicContact CZ3-CD1 4.45Å; W12-I24 HydrophobicContact CZ3-CG2 4.4Å; L15-I24 HydrophobicContact CD1-CD1 3.95Å; K20-I24 HydrophobicContact CB-CD1 4.46Å; K20-I24 WeakPolarHBondContact O-CB 3.15Å; K20-I24 WeakPolarHBondContact O-CD1 3.31Å; K20-I24 WeakPolarHBondContact O-CG1 3.26Å; K20-I24 PolarHBondContact O-N 2.84Å; V21-I24 PolarHBondContact O-N 3.19Å; V21-I24 VanDerWaalsContact O-N 3.1Å; D22-I24 VanDerWaalsContact C-N 3.35Å; D22-I24 PolarHBondContact O-N 3.39Å; I24-Q27 PolarHBondContact O-N 3.35Å; I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.03Å
25F82.4Confident79.5Confident120 Ų12082.8 Ų82.853%0.52643%0.431SS..Hα-helixtrans-69.2-35.9177.9-84.2-86.1000112.5W12 V21 D22 V28 Q29W12-F25 HydrophobicContact CH2-CE2 4.02Å; W12-F25 HydrophobicContact CZ3-CE2 4.06Å; V21-F25 HydrophobicContact CG1-CD2 3.94Å; V21-F25 HydrophobicContact CG1-CE2 4.08Å; V21-F25 WeakPolarHBondContact O-CD2 3.4Å; V21-F25 PolarHBondContact O-N 3.34Å; D22-F25 PolarHBondContact O-N 3.41Å; F25-V28 PolarHBondContact O-N 2.79Å; F25-Q29 WeakPolarHBondContact O-CB 3.43Å; F25-Q29 PolarHBondContact O-N 3.23Å
26E85.3Confident80.4Confident102 Ų10288 Ų8848%0.47745%0.453SS..Hα-helixtrans-62.6-45171.8-168-165.6-168.800111.2D22 F23 V28 Q29 N30D22-E26 WeakPolarHBondContact O-CB 3.44Å; D22-E26 PolarHBondContact O-N 2.95Å; F23-E26 PolarHBondContact O-N 2.93Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 2.85Å; E26-Q29 CarbonylContact O-C 3.38Å; E26-Q29 PolarHBondContact O-N 2.73Å; E26-Q29 VanDerWaalsContact O-N 3.17Å; E26-N30 WeakPolarHBondContact O-CB 3.49Å; E26-N30 VanDerWaalsContact O-CG 3.25Å; E26-N30 PolarHBondContact O-N 2.69Å; E26-N30 PolarHBondContact O-ND2 2.86Å
27Q74.7Confident81.4Confident84 Ų8486.6 Ų86.639%0.39345%0.446SS..Hα-helixtrans-61.8-40174.8-68.4-48.6-60.600112.1F23 I24 N30 V31F23-Q27 HydrophobicContact CD1-CG 4.34Å; F23-Q27 HydrophobicContact CD2-CG 4.47Å; F23-Q27 HydrophobicContact CE1-CG 3.92Å; F23-Q27 HydrophobicContact CE2-CG 4.08Å; F23-Q27 HydrophobicContact CZ-CG 3.78Å; F23-Q27 VanDerWaalsContact O-CG 3.31Å; F23-Q27 WeakPolarHBondContact O-CG 3.42Å; F23-Q27 PolarHBondContact O-N 3.11Å; I24-Q27 PolarHBondContact O-N 3.35Å; Q27-N30 PolarHBondContact O-N 2.64Å; Q27-V31 WeakPolarHBondContact O-CG2 3.44Å; Q27-V31 PolarHBondContact O-N 2.77Å
28V78.5Confident82.8Confident72 Ų7282.4 Ų82.444%0.43642%0.421SS..Hα-helixtrans-64-41.9173.3170.90000111.2I24 F25 E26 V31 L32I24-V28 WeakPolarHBondContact O-CG2 3.41Å; I24-V28 PolarHBondContact O-N 3.03Å; F25-V28 PolarHBondContact O-N 2.79Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-V28 PolarHBondContact O-N 2.85Å; V28-V31 PolarHBondContact O-N 2.93Å; V28-L32 HydrophobicContact CG1-CD1 4.07Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 2.69Å
29Q83.3Confident84Confident113 Ų11381.2 Ų81.253%0.52841%0.414SS..Hα-helixtrans-65-39.1176.7-170.7175.3-6.800111.7F25 E26 L32 Q33F25-Q29 WeakPolarHBondContact O-CB 3.43Å; F25-Q29 PolarHBondContact O-N 3.23Å; E26-Q29 CarbonylContact O-C 3.38Å; E26-Q29 PolarHBondContact O-N 2.73Å; E26-Q29 VanDerWaalsContact O-N 3.17Å; Q29-L32 PolarHBondContact O-N 3.19Å; Q29-Q33 WeakPolarHBondContact O-CB 3.3Å; Q29-Q33 VanDerWaalsContact O-CG 3.31Å; Q29-Q33 WeakPolarHBondContact O-CG 3.47Å; Q29-Q33 PolarHBondContact O-N 2.86Å
30N85.1Confident84.9Confident65 Ų6586.5 Ų86.535%0.34842%0.422SS..Hα-helixtrans-66.3-39.5175.2-73.6-28.8000112E26 Q27 Q33 S34E26-N30 WeakPolarHBondContact O-CB 3.49Å; E26-N30 VanDerWaalsContact O-CG 3.25Å; E26-N30 PolarHBondContact O-N 2.69Å; E26-N30 PolarHBondContact O-ND2 2.86Å; Q27-N30 PolarHBondContact O-N 2.64Å; N30-Q33 PolarHBondContact O-N 3.37Å; N30-S34 WeakPolarHBondContact O-CB 3.41Å; N30-S34 PolarHBondContact O-N 3Å
31V84.1Confident85.6Confident64 Ų6486.3 Ų86.339%0.38843%0.425SS..Hα-helixtrans-62.9-45.2170.8169.40000111Q27 V28 Q33 S34 L35Q27-V31 WeakPolarHBondContact O-CG2 3.44Å; Q27-V31 PolarHBondContact O-N 2.77Å; V28-V31 PolarHBondContact O-N 2.93Å; V31-Q33 PolarHBondContact O-N 3.16Å; V31-S34 PolarHBondContact O-N 2.79Å; V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.35Å; V31-L35 WeakPolarHBondContact O-CB 3.33Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 3.19Å
32L86.8Confident85.9Confident77 Ų7787.2 Ų87.240%0.40344%0.44SS..Hα-helixtrans-62.5-40.3176.6-74.4167.7000112.4V28 Q29 K36 L55V28-L32 HydrophobicContact CG1-CD1 4.07Å; V28-L32 WeakPolarHBondContact O-CG 3.44Å; V28-L32 PolarHBondContact O-N 2.69Å; Q29-L32 PolarHBondContact O-N 3.19Å; L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 3.25Å; L32-L55 HydrophobicContact CD2-CB 4.1Å; L32-L55 HydrophobicContact CD2-CD1 3.82Å; L32-L55 HydrophobicContact CD2-CG 4.49Å
33Q87.9Confident86.4Confident103 Ų10384.4 Ų84.448%0.48143%0.431SS..Hα-helixtrans-65.7-44.8174.3-74-174.150.800111.8Q29 N30 V31 K36 Q37Q29-Q33 WeakPolarHBondContact O-CB 3.3Å; Q29-Q33 VanDerWaalsContact O-CG 3.31Å; Q29-Q33 WeakPolarHBondContact O-CG 3.47Å; Q29-Q33 PolarHBondContact O-N 2.86Å; N30-Q33 PolarHBondContact O-N 3.37Å; V31-Q33 PolarHBondContact O-N 3.16Å; Q33-K36 PolarHBondContact O-N 2.89Å; Q33-Q37 WeakPolarHBondContact O-CB 3.41Å; Q33-Q37 PolarHBondContact O-N 3.36Å
34S90.4Very high86.9Confident54 Ų5479.3 Ų79.338%0.37841%0.411SS..Hα-helixtrans-61.4-45.5177.3-171.20000111.8N30 V31 Q37 K38N30-S34 WeakPolarHBondContact O-CB 3.41Å; N30-S34 PolarHBondContact O-N 3Å; V31-S34 PolarHBondContact O-N 2.79Å; S34-Q37 PolarHBondContact O-N 2.88Å; S34-K38 WeakPolarHBondContact O-CB 3.25Å; S34-K38 VanDerWaalsContact O-CG 3.29Å; S34-K38 WeakPolarHBondContact O-CG 3.3Å; S34-K38 PolarHBondContact O-N 3.35Å
35L90.4Very high87.2Confident8 Ų880.2 Ų80.24%0.04242%0.419CS..Hα-helixtrans-61.9-47.3174.8-70172.2000111.5V31 Q37 K38 I39 E48 Q51 A52 L55V31-L35 HydrophobicContact CG1-CD1 3.88Å; V31-L35 HydrophobicContact CG1-CG 4.35Å; V31-L35 WeakPolarHBondContact O-CB 3.33Å; V31-L35 VanDerWaalsContact O-CG 3.25Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 3.19Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.87Å; L35-K38 PolarHBondContact O-N 3.41Å; L35-I39 WeakPolarHBondContact O-CB 3.48Å; L35-I39 WeakPolarHBondContact O-CD1 3.5Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 2.88Å; L35-E48 HydrophobicContact CD2-CB 3.55Å; L35-E48 HydrophobicContact CD2-CG 3.78Å; L35-Q51 HydrophobicContact CD1-CB 4.49Å; L35-Q51 HydrophobicContact CD1-CG 3.99Å; L35-A52 HydrophobicContact CB-CB 4.25Å; L35-A52 HydrophobicContact CD1-CB 4.35Å; L35-L55 HydrophobicContact CD1-CD1 3.88Å
36K91.5Very high86.5Confident138 Ų13880.8 Ų80.860%0.643%0.428SS*.Hα-helixtrans-58.6-39.6176.5175.6-176.6175.7-175.20112.3L32 Q33 K40L32-K36 WeakPolarHBondContact O-CB 3.49Å; L32-K36 PolarHBondContact O-N 3.25Å; Q33-K36 PolarHBondContact O-N 2.89Å; K36-K40 WeakPolarHBondContact O-CG 3.31Å; K36-K40 PolarHBondContact O-N 2.96Å
37Q93.5Very high85.7Confident103 Ų10381.2 Ų81.248%0.48143%0.428SS..Hα-helixtrans-69.7-53.8178.8-178.450.248.300110.9Q33 S34 L35 I39 K40 D41Q33-Q37 WeakPolarHBondContact O-CB 3.41Å; Q33-Q37 PolarHBondContact O-N 3.36Å; S34-Q37 PolarHBondContact O-N 2.88Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.87Å; Q37-I39 PolarHBondContact O-N 2.66Å; Q37-I39 VanDerWaalsContact O-N 3.14Å; Q37-K40 WeakPolarHBondContact O-CA 3.39Å; Q37-K40 WeakPolarHBondContact O-CB 3.22Å; Q37-K40 PolarHBondContact O-N 2.88Å; Q37-D41 PolarHBondContact NE2-OD2 2.79Å; Q37-D41 VanDerWaalsContact O-CG 3.24Å; Q37-D41 PolarHBondContact O-N 3.38Å; Q37-D41 VanDerWaalsContact O-OD2 3.06Å
38K92.2Very high86.2Confident65 Ų6578.8 Ų78.828%0.28342%0.417SS..Hα-helixtrans-57.2-30.7177.8-70.6173.4170174.10113.8S34 L35 D41 G42 S43 A44 E48S34-K38 WeakPolarHBondContact O-CB 3.25Å; S34-K38 VanDerWaalsContact O-CG 3.29Å; S34-K38 WeakPolarHBondContact O-CG 3.3Å; S34-K38 PolarHBondContact O-N 3.35Å; L35-K38 PolarHBondContact O-N 3.41Å; K38-D41 WeakPolarHBondContact CA-OD1 3.39Å; K38-G42 CarbonylContact O-C 3.45Å; K38-G42 PolarHBondContact O-N 2.96Å; K38-G42 VanDerWaalsContact O-N 3.15Å; K38-S43 PolarHBondContact O-N 3.2Å; K38-A44 HydrophobicContact CB-CB 3.8Å; K38-A44 WeakPolarHBondContact O-CB 3.45Å; K38-A44 PolarHBondContact O-N 3.02Å; K38-E48 VanDerWaalsContact CD-OE1 3.31Å; K38-E48 WeakPolarHBondContact CD-OE1 3.39Å; K38-E48 WeakPolarHBondContact CE-OE1 3.27Å; K38-E48 IonicContact NZ-OE1 3.83Å; K38-E48 PolarHBondContact NZ-OE1 2.99Å
39I92.9Very high86.1Confident61 Ų6180 Ų8031%0.31341%0.414SS..Hα-helixtrans-75.5-33.5174.4-72.6171.1000111.6L35 Q37 A44 Y49 A52L35-I39 WeakPolarHBondContact O-CB 3.48Å; L35-I39 WeakPolarHBondContact O-CD1 3.5Å; L35-I39 WeakPolarHBondContact O-CG1 3.43Å; L35-I39 PolarHBondContact O-N 2.88Å; Q37-I39 PolarHBondContact O-N 2.66Å; Q37-I39 VanDerWaalsContact O-N 3.14Å; I39-A44 HydrophobicContact CG1-CB 3.82Å; I39-Y49 HydrophobicContact CB-CE1 4.26Å; I39-Y49 HydrophobicContact CD1-CD1 4.12Å; I39-Y49 HydrophobicContact CD1-CE1 4.46Å; I39-Y49 HydrophobicContact CG1-CD1 3.84Å; I39-Y49 HydrophobicContact CG1-CE1 3.75Å; I39-Y49 HydrophobicContact CG2-CE1 3.98Å; I39-A52 HydrophobicContact CD1-CB 3.42Å; I39-A52 VanDerWaalsContact CD1-CB 3.42Å
40K90.8Very high85.4Confident164 Ų16475.7 Ų75.771%0.71339%0.394SS*.Hα-helixtrans-75.5-37.9177.1-85.8-170163.8-151.80113.9K36 Q37K36-K40 WeakPolarHBondContact O-CG 3.31Å; K36-K40 PolarHBondContact O-N 2.96Å; Q37-K40 WeakPolarHBondContact O-CA 3.39Å; Q37-K40 WeakPolarHBondContact O-CB 3.22Å; Q37-K40 PolarHBondContact O-N 2.88Å
41D90.3Very high85.1Confident83 Ų8375.5 Ų75.544%0.44439%0.392SS..SBendtrans-89.5-4.1177.459.545.3000113.5Q37 K38 S43Q37-D41 PolarHBondContact NE2-OD2 2.79Å; Q37-D41 VanDerWaalsContact O-CG 3.24Å; Q37-D41 PolarHBondContact O-N 3.38Å; Q37-D41 VanDerWaalsContact O-OD2 3.06Å; K38-D41 WeakPolarHBondContact CA-OD1 3.39Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 3.38Å; D41-S43 WeakPolarHBondContact OD1-CB 3.49Å; D41-S43 PolarHBondContact OD1-N 3.07Å; D41-S43 PolarHBondContact OD1-OG 3.05Å
42G85.1Confident85Confident49 Ų4973.1 Ų73.151%0.50538%0.379SS..SBendtrans79.90.8176.300000115K38 A44K38-G42 CarbonylContact O-C 3.45Å; K38-G42 PolarHBondContact O-N 2.96Å; K38-G42 VanDerWaalsContact O-N 3.15Å; G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 3.03Å
43S91.3Very high84.3Confident73 Ų7372.8 Ų72.851%0.5138%0.376SS..  trans-75.7-10.6179.367.10000114.8K38 D41 T45K38-S43 PolarHBondContact O-N 3.2Å; D41-S43 VanDerWaalsContact C-N 3.29Å; D41-S43 PolarHBondContact O-N 3.38Å; D41-S43 WeakPolarHBondContact OD1-CB 3.49Å; D41-S43 PolarHBondContact OD1-N 3.07Å; D41-S43 PolarHBondContact OD1-OG 3.05Å; S43-T45 PolarHBondContact O-N 3.29Å
44A90.2Very high83.5Confident11 Ų1169.2 Ų69.29%0.09136%0.36CS..  trans-59132.2-178.900000113K38 I39 G42 E48 Y49K38-A44 HydrophobicContact CB-CB 3.8Å; K38-A44 WeakPolarHBondContact O-CB 3.45Å; K38-A44 PolarHBondContact O-N 3.02Å; I39-A44 HydrophobicContact CG1-CB 3.82Å; G42-A44 VanDerWaalsContact C-N 3.29Å; G42-A44 PolarHBondContact O-N 3.03Å; A44-E48 HydrophobicContact CB-CB 4.24Å; A44-Y49 HydrophobicContact CB-CD2 3.83Å; A44-Y49 HydrophobicContact CB-CE2 3.57Å; A44-Y49 HydrophobicContact CB-CG 4.4Å; A44-Y49 WeakPolarHBondContact O-CE2 3.4Å
45T83.6Confident82.9Confident75 Ų7569.5 Ų69.546%0.4636%0.357SS..  trans-72.6159.2168.464.30000111.2S43 K47 E48 Y49S43-T45 PolarHBondContact O-N 3.29Å; T45-K47 PolarHBondContact O-N 3.45Å; T45-K47 VanDerWaalsContact O-N 3.09Å; T45-E48 WeakPolarHBondContact CB-OE2 3.42Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.19Å; T45-E48 PolarHBondContact N-OE2 3.01Å; T45-E48 WeakPolarHBondContact O-CA 3.47Å; T45-E48 WeakPolarHBondContact O-CB 3.49Å; T45-E48 PolarHBondContact O-N 2.91Å; T45-E48 PolarHBondContact OG1-N 3.37Å; T45-E48 PolarHBondContact OG1-OE2 2.69Å; T45-Y49 WeakPolarHBondContact O-CD2 3.21Å; T45-Y49 PolarHBondContact O-N 3.14Å
46N69.3Low82.2Confident132 Ų13273.3 Ų73.371%0.70638%0.38SS*.Hα-helixtrans-52.9-33.2173.4-76.9-13.5000112.9I50N46-I50 WeakPolarHBondContact O-CB 3.38Å; N46-I50 VanDerWaalsContact O-CD1 3.29Å; N46-I50 WeakPolarHBondContact O-CD1 3.42Å; N46-I50 WeakPolarHBondContact O-CG1 3.42Å; N46-I50 PolarHBondContact O-N 2.96Å
47K68.9Low80.7Confident111 Ų11170.8 Ų70.848%0.48337%0.373SS..Hα-helixtrans-64.1-41.3175.4-174.2-174.8174.6-169.40111.6T45 I50 Q51 F285T45-K47 PolarHBondContact O-N 3.45Å; T45-K47 VanDerWaalsContact O-N 3.09Å; K47-I50 PolarHBondContact O-N 2.67Å; K47-Q51 VanDerWaalsContact O-CB 3.31Å; K47-Q51 WeakPolarHBondContact O-CB 3.42Å; K47-Q51 PolarHBondContact O-N 3.49Å; K47-F285 HydrophobicContact CG-CD1 4.44Å
48E84.3Confident79.3Confident34 Ų3469.4 Ų69.416%0.15937%0.366CS..Hα-helixtrans-73.1-39.2180-71.9161.112900111.9L35 K38 A44 T45 I50 Q51 A52L35-E48 HydrophobicContact CD2-CB 3.55Å; L35-E48 HydrophobicContact CD2-CG 3.78Å; K38-E48 VanDerWaalsContact CD-OE1 3.31Å; K38-E48 WeakPolarHBondContact CD-OE1 3.39Å; K38-E48 WeakPolarHBondContact CE-OE1 3.27Å; K38-E48 IonicContact NZ-OE1 3.83Å; K38-E48 PolarHBondContact NZ-OE1 2.99Å; A44-E48 HydrophobicContact CB-CB 4.24Å; T45-E48 WeakPolarHBondContact CB-OE2 3.42Å; T45-E48 WeakPolarHBondContact CG2-OE2 3.19Å; T45-E48 PolarHBondContact N-OE2 3.01Å; T45-E48 WeakPolarHBondContact O-CA 3.47Å; T45-E48 WeakPolarHBondContact O-CB 3.49Å; T45-E48 PolarHBondContact O-N 2.91Å; T45-E48 PolarHBondContact OG1-N 3.37Å; T45-E48 PolarHBondContact OG1-OE2 2.69Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.81Å; E48-Q51 PolarHBondContact O-N 2.84Å; E48-A52 WeakPolarHBondContact O-CB 3.46Å; E48-A52 PolarHBondContact O-N 2.84Å
49Y76.5Confident78Confident97 Ų9768.7 Ų68.738%0.3837%0.373SS..Hα-helixtrans-56.8-46168.7-80.9-73.8000112I39 A44 T45 M53I39-Y49 HydrophobicContact CB-CE1 4.26Å; I39-Y49 HydrophobicContact CD1-CD1 4.12Å; I39-Y49 HydrophobicContact CD1-CE1 4.46Å; I39-Y49 HydrophobicContact CG1-CD1 3.84Å; I39-Y49 HydrophobicContact CG1-CE1 3.75Å; I39-Y49 HydrophobicContact CG2-CE1 3.98Å; A44-Y49 HydrophobicContact CB-CD2 3.83Å; A44-Y49 HydrophobicContact CB-CE2 3.57Å; A44-Y49 HydrophobicContact CB-CG 4.4Å; A44-Y49 WeakPolarHBondContact O-CE2 3.4Å; T45-Y49 WeakPolarHBondContact O-CD2 3.21Å; T45-Y49 PolarHBondContact O-N 3.14Å; Y49-M53 VanDerWaalsContact O-CB 3.31Å; Y49-M53 WeakPolarHBondContact O-CB 3.3Å; Y49-M53 PolarHBondContact O-N 3.4Å
50I69.1Low75.8Confident22 Ų2269.5 Ų69.511%0.11338%0.381CS..Hα-helixtrans-65.1-44.1177.3-68162.2000111N46 K47 E48 M53 I54 M288 L348N46-I50 WeakPolarHBondContact O-CB 3.38Å; N46-I50 VanDerWaalsContact O-CD1 3.29Å; N46-I50 WeakPolarHBondContact O-CD1 3.42Å; N46-I50 WeakPolarHBondContact O-CG1 3.42Å; N46-I50 PolarHBondContact O-N 2.96Å; K47-I50 PolarHBondContact O-N 2.67Å; E48-I50 VanDerWaalsContact C-N 3.34Å; E48-I50 PolarHBondContact O-N 2.81Å; I50-M53 PolarHBondContact O-N 3.35Å; I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 WeakPolarHBondContact O-CG1 3.49Å; I50-I54 PolarHBondContact O-N 3.09Å; I50-M288 HydrophobicContact CG2-CE 3.87Å; I50-M288 HydrophobicContact CG2-SD 4.18Å; I50-L348 HydrophobicContact CD1-CD2 3.82Å; I50-L348 HydrophobicContact CG1-CD2 4.2Å
51Q77.8Confident73.7Confident62 Ų6266.6 Ų66.629%0.2937%0.372SS..Hα-helixtrans-61.6-45.8178.9-176.6175.8-14.700111.6L35 K47 E48 I54 L55L35-Q51 HydrophobicContact CD1-CB 4.49Å; L35-Q51 HydrophobicContact CD1-CG 3.99Å; K47-Q51 VanDerWaalsContact O-CB 3.31Å; K47-Q51 WeakPolarHBondContact O-CB 3.42Å; K47-Q51 PolarHBondContact O-N 3.49Å; E48-Q51 PolarHBondContact O-N 2.84Å; Q51-I54 PolarHBondContact O-N 2.65Å; Q51-L55 HydrophobicContact CG-CD1 4.23Å; Q51-L55 WeakPolarHBondContact O-CG 3.48Å; Q51-L55 PolarHBondContact O-N 3.19Å; Q51-L55 VanDerWaalsContact O-N 3.11Å
52A82.9Confident71.4Confident14 Ų1467.9 Ų67.912%0.11638%0.377CS..Hα-helixtrans-62.4-43.3174.400000111.9L35 I39 E48 I54 L55 V56L35-A52 HydrophobicContact CB-CB 4.25Å; L35-A52 HydrophobicContact CD1-CB 4.35Å; I39-A52 HydrophobicContact CD1-CB 3.42Å; I39-A52 VanDerWaalsContact CD1-CB 3.42Å; E48-A52 WeakPolarHBondContact O-CB 3.46Å; E48-A52 PolarHBondContact O-N 2.84Å; A52-I54 PolarHBondContact O-N 3.16Å; A52-L55 PolarHBondContact O-N 2.71Å; A52-V56 WeakPolarHBondContact O-CB 3.44Å; A52-V56 WeakPolarHBondContact O-CG2 3.21Å; A52-V56 PolarHBondContact O-N 2.89Å
53M71.6Confident69Low69 Ų6971.6 Ų71.634%0.3439%0.386SS..Hα-helixtrans-61.8-39.6177.2179.8174.156.900112.2Y49 I50 N57 L347Y49-M53 VanDerWaalsContact O-CB 3.31Å; Y49-M53 WeakPolarHBondContact O-CB 3.3Å; Y49-M53 PolarHBondContact O-N 3.4Å; I50-M53 PolarHBondContact O-N 3.35Å; M53-N57 WeakPolarHBondContact CG-ND2 3.08Å; M53-N57 WeakPolarHBondContact O-CB 3.27Å; M53-N57 PolarHBondContact O-N 3.21Å; M53-N57 VanDerWaalsContact O-N 3.08Å; M53-N57 PolarHBondContact O-ND2 2.78Å; M53-L347 HydrophobicContact CE-CB 4.33Å; M53-L347 HydrophobicContact CE-CD1 4.02Å
54I70.2Confident66.4Low29 Ų2973 Ų7315%0.14940%0.395CS..Hα-helixtrans-62.7-51.4174.9-69.6165.6000110.1I50 Q51 A52 V56 N57 E58 Y280I50-I54 HydrophobicContact CG2-CD1 3.92Å; I50-I54 WeakPolarHBondContact O-CG1 3.49Å; I50-I54 PolarHBondContact O-N 3.09Å; Q51-I54 PolarHBondContact O-N 2.65Å; A52-I54 PolarHBondContact O-N 3.16Å; I54-V56 VanDerWaalsContact C-N 3.34Å; I54-V56 PolarHBondContact O-N 3.3Å; I54-N57 PolarHBondContact O-N 3.17Å; I54-N57 VanDerWaalsContact O-N 3.14Å; I54-E58 PolarHBondContact O-N 3.27Å; I54-Y280 HydrophobicContact CD1-CD2 4.08Å; I54-Y280 HydrophobicContact CD1-CE2 4.09Å; I54-Y280 HydrophobicContact CG1-CE2 4.37Å; I54-Y280 HydrophobicContact CG2-CE2 3.79Å
55L79Confident63.9Low60 Ų6076.8 Ų76.831%0.31442%0.421SS..Hα-helixtrans-59.5-41.3-178.9-68.5166.3000112.6L32 L35 Q51 A52 E58 A59L32-L55 HydrophobicContact CD2-CB 4.1Å; L32-L55 HydrophobicContact CD2-CD1 3.82Å; L32-L55 HydrophobicContact CD2-CG 4.49Å; L35-L55 HydrophobicContact CD1-CD1 3.88Å; Q51-L55 HydrophobicContact CG-CD1 4.23Å; Q51-L55 WeakPolarHBondContact O-CG 3.48Å; Q51-L55 PolarHBondContact O-N 3.19Å; Q51-L55 VanDerWaalsContact O-N 3.11Å; A52-L55 PolarHBondContact O-N 2.71Å; L55-E58 PolarHBondContact O-N 2.8Å; L55-A59 WeakPolarHBondContact O-CB 3.18Å; L55-A59 PolarHBondContact O-N 3.5Å
56V74.8Confident61.4Low87 Ų8778.4 Ų78.453%0.52743%0.432SS..Hα-helixtrans-66.4-40176.1170.30000111.9A52 I54 T60A52-V56 WeakPolarHBondContact O-CB 3.44Å; A52-V56 WeakPolarHBondContact O-CG2 3.21Å; A52-V56 PolarHBondContact O-N 2.89Å; I54-V56 VanDerWaalsContact C-N 3.34Å; I54-V56 PolarHBondContact O-N 3.3Å; V56-T60 HydrophobicContact CG1-CG2 4.4Å; V56-T60 WeakPolarHBondContact O-CB 3.33Å; V56-T60 WeakPolarHBondContact O-CG2 3.3Å; V56-T60 PolarHBondContact O-N 2.64Å; V56-T60 PolarHBondContact O-OG1 3.47Å
57N59.6Low59.3Low85 Ų8577.7 Ų77.746%0.45544%0.437SS..Hα-helixtrans-66.5-39.7176.2-81.4-68.7000112M53 I54 T60 I61M53-N57 WeakPolarHBondContact CG-ND2 3.08Å; M53-N57 WeakPolarHBondContact O-CB 3.27Å; M53-N57 PolarHBondContact O-N 3.21Å; M53-N57 VanDerWaalsContact O-N 3.08Å; M53-N57 PolarHBondContact O-ND2 2.78Å; I54-N57 PolarHBondContact O-N 3.17Å; I54-N57 VanDerWaalsContact O-N 3.14Å; N57-T60 WeakPolarHBondContact CA-OG1 3.4Å; N57-T60 PolarHBondContact O-OG1 3.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.49Å; N57-I61 VanDerWaalsContact O-CG1 3.24Å; N57-I61 WeakPolarHBondContact O-CG1 3.09Å; N57-I61 PolarHBondContact O-N 2.82Å
58E65.4Low57.4Low74 Ų7479.5 Ų79.535%0.34645%0.45SS..Hα-helixtrans-70.4-38.2178.2-67.4-171160.100111.9I54 L55 Y280I54-E58 PolarHBondContact O-N 3.27Å; L55-E58 PolarHBondContact O-N 2.8Å; E58-Y280 PolarHBondContact OE1-OH 3.15Å
59A64.1Low54.7Low50 Ų5087.6 Ų87.641%0.41349%0.485SS..Hα-helixtrans-68.3-40.7175.100000113.6L55 I61 I62 N63L55-A59 WeakPolarHBondContact O-CB 3.18Å; L55-A59 PolarHBondContact O-N 3.5Å; A59-I61 PolarHBondContact O-N 3.03Å; A59-I62 PolarHBondContact O-N 3.44Å; A59-N63 PolarHBondContact O-N 2.7Å
60T47.5Very low52.1Low78 Ų7886.8 Ų86.848%0.47951%0.506SS..Hα-helixtrans-69.6-31.1-179.345.60000113.1V56 N57 I62 N63 S64V56-T60 HydrophobicContact CG1-CG2 4.4Å; V56-T60 WeakPolarHBondContact O-CB 3.33Å; V56-T60 WeakPolarHBondContact O-CG2 3.3Å; V56-T60 PolarHBondContact O-N 2.64Å; V56-T60 PolarHBondContact O-OG1 3.47Å; N57-T60 WeakPolarHBondContact CA-OG1 3.4Å; N57-T60 PolarHBondContact O-OG1 3.3Å; T60-I62 VanDerWaalsContact C-N 3.26Å; T60-I62 PolarHBondContact O-N 2.74Å; T60-N63 PolarHBondContact O-N 2.94Å; T60-S64 PolarHBondContact O-N 2.88Å
61I46.1Very low50Low103 Ų10390.9 Ų90.953%0.52854%0.543SS..Hα-helixtrans-60.2-37.1171.8-72.6166.5000111.2N57 A59 S64N57-I61 WeakPolarHBondContact O-CD1 3.49Å; N57-I61 VanDerWaalsContact O-CG1 3.24Å; N57-I61 WeakPolarHBondContact O-CG1 3.09Å; N57-I61 PolarHBondContact O-N 2.82Å; A59-I61 PolarHBondContact O-N 3.03Å; I61-S64 PolarHBondContact O-OG 2.85Å
62I43Very low47.5Very low110 Ų11093 Ų9356%0.56457%0.565SS**Hα-helixtrans-68.9-52.3178.2-62.4167.9000110.4A59 T60 S64 S65A59-I62 PolarHBondContact O-N 3.44Å; T60-I62 VanDerWaalsContact C-N 3.26Å; T60-I62 PolarHBondContact O-N 2.74Å; I62-S64 PolarHBondContact O-N 2.79Å; I62-S64 VanDerWaalsContact O-N 3.13Å; I62-S65 WeakPolarHBondContact O-CB 3.36Å; I62-S65 PolarHBondContact O-N 2.85Å; I62-S65 PolarHBondContact O-OG 3Å
63N34.3Very low44.8Very low127 Ų127100.2 Ų100.268%0.67960%0.596SS**Hα-helixtrans-63.8-22.1-176.1-71.70.9000113.8A59 T60 S65A59-N63 PolarHBondContact O-N 2.7Å; T60-N63 PolarHBondContact O-N 2.94Å; N63-S65 PolarHBondContact O-N 2.91Å
64S35.8Very low42.5Very low102 Ų102104.2 Ų104.271%0.71361%0.612SS**THydrogen-bonded Turntrans-72.3-4.617467.80000115.1T60 I61 I62T60-S64 PolarHBondContact O-N 2.88Å; I61-S64 PolarHBondContact O-OG 2.85Å; I62-S64 PolarHBondContact O-N 2.79Å; I62-S64 VanDerWaalsContact O-N 3.13Å
65S37.6Very low40.3Very low91 Ų91109.3 Ų109.364%0.63664%0.635SS**THydrogen-bonded Turntrans-103-4.9-175.268.60000115.8I62 N63I62-S65 WeakPolarHBondContact O-CB 3.36Å; I62-S65 PolarHBondContact O-N 2.85Å; I62-S65 PolarHBondContact O-OG 3Å; N63-S65 PolarHBondContact O-N 2.91Å
66T31.4Very low37.7Very low110 Ų110111.7 Ų111.768%0.67565%0.652SS**  trans-13993.2-175.442.80000113.2
67S25.8Very low35.2Very low116 Ų116115 Ų11581%0.81167%0.666SS**  169108.7125.4-174.20000111.9
68I28.4Very low33.6Very low150 Ų150114.6 Ų114.677%0.76968%0.675SS**  trans-144.7129.2159.7-72.9-171000107.8
69K27.3Very low31.6Very low204 Ų204119.8 Ų119.889%0.88770%0.699SS**  trans64.8132.3-178.2-60.5159.5-178179.80114.4
70G22.7Very low29.8Very low80 Ų80122.2 Ų122.283%0.82571%0.713SS**  cis162.4137.3-5.100000111.1
71A24.3Very low28.8Very low107 Ų107123.7 Ų123.788%0.88473%0.726SS**  trans-153158.917000000108.7
72S25.1Very low27.7Very low107 Ų107125.3 Ų125.375%0.74874%0.736SS**  trans-149.7159-171.557.10000111.9
73Q27.1Very low27.1Very low165 Ų165125.8 Ų125.877%0.77175%0.747SS**  trans87.3128.6171.7-54.5-175.6-4.700117.6
74K24.1Very low26.5Very low154 Ų154127.1 Ų127.167%0.6775%0.751SS**  trans67.4150142.5-67.5170.3161-870118.2
75E24Very low26.9Very low136 Ų136127.2 Ų127.264%0.63675%0.749SS**  cis-159.5139.7-8.5-120.4159.4178.400112.9
76V24.3Very low26.3Very low110 Ų110129.8 Ų129.867%0.66776%0.76SS**  trans66.7130.9134.1165.70000122.9
77N22.6Very low25.9Very low155 Ų155130.3 Ų130.383%0.82976%0.763SS**  trans62159.2162-66.9-8.4000117.1
78A24.3Very low26.1Very low78 Ų78134 Ų13465%0.64577%0.768SS**  cis-164.2-176-2900000106.5
79Q25.1Very low25.8Very low183 Ų183135.1 Ų135.186%0.85577%0.767SS**  cis-156-143.36.6-151.8160.1-55.900110.9
80S26.3Very low25.8Very low100 Ų100133.2 Ų133.270%0.69976%0.762SS**  trans-65.8164.9173.254.10000114.9
81S24.8Very low26Very low109 Ų109135.9 Ų135.976%0.76275%0.752SS**  cis-159.4148.62654.10000114.9
82D23.2Very low26.1Very low137 Ų137137 Ų13773%0.73374%0.739SS**  trans-69.5165.1155.2-124.1-40.7000110.5
83P31Very low26.3Very low121 Ų121136.7 Ų136.779%0.78673%0.729SS**  -151.1160.661.242.4-22000120
84M22.3Very low26.3Very low155 Ų155136.7 Ų136.776%0.76473%0.727SS**  trans-60.3-174.4151.8-71.6-80.1103.300113.4
85P43.4Very low26.5Very low104 Ų104133.9 Ų133.968%0.67573%0.726SS**  cis-132.6-171.1-3.639.1-20.6000114.4
86V24.6Very low26.6Very low144 Ų144135.8 Ų135.887%0.87374%0.741SS**  -158.8145120.1141.40000109.6
87T24Very low26.7Very low121 Ų121134.3 Ų134.374%0.74274%0.74SS**  trans-109.7155.3-17351.90000113.3
88Q28.7Very low26.9Very low193 Ų193137.2 Ų137.290%0.90275%0.746SS**  trans-155.3151.6132.1-113.5162.313.800112.8
89K23.6Very low27.1Very low175 Ų175139.2 Ų139.276%0.76175%0.752SS**  trans-99.6178172.5-64.4179.2177.6-179.90108.1
90E27.1Very low27.2Very low164 Ų164135.8 Ų135.877%0.76675%0.749SS**  cis-157.8143.147.1-82.3-173.6151.100109.7
91Q26.2Very low27.2Very low136 Ų136136.4 Ų136.464%0.63675%0.749SS**  54.9138.198.3-69.1169.9-114.300114.6
92E27.4Very low27.3Very low130 Ų130136.4 Ų136.461%0.60775%0.749SS**  cis-162.6156.513.9-134.6176.9-121.100114.1
93N27.6Very low27.4Very low100 Ų100135.7 Ų135.754%0.53575%0.753SS.*  trans57.4156.6147.8-68.2-22.4000120.8
94K28.1Very low27.1Very low165 Ų165138.8 Ų138.872%0.71776%0.757SS**  cis-168.3158.6-14.6-105.7163.1-175.3140.80106.5
95S28.1Very low27.3Very low95 Ų95139 Ų13966%0.66476%0.761SS**  cis179138.9-26.650.20000108.4
96N27.1Very low26.4Very low177 Ų177139.6 Ų139.695%0.94777%0.768SS**  trans-155153.4158.9-98.7-28.4000110.7
97A25.2Very low26.6Very low79 Ų79141.7 Ų141.765%0.65377%0.766SS**  trans-112.1145.8-156.300000115.4
98F27.8Very low26.7Very low215 Ų215142 Ų14294%0.94377%0.769SS**  trans-163.5105.5139.7-92.5-62.1000109.1
99P28.4Very low26.5Very low120 Ų120141.7 Ų141.778%0.77977%0.768SS**  trans-92.8141.6-179.634.4-32.4000113
100S27.6Very low26.5Very low111 Ų111140.9 Ų140.978%0.77677%0.772SS**  trans-84.2135.5165.353.60000111.8
101T25.5Very low26.3Very low114 Ų114138.7 Ų138.770%0.69977%0.773SS**  trans-148.7141.4156.9360000107.2
102S27.3Very low26.2Very low109 Ų109138.5 Ų138.576%0.76278%0.782SS**  cis59.577.422.283.30000114.4
103C24.7Very low25.9Very low122 Ų122141.8 Ų141.882%0.82479%0.794SS**  trans-104.3135.3163.8-72.70000110.2
104E24.9Very low25.7Very low186 Ų186145.3 Ų145.387%0.86981%0.812SS**PPolyproline II helixtrans-88.7167.5175.6-63.8167.9120.300110.6S106E104-S106 PolarHBondContact O-N 2.76Å
105N25.9Very low25.5Very low158 Ų158143.3 Ų143.385%0.84581%0.814SS**PPolyproline II helixtrans-81.1117.3175-61.2-64.8000110
106S24.7Very low25.3Very low117 Ų117145.4 Ų145.482%0.81882%0.823SS**PPolyproline II helixtrans-96.5127.6167.145.60000111.1E104E104-S106 PolarHBondContact O-N 2.76Å
107F28.2Very low25.1Very low189 Ų189145.2 Ų145.283%0.82982%0.816SS**PPolyproline II helixtrans-95.3142.1164.4-67.9-92.6000109
108P26.4Very low25.2Very low127 Ų127148.2 Ų148.283%0.82582%0.821SS**PPolyproline II helixtrans-90.9116160.132.5-26.5000109.9
109E25.9Very low25.2Very low187 Ų187145.9 Ų145.987%0.87481%0.811SS**PPolyproline II helixtrans-90.6127.7155.7-68.7-174125.300108.2
110D23.1Very low25Very low158 Ų158148.2 Ų148.285%0.84581%0.812SS**  trans-172.2112142.8-116-25.8000111.5
111C22.5Very low24.9Very low117 Ų117150.2 Ų150.279%0.79181%0.812SS**  trans162.6104.6132.9-85.40000112.7
112T23.6Very low24.8Very low132 Ų132152.6 Ų152.681%0.8182%0.819SS**  trans36.7109.8144.543.90000120.3
113F22.2Very low24.7Very low199 Ų199151.9 Ų151.987%0.87382%0.815SS**  trans-60.5141.1152.4-68.7-97.6000111.5
114L22.1Very low24.7Very low175 Ų175152.6 Ų152.692%0.91681%0.809SS**  trans-124.2115.5152.4-84.7174.8000109
115T23.8Very low24.7Very low123 Ų123151.7 Ų151.776%0.75581%0.805SS**  trans-91129.8176.348.70000110.6
116T23.6Very low25.2Very low139 Ų139151.5 Ų151.585%0.85380%0.804SS**  trans-147.6120151.5-44.10000109.3
117E24.4Very low25.3Very low172 Ų172155 Ų15580%0.80481%0.805SS**  trans-74.1147167.6-56.5174.511900109.5
118N26.2Very low25.7Very low142 Ų142152.9 Ų152.976%0.75981%0.807SS**  -171.4173120.3-107.9-72.9000113.6
119K27.9Very low25.8Very low167 Ų167151.4 Ų151.473%0.72680%0.795SS**  trans-50.9167.7175.3-60.6161.5178.2-179.90112.9
120E24Very low26.1Very low169 Ų169147.6 Ų147.679%0.7978%0.781SS**  cis-157.2-175.532.8-151.6138.9-113.900114.3
121I27.2Very low26.3Very low152 Ų152148.4 Ų148.478%0.77978%0.777SS**  trans-95.4136-175-61.8159.6000110.2
122L22.6Very low26.9Very low164 Ų164152.3 Ų152.386%0.85978%0.775SS**  trans-175.7157.9131.4-101.7165.3000113.5
123S24.4Very low27.5Very low95 Ų95154.7 Ų154.766%0.66478%0.777SS**  trans-83.3160.8171.252.20000112.2
124L25.8Very low28.1Very low136 Ų136154.6 Ų154.671%0.71278%0.777SS**  174.9145.6107.9-162.961.3000113.5
125E25.3Very low28.9Very low168 Ų168153.5 Ų153.579%0.78577%0.771SS**  trans63150.1153.5-86.7154.7-151.500124.3
126D36Very low29.7Very low153 Ų153152.5 Ų152.582%0.81877%0.77SS**  trans-66.4137.9176.4-71.9-72.4000113.4
127K27.3Very low30.9Very low191 Ų191150.7 Ų150.783%0.8376%0.762SS**  trans-131.4111.1149.5-72.2-168.5177177.20110.6V129K127-V129 PolarHBondContact O-N 2.8Å
128V36.4Very low32.2Very low145 Ų145146.5 Ų146.588%0.87975%0.752SS**  trans-61.1114.2166.5177.40000108.2
129V27.9Very low33.6Very low95 Ų95147.5 Ų147.558%0.57676%0.758SS**  trans-109.3114.8170.6-179.70000107.9K127 F131K127-V129 PolarHBondContact O-N 2.8Å; V129-F131 HydrophobicContact CB-CD2 4.07Å; V129-F131 HydrophobicContact CB-CE2 4.1Å; V129-F131 HydrophobicContact CG1-CD2 3.64Å; V129-F131 HydrophobicContact CG1-CE2 3.58Å; V129-F131 HydrophobicContact CG1-CG 4.34Å; V129-F131 HydrophobicContact CG1-CZ 4.24Å; V129-F131 PolarHBondContact O-N 3.35Å
130D31.1Very low35.4Very low107 Ų107147.3 Ų147.357%0.57276%0.764SS**  trans-68.275.7172.9-178.921.8000109.8R132D130-R132 PolarHBondContact O-N 3.1Å; D130-R132 WeakPolarHBondContact OD1-CG 3.32Å; D130-R132 IonicContact OD1-NE 3.75Å; D130-R132 IonicContact OD2-CZ 3.62Å; D130-R132 VanDerWaalsContact OD2-CZ 3.31Å; D130-R132 IonicContact OD2-NE 2.87Å; D130-R132 PolarHBondContact OD2-NE 3.45Å; D130-R132 IonicContact OD2-NH2 2.94Å; D130-R132 PolarHBondContact OD2-NH2 3.5Å
131F28.8Very low37.6Very low175 Ų175143.2 Ų143.277%0.76875%0.754SS**  trans-69.781166.6-86.3-74.6000109.1V129 E133V129-F131 HydrophobicContact CB-CD2 4.07Å; V129-F131 HydrophobicContact CB-CE2 4.1Å; V129-F131 HydrophobicContact CG1-CD2 3.64Å; V129-F131 HydrophobicContact CG1-CE2 3.58Å; V129-F131 HydrophobicContact CG1-CG 4.34Å; V129-F131 HydrophobicContact CG1-CZ 4.24Å; V129-F131 PolarHBondContact O-N 3.35Å; F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 3.34Å
132R34.4Very low40Very low199 Ų199143.8 Ų143.875%0.75175%0.747SS**  trans-62.396.3159-60-173.7-169.3-150.7-4.1107.5D130 K134D130-R132 PolarHBondContact O-N 3.1Å; D130-R132 WeakPolarHBondContact OD1-CG 3.32Å; D130-R132 IonicContact OD1-NE 3.75Å; D130-R132 IonicContact OD2-CZ 3.62Å; D130-R132 VanDerWaalsContact OD2-CZ 3.31Å; D130-R132 IonicContact OD2-NE 2.87Å; D130-R132 PolarHBondContact OD2-NE 3.45Å; D130-R132 IonicContact OD2-NH2 2.94Å; D130-R132 PolarHBondContact OD2-NH2 3.5Å; R132-K134 PolarHBondContact O-N 3.33Å
133E35.9Very low42.8Very low183 Ų183142.8 Ų142.886%0.85574%0.738SS**  trans-53.4117.1167.1-71.5-165.1124.600107.6F131 D135F131-E133 VanDerWaalsContact C-N 3.28Å; F131-E133 PolarHBondContact O-N 3.34Å; E133-D135 VanDerWaalsContact C-N 3.3Å; E133-D135 PolarHBondContact O-N 2.78Å
134K34.2Very low45.7Very low197 Ų197143.9 Ų143.986%0.85775%0.746SS**  trans-80.188.1-173.3-169.9176.3-174177.60106.8R132 S136R132-K134 PolarHBondContact O-N 3.33Å; K134-S136 PolarHBondContact O-N 3.28Å
135D40.6Very low48.8Very low151 Ų151141.3 Ų141.381%0.80773%0.73SS**  trans-52.981.9-176.4-115.9-26.2000111.7E133 S137E133-D135 VanDerWaalsContact C-N 3.3Å; E133-D135 PolarHBondContact O-N 2.78Å; D135-S137 PolarHBondContact O-N 3.04Å
136S40.3Very low52Low103 Ų103140.6 Ų140.672%0.7273%0.732SS**  trans-77.181.1167.553.20000106.7K134 S138K134-S136 PolarHBondContact O-N 3.28Å; S136-S138 PolarHBondContact O-N 3.08Å
137S49.1Very low54.7Low100 Ų100134.2 Ų134.270%0.69970%0.699SS**  trans-64.765.817246.60000110.8D135 N139D135-S137 PolarHBondContact O-N 3.04Å; S137-N139 PolarHBondContact O-N 3.39Å
138S51.6Low57.9Low85 Ų85127.7 Ų127.759%0.59468%0.677SS**  trans-55.2122.3168.950.30000107.7S136 L140S136-S138 PolarHBondContact O-N 3.08Å; S138-L140 VanDerWaalsContact C-N 3.26Å; S138-L140 PolarHBondContact O-N 3.18Å
139N54.4Low60.5Low163 Ų163122.9 Ų122.987%0.87266%0.658SS**  trans-70.485.7-177-76.4-65.3000109.3S137 S141S137-N139 PolarHBondContact O-N 3.39Å; N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact O-N 3.1Å
140L65.9Low63.5Low162 Ų162122.9 Ų122.985%0.84867%0.667SS**  trans-64.286.9176.8-70.8173.2000109.8S138 Y142S138-L140 VanDerWaalsContact C-N 3.26Å; S138-L140 PolarHBondContact O-N 3.18Å; L140-Y142 PolarHBondContact O-N 3.17Å; L140-Y142 VanDerWaalsContact O-N 3.15Å
141S70.8Confident66.4Low84 Ų84118.2 Ų118.259%0.58764%0.643SS**  trans-60.3115175.762.40000109.5N139 Q143N139-S141 VanDerWaalsContact C-N 3.28Å; N139-S141 PolarHBondContact O-N 3.1Å; S141-Q143 PolarHBondContact O-N 3.06Å; S141-Q143 VanDerWaalsContact O-N 3.14Å
142Y76.5Confident69.4Low163 Ų163111.2 Ų111.264%0.63961%0.613SS**  trans-69.8110.9175.9-175.6-91.2000109.8L140L140-Y142 PolarHBondContact O-N 3.17Å; L140-Y142 VanDerWaalsContact O-N 3.15Å
143Q81.3Confident71.7Confident143 Ų143106 Ų10667%0.66860%0.598SS**  trans-99.8129.8177.9-63.8-174.910.500110.5S141 H145S141-Q143 PolarHBondContact O-N 3.06Å; S141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-H145 PolarHBondContact O-ND1 2.97Å; Q143-H145 VanDerWaalsContact O-ND1 3.09Å
144S86.8Confident73.6Confident119 Ų119106.9 Ų106.983%0.83260%0.6SS**  trans-70.1136.2173.8-165.40000110
145H90.5Very high75.6Confident81 Ų81101.5 Ų101.538%0.37558%0.578SS.*  trans-152.7152.3-179.459.8-80.5000109.1Q143 C151 C195Q143-H145 PolarHBondContact O-ND1 2.97Å; Q143-H145 VanDerWaalsContact O-ND1 3.09Å; H145-C151 VanDerWaalsContact CD2-SG 3.58Å; H145-C151 PolarHBondContact NE2-SG 3.24Å; H145-C151 VanDerWaalsContact NE2-SG 3.41Å; H145-C195 WeakPolarHBondContact NE2-CB 3.12Å
146D91.8Very high77.2Confident153 Ų15396.7 Ų96.782%0.81856%0.556SS**  trans-73.7135168.5-63.7-56.1000109.8S148D146-S148 PolarHBondContact O-N 2.71Å
147C93.3Very high78.2Confident19 Ų19100.7 Ų100.713%0.12857%0.568CS.*  trans-72.5129-174.8-68.20000110.3R197 Y208 T212C147-R197 PolarHBondContact SG-NH1 3.33Å; C147-Y208 HydrophobicContact CB-CD2 4.28Å; C147-Y208 HydrophobicContact CB-CE2 4Å; C147-T212 HydrophobicContact CB-CG2 3.95Å
148S94.1Very high78.8Confident54 Ų54102 Ų10238%0.37857%0.567SS.*  trans-142-177.4-177.564.60000110.9D146 A150 C151 T212D146-S148 PolarHBondContact O-N 2.71Å; S148-A150 PolarHBondContact O-N 3.36Å; S148-A150 VanDerWaalsContact O-N 3.07Å; S148-C151 PolarHBondContact N-SG 2.98Å; S148-C151 VanDerWaalsContact N-SG 3.39Å; S148-C151 VanDerWaalsContact O-CB 3.23Å; S148-C151 WeakPolarHBondContact O-CB 3.09Å; S148-C151 PolarHBondContact O-N 2.86Å; S148-T212 WeakPolarHBondContact O-CG2 3.37Å
149G91.2Very high79.4Confident45 Ų4599 Ų9946%0.46455%0.545SS..G310 helixtrans-55.2-24.3175.200000114.5C151 L152 T212G149-C151 PolarHBondContact O-N 2.78Å; G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 2.83Å; G149-L152 VanDerWaalsContact O-N 3.15Å; G149-T212 WeakPolarHBondContact CA-O 3.25Å
150A91.5Very high80.1Confident94 Ų9497.6 Ų97.678%0.77753%0.53SS*.G310 helixtrans-67.6-17.3173.700000113.8S148 L152S148-A150 PolarHBondContact O-N 3.36Å; S148-A150 VanDerWaalsContact O-N 3.07Å; A150-L152 VanDerWaalsContact C-N 3.25Å; A150-L152 PolarHBondContact O-N 2.85Å
151C92.5Very high80.5Confident10 Ų1091.3 Ų91.37%0.06851%0.505CS..G310 helixtrans-82.6-0.6174.6-54.20000113.1H145 S148 G149 C195 Y208 T212H145-C151 VanDerWaalsContact CD2-SG 3.58Å; H145-C151 PolarHBondContact NE2-SG 3.24Å; H145-C151 VanDerWaalsContact NE2-SG 3.41Å; S148-C151 PolarHBondContact N-SG 2.98Å; S148-C151 VanDerWaalsContact N-SG 3.39Å; S148-C151 VanDerWaalsContact O-CB 3.23Å; S148-C151 WeakPolarHBondContact O-CB 3.09Å; S148-C151 PolarHBondContact O-N 2.86Å; G149-C151 PolarHBondContact O-N 2.78Å; C151-C195 HydrophobicContact CB-CB 3.78Å; C151-Y208 WeakPolarHBondContact CB-OH 3.24Å; C151-Y208 PolarHBondContact O-OH 3.44Å; C151-T212 HydrophobicContact CB-CG2 4.22Å
152L90.3Very high81.3Confident27 Ų2790.1 Ų90.114%0.14149%0.49CS..SBendtrans-107.1131.9-179.9-60.7176.6000110.7G149 A150 Y208 T212 C214 F216G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 2.83Å; G149-L152 VanDerWaalsContact O-N 3.15Å; A150-L152 VanDerWaalsContact C-N 3.25Å; A150-L152 PolarHBondContact O-N 2.85Å; L152-Y208 HydrophobicContact CD2-CE1 3.99Å; L152-T212 WeakPolarHBondContact CD1-O 3.41Å; L152-C214 HydrophobicContact CD1-CB 3.66Å; L152-C214 HydrophobicContact CD2-CB 4.41Å; L152-F216 HydrophobicContact CB-CE1 4.18Å; L152-F216 HydrophobicContact CB-CZ 4.06Å; L152-F216 HydrophobicContact CD1-CE1 3.99Å; L152-F216 HydrophobicContact CD1-CZ 4.36Å; L152-F216 HydrophobicContact CD2-CZ 4.46Å
153M82.4Confident82Confident89 Ų8982.5 Ų82.544%0.43846%0.461SS..PPolyproline II helixtrans-75.7143167.2-65.2-67.7-79.400109.6M155 H172 P194 F216M153-M155 PolarHBondContact O-N 2.58Å; M153-H172 HydrophobicContact CG-CB 4.14Å; M153-P194 HydrophobicContact CG-CB 4.23Å; M153-P194 HydrophobicContact CG-CG 4.38Å; M153-F216 WeakPolarHBondContact O-CZ 3.43Å
154K76.9Confident82.5Confident202 Ų20276.6 Ų76.688%0.87843%0.434SS*.PPolyproline II helixtrans-59.4134175.3-68-176.8178.7179.90110.1
155M76.4Confident82.9Confident84 Ų8471.6 Ų71.641%0.41440%0.398SS..PPolyproline II helixtrans-63.2133.7-179.6175.5157.8132.800111.8M153 L159 F216M153-M155 PolarHBondContact O-N 2.58Å; M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 3.82Å; M155-L159 HydrophobicContact SD-CD1 3.96Å; M155-F216 HydrophobicContact CB-CB 4.26Å; M155-F216 HydrophobicContact CB-CD2 3.78Å; M155-F216 HydrophobicContact CB-CE2 4.28Å; M155-F216 HydrophobicContact CB-CG 3.98Å; M155-F216 HydrophobicContact CG-CD2 4.34Å; M155-F216 HydrophobicContact SD-CB 3.77Å; M155-F216 HydrophobicContact SD-CD2 4.04Å; M155-F216 HydrophobicContact SD-CG 4.27Å
156P73.1Confident83Confident51 Ų5170.3 Ų70.333%0.33139%0.392SS..PPolyproline II helixtrans-57.5136.9170.7-25.433.6000112.7N158 L159 K170P156-N158 VanDerWaalsContact C-N 3.26Å; P156-N158 PolarHBondContact O-N 2.98Å; P156-N158 VanDerWaalsContact O-N 3.1Å; P156-L159 HydrophobicContact CB-CD1 4.45Å; P156-L159 HydrophobicContact CB-CD2 4.06Å; P156-L159 HydrophobicContact CB-CG 4.36Å; P156-K170 HydrophobicContact CG-CB 4.49Å
157L62.8Low83Confident186 Ų18664.4 Ų64.497%0.97436%0.361SS*.SBendtrans-70.8-6.6-166.5-69.8172.7000116.2
158N61.3Low83.1Confident129 Ų12963.5 Ų63.569%0.6936%0.355SS*.  trans-147.897.5179.1-167.46.6000112.3P156P156-N158 VanDerWaalsContact C-N 3.26Å; P156-N158 PolarHBondContact O-N 2.98Å; P156-N158 VanDerWaalsContact O-N 3.1Å
159L64.6Low83.1Confident22 Ų2264.2 Ų64.212%0.11535%0.354CS..  trans-121.111.9179.5-56.8174.9000112.1M155 P156 G161 E162 L167 K170M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 3.82Å; M155-L159 HydrophobicContact SD-CD1 3.96Å; P156-L159 HydrophobicContact CB-CD1 4.45Å; P156-L159 HydrophobicContact CB-CD2 4.06Å; P156-L159 HydrophobicContact CB-CG 4.36Å; L159-G161 PolarHBondContact O-N 2.85Å; L159-E162 WeakPolarHBondContact CD2-OE2 3.4Å; L159-E162 PolarHBondContact O-N 2.76Å; L159-L167 HydrophobicContact CB-CD2 3.78Å; L159-L167 HydrophobicContact CD1-CD2 3.75Å; L159-L167 HydrophobicContact CD2-CD2 4.43Å; L159-L167 HydrophobicContact CG-CD2 4.19Å; L159-K170 HydrophobicContact CD2-CD 3.61Å
160K67.8Low83.1Confident132 Ų13265.8 Ų65.857%0.57435%0.348SS*.THydrogen-bonded Turntrans-71.8122.5-174.1-170.3175.9-176.4179.50110.5S252K160-S252 VanDerWaalsContact CE-O 3.32Å; K160-S252 WeakPolarHBondContact CE-O 3.47Å
161G75.4Confident83.2Confident31 Ų3161.4 Ų61.432%0.3231%0.311SS..THydrogen-bonded Turntrans87.68.6-179.400000114.8L159 R368L159-G161 PolarHBondContact O-N 2.85Å; G161-R368 WeakPolarHBondContact O-CD 3.21Å; G161-R368 PolarHBondContact O-NH1 2.94Å
162E86.4Confident83.2Confident59 Ų5966.1 Ų66.128%0.27633%0.332SS..SBendtrans-88.3169172-59.1-160.7135.100113.1L159 P164 K170 R368L159-E162 WeakPolarHBondContact CD2-OE2 3.4Å; L159-E162 PolarHBondContact O-N 2.76Å; E162-P164 WeakPolarHBondContact O-CD 3.14Å; E162-K170 IonicContact OE1-NZ 3.71Å; E162-K170 PolarHBondContact OE1-NZ 2.95Å; E162-K170 WeakPolarHBondContact OE2-CD 3.49Å; E162-K170 VanDerWaalsContact OE2-CE 3.3Å; E162-K170 WeakPolarHBondContact OE2-CE 3.28Å; E162-K170 IonicContact OE2-NZ 2.84Å; E162-K170 PolarHBondContact OE2-NZ 3.43Å; E162-R368 VanDerWaalsContact O-CD 3.27Å; E162-R368 WeakPolarHBondContact O-CD 3.19Å
163N91.9Very high83.5Confident3 Ų365 Ų652%0.01633%0.326CS..  trans-64.5119.9175.8-179.7-11.4000110.2L165 Q166 L230 D385N163-L165 PolarHBondContact O-N 2.73Å; N163-L165 WeakPolarHBondContact OD1-CB 3.25Å; N163-L165 PolarHBondContact OD1-N 3.44Å; N163-Q166 HydrophobicContact CB-CB 4.27Å; N163-Q166 HydrophobicContact CB-CG 3.86Å; N163-Q166 WeakPolarHBondContact O-CB 3.24Å; N163-Q166 PolarHBondContact O-N 3.26Å; N163-L230 PolarHBondContact ND2-O 3.23Å; N163-D385 WeakPolarHBondContact CB-OD1 3.38Å; N163-D385 PolarHBondContact ND2-OD1 3.13Å
164P91.7Very high84.1Confident18 Ų1865.4 Ų65.412%0.11733%0.327CS..THydrogen-bonded Turntrans-57.3-23.3179.7-23.932.9000114.7E162 L167 N221 Q366E162-P164 WeakPolarHBondContact O-CD 3.14Å; P164-L167 WeakPolarHBondContact O-CG 3.47Å; P164-N221 WeakPolarHBondContact O-CB 3.32Å; P164-N221 PolarHBondContact O-ND2 3.18Å; P164-Q366 WeakPolarHBondContact CG-O 3.28Å
165L94.3Very high85Confident14 Ų1457.5 Ų57.57%0.07329%0.291CS..THydrogen-bonded Turntrans-87.9-9.2179.3-54.6-179.3000113.6N163 D220 N221 V228 L230 D386N163-L165 PolarHBondContact O-N 2.73Å; N163-L165 WeakPolarHBondContact OD1-CB 3.25Å; N163-L165 PolarHBondContact OD1-N 3.44Å; L165-D220 WeakPolarHBondContact CD2-O 3.06Å; L165-N221 WeakPolarHBondContact CA-O 3.1Å; L165-N221 WeakPolarHBondContact CD2-O 3.2Å; L165-V228 HydrophobicContact CD1-CG1 3.71Å; L165-L230 HydrophobicContact CB-CD2 3.62Å; L165-D386 WeakPolarHBondContact CD1-O 3.4Å
166Q93.6Very high85.8Confident54 Ų5459.2 Ų59.225%0.25229%0.293SS..THydrogen-bonded Turntrans-83.7-20168.9-71.5-179.76.800112.6N163 I169 K170 L230N163-Q166 HydrophobicContact CB-CB 4.27Å; N163-Q166 HydrophobicContact CB-CG 3.86Å; N163-Q166 WeakPolarHBondContact O-CB 3.24Å; N163-Q166 PolarHBondContact O-N 3.26Å; Q166-I169 WeakPolarHBondContact O-CA 3.48Å; Q166-I169 WeakPolarHBondContact O-CB 2.99Å; Q166-I169 PolarHBondContact O-N 3.09Å; Q166-K170 PolarHBondContact O-N 3.1Å; Q166-K170 VanDerWaalsContact O-N 3.09Å; Q166-L230 HydrophobicContact CG-CB 4.15Å; Q166-L230 PolarHBondContact NE2-O 3.39Å
167L92.3Very high86.7Confident30 Ų3061.6 Ų61.616%0.15730%0.3CS..Hα-helixtrans-55.4-43.3-175.5-52.8177.7000113.2L159 P164 I169 K170 C171 L217L159-L167 HydrophobicContact CB-CD2 3.78Å; L159-L167 HydrophobicContact CD1-CD2 3.75Å; L159-L167 HydrophobicContact CD2-CD2 4.43Å; L159-L167 HydrophobicContact CG-CD2 4.19Å; P164-L167 WeakPolarHBondContact O-CG 3.47Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 2.9Å; L167-K170 PolarHBondContact O-N 3.06Å; L167-C171 PolarHBondContact O-N 3.44Å; L167-C171 PolarHBondContact O-SG 2.92Å; L167-L217 HydrophobicContact CB-CD2 3.77Å
168P94.8Very high87.5Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-61.4-35.2174.8-22.634.5000113.1C171 H172 F173 Y191 L217 N221 F222P168-C171 CarbonylContact O-C 3.56Å; P168-C171 VanDerWaalsContact O-C 3.27Å; P168-C171 WeakPolarHBondContact O-CA 3.4Å; P168-C171 PolarHBondContact O-N 3.21Å; P168-C171 VanDerWaalsContact O-N 3.16Å; P168-H172 PolarHBondContact O-N 3.09Å; P168-F173 HydrophobicContact CB-CB 3.98Å; P168-F173 HydrophobicContact CB-CD2 4.26Å; P168-F173 HydrophobicContact CB-CG 4.18Å; P168-F173 VanDerWaalsContact O-CB 3.31Å; P168-F173 WeakPolarHBondContact O-CB 3.37Å; P168-F173 WeakPolarHBondContact O-CD2 3.46Å; P168-F173 PolarHBondContact O-N 3.44Å; P168-Y191 HydrophobicContact CB-CE1 4.24Å; P168-L217 HydrophobicContact CB-CD1 4.4Å; P168-L217 HydrophobicContact CG-CD2 4.21Å; P168-N221 HydrophobicContact CG-CB 4.03Å; P168-N221 VanDerWaalsContact CG-O 3.29Å; P168-N221 WeakPolarHBondContact CG-O 3.32Å; P168-F222 HydrophobicContact CB-CD1 4.2Å; P168-F222 HydrophobicContact CB-CE1 3.66Å; P168-F222 HydrophobicContact CB-CE2 4.34Å; P168-F222 HydrophobicContact CB-CZ 3.74Å; P168-F222 HydrophobicContact CG-CD1 4.07Å; P168-F222 HydrophobicContact CG-CD2 4.06Å; P168-F222 HydrophobicContact CG-CE1 3.9Å; P168-F222 HydrophobicContact CG-CE2 3.89Å; P168-F222 HydrophobicContact CG-CG 4.16Å; P168-F222 HydrophobicContact CG-CZ 3.81Å
169I94.3Very high88.3Confident68 Ų6854.1 Ų54.135%0.34926%0.262SS..Hα-helixtrans-67.5-41.4-179.9-44.5-55.5000110.5Q166 L167 C171 H172 F173 R175 Y191 L230Q166-I169 WeakPolarHBondContact O-CA 3.48Å; Q166-I169 WeakPolarHBondContact O-CB 2.99Å; Q166-I169 PolarHBondContact O-N 3.09Å; L167-I169 VanDerWaalsContact C-N 3.27Å; L167-I169 PolarHBondContact O-N 2.9Å; I169-C171 PolarHBondContact O-N 3.36Å; I169-H172 WeakPolarHBondContact O-CA 3.43Å; I169-H172 PolarHBondContact O-N 3.38Å; I169-F173 WeakPolarHBondContact CA-O 3.34Å; I169-F173 VanDerWaalsContact CD1-O 3.28Å; I169-F173 WeakPolarHBondContact CD1-O 3.47Å; I169-R175 HydrophobicContact CD1-CB 3.76Å; I169-Y191 HydrophobicContact CD1-CE1 4.33Å; I169-L230 HydrophobicContact CD1-CD1 3.75Å; I169-L230 HydrophobicContact CG1-CD1 3.54Å
170K91.6Very high88.5Confident79 Ų7957.3 Ų57.334%0.34328%0.282SS..Hα-helixtrans-66.7-22.9173.5-68-167.1167.9-160.10113.2P156 L159 E162 Q166 L167 H172P156-K170 HydrophobicContact CG-CB 4.49Å; L159-K170 HydrophobicContact CD2-CD 3.61Å; E162-K170 IonicContact OE1-NZ 3.71Å; E162-K170 PolarHBondContact OE1-NZ 2.95Å; E162-K170 WeakPolarHBondContact OE2-CD 3.49Å; E162-K170 VanDerWaalsContact OE2-CE 3.3Å; E162-K170 WeakPolarHBondContact OE2-CE 3.28Å; E162-K170 IonicContact OE2-NZ 2.84Å; E162-K170 PolarHBondContact OE2-NZ 3.43Å; Q166-K170 PolarHBondContact O-N 3.1Å; Q166-K170 VanDerWaalsContact O-N 3.09Å; L167-K170 PolarHBondContact O-N 3.06Å; K170-H172 VanDerWaalsContact C-N 3.28Å
171C92.3Very high88.7Confident1 Ų155.4 Ų55.41%0.00728%0.278CS..THydrogen-bonded Turntrans-9325.9169.8-580000112.6L167 P168 I169 F173 P194 F216 L217L167-C171 PolarHBondContact O-N 3.44Å; L167-C171 PolarHBondContact O-SG 2.92Å; P168-C171 CarbonylContact O-C 3.56Å; P168-C171 VanDerWaalsContact O-C 3.27Å; P168-C171 WeakPolarHBondContact O-CA 3.4Å; P168-C171 PolarHBondContact O-N 3.21Å; P168-C171 VanDerWaalsContact O-N 3.16Å; I169-C171 PolarHBondContact O-N 3.36Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 HydrophobicContact CB-CD2 4.26Å; C171-F173 HydrophobicContact CB-CE2 4.41Å; C171-F173 WeakPolarHBondContact O-CD2 3.36Å; C171-F173 PolarHBondContact O-N 3.06Å; C171-P194 VanDerWaalsContact O-CG 3.31Å; C171-P194 WeakPolarHBondContact O-CG 3.42Å; C171-F216 HydrophobicContact CB-CE2 4.15Å; C171-L217 HydrophobicContact CB-CD1 3.86Å
172H93.4Very high88.4Confident109 Ų10958.4 Ų58.451%0.50529%0.294SS..THydrogen-bonded Turntrans64.114.5175.7-60.6-101.1000117.1M153 P168 I169 K170 P194M153-H172 HydrophobicContact CG-CB 4.14Å; P168-H172 PolarHBondContact O-N 3.09Å; I169-H172 WeakPolarHBondContact O-CA 3.43Å; I169-H172 PolarHBondContact O-N 3.38Å; K170-H172 VanDerWaalsContact C-N 3.28Å; H172-P194 HydrophobicContact CB-CB 4.37Å; H172-P194 HydrophobicContact CB-CG 4.11Å
173F95.6Very high87.7Confident3 Ų363.7 Ų63.71%0.01332%0.319CS..  trans-74.8131.9167.8-67-114.4000110.5P168 I169 C171 Y191 K192 T193 P194 L199 Y208 L217 F222P168-F173 HydrophobicContact CB-CB 3.98Å; P168-F173 HydrophobicContact CB-CD2 4.26Å; P168-F173 HydrophobicContact CB-CG 4.18Å; P168-F173 VanDerWaalsContact O-CB 3.31Å; P168-F173 WeakPolarHBondContact O-CB 3.37Å; P168-F173 WeakPolarHBondContact O-CD2 3.46Å; P168-F173 PolarHBondContact O-N 3.44Å; I169-F173 WeakPolarHBondContact CA-O 3.34Å; I169-F173 VanDerWaalsContact CD1-O 3.28Å; I169-F173 WeakPolarHBondContact CD1-O 3.47Å; C171-F173 VanDerWaalsContact C-N 3.3Å; C171-F173 HydrophobicContact CB-CD2 4.26Å; C171-F173 HydrophobicContact CB-CE2 4.41Å; C171-F173 WeakPolarHBondContact O-CD2 3.36Å; C171-F173 PolarHBondContact O-N 3.06Å; F173-Y191 HydrophobicContact CB-CD1 4.19Å; F173-K192 CarbonylContact C-O 3.54Å; F173-K192 VanDerWaalsContact CA-O 3.3Å; F173-K192 WeakPolarHBondContact CA-O 3.38Å; F173-T193 HydrophobicContact CD1-CG2 4.07Å; F173-T193 HydrophobicContact CE1-CG2 3.77Å; F173-P194 HydrophobicContact CD2-CG 4.26Å; F173-P194 HydrophobicContact CE2-CG 4.31Å; F173-L199 HydrophobicContact CE1-CD1 4.3Å; F173-Y208 HydrophobicContact CE1-CD1 4.12Å; F173-Y208 AromaticContact CE1-CE1 3.89Å; F173-Y208 HydrophobicContact CE1-CE1 3.89Å; F173-Y208 HydrophobicContact CZ-CD1 4.18Å; F173-Y208 AromaticContact CZ-CE1 3.7Å; F173-Y208 HydrophobicContact CZ-CE1 3.7Å; F173-L217 HydrophobicContact CD2-CD1 4.1Å; F173-L217 HydrophobicContact CE2-CD1 3.55Å; F173-L217 HydrophobicContact CZ-CD1 4.17Å; F173-F222 AromaticContact CD1-CE1 3.64Å; F173-F222 HydrophobicContact CD1-CE1 3.64Å; F173-F222 AromaticContact CD1-CZ 3.96Å; F173-F222 HydrophobicContact CD1-CZ 3.96Å; F173-F222 AromaticContact CE1-CE1 3.83Å; F173-F222 HydrophobicContact CE1-CE1 3.83Å; F173-F222 AromaticContact CE1-CZ 3.74Å; F173-F222 HydrophobicContact CE1-CZ 3.74Å; F173-F222 HydrophobicContact CE2-CZ 4.42Å; F173-F222 HydrophobicContact CG-CE1 4.14Å; F173-F222 HydrophobicContact CG-CZ 4.36Å; F173-F222 HydrophobicContact CZ-CE1 4.49Å; F173-F222 AromaticContact CZ-CZ 3.99Å; F173-F222 HydrophobicContact CZ-CZ 3.99Å
174Q96.1Very high86.8Confident98 Ų9864.6 Ų64.646%0.45833%0.325SS..EExtended strand (participates in β ladder)trans-98104.9179.8-57177.1-0.100110.3R176 Y191 K192Q174-R176 HydrophobicContact CB-CG 4.49Å; Q174-R176 PolarHBondContact O-N 3.1Å; Q174-Y191 WeakPolarHBondContact O-CA 3.31Å; Q174-K192 HydrophobicContact CB-CB 4.23Å; Q174-K192 PolarHBondContact N-O 3.34Å; Q174-K192 PolarHBondContact O-N 3.01Å
175R96Very high85.7Confident36 Ų3669.2 Ų69.214%0.13636%0.358CS..EExtended strand (participates in β ladder)trans-74.1117.2171.2-170-178.8-167-110.713.1109.8I169 H177 V189 S190 Y191 S223 N225 V228I169-R175 HydrophobicContact CD1-CB 3.76Å; R175-H177 PolarHBondContact NH1-NE2 2.99Å; R175-V189 HydrophobicContact CG-CG1 3.7Å; R175-S190 CarbonylContact C-O 3.52Å; R175-S190 WeakPolarHBondContact CA-O 3.26Å; R175-Y191 HydrophobicContact CB-CD1 3.98Å; R175-Y191 HydrophobicContact CB-CE1 3.72Å; R175-Y191 WeakPolarHBondContact CD-OH 3.47Å; R175-Y191 HydrophobicContact CG-CD1 4.39Å; R175-Y191 HydrophobicContact CG-CD2 4.46Å; R175-Y191 HydrophobicContact CG-CE1 3.95Å; R175-Y191 HydrophobicContact CG-CE2 4.01Å; R175-Y191 PolarHBondContact NE-OH 2.87Å; R175-S223 PolarHBondContact NE-O 2.63Å; R175-S223 PolarHBondContact NH2-O 2.91Å; R175-N225 PolarHBondContact NH2-O 2.83Å; R175-V228 PolarHBondContact NH1-O 3.37Å
176R93.5Very high84.8Confident121 Ų12170.8 Ų70.846%0.45737%0.373SS..EExtended strand (participates in β ladder)trans-119.1140.8-174.2-66.9171172.9-131.2-5.1110.2Q174 V189 S190Q174-R176 HydrophobicContact CB-CG 4.49Å; Q174-R176 PolarHBondContact O-N 3.1Å; R176-V189 CarbonylContact O-C 3.58Å; R176-V189 WeakPolarHBondContact O-CA 3.49Å; R176-S190 PolarHBondContact N-O 3.1Å; R176-S190 PolarHBondContact O-N 3.02Å
177H90.8Very high84.2Confident100 Ų10072.3 Ų72.346%0.46338%0.382SS..EExtended strand (participates in β ladder)trans-98.8130.2167.1-57.3101.5000108.6R175 H188R175-H177 PolarHBondContact NH1-NE2 2.99Å; H177-H188 WeakPolarHBondContact CA-O 3.39Å
178A80.3Confident84Confident45 Ų4575.3 Ų75.337%0.37240%0.396SS..EExtended strand (participates in β ladder)trans-142.5148.3-178.700000110.4H188A178-H188 PolarHBondContact N-O 3.22Å; A178-H188 PolarHBondContact O-N 2.78Å
179K77.5Confident84Confident113 Ų11375.7 Ų75.749%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-79.1143.6166.4-64.9-178.1164.9-151.40109.4N181 S184 L187K179-N181 VanDerWaalsContact C-N 3.32Å; K179-N181 WeakPolarHBondContact CB-O 3.29Å; K179-S184 VanDerWaalsContact CD-O 3.26Å; K179-S184 WeakPolarHBondContact CD-O 3.47Å; K179-S184 VanDerWaalsContact CE-O 3.23Å; K179-S184 WeakPolarHBondContact CE-O 3.49Å; K179-S184 PolarHBondContact NZ-O 3.31Å; K179-L187 HydrophobicContact CG-CD2 3.93Å
180T68.9Low84Confident90 Ų9073.7 Ų73.755%0.55239%0.39SS*.SBendtrans-69.9-28.1177.131.40000113.3H188T180-H188 HydrophobicContact CG2-CB 4.44Å; T180-H188 VanDerWaalsContact CG2-CD2 3.4Å; T180-H188 WeakPolarHBondContact CG2-CD2 3.43Å
181N71.9Confident84.3Confident92 Ų9269.9 Ų69.949%0.49237%0.373SS..SBendtrans-154.4175.8166.760.635.7000109.5K179 H183 S184K179-N181 VanDerWaalsContact C-N 3.32Å; K179-N181 WeakPolarHBondContact CB-O 3.29Å; N181-H183 PolarHBondContact O-N 3.06Å; N181-H183 PolarHBondContact OD1-N 2.79Å; N181-H183 VanDerWaalsContact OD1-N 3.09Å; N181-S184 PolarHBondContact O-N 2.91Å; N181-S184 PolarHBondContact OD1-N 3.37Å
182S68.8Low84.5Confident93 Ų9373.1 Ų73.165%0.6539%0.387SS*.THydrogen-bonded Turntrans-55.1-35.1177.438.70000114.1
183H71.8Confident84.6Confident170 Ų17068.2 Ų68.279%0.78737%0.365SS*.THydrogen-bonded Turntrans-90.9-13.1-171.4-55.1-74.2000113.6N181 S185N181-H183 PolarHBondContact O-N 3.06Å; N181-H183 PolarHBondContact OD1-N 2.79Å; N181-H183 VanDerWaalsContact OD1-N 3.09Å; H183-S185 PolarHBondContact O-N 3.22Å
184S74.1Confident84.5Confident23 Ų2370.2 Ų70.216%0.16138%0.378CS..  trans-69.9127.8177-1730000111.3K179 N181 A186K179-S184 VanDerWaalsContact CD-O 3.26Å; K179-S184 WeakPolarHBondContact CD-O 3.47Å; K179-S184 VanDerWaalsContact CE-O 3.23Å; K179-S184 WeakPolarHBondContact CE-O 3.49Å; K179-S184 PolarHBondContact NZ-O 3.31Å; N181-S184 PolarHBondContact O-N 2.91Å; N181-S184 PolarHBondContact OD1-N 3.37Å; S184-A186 PolarHBondContact OG-N 3.07Å; S184-A186 VanDerWaalsContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 3.04Å
185S67.9Low84.4Confident114 Ų11466.9 Ų66.980%0.79737%0.365SS*.  trans-74.7-29.7163.152.50000111.5H183 L187H183-S185 PolarHBondContact O-N 3.22Å; S185-L187 PolarHBondContact O-N 3.32Å
186A75.6Confident84.2Confident48 Ų4865.8 Ų65.840%0.39737%0.365SS..  trans-75.1121.7-178.900000111.9S184S184-A186 PolarHBondContact OG-N 3.07Å; S184-A186 VanDerWaalsContact OG-N 3.1Å; S184-A186 PolarHBondContact OG-O 3.04Å
187L81.1Confident84.2Confident85 Ų8563.2 Ų63.245%0.44536%0.356SS..EExtended strand (participates in β ladder)trans-72.5148.1161.4-67.9172.7000109.9K179 S185 T226K179-L187 HydrophobicContact CG-CD2 3.93Å; S185-L187 PolarHBondContact O-N 3.32Å; L187-T226 HydrophobicContact CB-CG2 4.06Å; L187-T226 VanDerWaalsContact O-CG2 3.24Å; L187-T226 WeakPolarHBondContact O-CG2 3.41Å
188H88.1Confident84.4Confident94 Ų9461.8 Ų61.844%0.43536%0.357SS..EExtended strand (participates in β ladder)trans-122.2149.7167.6-71.4-107.1000109.1H177 A178 T180H177-H188 WeakPolarHBondContact CA-O 3.39Å; A178-H188 PolarHBondContact N-O 3.22Å; A178-H188 PolarHBondContact O-N 2.78Å; T180-H188 HydrophobicContact CG2-CB 4.44Å; T180-H188 VanDerWaalsContact CG2-CD2 3.4Å; T180-H188 WeakPolarHBondContact CG2-CD2 3.43Å
189V94.2Very high85.2Confident8 Ų859.7 Ų59.75%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-87.2143.4171.7179.80000109.3R175 R176 Y191 F224 T226R175-V189 HydrophobicContact CG-CG1 3.7Å; R176-V189 CarbonylContact O-C 3.58Å; R176-V189 WeakPolarHBondContact O-CA 3.49Å; V189-Y191 HydrophobicContact CG1-CD2 4.37Å; V189-Y191 HydrophobicContact CG1-CE2 4.08Å; V189-F224 HydrophobicContact CB-CB 4.43Å; V189-F224 HydrophobicContact CB-CD1 4.36Å; V189-F224 WeakPolarHBondContact CB-O 3.06Å; V189-F224 HydrophobicContact CG1-CD1 4.37Å; V189-F224 VanDerWaalsContact CG2-O 3.32Å; V189-F224 WeakPolarHBondContact CG2-O 3.46Å; V189-F224 WeakPolarHBondContact O-CD1 3.41Å; V189-T226 HydrophobicContact CG2-CG2 4.12Å
190S95.4Very high86Confident25 Ų2563.1 Ų63.118%0.17535%0.349CS..EExtended strand (participates in β ladder)trans-138.3159165.256.70000109.9R175 R176 L199R175-S190 CarbonylContact C-O 3.52Å; R175-S190 WeakPolarHBondContact CA-O 3.26Å; R176-S190 PolarHBondContact N-O 3.1Å; R176-S190 PolarHBondContact O-N 3.02Å; S190-L199 CarbonylContact C-O 3.6Å; S190-L199 WeakPolarHBondContact CA-O 3.41Å; S190-L199 WeakPolarHBondContact CB-O 3.3Å
191Y97.1Very high87.2Confident0 Ų061.6 Ų61.60%034%0.337CS..EExtended strand (participates in β ladder)trans-116.7128.9171.4-74.7-103.7000109.1P168 I169 F173 Q174 R175 V189 L199 F222 S223 F224P168-Y191 HydrophobicContact CB-CE1 4.24Å; I169-Y191 HydrophobicContact CD1-CE1 4.33Å; F173-Y191 HydrophobicContact CB-CD1 4.19Å; Q174-Y191 WeakPolarHBondContact O-CA 3.31Å; R175-Y191 HydrophobicContact CB-CD1 3.98Å; R175-Y191 HydrophobicContact CB-CE1 3.72Å; R175-Y191 WeakPolarHBondContact CD-OH 3.47Å; R175-Y191 HydrophobicContact CG-CD1 4.39Å; R175-Y191 HydrophobicContact CG-CD2 4.46Å; R175-Y191 HydrophobicContact CG-CE1 3.95Å; R175-Y191 HydrophobicContact CG-CE2 4.01Å; R175-Y191 PolarHBondContact NE-OH 2.87Å; V189-Y191 HydrophobicContact CG1-CD2 4.37Å; V189-Y191 HydrophobicContact CG1-CE2 4.08Å; Y191-L199 PolarHBondContact N-O 3.04Å; Y191-L199 PolarHBondContact O-N 2.97Å; Y191-F222 AromaticContact CD1-CD1 3.68Å; Y191-F222 HydrophobicContact CD1-CD1 3.68Å; Y191-F222 AromaticContact CD1-CE1 3.89Å; Y191-F222 HydrophobicContact CD1-CE1 3.89Å; Y191-F222 HydrophobicContact CD2-CD1 4.02Å; Y191-F222 AromaticContact CE1-CD1 3.65Å; Y191-F222 HydrophobicContact CE1-CD1 3.65Å; Y191-F222 HydrophobicContact CE1-CE1 4.15Å; Y191-F222 HydrophobicContact CE2-CB 4.29Å; Y191-F222 HydrophobicContact CE2-CD1 4.01Å; Y191-F222 AromaticContact CG-CD1 3.85Å; Y191-F222 HydrophobicContact CG-CD1 3.85Å; Y191-F222 HydrophobicContact CG-CE1 4.22Å; Y191-F222 AromaticContact CZ-CD1 3.81Å; Y191-S223 WeakPolarHBondContact CE2-O 3.48Å; Y191-S223 PolarHBondContact OH-N 3.22Å; Y191-S223 PolarHBondContact OH-O 2.89Å; Y191-F224 AromaticContact CD2-CE1 3.89Å; Y191-F224 HydrophobicContact CD2-CE1 3.89Å; Y191-F224 HydrophobicContact CD2-CE2 4.1Å; Y191-F224 AromaticContact CD2-CZ 3.63Å; Y191-F224 HydrophobicContact CD2-CZ 3.63Å; Y191-F224 HydrophobicContact CE2-CD2 4.46Å; Y191-F224 HydrophobicContact CE2-CE1 4.44Å; Y191-F224 HydrophobicContact CE2-CE2 4.15Å; Y191-F224 HydrophobicContact CE2-CZ 4.14Å
192K96.3Very high88.3Confident69 Ų6958.5 Ų58.530%0.332%0.322SS..EExtended strand (participates in β ladder)trans-92.2127.6165.2-162.6177.7-177.4-177.70108.4F173 Q174 G196 R197F173-K192 CarbonylContact C-O 3.54Å; F173-K192 VanDerWaalsContact CA-O 3.3Å; F173-K192 WeakPolarHBondContact CA-O 3.38Å; Q174-K192 HydrophobicContact CB-CB 4.23Å; Q174-K192 PolarHBondContact N-O 3.34Å; Q174-K192 PolarHBondContact O-N 3.01Å; K192-G196 VanDerWaalsContact CE-CA 3.47Å; K192-G196 WeakPolarHBondContact CE-O 3.23Å; K192-G196 WeakPolarHBondContact CG-O 3.46Å; K192-R197 CarbonylContact C-O 3.55Å; K192-R197 WeakPolarHBondContact CA-O 3.33Å
193T95.9Very high89.6Confident5 Ų558 Ų583%0.03131%0.309CS..  trans-75.3167.8179.170.30000111.3F173 C195 G196 R197 L199 Y208F173-T193 HydrophobicContact CD1-CG2 4.07Å; F173-T193 HydrophobicContact CE1-CG2 3.77Å; T193-C195 VanDerWaalsContact C-N 3.31Å; T193-C195 PolarHBondContact O-N 3.09Å; T193-C195 PolarHBondContact OG1-SG 3.36Å; T193-G196 WeakPolarHBondContact O-CA 3.48Å; T193-G196 PolarHBondContact O-N 3.27Å; T193-G196 PolarHBondContact OG1-N 2.94Å; T193-R197 HydrophobicContact CG2-CB 4.24Å; T193-R197 PolarHBondContact N-O 2.88Å; T193-R197 PolarHBondContact OG1-N 3.16Å; T193-R197 VanDerWaalsContact OG1-N 3.12Å; T193-R197 PolarHBondContact OG1-O 2.94Å; T193-L199 HydrophobicContact CG2-CD1 3.5Å; T193-L199 VanDerWaalsContact CG2-CD1 3.5Å; T193-L199 HydrophobicContact CG2-CD2 4.21Å; T193-L199 HydrophobicContact CG2-CG 3.74Å; T193-Y208 HydrophobicContact CG2-CD1 4.12Å; T193-Y208 HydrophobicContact CG2-CD2 4.01Å; T193-Y208 HydrophobicContact CG2-CE1 3.86Å; T193-Y208 HydrophobicContact CG2-CE2 3.72Å; T193-Y208 HydrophobicContact CG2-CG 4.19Å
194P94.1Very high90.8Very high46 Ų4651.7 Ų51.730%0.29928%0.28SS..THydrogen-bonded Turntrans-57.8-40.5175.4-25.636.1000113M153 C171 H172 F173 G196M153-P194 HydrophobicContact CG-CB 4.23Å; M153-P194 HydrophobicContact CG-CG 4.38Å; C171-P194 VanDerWaalsContact O-CG 3.31Å; C171-P194 WeakPolarHBondContact O-CG 3.42Å; H172-P194 HydrophobicContact CB-CB 4.37Å; H172-P194 HydrophobicContact CB-CG 4.11Å; F173-P194 HydrophobicContact CD2-CG 4.26Å; F173-P194 HydrophobicContact CE2-CG 4.31Å; P194-G196 PolarHBondContact O-N 3.31Å
195C92.8Very high91.8Very high27 Ų2750.6 Ų50.618%0.18227%0.272CS..THydrogen-bonded Turntrans-75-0.7173.971.90000114.6H145 C151 T193H145-C195 WeakPolarHBondContact NE2-CB 3.12Å; C151-C195 HydrophobicContact CB-CB 3.78Å; T193-C195 VanDerWaalsContact C-N 3.31Å; T193-C195 PolarHBondContact O-N 3.09Å; T193-C195 PolarHBondContact OG1-SG 3.36Å
196G92.7Very high93.2Very high13 Ų1345.7 Ų45.713%0.13424%0.237CC..  trans93.6-3.6170.400000116.6K192 T193 P194K192-G196 VanDerWaalsContact CE-CA 3.47Å; K192-G196 WeakPolarHBondContact CE-O 3.23Å; K192-G196 WeakPolarHBondContact CG-O 3.46Å; T193-G196 WeakPolarHBondContact O-CA 3.48Å; T193-G196 PolarHBondContact O-N 3.27Å; T193-G196 PolarHBondContact OG1-N 2.94Å; P194-G196 PolarHBondContact O-N 3.31Å
197R93.6Very high94.1Very high68 Ų6848.9 Ų48.926%0.25724%0.239SC..  trans-59.5143.2172.2-178.2167.8167.4179.1-7.1110.3C147 K192 T193 L199 E211C147-R197 PolarHBondContact SG-NH1 3.33Å; K192-R197 CarbonylContact C-O 3.55Å; K192-R197 WeakPolarHBondContact CA-O 3.33Å; T193-R197 HydrophobicContact CG2-CB 4.24Å; T193-R197 PolarHBondContact N-O 2.88Å; T193-R197 PolarHBondContact OG1-N 3.16Å; T193-R197 VanDerWaalsContact OG1-N 3.12Å; T193-R197 PolarHBondContact OG1-O 2.94Å; R197-L199 HydrophobicContact CG-CD2 4.07Å; R197-E211 IonicContact CZ-OE1 3.44Å; R197-E211 IonicContact CZ-OE2 3.51Å; R197-E211 VanDerWaalsContact CZ-OE2 3.3Å; R197-E211 IonicContact NH1-OE1 3.58Å; R197-E211 IonicContact NH1-OE2 2.7Å; R197-E211 PolarHBondContact NH1-OE2 2.81Å; R197-E211 VanDerWaalsContact NH2-CD 3.34Å; R197-E211 IonicContact NH2-OE1 3.55Å; R197-E211 PolarHBondContact NH2-OE1 2.92Å; R197-E211 IonicContact NH2-OE2 2.74Å; R197-E211 PolarHBondContact NH2-OE2 2.79Å
198S95.1Very high94.8Very high69 Ų6944.9 Ų44.948%0.48322%0.218SC..EExtended strand (participates in β ladder)trans-102.5129.1178.2-63.10000110.5
199L96.3Very high95.1Very high1 Ų140.6 Ų40.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-115122-179.5-47.6178.1000108.7F173 S190 Y191 T193 R197 E204 V205 Y208F173-L199 HydrophobicContact CE1-CD1 4.3Å; S190-L199 CarbonylContact C-O 3.6Å; S190-L199 WeakPolarHBondContact CA-O 3.41Å; S190-L199 WeakPolarHBondContact CB-O 3.3Å; Y191-L199 PolarHBondContact N-O 3.04Å; Y191-L199 PolarHBondContact O-N 2.97Å; T193-L199 HydrophobicContact CG2-CD1 3.5Å; T193-L199 VanDerWaalsContact CG2-CD1 3.5Å; T193-L199 HydrophobicContact CG2-CD2 4.21Å; T193-L199 HydrophobicContact CG2-CG 3.74Å; R197-L199 HydrophobicContact CG-CD2 4.07Å; L199-E204 WeakPolarHBondContact CA-OE2 3.38Å; L199-E204 HydrophobicContact CB-CB 4.19Å; L199-E204 HydrophobicContact CD2-CB 4.08Å; L199-V205 HydrophobicContact CB-CG2 4.14Å; L199-V205 HydrophobicContact CD1-CG2 3.82Å; L199-Y208 HydrophobicContact CD1-CD1 4.33Å; L199-Y208 HydrophobicContact CD1-CG 4.14Å; L199-Y208 HydrophobicContact CD2-CD2 4.49Å; L199-Y208 HydrophobicContact CD2-CG 4.38Å
200R93.6Very high95.1Very high185 Ų18542.4 Ų42.470%0.69821%0.207SC*.  trans-105-10.2-168.6-60.7169.4175.1158.3-2113.7E204 F224R200-E204 WeakPolarHBondContact CB-OE2 3.47Å; R200-E204 PolarHBondContact N-OE2 3.3Å; R200-F224 WeakPolarHBondContact O-CD1 3.42Å
201N94.4Very high95Very high58 Ų5845 Ų4531%0.3122%0.216SC..SBendtrans-159.8171.5-176.751.362000110.4E203 E204 V205 F224N201-E203 PolarHBondContact O-N 3.43Å; N201-E203 WeakPolarHBondContact OD1-CB 3Å; N201-E203 PolarHBondContact OD1-N 3.42Å; N201-E204 PolarHBondContact ND2-OE1 3.23Å; N201-E204 PolarHBondContact O-N 3.24Å; N201-E204 WeakPolarHBondContact OD1-CG 3.45Å; N201-E204 PolarHBondContact OD1-N 2.92Å; N201-V205 PolarHBondContact O-N 3.09Å; N201-F224 VanDerWaalsContact C-CE2 3.44Å; N201-F224 VanDerWaalsContact O-CZ 3.32Å; N201-F224 WeakPolarHBondContact O-CZ 3.3Å
202V95.2Very high94.8Very high27 Ų2745 Ų4516%0.16422%0.217CC..Hα-helixtrans-68.7-17.9-178.6-160.30000112.7F206 T219 F224 Y331V202-F206 WeakPolarHBondContact O-CB 3.21Å; V202-F206 PolarHBondContact O-N 3.39Å; V202-T219 HydrophobicContact CG1-CG2 4.18Å; V202-F224 HydrophobicContact CG2-CD2 3.64Å; V202-F224 HydrophobicContact CG2-CE2 4.04Å; V202-Y331 HydrophobicContact CB-CD2 3.9Å; V202-Y331 HydrophobicContact CB-CG 3.97Å; V202-Y331 VanDerWaalsContact CG1-CB 3.46Å; V202-Y331 HydrophobicContact CG1-CD1 4.33Å; V202-Y331 HydrophobicContact CG1-CD2 4.21Å; V202-Y331 HydrophobicContact CG1-CG 3.74Å
203E95.4Very high94.6Very high82 Ų8249.6 Ų49.638%0.38324%0.239SC..Hα-helixtrans-77.5-40178.1-179.5159.6137.300112.5N201 V205 F206 R207 Y331N201-E203 PolarHBondContact O-N 3.43Å; N201-E203 WeakPolarHBondContact OD1-CB 3Å; N201-E203 PolarHBondContact OD1-N 3.42Å; E203-V205 VanDerWaalsContact C-N 3.31Å; E203-F206 PolarHBondContact O-N 2.81Å; E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 WeakPolarHBondContact O-CG 3.48Å; E203-R207 PolarHBondContact O-N 3.31Å; E203-Y331 HydrophobicContact CB-CE1 4.31Å; E203-Y331 HydrophobicContact CB-CE2 3.85Å; E203-Y331 WeakPolarHBondContact CB-OH 3.41Å; E203-Y331 WeakPolarHBondContact CG-OH 3.42Å; E203-Y331 PolarHBondContact OE2-OH 3.07Å
204E96.9Very high94.4Very high38 Ų3849.4 Ų49.418%0.17824%0.238CC..Hα-helixtrans-66.7-34.4169.2-72.7164.6-143.700111.2L199 R200 N201 Y208L199-E204 WeakPolarHBondContact CA-OE2 3.38Å; L199-E204 HydrophobicContact CB-CB 4.19Å; L199-E204 HydrophobicContact CD2-CB 4.08Å; R200-E204 WeakPolarHBondContact CB-OE2 3.47Å; R200-E204 PolarHBondContact N-OE2 3.3Å; N201-E204 PolarHBondContact ND2-OE1 3.23Å; N201-E204 PolarHBondContact O-N 3.24Å; N201-E204 WeakPolarHBondContact OD1-CG 3.45Å; N201-E204 PolarHBondContact OD1-N 2.92Å; E204-Y208 VanDerWaalsContact O-CB 3.24Å; E204-Y208 WeakPolarHBondContact O-CB 3.17Å; E204-Y208 PolarHBondContact O-N 2.87Å
205V96.9Very high94.1Very high0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-63.9-50.2169.1168.60000111.7L199 N201 E203 R207 Y208 L209 F222 F224L199-V205 HydrophobicContact CB-CG2 4.14Å; L199-V205 HydrophobicContact CD1-CG2 3.82Å; N201-V205 PolarHBondContact O-N 3.09Å; E203-V205 VanDerWaalsContact C-N 3.31Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 3.1Å; V205-Y208 PolarHBondContact O-N 3.31Å; V205-L209 HydrophobicContact CG1-CD1 3.7Å; V205-L209 HydrophobicContact CG1-CG 4.21Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 VanDerWaalsContact O-CG 3.27Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.27Å; V205-F222 HydrophobicContact CG1-CB 4.21Å; V205-F222 HydrophobicContact CG1-CD1 4.13Å; V205-F222 HydrophobicContact CG1-CD2 3.5Å; V205-F222 VanDerWaalsContact CG1-CD2 3.5Å; V205-F222 HydrophobicContact CG1-CE1 4.37Å; V205-F222 HydrophobicContact CG1-CE2 3.77Å; V205-F222 HydrophobicContact CG1-CG 3.69Å; V205-F222 HydrophobicContact CG1-CZ 4.2Å; V205-F222 HydrophobicContact CG2-CB 4.35Å; V205-F222 HydrophobicContact CG2-CD1 3.85Å; V205-F222 HydrophobicContact CG2-CE1 4.28Å; V205-F222 HydrophobicContact CG2-CG 4.05Å; V205-F224 HydrophobicContact CG2-CE2 3.76Å; V205-F224 HydrophobicContact CG2-CZ 3.68Å
206F96Very high94Very high11 Ų1153.7 Ų53.75%0.04826%0.255CS..Hα-helixtrans-59.4-45.3-179.9176.7-115.2000111.9V202 E203 L209 L210 T219 I300 Y331 Q357V202-F206 WeakPolarHBondContact O-CB 3.21Å; V202-F206 PolarHBondContact O-N 3.39Å; E203-F206 PolarHBondContact O-N 2.81Å; F206-L209 PolarHBondContact O-N 2.96Å; F206-L210 WeakPolarHBondContact O-CB 3.28Å; F206-L210 PolarHBondContact O-N 3.26Å; F206-T219 HydrophobicContact CB-CG2 3.72Å; F206-T219 HydrophobicContact CD2-CG2 3.89Å; F206-T219 HydrophobicContact CG-CG2 4.24Å; F206-I300 HydrophobicContact CD1-CD1 4.35Å; F206-I300 HydrophobicContact CE1-CB 4.4Å; F206-I300 HydrophobicContact CE1-CD1 4.46Å; F206-I300 HydrophobicContact CE1-CG2 3.94Å; F206-Y331 HydrophobicContact CB-CD1 3.75Å; F206-Y331 HydrophobicContact CB-CE1 3.61Å; F206-Y331 HydrophobicContact CD1-CD1 4.5Å; F206-Y331 AromaticContact CD1-CE1 3.89Å; F206-Y331 HydrophobicContact CD1-CE1 3.89Å; F206-Y331 HydrophobicContact CG-CD1 4.09Å; F206-Y331 AromaticContact CG-CE1 3.89Å; F206-Y331 HydrophobicContact CG-CE1 3.89Å; F206-Q357 HydrophobicContact CD2-CG 4.1Å; F206-Q357 HydrophobicContact CE2-CG 3.74Å; F206-Q357 HydrophobicContact CZ-CG 4.09Å
207R95.4Very high94Very high116 Ų11653.1 Ų53.144%0.43825%0.249SC..Hα-helixtrans-62.3-47.3174.7-75.3-174.1-74.4166.4-7.2112.1E203 V205 L209 L210 E211E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 WeakPolarHBondContact O-CG 3.48Å; E203-R207 PolarHBondContact O-N 3.31Å; V205-R207 VanDerWaalsContact C-N 3.34Å; V205-R207 PolarHBondContact O-N 3.1Å; R207-L209 VanDerWaalsContact C-N 3.34Å; R207-L209 PolarHBondContact O-N 3.36Å; R207-L210 WeakPolarHBondContact O-CB 3.01Å; R207-L210 PolarHBondContact O-N 2.98Å; R207-L210 VanDerWaalsContact O-N 3.12Å; R207-E211 WeakPolarHBondContact CB-OE1 3.42Å; R207-E211 WeakPolarHBondContact O-CB 3.42Å; R207-E211 WeakPolarHBondContact O-CG 3.36Å; R207-E211 PolarHBondContact O-N 3.25Å
208Y96.2Very high93.9Very high1 Ų151.8 Ų51.80%0.00425%0.245CC..Hα-helixtrans-59.3-42.1176.8-177.4-93.7000112.9C147 C151 L152 F173 T193 L199 E204 V205 L210 T212C147-Y208 HydrophobicContact CB-CD2 4.28Å; C147-Y208 HydrophobicContact CB-CE2 4Å; C151-Y208 WeakPolarHBondContact CB-OH 3.24Å; C151-Y208 PolarHBondContact O-OH 3.44Å; L152-Y208 HydrophobicContact CD2-CE1 3.99Å; F173-Y208 HydrophobicContact CE1-CD1 4.12Å; F173-Y208 AromaticContact CE1-CE1 3.89Å; F173-Y208 HydrophobicContact CE1-CE1 3.89Å; F173-Y208 HydrophobicContact CZ-CD1 4.18Å; F173-Y208 AromaticContact CZ-CE1 3.7Å; F173-Y208 HydrophobicContact CZ-CE1 3.7Å; T193-Y208 HydrophobicContact CG2-CD1 4.12Å; T193-Y208 HydrophobicContact CG2-CD2 4.01Å; T193-Y208 HydrophobicContact CG2-CE1 3.86Å; T193-Y208 HydrophobicContact CG2-CE2 3.72Å; T193-Y208 HydrophobicContact CG2-CG 4.19Å; L199-Y208 HydrophobicContact CD1-CD1 4.33Å; L199-Y208 HydrophobicContact CD1-CG 4.14Å; L199-Y208 HydrophobicContact CD2-CD2 4.49Å; L199-Y208 HydrophobicContact CD2-CG 4.38Å; E204-Y208 VanDerWaalsContact O-CB 3.24Å; E204-Y208 WeakPolarHBondContact O-CB 3.17Å; E204-Y208 PolarHBondContact O-N 2.87Å; V205-Y208 PolarHBondContact O-N 3.31Å; Y208-L210 VanDerWaalsContact C-N 3.3Å; Y208-L210 PolarHBondContact O-N 3.44Å; Y208-T212 HydrophobicContact CD1-CG2 4.28Å; Y208-T212 HydrophobicContact CD2-CG2 4.19Å; Y208-T212 HydrophobicContact CE1-CG2 3.88Å; Y208-T212 HydrophobicContact CE2-CG2 3.82Å; Y208-T212 HydrophobicContact CG-CG2 4.43Å; Y208-T212 WeakPolarHBondContact O-CB 3.33Å; Y208-T212 WeakPolarHBondContact O-CG2 3.42Å; Y208-T212 PolarHBondContact O-N 2.61Å; Y208-T212 PolarHBondContact O-OG1 3.38Å
209L94.6Very high93.9Very high3 Ų348.6 Ų48.62%0.01622%0.223CC..Hα-helixtrans-66.4-32.1177.3-67171.9000112.3V205 F206 R207 E213 C214 L217 T219 F222V205-L209 HydrophobicContact CG1-CD1 3.7Å; V205-L209 HydrophobicContact CG1-CG 4.21Å; V205-L209 WeakPolarHBondContact O-CB 3.37Å; V205-L209 VanDerWaalsContact O-CG 3.27Å; V205-L209 WeakPolarHBondContact O-CG 3.49Å; V205-L209 PolarHBondContact O-N 3.27Å; F206-L209 PolarHBondContact O-N 2.96Å; R207-L209 VanDerWaalsContact C-N 3.34Å; R207-L209 PolarHBondContact O-N 3.36Å; L209-E213 PolarHBondContact O-N 3.44Å; L209-C214 HydrophobicContact CB-CB 4.22Å; L209-C214 HydrophobicContact CD2-CB 3.58Å; L209-C214 PolarHBondContact O-N 3.17Å; L209-L217 HydrophobicContact CD2-CB 3.94Å; L209-T219 HydrophobicContact CD1-CG2 4.47Å; L209-F222 HydrophobicContact CD1-CE2 4.21Å; L209-F222 HydrophobicContact CD2-CE2 4.45Å
210L92.8Very high93.7Very high47 Ų4750.1 Ų50.125%0.24623%0.231CC..Hα-helixtrans-73.6-50.6174.6-176.164.6000111.6F206 R207 Y208 T212 E213 L355F206-L210 WeakPolarHBondContact O-CB 3.28Å; F206-L210 PolarHBondContact O-N 3.26Å; R207-L210 WeakPolarHBondContact O-CB 3.01Å; R207-L210 PolarHBondContact O-N 2.98Å; R207-L210 VanDerWaalsContact O-N 3.12Å; Y208-L210 VanDerWaalsContact C-N 3.3Å; Y208-L210 PolarHBondContact O-N 3.44Å; L210-T212 PolarHBondContact O-N 2.82Å; L210-E213 PolarHBondContact O-N 2.81Å; L210-E213 VanDerWaalsContact O-N 3.08Å; L210-L355 HydrophobicContact CD1-CD1 3.99Å
211E93.9Very high93.7Very high79 Ų7941.8 Ų41.837%0.36920%0.2SC..Hα-helixtrans-57.7-35.3177.4-68.9167.5-129.400112.4R197 R207R197-E211 IonicContact CZ-OE1 3.44Å; R197-E211 IonicContact CZ-OE2 3.51Å; R197-E211 VanDerWaalsContact CZ-OE2 3.3Å; R197-E211 IonicContact NH1-OE1 3.58Å; R197-E211 IonicContact NH1-OE2 2.7Å; R197-E211 PolarHBondContact NH1-OE2 2.81Å; R197-E211 VanDerWaalsContact NH2-CD 3.34Å; R197-E211 IonicContact NH2-OE1 3.55Å; R197-E211 PolarHBondContact NH2-OE1 2.92Å; R197-E211 IonicContact NH2-OE2 2.74Å; R197-E211 PolarHBondContact NH2-OE2 2.79Å; R207-E211 WeakPolarHBondContact CB-OE1 3.42Å; R207-E211 WeakPolarHBondContact O-CB 3.42Å; R207-E211 WeakPolarHBondContact O-CG 3.36Å; R207-E211 PolarHBondContact O-N 3.25Å
212T93.6Very high93.8Very high1 Ų139 Ų391%0.00619%0.185CC..THydrogen-bonded Turntrans-92.25178.859.30000114.5C147 S148 G149 C151 L152 Y208 L210 C214C147-T212 HydrophobicContact CB-CG2 3.95Å; S148-T212 WeakPolarHBondContact O-CG2 3.37Å; G149-T212 WeakPolarHBondContact CA-O 3.25Å; C151-T212 HydrophobicContact CB-CG2 4.22Å; L152-T212 WeakPolarHBondContact CD1-O 3.41Å; Y208-T212 HydrophobicContact CD1-CG2 4.28Å; Y208-T212 HydrophobicContact CD2-CG2 4.19Å; Y208-T212 HydrophobicContact CE1-CG2 3.88Å; Y208-T212 HydrophobicContact CE2-CG2 3.82Å; Y208-T212 HydrophobicContact CG-CG2 4.43Å; Y208-T212 WeakPolarHBondContact O-CB 3.33Å; Y208-T212 WeakPolarHBondContact O-CG2 3.42Å; Y208-T212 PolarHBondContact O-N 2.61Å; Y208-T212 PolarHBondContact O-OG1 3.38Å; L210-T212 PolarHBondContact O-N 2.82Å; T212-C214 PolarHBondContact O-N 3.03Å
213E91.5Very high93.9Very high165 Ų16537.7 Ų37.777%0.77118%0.177SC*.THydrogen-bonded Turntrans50.335.1-175.3-60.2-171.5-17500113.9L209 L210 N215L209-E213 PolarHBondContact O-N 3.44Å; L210-E213 PolarHBondContact O-N 2.81Å; L210-E213 VanDerWaalsContact O-N 3.08Å; E213-N215 PolarHBondContact O-N 3.1Å; E213-N215 VanDerWaalsContact O-N 3.13Å
214C90.9Very high93.9Very high1 Ų135.7 Ų35.71%0.00717%0.167CC..  trans-66.6115.2-173-168.50000111.8L152 L209 T212 L217L152-C214 HydrophobicContact CD1-CB 3.66Å; L152-C214 HydrophobicContact CD2-CB 4.41Å; L209-C214 HydrophobicContact CB-CB 4.22Å; L209-C214 HydrophobicContact CD2-CB 3.58Å; L209-C214 PolarHBondContact O-N 3.17Å; T212-C214 PolarHBondContact O-N 3.03Å; C214-L217 PolarHBondContact SG-N 3.06Å
215N89Confident93.8Very high127 Ų12735.4 Ų35.468%0.67917%0.167SC*.SBendtrans-99.31.3-178.966.37.8000114.2E213 F218E213-N215 PolarHBondContact O-N 3.1Å; E213-N215 VanDerWaalsContact O-N 3.13Å; N215-F218 WeakPolarHBondContact O-CZ 3.23Å
216F89.3Confident93.6Very high36 Ų3637.9 Ų37.916%0.15818%0.182CC..SBendtrans-129.2-10.6-169.469-100.3000115.2L152 M153 M155 C171L152-F216 HydrophobicContact CB-CE1 4.18Å; L152-F216 HydrophobicContact CB-CZ 4.06Å; L152-F216 HydrophobicContact CD1-CE1 3.99Å; L152-F216 HydrophobicContact CD1-CZ 4.36Å; L152-F216 HydrophobicContact CD2-CZ 4.46Å; M153-F216 WeakPolarHBondContact O-CZ 3.43Å; M155-F216 HydrophobicContact CB-CB 4.26Å; M155-F216 HydrophobicContact CB-CD2 3.78Å; M155-F216 HydrophobicContact CB-CE2 4.28Å; M155-F216 HydrophobicContact CB-CG 3.98Å; M155-F216 HydrophobicContact CG-CD2 4.34Å; M155-F216 HydrophobicContact SD-CB 3.77Å; M155-F216 HydrophobicContact SD-CD2 4.04Å; M155-F216 HydrophobicContact SD-CG 4.27Å; C171-F216 HydrophobicContact CB-CE2 4.15Å
217L92.4Very high93.4Very high1 Ų145 Ų451%0.00521%0.21CC..  trans-124.9145.2167.7-73.1175.1000109.8L167 P168 C171 F173 L209 C214 N221 F222L167-L217 HydrophobicContact CB-CD2 3.77Å; P168-L217 HydrophobicContact CB-CD1 4.4Å; P168-L217 HydrophobicContact CG-CD2 4.21Å; C171-L217 HydrophobicContact CB-CD1 3.86Å; F173-L217 HydrophobicContact CD2-CD1 4.1Å; F173-L217 HydrophobicContact CE2-CD1 3.55Å; F173-L217 HydrophobicContact CZ-CD1 4.17Å; L209-L217 HydrophobicContact CD2-CB 3.94Å; C214-L217 PolarHBondContact SG-N 3.06Å; L217-N221 HydrophobicContact CD2-CB 4.32Å; L217-F222 HydrophobicContact CB-CE2 4.26Å; L217-F222 HydrophobicContact CD1-CE2 4.42Å; L217-F222 HydrophobicContact CD1-CZ 4.19Å
218F92.6Very high93.4Very high40 Ų4039.7 Ų39.718%0.17519%0.19CC..  trans-133.6165.8-174.7-50.8-59.8000111.7N215 D220 N221 F222 Q354N215-F218 WeakPolarHBondContact O-CZ 3.23Å; F218-D220 WeakPolarHBondContact CB-OD1 3.43Å; F218-D220 PolarHBondContact O-N 3.29Å; F218-D220 VanDerWaalsContact O-N 3.12Å; F218-N221 PolarHBondContact N-OD1 3.36Å; F218-N221 WeakPolarHBondContact O-CB 3.44Å; F218-N221 PolarHBondContact O-N 3Å; F218-N221 PolarHBondContact O-OD1 3.22Å; F218-F222 WeakPolarHBondContact O-CD2 3.41Å; F218-Q354 HydrophobicContact CE1-CB 3.7Å; F218-Q354 HydrophobicContact CZ-CB 4.11Å
219T94.3Very high93.2Very high2 Ų244.3 Ų44.31%0.01221%0.212CC..THydrogen-bonded Turntrans-61-20.3-177.942.40000114.3V202 F206 L209 Y331 R333 Q357V202-T219 HydrophobicContact CG1-CG2 4.18Å; F206-T219 HydrophobicContact CB-CG2 3.72Å; F206-T219 HydrophobicContact CD2-CG2 3.89Å; F206-T219 HydrophobicContact CG-CG2 4.24Å; L209-T219 HydrophobicContact CD1-CG2 4.47Å; T219-Y331 HydrophobicContact CG2-CD1 4.33Å; T219-R333 PolarHBondContact O-NH1 3.23Å; T219-Q357 PolarHBondContact OG1-NE2 3.27Å; T219-Q357 PolarHBondContact OG1-OE1 2.67Å
220D92.6Very high93.1Very high33 Ų3345.5 Ų45.518%0.17622%0.218CC..THydrogen-bonded Turntrans-77.3-17.8172.546.5-60000114.1L165 F218 K332L165-D220 WeakPolarHBondContact CD2-O 3.06Å; F218-D220 WeakPolarHBondContact CB-OD1 3.43Å; F218-D220 PolarHBondContact O-N 3.29Å; F218-D220 VanDerWaalsContact O-N 3.12Å; D220-K332 HydrophobicContact CB-CD 4.32Å; D220-K332 WeakPolarHBondContact OD1-CD 3.27Å; D220-K332 WeakPolarHBondContact OD1-CE 3.49Å; D220-K332 IonicContact OD1-NZ 3.35Å; D220-K332 PolarHBondContact OD1-NZ 3.04Å
221N94.8Very high93Very high9 Ų946.6 Ų46.65%0.04823%0.234CC..SBendtrans-84.1-9.3177.2-53.2120000114.2P164 L165 P168 L217 F218P164-N221 WeakPolarHBondContact O-CB 3.32Å; P164-N221 PolarHBondContact O-ND2 3.18Å; L165-N221 WeakPolarHBondContact CA-O 3.1Å; L165-N221 WeakPolarHBondContact CD2-O 3.2Å; P168-N221 HydrophobicContact CG-CB 4.03Å; P168-N221 VanDerWaalsContact CG-O 3.29Å; P168-N221 WeakPolarHBondContact CG-O 3.32Å; L217-N221 HydrophobicContact CD2-CB 4.32Å; F218-N221 PolarHBondContact N-OD1 3.36Å; F218-N221 WeakPolarHBondContact O-CB 3.44Å; F218-N221 PolarHBondContact O-N 3Å; F218-N221 PolarHBondContact O-OD1 3.22Å
222F96.6Very high92.7Very high0 Ų045.6 Ų45.60%023%0.226CC..  trans-109.7131.8-178-67.3-102.2000110.7P168 F173 Y191 V205 L209 L217 F218 F224 R333P168-F222 HydrophobicContact CB-CD1 4.2Å; P168-F222 HydrophobicContact CB-CE1 3.66Å; P168-F222 HydrophobicContact CB-CE2 4.34Å; P168-F222 HydrophobicContact CB-CZ 3.74Å; P168-F222 HydrophobicContact CG-CD1 4.07Å; P168-F222 HydrophobicContact CG-CD2 4.06Å; P168-F222 HydrophobicContact CG-CE1 3.9Å; P168-F222 HydrophobicContact CG-CE2 3.89Å; P168-F222 HydrophobicContact CG-CG 4.16Å; P168-F222 HydrophobicContact CG-CZ 3.81Å; F173-F222 AromaticContact CD1-CE1 3.64Å; F173-F222 HydrophobicContact CD1-CE1 3.64Å; F173-F222 AromaticContact CD1-CZ 3.96Å; F173-F222 HydrophobicContact CD1-CZ 3.96Å; F173-F222 AromaticContact CE1-CE1 3.83Å; F173-F222 HydrophobicContact CE1-CE1 3.83Å; F173-F222 AromaticContact CE1-CZ 3.74Å; F173-F222 HydrophobicContact CE1-CZ 3.74Å; F173-F222 HydrophobicContact CE2-CZ 4.42Å; F173-F222 HydrophobicContact CG-CE1 4.14Å; F173-F222 HydrophobicContact CG-CZ 4.36Å; F173-F222 HydrophobicContact CZ-CE1 4.49Å; F173-F222 AromaticContact CZ-CZ 3.99Å; F173-F222 HydrophobicContact CZ-CZ 3.99Å; Y191-F222 AromaticContact CD1-CD1 3.68Å; Y191-F222 HydrophobicContact CD1-CD1 3.68Å; Y191-F222 AromaticContact CD1-CE1 3.89Å; Y191-F222 HydrophobicContact CD1-CE1 3.89Å; Y191-F222 HydrophobicContact CD2-CD1 4.02Å; Y191-F222 AromaticContact CE1-CD1 3.65Å; Y191-F222 HydrophobicContact CE1-CD1 3.65Å; Y191-F222 HydrophobicContact CE1-CE1 4.15Å; Y191-F222 HydrophobicContact CE2-CB 4.29Å; Y191-F222 HydrophobicContact CE2-CD1 4.01Å; Y191-F222 AromaticContact CG-CD1 3.85Å; Y191-F222 HydrophobicContact CG-CD1 3.85Å; Y191-F222 HydrophobicContact CG-CE1 4.22Å; Y191-F222 AromaticContact CZ-CD1 3.81Å; V205-F222 HydrophobicContact CG1-CB 4.21Å; V205-F222 HydrophobicContact CG1-CD1 4.13Å; V205-F222 HydrophobicContact CG1-CD2 3.5Å; V205-F222 VanDerWaalsContact CG1-CD2 3.5Å; V205-F222 HydrophobicContact CG1-CE1 4.37Å; V205-F222 HydrophobicContact CG1-CE2 3.77Å; V205-F222 HydrophobicContact CG1-CG 3.69Å; V205-F222 HydrophobicContact CG1-CZ 4.2Å; V205-F222 HydrophobicContact CG2-CB 4.35Å; V205-F222 HydrophobicContact CG2-CD1 3.85Å; V205-F222 HydrophobicContact CG2-CE1 4.28Å; V205-F222 HydrophobicContact CG2-CG 4.05Å; L209-F222 HydrophobicContact CD1-CE2 4.21Å; L209-F222 HydrophobicContact CD2-CE2 4.45Å; L217-F222 HydrophobicContact CB-CE2 4.26Å; L217-F222 HydrophobicContact CD1-CE2 4.42Å; L217-F222 HydrophobicContact CD1-CZ 4.19Å; F218-F222 WeakPolarHBondContact O-CD2 3.41Å; F222-F224 HydrophobicContact CB-CE2 4.25Å; F222-R333 PolarHBondContact O-NH2 3.05Å
223S96.4Very high91.9Very high0 Ų052.8 Ų52.80%027%0.265CS..  trans-124.4123.6176.3176.70000111.4R175 Y191 N225 D388R175-S223 PolarHBondContact NE-O 2.63Å; R175-S223 PolarHBondContact NH2-O 2.91Å; Y191-S223 WeakPolarHBondContact CE2-O 3.48Å; Y191-S223 PolarHBondContact OH-N 3.22Å; Y191-S223 PolarHBondContact OH-O 2.89Å; S223-N225 PolarHBondContact OG-N 3.06Å; S223-D388 WeakPolarHBondContact CA-OD2 3.47Å; S223-D388 WeakPolarHBondContact CB-OD2 3.41Å; S223-D388 PolarHBondContact OG-OD1 3.48Å; S223-D388 VanDerWaalsContact OG-OD1 3.07Å; S223-D388 PolarHBondContact OG-OD2 3.09Å
224F95.4Very high91.2Very high39 Ų3948.7 Ų48.717%0.17124%0.243CC..  trans-95.66177.3-72.9-95.2000113.6V189 Y191 R200 N201 V202 V205 F222V189-F224 HydrophobicContact CB-CB 4.43Å; V189-F224 HydrophobicContact CB-CD1 4.36Å; V189-F224 WeakPolarHBondContact CB-O 3.06Å; V189-F224 HydrophobicContact CG1-CD1 4.37Å; V189-F224 VanDerWaalsContact CG2-O 3.32Å; V189-F224 WeakPolarHBondContact CG2-O 3.46Å; V189-F224 WeakPolarHBondContact O-CD1 3.41Å; Y191-F224 AromaticContact CD2-CE1 3.89Å; Y191-F224 HydrophobicContact CD2-CE1 3.89Å; Y191-F224 HydrophobicContact CD2-CE2 4.1Å; Y191-F224 AromaticContact CD2-CZ 3.63Å; Y191-F224 HydrophobicContact CD2-CZ 3.63Å; Y191-F224 HydrophobicContact CE2-CD2 4.46Å; Y191-F224 HydrophobicContact CE2-CE1 4.44Å; Y191-F224 HydrophobicContact CE2-CE2 4.15Å; Y191-F224 HydrophobicContact CE2-CZ 4.14Å; R200-F224 WeakPolarHBondContact O-CD1 3.42Å; N201-F224 VanDerWaalsContact C-CE2 3.44Å; N201-F224 VanDerWaalsContact O-CZ 3.32Å; N201-F224 WeakPolarHBondContact O-CZ 3.3Å; V202-F224 HydrophobicContact CG2-CD2 3.64Å; V202-F224 HydrophobicContact CG2-CE2 4.04Å; V205-F224 HydrophobicContact CG2-CE2 3.76Å; V205-F224 HydrophobicContact CG2-CZ 3.68Å; F222-F224 HydrophobicContact CB-CE2 4.25Å
225N93.9Very high90.6Very high32 Ų3254 Ų5417%0.17128%0.277CS..  trans-81124-179.8177.8-4.7000110.8R175 S223 Y227 V228 D388 Y682R175-N225 PolarHBondContact NH2-O 2.83Å; S223-N225 PolarHBondContact OG-N 3.06Å; N225-Y227 VanDerWaalsContact C-N 3.26Å; N225-Y227 PolarHBondContact O-N 2.71Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.49Å; N225-Y227 PolarHBondContact OD1-N 3.17Å; N225-V228 HydrophobicContact CB-CB 4.36Å; N225-V228 HydrophobicContact CB-CG2 3.84Å; N225-V228 WeakPolarHBondContact ND2-CG2 3.4Å; N225-V228 PolarHBondContact O-N 3.26Å; N225-D388 WeakPolarHBondContact CB-OD1 3.37Å; N225-D388 PolarHBondContact ND2-OD1 2.86Å; N225-D388 VanDerWaalsContact ND2-OD1 3.08Å; N225-Y682 WeakPolarHBondContact ND2-CD2 3.33Å
226T92.9Very high89.7Confident52 Ų5257.4 Ų57.432%0.31929%0.286SS..THydrogen-bonded Turntrans-63.9-27.4-178.7420000113.9L187 V189L187-T226 HydrophobicContact CB-CG2 4.06Å; L187-T226 VanDerWaalsContact O-CG2 3.24Å; L187-T226 WeakPolarHBondContact O-CG2 3.41Å; V189-T226 HydrophobicContact CG2-CG2 4.12Å
227Y92.6Very high89Confident162 Ų16261.4 Ų61.464%0.63531%0.306SS*.THydrogen-bonded Turntrans-79.6-18.7-178.8-57.1-68.4000113.4N225 Q229 R232 Y682N225-Y227 VanDerWaalsContact C-N 3.26Å; N225-Y227 PolarHBondContact O-N 2.71Å; N225-Y227 WeakPolarHBondContact OD1-CD2 3.49Å; N225-Y227 PolarHBondContact OD1-N 3.17Å; Y227-Q229 PolarHBondContact O-N 3.48Å; Y227-R232 PolarHBondContact O-NH2 3Å; Y227-Y682 PolarHBondContact O-OH 3.5Å
228V94.5Very high88.6Confident3 Ų370.8 Ų70.82%0.01835%0.346CS..  trans-72.5118.2179.7166.80000110.8L165 R175 N225 L230 D386 Y682L165-V228 HydrophobicContact CD1-CG1 3.71Å; R175-V228 PolarHBondContact NH1-O 3.37Å; N225-V228 HydrophobicContact CB-CB 4.36Å; N225-V228 HydrophobicContact CB-CG2 3.84Å; N225-V228 WeakPolarHBondContact ND2-CG2 3.4Å; N225-V228 PolarHBondContact O-N 3.26Å; V228-L230 HydrophobicContact CG1-CD2 4.27Å; V228-D386 WeakPolarHBondContact CA-OD2 3.24Å; V228-D386 HydrophobicContact CB-CB 4.41Å; V228-D386 HydrophobicContact CG1-CB 4.07Å; V228-D386 HydrophobicContact CG2-CB 4.29Å; V228-Y682 HydrophobicContact CG2-CD2 3.77Å; V228-Y682 HydrophobicContact CG2-CE2 3.59Å
229Q93.5Very high88.3Confident99 Ų9972.4 Ų72.446%0.46335%0.354SS..  trans-102.9121.5174.2-66.6-177-2.100110.5Y227 A231 R232 D386Y227-Q229 PolarHBondContact O-N 3.48Å; Q229-A231 PolarHBondContact O-N 2.73Å; Q229-R232 HydrophobicContact CB-CB 4.23Å; Q229-R232 VanDerWaalsContact CD-NH1 3.29Å; Q229-D386 PolarHBondContact N-OD2 3.28Å
230L92.8Very high88.2Confident28 Ų2876.3 Ų76.315%0.14738%0.378CS..THydrogen-bonded Turntrans-70.9-30.7-177.7-53.6-172.8000113.1N163 L165 Q166 I169 V228N163-L230 PolarHBondContact ND2-O 3.23Å; L165-L230 HydrophobicContact CB-CD2 3.62Å; Q166-L230 HydrophobicContact CG-CB 4.15Å; Q166-L230 PolarHBondContact NE2-O 3.39Å; I169-L230 HydrophobicContact CD1-CD1 3.75Å; I169-L230 HydrophobicContact CG1-CD1 3.54Å; V228-L230 HydrophobicContact CG1-CD2 4.27Å
231A88.8Confident88.3Confident70 Ų7076 Ų7658%0.57938%0.377SS*.THydrogen-bonded Turntrans-12665.3-177.700000109.9Q229 N233Q229-A231 PolarHBondContact O-N 2.73Å; A231-N233 PolarHBondContact O-N 3.1Å
232R88Confident88.3Confident57 Ų5778.7 Ų78.722%0.21540%0.397CS..  trans-80.799.1177-167.3-179.3-64.4-81.23.9109.9Y227 Q229 Y234 D386 Y682Y227-R232 PolarHBondContact O-NH2 3Å; Q229-R232 HydrophobicContact CB-CB 4.23Å; Q229-R232 VanDerWaalsContact CD-NH1 3.29Å; R232-Y234 HydrophobicContact CB-CE2 4.39Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.45Å; R232-Y234 HydrophobicContact CG-CE2 3.83Å; R232-D386 IonicContact CZ-OD1 3.29Å; R232-D386 IonicContact CZ-OD2 3.21Å; R232-D386 IonicContact NE-OD1 2.64Å; R232-D386 PolarHBondContact NE-OD1 2.96Å; R232-D386 IonicContact NE-OD2 3.76Å; R232-D386 PolarHBondContact NE-OD2 2.99Å; R232-D386 IonicContact NH2-OD1 3.59Å; R232-D386 IonicContact NH2-OD2 2.73Å; R232-D386 PolarHBondContact NH2-OD2 3.01Å; R232-Y682 PolarHBondContact NH2-OH 3.22Å; R232-Y682 VanDerWaalsContact NH2-OH 3.16Å
233N77.5Confident88.2Confident153 Ų15382.3 Ų82.382%0.81842%0.416SS*.  trans-65.2133.7175.1-70.3-17.5000110.8A231A231-N233 PolarHBondContact O-N 3.1Å
234Y77.4Confident88Confident78 Ų7888.1 Ų88.131%0.30645%0.451SS..  trans-124139.4168.3-78-75.7000109.1R232 K236 K684 A685 R686R232-Y234 HydrophobicContact CB-CE2 4.39Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.45Å; R232-Y234 HydrophobicContact CG-CE2 3.83Å; Y234-K236 PolarHBondContact O-N 3.37Å; Y234-K684 WeakPolarHBondContact OH-CE 3.31Å; Y234-A685 HydrophobicContact CE2-CB 3.67Å; Y234-A685 PolarHBondContact OH-O 3.44Å; Y234-R686 HydrophobicContact CD1-CG 4.23Å; Y234-R686 HydrophobicContact CD2-CG 3.75Å; Y234-R686 HydrophobicContact CE1-CB 4.34Å; Y234-R686 HydrophobicContact CE1-CG 4.2Å; Y234-R686 HydrophobicContact CE2-CB 4.24Å; Y234-R686 HydrophobicContact CE2-CG 3.67Å; Y234-R686 HydrophobicContact CG-CG 4.02Å
235P77.2Confident88.1Confident112 Ų11287.2 Ų87.273%0.72745%0.448SS*.  trans-60.1130.1167.827.1-33.1000108.6Q237P235-Q237 PolarHBondContact O-N 2.83Å; P235-Q237 VanDerWaalsContact O-N 3.09Å
236K70.1Confident88.2Confident200 Ų20086.2 Ų86.287%0.8744%0.443SS*.  trans-68.8107.6172.2-71-174.8178.3-1780108.1Y234Y234-K236 PolarHBondContact O-N 3.37Å
237Q75.4Confident88.3Confident120 Ų12083.8 Ų83.856%0.56143%0.428SS*.  trans-61.8150.6164-70.1-174.5-18.500109.1P235 E239 E260P235-Q237 PolarHBondContact O-N 2.83Å; P235-Q237 VanDerWaalsContact O-N 3.09Å; Q237-E239 PolarHBondContact O-N 3.24Å; Q237-E260 HydrophobicContact CB-CG 4.14Å; Q237-E260 VanDerWaalsContact OE1-CD 3.26Å
238K82.8Confident88.3Confident198 Ų19882.6 Ų82.686%0.86143%0.432SS*.  trans-77.491.7-179.4-172.1178.3179.9-1790109.2V240K238-V240 PolarHBondContact O-N 2.64Å
239E87.4Confident88.2Confident74 Ų7484.6 Ų84.635%0.34645%0.454SS..  trans-55.8123.2174.4-59.5179164.700109.7Q237 S242 C258 E260Q237-E239 PolarHBondContact O-N 3.24Å; E239-S242 WeakPolarHBondContact OE2-CB 3.39Å; E239-S242 PolarHBondContact OE2-OG 3.3Å; E239-C258 HydrophobicContact CG-CB 3.95Å; E239-C258 WeakPolarHBondContact OE1-CB 3.5Å; E239-E260 HydrophobicContact CG-CG 4.37Å
240V91.6Very high88.1Confident83 Ų8383.6 Ų83.650%0.50346%0.455SS..SBendtrans-77.1-36.9177.4-1750000109.9K238 N259K238-V240 PolarHBondContact O-N 2.64Å; V240-N259 PolarHBondContact N-O 2.79Å
241V94.5Very high88.2Confident27 Ų2782.4 Ų82.416%0.16445%0.448CS..EExtended strand (participates in β ladder)trans-144.9138.3173.5-170.70000108.4F257 C258 N259 K265V241-F257 HydrophobicContact CG1-CE1 4.31Å; V241-C258 CarbonylContact O-C 3.46Å; V241-C258 WeakPolarHBondContact O-CA 3.4Å; V241-N259 HydrophobicContact CB-CB 4.37Å; V241-N259 PolarHBondContact N-O 3.08Å; V241-N259 PolarHBondContact O-N 2.9Å; V241-K265 HydrophobicContact CG1-CG 3.84Å
242S94.9Very high88.2Confident65 Ų6581.6 Ų81.646%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-146.1166.8169.941.90000112.5E239 F257E239-S242 WeakPolarHBondContact OE2-CB 3.39Å; E239-S242 PolarHBondContact OE2-OG 3.3Å; S242-F257 CarbonylContact C-O 3.55Å; S242-F257 WeakPolarHBondContact CA-O 3.49Å; S242-F257 WeakPolarHBondContact CB-O 3.04Å
243D94.6Very high88.4Confident77 Ų7780 Ų8041%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-140.1140.7173.5-173.7-15.6000107.6D245 I246 F257D243-D245 PolarHBondContact OD1-N 3.4Å; D243-D245 VanDerWaalsContact OD1-N 3.11Å; D243-I246 HydrophobicContact CB-CG2 4.28Å; D243-F257 HydrophobicContact CB-CB 4.18Å; D243-F257 HydrophobicContact CB-CD1 3.96Å; D243-F257 PolarHBondContact N-O 2.83Å; D243-F257 PolarHBondContact O-N 3.42Å
244V93.4Very high89.2Confident121 Ų12174.1 Ų74.173%0.73341%0.405SS*.SBendtrans-75.8-34.1-176.2-176.20000111.1S256V244-S256 WeakPolarHBondContact O-CA 3.38Å
245D95.9Very high90.2Very high20 Ų2070.4 Ų70.411%0.10739%0.39CS..  trans-157.396.4-178.8-171.912.5000114.1D243 S247 N248 G249 P254 I255D243-D245 PolarHBondContact OD1-N 3.4Å; D243-D245 VanDerWaalsContact OD1-N 3.11Å; D245-S247 VanDerWaalsContact CG-OG 3.24Å; D245-S247 PolarHBondContact O-N 2.81Å; D245-S247 WeakPolarHBondContact OD1-CA 3.44Å; D245-S247 VanDerWaalsContact OD1-CB 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.1Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 2.79Å; D245-S247 PolarHBondContact OD2-OG 3.41Å; D245-S247 VanDerWaalsContact OD2-OG 3.07Å; D245-N248 PolarHBondContact O-N 3.26Å; D245-G249 WeakPolarHBondContact OD2-CA 3.44Å; D245-G249 PolarHBondContact OD2-N 3.06Å; D245-P254 HydrophobicContact CB-CB 4.01Å; D245-I255 WeakPolarHBondContact CA-O 3.31Å; D245-I255 PolarHBondContact OD1-N 2.9Å
246I96.3Very high91.1Very high12 Ų1266 Ų666%0.06236%0.362CS..THydrogen-bonded Turntrans-67-9.5175.976.5177.6000113.2D243 I255 F257 L266 F269 Y271 V371 F649D243-I246 HydrophobicContact CB-CG2 4.28Å; I246-I255 HydrophobicContact CD1-CG2 3.99Å; I246-I255 HydrophobicContact CG1-CB 4.07Å; I246-I255 HydrophobicContact CG1-CG2 3.81Å; I246-I255 WeakPolarHBondContact CG1-O 3.44Å; I246-I255 PolarHBondContact N-O 3.46Å; I246-F257 HydrophobicContact CG2-CB 3.45Å; I246-F257 VanDerWaalsContact CG2-CB 3.45Å; I246-F257 HydrophobicContact CG2-CG 4.31Å; I246-L266 HydrophobicContact CB-CD1 4.46Å; I246-L266 HydrophobicContact CD1-CD1 3.91Å; I246-L266 HydrophobicContact CG2-CD1 3.86Å; I246-F269 HydrophobicContact CD1-CZ 4.45Å; I246-Y271 HydrophobicContact CG1-CD2 4.48Å; I246-Y271 HydrophobicContact CG1-CE2 4.42Å; I246-V371 HydrophobicContact CD1-CB 4.29Å; I246-V371 HydrophobicContact CD1-CG2 3.58Å; I246-F649 HydrophobicContact CD1-CE2 4.26Å
247S95.3Very high92.3Very high1 Ų156.9 Ų56.91%0.00732%0.323CS..THydrogen-bonded Turntrans-84.6-10172.385.80000113.6D245 G249 V250 E251D245-S247 VanDerWaalsContact CG-OG 3.24Å; D245-S247 PolarHBondContact O-N 2.81Å; D245-S247 WeakPolarHBondContact OD1-CA 3.44Å; D245-S247 VanDerWaalsContact OD1-CB 3.25Å; D245-S247 WeakPolarHBondContact OD1-CB 3.1Å; D245-S247 PolarHBondContact OD1-N 3.15Å; D245-S247 PolarHBondContact OD1-OG 2.79Å; D245-S247 PolarHBondContact OD2-OG 3.41Å; D245-S247 VanDerWaalsContact OD2-OG 3.07Å; S247-G249 VanDerWaalsContact C-N 3.29Å; S247-G249 PolarHBondContact O-N 3.32Å; S247-V250 VanDerWaalsContact O-CB 3.31Å; S247-V250 WeakPolarHBondContact O-CB 3.44Å; S247-V250 VanDerWaalsContact O-CG2 3.22Å; S247-V250 WeakPolarHBondContact O-CG2 3.49Å; S247-V250 PolarHBondContact O-N 2.85Å; S247-E251 PolarHBondContact OG-N 3.39Å
248N93.4Very high93.3Very high136 Ų13651.2 Ų51.273%0.72730%0.296SS*.THydrogen-bonded Turntrans51.144.8-175.7-64.4-89.4000112.9D245 V250D245-N248 PolarHBondContact O-N 3.26Å; N248-V250 VanDerWaalsContact C-N 3.28Å; N248-V250 PolarHBondContact O-N 2.93Å
249G91.6Very high93.9Very high46 Ų4641.8 Ų41.847%0.47426%0.255SS..THydrogen-bonded Turntrans77.11.9178.600000115.9D245 S247 E251D245-G249 WeakPolarHBondContact OD2-CA 3.44Å; D245-G249 PolarHBondContact OD2-N 3.06Å; S247-G249 VanDerWaalsContact C-N 3.29Å; S247-G249 PolarHBondContact O-N 3.32Å; G249-E251 VanDerWaalsContact C-N 3.35Å
250V91.7Very high94.2Very high78 Ų7839.8 Ų39.847%0.47325%0.246SC..  trans-73.1-28.5179.5-179.90000111.7S247 N248 K273S247-V250 VanDerWaalsContact O-CB 3.31Å; S247-V250 WeakPolarHBondContact O-CB 3.44Å; S247-V250 VanDerWaalsContact O-CG2 3.22Å; S247-V250 WeakPolarHBondContact O-CG2 3.49Å; S247-V250 PolarHBondContact O-N 2.85Å; N248-V250 VanDerWaalsContact C-N 3.28Å; N248-V250 PolarHBondContact O-N 2.93Å; V250-K273 HydrophobicContact CG1-CB 3.9Å; V250-K273 HydrophobicContact CG1-CD 4.36Å; V250-K273 WeakPolarHBondContact O-CD 3.21Å; V250-K273 PolarHBondContact O-NZ 2.95Å
251E93.9Very high94.3Very high3 Ų340 Ų401%0.01424%0.243CC..SBendtrans-86.7148.9168.1-57.3-66.8-170.900111.7S247 G249 V253 I255 Y271 K273 P365S247-E251 PolarHBondContact OG-N 3.39Å; G249-E251 VanDerWaalsContact C-N 3.35Å; E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 WeakPolarHBondContact CB-O 3.41Å; E251-I255 HydrophobicContact CB-CG1 4.24Å; E251-I255 HydrophobicContact CG-CD1 4.37Å; E251-I255 HydrophobicContact CG-CG1 3.89Å; E251-Y271 HydrophobicContact CG-CE1 3.81Å; E251-Y271 WeakPolarHBondContact CG-OH 3.32Å; E251-Y271 VanDerWaalsContact OE1-CE1 3.32Å; E251-Y271 WeakPolarHBondContact OE1-CE1 3.34Å; E251-Y271 PolarHBondContact OE1-OH 2.81Å; E251-K273 WeakPolarHBondContact OE2-CD 3.4Å; E251-K273 WeakPolarHBondContact OE2-CE 3.42Å; E251-K273 WeakPolarHBondContact OE2-CG 3.29Å; E251-K273 IonicContact OE2-NZ 3.63Å; E251-K273 PolarHBondContact OE2-NZ 2.82Å; E251-P365 WeakPolarHBondContact OE2-CD 3.43Å
252S89.8Confident94.2Very high53 Ų5340.3 Ų40.337%0.37124%0.244SC..SBendtrans-65.3-38.6176.533.90000111.8K160 P365K160-S252 VanDerWaalsContact CE-O 3.32Å; K160-S252 WeakPolarHBondContact CE-O 3.47Å; S252-P365 PolarHBondContact OG-O 2.82Å
253V92.1Very high94.2Very high22 Ų2241.8 Ų41.813%0.13325%0.254CS..SBendtrans-104.8124.1173.8179.80000108.2E251 P365 R368E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 WeakPolarHBondContact CB-O 3.41Å; V253-P365 WeakPolarHBondContact CG2-O 3.5Å; V253-R368 HydrophobicContact CG1-CB 4.41Å; V253-R368 HydrophobicContact CG1-CG 3.85Å
254P94.7Very high94.2Very high31 Ų3145.6 Ų45.620%0.20126%0.263CS..  trans-53.7136.3177.8-30.137.5000113.4D245D245-P254 HydrophobicContact CB-CB 4.01Å
255I96.8Very high94.2Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-99.588.2176.4-51.8-59.3000108.4D245 I246 E251 L369 V371 V646D245-I255 WeakPolarHBondContact CA-O 3.31Å; D245-I255 PolarHBondContact OD1-N 2.9Å; I246-I255 HydrophobicContact CD1-CG2 3.99Å; I246-I255 HydrophobicContact CG1-CB 4.07Å; I246-I255 HydrophobicContact CG1-CG2 3.81Å; I246-I255 WeakPolarHBondContact CG1-O 3.44Å; I246-I255 PolarHBondContact N-O 3.46Å; E251-I255 HydrophobicContact CB-CG1 4.24Å; E251-I255 HydrophobicContact CG-CD1 4.37Å; E251-I255 HydrophobicContact CG-CG1 3.89Å; I255-L369 HydrophobicContact CD1-CB 4.21Å; I255-L369 HydrophobicContact CD1-CD1 4.4Å; I255-V371 HydrophobicContact CG2-CG2 4.39Å; I255-V646 HydrophobicContact CG2-CB 4.01Å; I255-V646 HydrophobicContact CG2-CG2 3.7Å
256S96.2Very high94.1Very high20 Ų2047.9 Ų47.914%0.1426%0.263CS..EExtended strand (participates in β ladder)trans-63.3158.3-18062.80000112.9V244 L369 Q370 V371V244-S256 WeakPolarHBondContact O-CA 3.38Å; S256-L369 PolarHBondContact N-O 3Å; S256-L369 PolarHBondContact OG-O 2.75Å; S256-Q370 CarbonylContact O-C 3.56Å; S256-Q370 VanDerWaalsContact O-CA 3.3Å; S256-Q370 WeakPolarHBondContact O-CA 3.49Å; S256-Q370 WeakPolarHBondContact OG-CA 3.29Å; S256-Q370 VanDerWaalsContact OG-CB 3.3Å; S256-Q370 WeakPolarHBondContact OG-CB 3.41Å; S256-Q370 WeakPolarHBondContact OG-CG 3.44Å; S256-V371 PolarHBondContact O-N 3.3Å
257F96.4Very high93.7Very high8 Ų850.7 Ų50.74%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-135.9141.8173.7158.8-102.7000111V241 S242 D243 I246 N259 L266 V371 W379V241-F257 HydrophobicContact CG1-CE1 4.31Å; S242-F257 CarbonylContact C-O 3.55Å; S242-F257 WeakPolarHBondContact CA-O 3.49Å; S242-F257 WeakPolarHBondContact CB-O 3.04Å; D243-F257 HydrophobicContact CB-CB 4.18Å; D243-F257 HydrophobicContact CB-CD1 3.96Å; D243-F257 PolarHBondContact N-O 2.83Å; D243-F257 PolarHBondContact O-N 3.42Å; I246-F257 HydrophobicContact CG2-CB 3.45Å; I246-F257 VanDerWaalsContact CG2-CB 3.45Å; I246-F257 HydrophobicContact CG2-CG 4.31Å; F257-N259 HydrophobicContact CZ-CB 4.23Å; F257-L266 HydrophobicContact CB-CD1 4.33Å; F257-L266 HydrophobicContact CD1-CG 4.41Å; F257-L266 HydrophobicContact CD2-CD1 3.77Å; F257-L266 HydrophobicContact CD2-CD2 3.79Å; F257-L266 HydrophobicContact CD2-CG 3.64Å; F257-L266 HydrophobicContact CE1-CG 4.37Å; F257-L266 HydrophobicContact CE2-CD1 4.25Å; F257-L266 HydrophobicContact CE2-CD2 3.56Å; F257-L266 HydrophobicContact CE2-CG 3.58Å; F257-L266 HydrophobicContact CG-CD1 3.95Å; F257-L266 HydrophobicContact CG-CG 4.07Å; F257-L266 HydrophobicContact CZ-CD2 4.29Å; F257-L266 HydrophobicContact CZ-CG 3.97Å; F257-V371 CarbonylContact C-O 3.55Å; F257-V371 VanDerWaalsContact CA-O 3.26Å; F257-V371 WeakPolarHBondContact CA-O 3.25Å; F257-V371 HydrophobicContact CB-CB 4.49Å; F257-V371 HydrophobicContact CD2-CB 4.17Å; F257-V371 HydrophobicContact CD2-CG1 4.14Å; F257-V371 WeakPolarHBondContact CD2-O 3.29Å; F257-W379 AromaticContact CE2-CE3 3.88Å; F257-W379 HydrophobicContact CE2-CE3 3.88Å; F257-W379 AromaticContact CE2-CH2 3.98Å; F257-W379 HydrophobicContact CE2-CH2 3.98Å; F257-W379 AromaticContact CE2-CZ3 3.42Å; F257-W379 HydrophobicContact CE2-CZ3 3.42Å; F257-W379 VanDerWaalsContact CE2-CZ3 3.42Å; F257-W379 AromaticContact CZ-CH2 3.95Å; F257-W379 HydrophobicContact CZ-CH2 3.95Å; F257-W379 AromaticContact CZ-CZ3 3.82Å; F257-W379 HydrophobicContact CZ-CZ3 3.82Å
258C95.3Very high93.5Very high0 Ų060.4 Ų60.40%033%0.327CS..EExtended strand (participates in β ladder)trans-143.5156.7171.169.80000113E239 V241 Q370 V371 F372 K373 R382E239-C258 HydrophobicContact CG-CB 3.95Å; E239-C258 WeakPolarHBondContact OE1-CB 3.5Å; V241-C258 CarbonylContact O-C 3.46Å; V241-C258 WeakPolarHBondContact O-CA 3.4Å; C258-Q370 PolarHBondContact SG-NE2 2.75Å; C258-Q370 VanDerWaalsContact SG-NE2 3.39Å; C258-V371 PolarHBondContact N-O 3.35Å; C258-F372 VanDerWaalsContact O-CA 3.31Å; C258-F372 WeakPolarHBondContact O-CA 3.29Å; C258-K373 PolarHBondContact O-N 3.16Å; C258-R382 PolarHBondContact SG-NH2 3.48Å
259N95.6Very high93.5Very high0 Ų055.8 Ų55.80%030%0.301CS..EExtended strand (participates in β ladder)trans-129.6113.3167.5-166-17.1000108.2V240 V241 F257 I261 D262 R264 K373 W379V240-N259 PolarHBondContact N-O 2.79Å; V241-N259 HydrophobicContact CB-CB 4.37Å; V241-N259 PolarHBondContact N-O 3.08Å; V241-N259 PolarHBondContact O-N 2.9Å; F257-N259 HydrophobicContact CZ-CB 4.23Å; N259-I261 PolarHBondContact OD1-N 2.86Å; N259-I261 VanDerWaalsContact OD1-N 3.09Å; N259-D262 PolarHBondContact ND2-O 3.04Å; N259-D262 PolarHBondContact ND2-OD1 3.07Å; N259-D262 PolarHBondContact OD1-N 3.26Å; N259-D262 PolarHBondContact OD1-O 2.73Å; N259-R264 PolarHBondContact ND2-O 3.19Å; N259-K373 HydrophobicContact CB-CB 4.34Å; N259-K373 WeakPolarHBondContact OD1-CB 3.36Å; N259-K373 WeakPolarHBondContact OD1-CG 3.31Å; N259-W379 HydrophobicContact CB-CZ3 4.43Å
260E94.3Very high93.6Very high33 Ų3359.4 Ų59.415%0.15430%0.304CS..SBendtrans-99.83.1-178.7-68.2154.5153.200111.3Q237 E239 R382 R686Q237-E260 HydrophobicContact CB-CG 4.14Å; Q237-E260 VanDerWaalsContact OE1-CD 3.26Å; E239-E260 HydrophobicContact CG-CG 4.37Å; E260-R382 IonicContact OE1-CZ 3.25Å; E260-R382 IonicContact OE1-NH1 2.75Å; E260-R382 IonicContact OE1-NH2 2.76Å; E260-R382 PolarHBondContact OE1-NH2 3.43Å; E260-R382 IonicContact OE2-CZ 3.73Å; E260-R382 IonicContact OE2-NH1 3.53Å; E260-R382 PolarHBondContact OE2-NH1 2.85Å; E260-R382 IonicContact OE2-NH2 3.83Å; E260-R382 PolarHBondContact OE2-NH2 2.82Å; E260-R686 IonicContact OE1-NH1 3.31Å
261I93.9Very high93.8Very high88 Ų8856.9 Ų56.945%0.45129%0.286SS..SBendtrans-121.5-49.3-169.3-55.6-175000112.7N259 K373 E375N259-I261 PolarHBondContact OD1-N 2.86Å; N259-I261 VanDerWaalsContact OD1-N 3.09Å; I261-K373 HydrophobicContact CB-CG 4.04Å; I261-K373 HydrophobicContact CD1-CB 4.5Å; I261-K373 HydrophobicContact CD1-CG 4.08Å; I261-K373 HydrophobicContact CG1-CG 4.29Å; I261-E375 HydrophobicContact CD1-CB 4.48Å; I261-E375 HydrophobicContact CD1-CG 3.92Å
262D93.3Very high93.9Very high33 Ų3359 Ų5918%0.17629%0.294CS..  trans-139.1175.2-17770.834.6000112.4N259 R264N259-D262 PolarHBondContact ND2-O 3.04Å; N259-D262 PolarHBondContact ND2-OD1 3.07Å; N259-D262 PolarHBondContact OD1-N 3.26Å; N259-D262 PolarHBondContact OD1-O 2.73Å; D262-R264 VanDerWaalsContact C-N 3.27Å; D262-R264 PolarHBondContact O-N 2.8Å; D262-R264 WeakPolarHBondContact OD1-CB 3.21Å; D262-R264 WeakPolarHBondContact OD1-CG 3.38Å; D262-R264 PolarHBondContact OD1-N 2.64Å; D262-R264 WeakPolarHBondContact OD2-CD 3.48Å; D262-R264 IonicContact OD2-CZ 3.17Å; D262-R264 IonicContact OD2-NE 2.63Å; D262-R264 IonicContact OD2-NH1 2.73Å; D262-R264 PolarHBondContact OD2-NH1 2.73Å
263S94.3Very high94Very high95 Ų9559.6 Ų59.666%0.66429%0.29SS*.SBendtrans-848.1-178.256.50000114.4
264R94.6Very high94Very high158 Ų15860.8 Ų60.860%0.59630%0.297SS*.PPolyproline II helixtrans-75.7141.2-175.7-59.5172.9175.8143-11.6111.2N259 D262 W379N259-R264 PolarHBondContact ND2-O 3.19Å; D262-R264 VanDerWaalsContact C-N 3.27Å; D262-R264 PolarHBondContact O-N 2.8Å; D262-R264 WeakPolarHBondContact OD1-CB 3.21Å; D262-R264 WeakPolarHBondContact OD1-CG 3.38Å; D262-R264 PolarHBondContact OD1-N 2.64Å; D262-R264 WeakPolarHBondContact OD2-CD 3.48Å; D262-R264 IonicContact OD2-CZ 3.17Å; D262-R264 IonicContact OD2-NE 2.63Å; D262-R264 IonicContact OD2-NH1 2.73Å; D262-R264 PolarHBondContact OD2-NH1 2.73Å; R264-W379 HydrophobicContact CB-CH2 4.39Å; R264-W379 HydrophobicContact CB-CZ2 4.36Å; R264-W379 WeakPolarHBondContact O-CH2 3.33Å
265K94Very high93.8Very high157 Ų15760.1 Ų60.168%0.68329%0.292SS*.PPolyproline II helixtrans-92.3165170.2-74.5177.3179.1-174.40110.8V241 W379V241-K265 HydrophobicContact CG1-CG 3.84Å; K265-W379 WeakPolarHBondContact O-CZ2 3.16Å
266L92.8Very high93.4Very high31 Ų3164.8 Ų64.816%0.16231%0.31CS..PPolyproline II helixtrans-59.6142.7167.2-65.1-179.7000110.4I246 F257 V371 W379 F649I246-L266 HydrophobicContact CB-CD1 4.46Å; I246-L266 HydrophobicContact CD1-CD1 3.91Å; I246-L266 HydrophobicContact CG2-CD1 3.86Å; F257-L266 HydrophobicContact CB-CD1 4.33Å; F257-L266 HydrophobicContact CD1-CG 4.41Å; F257-L266 HydrophobicContact CD2-CD1 3.77Å; F257-L266 HydrophobicContact CD2-CD2 3.79Å; F257-L266 HydrophobicContact CD2-CG 3.64Å; F257-L266 HydrophobicContact CE1-CG 4.37Å; F257-L266 HydrophobicContact CE2-CD1 4.25Å; F257-L266 HydrophobicContact CE2-CD2 3.56Å; F257-L266 HydrophobicContact CE2-CG 3.58Å; F257-L266 HydrophobicContact CG-CD1 3.95Å; F257-L266 HydrophobicContact CG-CG 4.07Å; F257-L266 HydrophobicContact CZ-CD2 4.29Å; F257-L266 HydrophobicContact CZ-CG 3.97Å; L266-V371 HydrophobicContact CD1-CG1 4.43Å; L266-V371 HydrophobicContact CD2-CG1 3.95Å; L266-W379 HydrophobicContact CD2-CD2 3.67Å; L266-W379 HydrophobicContact CD2-CE3 3.92Å; L266-W379 HydrophobicContact CD2-CG 4.04Å; L266-W379 HydrophobicContact CD2-CZ2 4.28Å; L266-W379 HydrophobicContact CD2-CZ3 4.34Å; L266-F649 HydrophobicContact CD1-CZ 4.31Å; L266-F649 HydrophobicContact CD2-CE1 4.1Å; L266-F649 HydrophobicContact CD2-CZ 4.18Å
267P89Confident92.9Very high71 Ų7165.5 Ų65.546%0.46131%0.314SS..PPolyproline II helixtrans-66.7142.5171.929.5-34.8000110.1F269P267-F269 WeakPolarHBondContact O-CD1 3.49Å; P267-F269 PolarHBondContact O-N 3.5Å
268Q89.5Confident92.2Very high205 Ų20568.5 Ų68.596%0.95833%0.325SS*.PPolyproline II helixtrans-57.8128.6-179-167.9179.312.400111.4
269F93.2Very high91.2Very high40 Ų4069.1 Ų69.118%0.17533%0.33CS..  trans-152.1158.1175.576.3-74.3000109.9I246 P267 Y271 R648 F649I246-F269 HydrophobicContact CD1-CZ 4.45Å; P267-F269 WeakPolarHBondContact O-CD1 3.49Å; P267-F269 PolarHBondContact O-N 3.5Å; F269-Y271 HydrophobicContact CE2-CD2 4.04Å; F269-Y271 HydrophobicContact CZ-CD2 4.07Å; F269-R648 VanDerWaalsContact CG-NH1 3.31Å; F269-F649 HydrophobicContact CE1-CE2 4.08Å; F269-F649 AromaticContact CE1-CZ 3.9Å; F269-F649 HydrophobicContact CE1-CZ 3.9Å; F269-F649 AromaticContact CZ-CE2 3.82Å; F269-F649 HydrophobicContact CZ-CE2 3.82Å; F269-F649 HydrophobicContact CZ-CZ 4.11Å
270K94.8Very high90Very high121 Ų12170.7 Ų70.753%0.52634%0.336SS..EExtended strand (participates in β ladder)trans-87.1116.5175.7-176.3172.5-174.3170.60110.4R272 K642 E643 G644K270-R272 HydrophobicContact CG-CG 4.49Å; K270-K642 PolarHBondContact N-O 3.28Å; K270-E643 HydrophobicContact CB-CB 3.88Å; K270-E643 HydrophobicContact CG-CB 4.5Å; K270-E643 CarbonylContact O-C 3.58Å; K270-E643 VanDerWaalsContact O-CA 3.25Å; K270-E643 WeakPolarHBondContact O-CA 3.31Å; K270-G644 PolarHBondContact O-N 3.42Å
271Y96.4Very high88.7Confident26 Ų2673.2 Ų73.210%0.10235%0.351CS..EExtended strand (participates in β ladder)trans-66134.9174.1-160.5-83.4000110.6I246 E251 F269 G644 N645 V646I246-Y271 HydrophobicContact CG1-CD2 4.48Å; I246-Y271 HydrophobicContact CG1-CE2 4.42Å; E251-Y271 HydrophobicContact CG-CE1 3.81Å; E251-Y271 WeakPolarHBondContact CG-OH 3.32Å; E251-Y271 VanDerWaalsContact OE1-CE1 3.32Å; E251-Y271 WeakPolarHBondContact OE1-CE1 3.34Å; E251-Y271 PolarHBondContact OE1-OH 2.81Å; F269-Y271 HydrophobicContact CE2-CD2 4.04Å; F269-Y271 HydrophobicContact CZ-CD2 4.07Å; Y271-G644 CarbonylContact C-O 3.56Å; Y271-G644 VanDerWaalsContact CA-O 3.28Å; Y271-G644 WeakPolarHBondContact CA-O 3.41Å; Y271-N645 HydrophobicContact CE1-CB 4.1Å; Y271-N645 HydrophobicContact CE2-CB 4.28Å; Y271-V646 PolarHBondContact OH-N 3.46Å
272R94.4Very high87.4Confident48 Ų4872.9 Ų72.918%0.18135%0.349CS..  trans-141.8100.9-177.6-71.5-68.8-156.4157.312.5110.7K270 T274 S397 E643 G644 N645K270-R272 HydrophobicContact CG-CG 4.49Å; R272-T274 VanDerWaalsContact C-N 3.26Å; R272-T274 PolarHBondContact O-N 3.36Å; R272-S397 WeakPolarHBondContact O-CB 3.45Å; R272-S397 PolarHBondContact O-OG 3.42Å; R272-E643 HydrophobicContact CG-CB 3.9Å; R272-E643 HydrophobicContact CG-CG 4.33Å; R272-E643 IonicContact CZ-OE2 3.71Å; R272-E643 IonicContact NE-OE2 2.8Å; R272-E643 PolarHBondContact NE-OE2 3.31Å; R272-E643 IonicContact NH2-OE2 3.71Å; R272-E643 PolarHBondContact NH2-OE2 3.42Å; R272-G644 PolarHBondContact N-O 2.99Å; R272-N645 WeakPolarHBondContact O-CB 3.35Å
273K92.9Very high85.9Confident65 Ų6572 Ų7228%0.28335%0.345SS..SBendtrans-56.2-36.3177.9-179.4167.6-168.2159.50114V250 E251 I395V250-K273 HydrophobicContact CG1-CB 3.9Å; V250-K273 HydrophobicContact CG1-CD 4.36Å; V250-K273 WeakPolarHBondContact O-CD 3.21Å; V250-K273 PolarHBondContact O-NZ 2.95Å; E251-K273 WeakPolarHBondContact OE2-CD 3.4Å; E251-K273 WeakPolarHBondContact OE2-CE 3.42Å; E251-K273 WeakPolarHBondContact OE2-CG 3.29Å; E251-K273 IonicContact OE2-NZ 3.63Å; E251-K273 PolarHBondContact OE2-NZ 2.82Å; K273-I395 WeakPolarHBondContact O-CD1 3.44Å
274T91Very high84.1Confident47 Ų4773.4 Ų73.429%0.28835%0.346SS..SBendtrans-118.2155.2178.361.80000111.7R272 S397R272-T274 VanDerWaalsContact C-N 3.26Å; R272-T274 PolarHBondContact O-N 3.36Å; T274-S397 PolarHBondContact O-OG 2.93Å; T274-S397 VanDerWaalsContact O-OG 3.05Å
275V90.9Very high82.2Confident17 Ų1770.3 Ų70.310%0.10334%0.336CS..  trans-53.2145.8172176.20000111.1S397 L400 L638 L674V275-S397 PolarHBondContact N-OG 3.22Å; V275-L400 HydrophobicContact CG1-CB 3.87Å; V275-L400 HydrophobicContact CG1-CD2 4.29Å; V275-L638 HydrophobicContact CB-CD2 4.41Å; V275-L638 HydrophobicContact CG1-CD2 3.63Å; V275-L638 HydrophobicContact CG2-CD2 3.87Å; V275-L674 HydrophobicContact CG2-CD2 4.42Å
276W88.1Confident80.1Confident98 Ų9867.9 Ų67.937%0.37134%0.339SS..BIsolated β-bridgetrans-128.8128.6-177.6-178.9-105000113.1G398 R399 L400W276-G398 PolarHBondContact N-O 2.86Å; W276-R399 CarbonylContact O-C 3.56Å; W276-R399 VanDerWaalsContact O-CA 3.28Å; W276-R399 WeakPolarHBondContact O-CA 3.43Å; W276-L400 PolarHBondContact O-N 3.42Å
277P87.3Confident78.3Confident35 Ų3568.3 Ų68.323%0.22735%0.345CS..SBendcis-62.5163.5-12.830.5-36.7000111.3L282P277-L282 HydrophobicContact CG-CD1 4.13Å; P277-L282 HydrophobicContact CG-CD2 3.98Å; P277-L282 HydrophobicContact CG-CG 4.13Å
278R80.9Confident76.9Confident71 Ų7166.7 Ų66.727%0.26833%0.332SS..  trans-69154176.2-69.8-162.9-174.7-155.917.4111.6Y280 N281 E666R278-Y280 VanDerWaalsContact C-N 3.31Å; R278-Y280 HydrophobicContact CB-CD1 4.04Å; R278-Y280 HydrophobicContact CB-CE1 3.74Å; R278-Y280 VanDerWaalsContact CD-CE1 3.41Å; R278-Y280 HydrophobicContact CG-CE1 4.26Å; R278-Y280 PolarHBondContact O-N 3.49Å; R278-N281 PolarHBondContact O-N 2.92Å; R278-N281 VanDerWaalsContact O-N 3.16Å; R278-E666 WeakPolarHBondContact CD-OE1 3.34Å; R278-E666 IonicContact CZ-OE1 3.44Å; R278-E666 IonicContact NE-OE1 3.89Å; R278-E666 IonicContact NH1-OE1 2.71Å; R278-E666 PolarHBondContact NH1-OE1 2.82Å
279A74.4Confident75.7Confident12 Ų1257.8 Ų57.810%0.09929%0.29CS..G310 helixtrans-61-38.9-171.700000112.5N281 L282 T283 T667 F672A279-N281 PolarHBondContact O-N 3.44Å; A279-L282 PolarHBondContact O-N 3.49Å; A279-T283 PolarHBondContact O-N 3.24Å; A279-T283 PolarHBondContact O-OG1 3.48Å; A279-T667 HydrophobicContact CB-CG2 3.77Å; A279-F672 HydrophobicContact CB-CB 3.82Å; A279-F672 HydrophobicContact CB-CG 4.34Å
280Y69.6Low74.3Confident33 Ų3361 Ų6113%0.12931%0.313CS..G310 helixtrans-62-28.8-179.660-104.1000113.6I54 E58 R278 L282 T283 E666I54-Y280 HydrophobicContact CD1-CD2 4.08Å; I54-Y280 HydrophobicContact CD1-CE2 4.09Å; I54-Y280 HydrophobicContact CG1-CE2 4.37Å; I54-Y280 HydrophobicContact CG2-CE2 3.79Å; E58-Y280 PolarHBondContact OE1-OH 3.15Å; R278-Y280 VanDerWaalsContact C-N 3.31Å; R278-Y280 HydrophobicContact CB-CD1 4.04Å; R278-Y280 HydrophobicContact CB-CE1 3.74Å; R278-Y280 VanDerWaalsContact CD-CE1 3.41Å; R278-Y280 HydrophobicContact CG-CE1 4.26Å; R278-Y280 PolarHBondContact O-N 3.49Å; Y280-L282 PolarHBondContact O-N 3.02Å; Y280-T283 WeakPolarHBondContact CA-OG1 3.48Å; Y280-T283 PolarHBondContact O-N 2.97Å; Y280-T283 PolarHBondContact O-OG1 3.32Å; Y280-E666 HydrophobicContact CD1-CB 4.24Å; Y280-E666 HydrophobicContact CD1-CG 4.38Å; Y280-E666 WeakPolarHBondContact CD1-OE2 3.43Å
281N67.8Low73.2Confident87 Ų8757.2 Ų57.247%0.46530%0.299SS..G310 helixtrans-74.6-10.5176.1-71.7-15.6000113.4R278 A279R278-N281 PolarHBondContact O-N 2.92Å; R278-N281 VanDerWaalsContact O-N 3.16Å; A279-N281 PolarHBondContact O-N 3.44Å
282L66.1Low72.8Confident80 Ų8059 Ų5942%0.41932%0.315SS..G310 helixtrans-107.9-5.3176.6-59.5-176.9000113.1P277 A279 Y280 L400 F672P277-L282 HydrophobicContact CG-CD1 4.13Å; P277-L282 HydrophobicContact CG-CD2 3.98Å; P277-L282 HydrophobicContact CG-CG 4.13Å; A279-L282 PolarHBondContact O-N 3.49Å; Y280-L282 PolarHBondContact O-N 3.02Å; L282-L400 HydrophobicContact CD1-CD2 3.6Å; L282-L400 HydrophobicContact CD1-CG 4.43Å; L282-F672 HydrophobicContact CB-CE2 4.07Å; L282-F672 HydrophobicContact CB-CZ 3.86Å; L282-F672 HydrophobicContact CD1-CE1 3.99Å; L282-F672 HydrophobicContact CD1-CZ 4.09Å
283T61.3Low72.7Confident14 Ų1457 Ų579%0.08631%0.308CS..SBendtrans-110.7135.1-177.254.20000111.5A279 Y280 F285 S287 T667 N669 F672A279-T283 PolarHBondContact O-N 3.24Å; A279-T283 PolarHBondContact O-OG1 3.48Å; Y280-T283 WeakPolarHBondContact CA-OG1 3.48Å; Y280-T283 PolarHBondContact O-N 2.97Å; Y280-T283 PolarHBondContact O-OG1 3.32Å; T283-F285 PolarHBondContact O-N 2.77Å; T283-S287 WeakPolarHBondContact CB-OG 3.33Å; T283-T667 HydrophobicContact CG2-CG2 4.35Å; T283-N669 HydrophobicContact CG2-CB 4.05Å; T283-F672 HydrophobicContact CG2-CD2 3.62Å; T283-F672 HydrophobicContact CG2-CE2 3.67Å
284N57.7Low72.7Confident126 Ų12659.3 Ų59.367%0.67432%0.323SS*.  trans-60.9134.7166.3-171.9-8.6000109.5S286 S287N284-S286 PolarHBondContact O-N 2.7Å; N284-S287 PolarHBondContact O-N 3.06Å; N284-S287 PolarHBondContact O-OG 3.47Å
285F54.1Low72.8Confident92 Ų9258 Ų5840%0.40432%0.316SS..G310 helixtrans-50.7-26.4-173.9-71.3-90.5000114.5K47 T283 S287 M288K47-F285 HydrophobicContact CG-CD1 4.44Å; T283-F285 PolarHBondContact O-N 2.77Å; F285-S287 PolarHBondContact O-N 2.8Å; F285-S287 VanDerWaalsContact O-N 3.09Å; F285-M288 HydrophobicContact CD1-SD 3.78Å; F285-M288 HydrophobicContact CE1-SD 4.46Å; F285-M288 WeakPolarHBondContact O-CB 3.46Å; F285-M288 WeakPolarHBondContact O-CG 3.47Å; F285-M288 PolarHBondContact O-N 2.83Å; F285-M288 VanDerWaalsContact O-N 3.11Å
286S50.3Low72.8Confident106 Ų10661 Ų6174%0.74134%0.338SS*.G310 helixtrans-56.8-19.3172.5-163.60000114.2N284N284-S286 PolarHBondContact O-N 2.7Å
287S54.3Low72.8Confident40 Ų4061 Ų6128%0.2834%0.342SS..G310 helixtrans-105.418.8178.561.90000114.7T283 N284 F285 T667T283-S287 WeakPolarHBondContact CB-OG 3.33Å; N284-S287 PolarHBondContact O-N 3.06Å; N284-S287 PolarHBondContact O-OG 3.47Å; F285-S287 PolarHBondContact O-N 2.8Å; F285-S287 VanDerWaalsContact O-N 3.09Å; S287-T667 PolarHBondContact O-OG1 3.42Å
288M60.9Low72.9Confident38 Ų3859.3 Ų59.319%0.18733%0.331CS..SBendtrans-71.7174.9160.8-61.7-168.889.800110.5I50 F285 T290I50-M288 HydrophobicContact CG2-CE 3.87Å; I50-M288 HydrophobicContact CG2-SD 4.18Å; F285-M288 HydrophobicContact CD1-SD 3.78Å; F285-M288 HydrophobicContact CE1-SD 4.46Å; F285-M288 WeakPolarHBondContact O-CB 3.46Å; F285-M288 WeakPolarHBondContact O-CG 3.47Å; F285-M288 PolarHBondContact O-N 2.83Å; F285-M288 VanDerWaalsContact O-N 3.11Å; M288-T290 PolarHBondContact O-N 2.92Å
289F63.3Low73.5Confident17 Ų1756.1 Ų56.18%0.07532%0.319CS..  trans-59108-175.3-83.3-109.8000112.2D291 E344 S346 L348 V665 H668F289-D291 VanDerWaalsContact C-N 3.33Å; F289-E344 WeakPolarHBondContact CE1-O 3.46Å; F289-S346 VanDerWaalsContact CD1-CB 3.48Å; F289-S346 WeakPolarHBondContact CD1-OG 3.47Å; F289-L348 HydrophobicContact CB-CD1 4.01Å; F289-L348 WeakPolarHBondContact O-CD1 3.08Å; F289-V665 WeakPolarHBondContact CE2-O 3.33Å; F289-H668 AromaticContact CD1-CD2 3.61Å; F289-H668 AromaticContact CD1-CE1 3.9Å; F289-H668 AromaticContact CD1-NE2 3Å; F289-H668 WeakPolarHBondContact CD1-NE2 3.49Å; F289-H668 AromaticContact CE1-CD2 3.59Å; F289-H668 AromaticContact CE1-NE2 3.24Å; F289-H668 WeakPolarHBondContact CE1-NE2 3.33Å; F289-H668 AromaticContact CE2-CD2 3.99Å; F289-H668 AromaticContact CG-CD2 3.82Å; F289-H668 AromaticContact CG-NE2 3.53Å; F289-H668 AromaticContact CZ-CD2 3.78Å; F289-H668 AromaticContact CZ-NE2 3.94Å
290T63.4Low74.3Confident108 Ų10858.3 Ų58.366%0.66333%0.329SS*.SBendtrans-67.4-36.3167.842.40000112M288 H668M288-T290 PolarHBondContact O-N 2.92Å; T290-H668 PolarHBondContact OG1-ND1 3.11Å
291D72.8Confident75.4Confident42 Ų4259 Ų5923%0.22534%0.335CS..  trans-102.2130.3-176.2-56.8-104.8000109.7F289 L310 H668F289-D291 VanDerWaalsContact C-N 3.33Å; D291-L310 HydrophobicContact CB-CD2 4.42Å; D291-H668 IonicContact OD2-CE1 2.91Å
292S87.7Confident76.4Confident64 Ų6456.6 Ų56.645%0.44832%0.322SS..  trans-133.9158.3169.763.10000109.4
293C92.1Very high77.6Confident4 Ų457.7 Ų57.73%0.02733%0.332CS..  trans-122.1152.3176.866.90000111.5C299 A306 C349 K350C293-C299 VanDerWaalsContact SG-SG 3.62Å; C293-A306 HydrophobicContact CB-CB 4.24Å; C293-C349 PolarHBondContact N-SG 3.07Å; C293-C349 VanDerWaalsContact N-SG 3.43Å; C293-C349 CarbonylContact O-C 3.6Å; C293-C349 WeakPolarHBondContact O-CA 3.49Å; C293-C349 WeakPolarHBondContact O-CB 3.49Å; C293-K350 PolarHBondContact O-N 3.05Å
294D92.7Very high79.1Confident115 Ų11563.8 Ų63.862%0.61536%0.357SS*.  trans-115.412.7-176.956-6.9000113.1S296 K350D294-S296 PolarHBondContact O-N 2.85Å; D294-K350 HydrophobicContact CB-CB 4.44Å; D294-K350 HydrophobicContact CB-CD 3.89Å; D294-K350 HydrophobicContact CB-CG 4.31Å
295C93.6Very high80.8Confident19 Ų1957.8 Ų57.813%0.12833%0.325CS..  trans-62128.6-173.5-41.90000113.2C351C295-C351 WeakPolarHBondContact O-CA 3.38Å; C295-C351 WeakPolarHBondContact O-CB 3.35Å
296S89.8Confident82.6Confident81 Ų8154.5 Ų54.557%0.56632%0.315SS*.SBendtrans-69.7-44.8166.348.10000112.5D294 G298D294-S296 PolarHBondContact O-N 2.85Å; S296-G298 PolarHBondContact O-N 3.32Å
297E88.3Confident84.6Confident96 Ų9649.5 Ų49.545%0.44928%0.28SS..SBendtrans-73.843.4-168.2-49.2-47.3111.600115C299E297-C299 PolarHBondContact O-N 3.44Å
298G90.4Very high86.5Confident1 Ų148.1 Ų48.11%0.0127%0.269CS..THydrogen-bonded Turntrans55.620.7175.500000115.7S296 I300 C356 Q357S296-G298 PolarHBondContact O-N 3.32Å; G298-I300 VanDerWaalsContact C-N 3.32Å; G298-I300 PolarHBondContact O-N 2.69Å; G298-C356 CarbonylContact O-C 3.56Å; G298-C356 WeakPolarHBondContact O-CA 3.39Å; G298-Q357 PolarHBondContact O-N 3.18Å
299C94.1Very high88Confident3 Ų348.8 Ų48.82%0.0227%0.272CS..THydrogen-bonded Turntrans50.543.1179.6-59.30000114.8C293 E297 C305 L308 C351 C356 N358C293-C299 VanDerWaalsContact SG-SG 3.62Å; E297-C299 PolarHBondContact O-N 3.44Å; C299-C305 HydrophobicContact CB-CB 4.29Å; C299-L308 VanDerWaalsContact O-CD1 3.31Å; C299-L308 WeakPolarHBondContact O-CD1 3.31Å; C299-C351 WeakPolarHBondContact SG-CB 3.45Å; C299-C356 VanDerWaalsContact CB-SG 3.57Å; C299-N358 HydrophobicContact CB-CB 4.21Å
300I91.3Very high89.2Confident58 Ų5849 Ų4930%0.29727%0.274SS..  trans-88.8-30.5172-168.6162.8000113.5F206 G298 I302 L308 Y331F206-I300 HydrophobicContact CD1-CD1 4.35Å; F206-I300 HydrophobicContact CE1-CB 4.4Å; F206-I300 HydrophobicContact CE1-CD1 4.46Å; F206-I300 HydrophobicContact CE1-CG2 3.94Å; G298-I300 VanDerWaalsContact C-N 3.32Å; G298-I300 PolarHBondContact O-N 2.69Å; I300-I302 PolarHBondContact O-N 3.09Å; I300-L308 WeakPolarHBondContact O-CD1 3.24Å; I300-Y331 HydrophobicContact CD1-CD1 3.91Å; I300-Y331 HydrophobicContact CD1-CE1 3.13Å; I300-Y331 HydrophobicContact CD1-CE2 4.39Å; I300-Y331 VanDerWaalsContact CD1-OH 3.28Å; I300-Y331 WeakPolarHBondContact CD1-OH 3.37Å
301D90.7Very high90.6Very high47 Ų4743.8 Ų43.825%0.25124%0.242SC..  trans-82.2110.2-175.7-172.2-16000111.6T303 K304 C305D301-T303 VanDerWaalsContact C-N 3.25Å; D301-T303 VanDerWaalsContact CG-OG1 3.28Å; D301-T303 PolarHBondContact O-N 3.33Å; D301-T303 WeakPolarHBondContact OD1-CA 3.44Å; D301-T303 WeakPolarHBondContact OD1-CB 3.4Å; D301-T303 PolarHBondContact OD1-N 2.79Å; D301-T303 PolarHBondContact OD1-OG1 2.72Å; D301-T303 PolarHBondContact OD2-OG1 3.13Å; D301-K304 HydrophobicContact CB-CB 4.27Å; D301-K304 HydrophobicContact CB-CD 4.36Å; D301-K304 HydrophobicContact CB-CG 4.31Å; D301-K304 PolarHBondContact O-N 3.16Å; D301-K304 WeakPolarHBondContact OD2-CD 3.31Å; D301-K304 WeakPolarHBondContact OD2-CE 3.34Å; D301-K304 WeakPolarHBondContact OD2-CG 3.21Å; D301-K304 IonicContact OD2-NZ 2.76Å; D301-K304 PolarHBondContact OD2-NZ 2.82Å; D301-C305 WeakPolarHBondContact O-CB 3.36Å; D301-C305 PolarHBondContact O-N 2.87Å
302I90.3Very high91.4Very high37 Ų3742.4 Ų42.419%0.1924%0.236CC..THydrogen-bonded Turntrans-64.6-24.8176.5-175161.1000113.5I300 K304 L308 Q309 A312 I325 T327I300-I302 PolarHBondContact O-N 3.09Å; I302-K304 VanDerWaalsContact C-N 3.27Å; I302-K304 PolarHBondContact O-N 3.18Å; I302-L308 HydrophobicContact CB-CB 4.27Å; I302-L308 HydrophobicContact CB-CD1 4.26Å; I302-L308 HydrophobicContact CG1-CB 4.14Å; I302-Q309 WeakPolarHBondContact O-CG 3.37Å; I302-Q309 PolarHBondContact O-NE2 3.2Å; I302-Q309 VanDerWaalsContact O-NE2 3.14Å; I302-A312 HydrophobicContact CD1-CB 3.66Å; I302-I325 HydrophobicContact CD1-CG2 3.84Å; I302-T327 HydrophobicContact CD1-CG2 3.98Å; I302-T327 HydrophobicContact CG2-CG2 4.44Å
303T90.3Very high91.4Very high103 Ų10345.6 Ų45.663%0.63224%0.238SC*.THydrogen-bonded Turntrans-73.3-22.417671.90000112.2D301 Q309D301-T303 VanDerWaalsContact C-N 3.25Å; D301-T303 VanDerWaalsContact CG-OG1 3.28Å; D301-T303 PolarHBondContact O-N 3.33Å; D301-T303 WeakPolarHBondContact OD1-CA 3.44Å; D301-T303 WeakPolarHBondContact OD1-CB 3.4Å; D301-T303 PolarHBondContact OD1-N 2.79Å; D301-T303 PolarHBondContact OD1-OG1 2.72Å; D301-T303 PolarHBondContact OD2-OG1 3.13Å; T303-Q309 PolarHBondContact O-NE2 2.89Å
304K92.3Very high91.2Very high142 Ų14246.9 Ų46.962%0.61725%0.245SC*.THydrogen-bonded Turntrans-105.6-36.4-178.8-59.8-177.2-178.1104.70113.9D301 I302 A306D301-K304 HydrophobicContact CB-CB 4.27Å; D301-K304 HydrophobicContact CB-CD 4.36Å; D301-K304 HydrophobicContact CB-CG 4.31Å; D301-K304 PolarHBondContact O-N 3.16Å; D301-K304 WeakPolarHBondContact OD2-CD 3.31Å; D301-K304 WeakPolarHBondContact OD2-CE 3.34Å; D301-K304 WeakPolarHBondContact OD2-CG 3.21Å; D301-K304 IonicContact OD2-NZ 2.76Å; D301-K304 PolarHBondContact OD2-NZ 2.82Å; I302-K304 VanDerWaalsContact C-N 3.27Å; I302-K304 PolarHBondContact O-N 3.18Å; K304-A306 PolarHBondContact O-N 2.85Å
305C93.6Very high90.9Very high0 Ų041.6 Ų41.60%022%0.217CC..  trans-86.6110.3-171.9-176.50000113.2C299 D301 C307 L308 Q309C299-C305 HydrophobicContact CB-CB 4.29Å; D301-C305 WeakPolarHBondContact O-CB 3.36Å; D301-C305 PolarHBondContact O-N 2.87Å; C305-C307 PolarHBondContact O-N 2.85Å; C305-L308 HydrophobicContact CB-CB 4.1Å; C305-L308 HydrophobicContact CB-CD1 4.08Å; C305-L308 HydrophobicContact CB-CG 3.97Å; C305-L308 PolarHBondContact O-N 3.11Å; C305-L308 VanDerWaalsContact O-N 3.1Å; C305-Q309 WeakPolarHBondContact O-CG 3.26Å; C305-Q309 PolarHBondContact O-N 3.08Å
306A92.6Very high90.3Very high23 Ų2348.6 Ų48.619%0.1925%0.246CC..Hα-helixtrans-51.4-38176.100000113.9C293 K304 Q309 L310C293-A306 HydrophobicContact CB-CB 4.24Å; K304-A306 PolarHBondContact O-N 2.85Å; A306-Q309 PolarHBondContact O-N 3.14Å; A306-L310 WeakPolarHBondContact O-CB 3.4Å; A306-L310 PolarHBondContact O-N 2.93Å
307C93Very high89.6Confident2 Ų249.8 Ų49.81%0.01425%0.25CC..Hα-helixtrans-70.5-37.8179.7-51.10000112.9C305 L310 T311 N358C305-C307 PolarHBondContact O-N 2.85Å; C307-L310 PolarHBondContact O-N 3.3Å; C307-T311 PolarHBondContact O-N 2.8Å; C307-T311 VanDerWaalsContact O-N 3.1Å; C307-T311 PolarHBondContact O-OG1 3.15Å; C307-T311 VanDerWaalsContact O-OG1 3.12Å; C307-N358 WeakPolarHBondContact CB-ND2 3.03Å
308L93.1Very high88.8Confident10 Ų1046.4 Ų46.45%0.05224%0.237CC..Hα-helixtrans-66.8-40.5171.5-68.4-173.8000111C299 I300 I302 C305 T311 A312 N358C299-L308 VanDerWaalsContact O-CD1 3.31Å; C299-L308 WeakPolarHBondContact O-CD1 3.31Å; I300-L308 WeakPolarHBondContact O-CD1 3.24Å; I302-L308 HydrophobicContact CB-CB 4.27Å; I302-L308 HydrophobicContact CB-CD1 4.26Å; I302-L308 HydrophobicContact CG1-CB 4.14Å; C305-L308 HydrophobicContact CB-CB 4.1Å; C305-L308 HydrophobicContact CB-CD1 4.08Å; C305-L308 HydrophobicContact CB-CG 3.97Å; C305-L308 PolarHBondContact O-N 3.11Å; C305-L308 VanDerWaalsContact O-N 3.1Å; L308-T311 PolarHBondContact O-N 2.92Å; L308-A312 PolarHBondContact O-N 3.17Å; L308-N358 HydrophobicContact CD2-CB 4.17Å
309Q91.9Very high87.5Confident52 Ų5252.6 Ų52.624%0.24328%0.277CS..Hα-helixtrans-62.6-42.6174.1-66.6-174.516.300111.8I302 T303 C305 A306 T311 A312 R313I302-Q309 WeakPolarHBondContact O-CG 3.37Å; I302-Q309 PolarHBondContact O-NE2 3.2Å; I302-Q309 VanDerWaalsContact O-NE2 3.14Å; T303-Q309 PolarHBondContact O-NE2 2.89Å; C305-Q309 WeakPolarHBondContact O-CG 3.26Å; C305-Q309 PolarHBondContact O-N 3.08Å; A306-Q309 PolarHBondContact O-N 3.14Å; Q309-T311 VanDerWaalsContact C-N 3.31Å; Q309-T311 PolarHBondContact O-N 2.95Å; Q309-A312 PolarHBondContact O-N 3.39Å; Q309-R313 VanDerWaalsContact O-CB 3.25Å; Q309-R313 WeakPolarHBondContact O-CB 3Å; Q309-R313 WeakPolarHBondContact O-CG 3.5Å; Q309-R313 PolarHBondContact O-N 3.17Å
310L90.3Very high86Confident21 Ų2157.8 Ų57.811%0.1130%0.303CS..Hα-helixtrans-59.9-42.5176.6-178.362.9000111.6D291 A306 C307 N314 Y343 H668D291-L310 HydrophobicContact CB-CD2 4.42Å; A306-L310 WeakPolarHBondContact O-CB 3.4Å; A306-L310 PolarHBondContact O-N 2.93Å; C307-L310 PolarHBondContact O-N 3.3Å; L310-N314 WeakPolarHBondContact CD1-ND2 3.41Å; L310-N314 PolarHBondContact O-N 3.36Å; L310-N314 VanDerWaalsContact O-N 3.1Å; L310-N314 PolarHBondContact O-ND2 3.45Å; L310-Y343 HydrophobicContact CD2-CD1 3.52Å; L310-Y343 HydrophobicContact CD2-CD2 4.46Å; L310-Y343 HydrophobicContact CD2-CE1 4.11Å; L310-Y343 HydrophobicContact CD2-CG 3.73Å; L310-Y343 HydrophobicContact CG-CD1 4.07Å; L310-Y343 HydrophobicContact CG-CD2 4.16Å; L310-Y343 HydrophobicContact CG-CE1 4.47Å; L310-Y343 HydrophobicContact CG-CG 3.9Å; L310-H668 WeakPolarHBondContact CD2-CE1 3.42Å; L310-H668 VanDerWaalsContact CD2-NE2 3.31Å; L310-H668 WeakPolarHBondContact CD2-NE2 3.36Å
311T92.1Very high84.3Confident0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-59.9-49.5173.5-59.70000111.5C307 L308 Q309 N314 A315 I338 I342 Y343C307-T311 PolarHBondContact O-N 2.8Å; C307-T311 VanDerWaalsContact O-N 3.1Å; C307-T311 PolarHBondContact O-OG1 3.15Å; C307-T311 VanDerWaalsContact O-OG1 3.12Å; L308-T311 PolarHBondContact O-N 2.92Å; Q309-T311 VanDerWaalsContact C-N 3.31Å; Q309-T311 PolarHBondContact O-N 2.95Å; T311-N314 PolarHBondContact O-N 3.35Å; T311-A315 WeakPolarHBondContact O-CB 3.35Å; T311-A315 PolarHBondContact O-N 2.92Å; T311-I338 HydrophobicContact CG2-CD1 4.2Å; T311-I338 HydrophobicContact CG2-CG2 4.39Å; T311-I342 HydrophobicContact CG2-CG1 4.46Å; T311-I342 HydrophobicContact CG2-CG2 4.47Å; T311-Y343 PolarHBondContact OG1-N 2.79Å
312A89.7Confident82.8Confident12 Ų1258 Ų5810%0.09931%0.314CS..Hα-helixtrans-72.3-34.1-17800000114.1I302 L308 Q309 A315 K316I302-A312 HydrophobicContact CD1-CB 3.66Å; L308-A312 PolarHBondContact O-N 3.17Å; Q309-A312 PolarHBondContact O-N 3.39Å; A312-A315 PolarHBondContact O-N 2.78Å; A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.02Å
313R88.3Confident81.1Confident131 Ų13164.5 Ų64.549%0.49435%0.349SS..Hα-helixtrans-61.8-45.2173.1-73.6169.5-164.1174.56.1110.4Q309Q309-R313 VanDerWaalsContact O-CB 3.25Å; Q309-R313 WeakPolarHBondContact O-CB 3Å; Q309-R313 WeakPolarHBondContact O-CG 3.5Å; Q309-R313 PolarHBondContact O-N 3.17Å
314N87.1Confident79.6Confident31 Ų3165.9 Ų65.917%0.16635%0.346CS..Hα-helixtrans-66.1-44.8173.9-79.7-79000111.5L310 T311 K316 T317 T340 Y343L310-N314 WeakPolarHBondContact CD1-ND2 3.41Å; L310-N314 PolarHBondContact O-N 3.36Å; L310-N314 VanDerWaalsContact O-N 3.1Å; L310-N314 PolarHBondContact O-ND2 3.45Å; T311-N314 PolarHBondContact O-N 3.35Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 2.89Å; N314-T317 PolarHBondContact O-N 3.4Å; N314-T317 PolarHBondContact O-OG1 2.83Å; N314-T340 WeakPolarHBondContact O-CG2 3.46Å; N314-Y343 HydrophobicContact CB-CE2 4.25Å
315A85.8Confident78.2Confident4 Ų465 Ų653%0.03335%0.347CS..Hα-helixtrans-55.9-41.2178.900000112.4T311 A312 T317 S318 S321 T326 I338 T340T311-A315 WeakPolarHBondContact O-CB 3.35Å; T311-A315 PolarHBondContact O-N 2.92Å; A312-A315 PolarHBondContact O-N 2.78Å; A315-T317 PolarHBondContact O-N 3.42Å; A315-S318 WeakPolarHBondContact O-CB 3.46Å; A315-S318 PolarHBondContact O-N 3.31Å; A315-S318 VanDerWaalsContact O-N 3.11Å; A315-S321 VanDerWaalsContact O-CB 3.28Å; A315-S321 WeakPolarHBondContact O-CB 3.23Å; A315-T326 HydrophobicContact CB-CG2 3.85Å; A315-I338 HydrophobicContact CB-CG2 4.3Å; A315-T340 WeakPolarHBondContact CA-OG1 3.4Å; A315-T340 PolarHBondContact N-OG1 3.42Å
316K80.9Confident76.9Confident166 Ų16666.8 Ų66.872%0.72236%0.358SS*.THydrogen-bonded Turntrans-62.5-18.6176.6-77.1-176.1176.5-164.60115.4A312 N314 S318A312-K316 WeakPolarHBondContact O-CG 3.32Å; A312-K316 PolarHBondContact O-N 3.02Å; N314-K316 VanDerWaalsContact C-N 3.26Å; N314-K316 PolarHBondContact O-N 2.89Å; K316-S318 VanDerWaalsContact C-N 3.33Å
317T76.7Confident75.8Confident106 Ų10669.1 Ų69.165%0.6537%0.37SS*.THydrogen-bonded Turntrans-89.73.217664.30000113.3N314 A315N314-T317 PolarHBondContact O-N 3.4Å; N314-T317 PolarHBondContact O-OG1 2.83Å; A315-T317 PolarHBondContact O-N 3.42Å
318S71Confident75.5Confident25 Ų2569.2 Ų69.218%0.17537%0.372CS..SBendtrans-93.8129.9172.9-174.30000111.3A315 K316 L320 S321A315-S318 WeakPolarHBondContact O-CB 3.46Å; A315-S318 PolarHBondContact O-N 3.31Å; A315-S318 VanDerWaalsContact O-N 3.11Å; K316-S318 VanDerWaalsContact C-N 3.33Å; S318-L320 PolarHBondContact O-N 3.25Å; S318-L320 VanDerWaalsContact O-N 3.11Å; S318-L320 PolarHBondContact OG-N 2.79Å; S318-S321 WeakPolarHBondContact O-CB 3.34Å; S318-S321 PolarHBondContact O-N 3.4Å
319P62.7Low75.5Confident131 Ų13169.4 Ų69.485%0.85137%0.372SS*.THydrogen-bonded Turntrans-65.6-11.9175.827.5-35000113.6S321P319-S321 VanDerWaalsContact C-N 3.32Å
320L61.4Low75.5Confident112 Ų11272.1 Ų72.159%0.58638%0.383SS*.THydrogen-bonded Turntrans-84.7-0.8172.7-87.266.5000113.3S318 S322S318-L320 PolarHBondContact O-N 3.25Å; S318-L320 VanDerWaalsContact O-N 3.11Å; S318-L320 PolarHBondContact OG-N 2.79Å; L320-S322 PolarHBondContact O-N 2.96Å
321S57.4Low75.7Confident39 Ų3972 Ų7227%0.27338%0.381SS..  trans-82.9107.2179.8-173.70000111.9A315 S318 P319A315-S321 VanDerWaalsContact O-CB 3.28Å; A315-S321 WeakPolarHBondContact O-CB 3.23Å; S318-S321 WeakPolarHBondContact O-CB 3.34Å; S318-S321 PolarHBondContact O-N 3.4Å; P319-S321 VanDerWaalsContact C-N 3.32Å
322S58Low75.8Confident72 Ų7272.8 Ų72.850%0.50339%0.385SS..  trans-57.7151.9162.266.90000111.4L320 K324L320-S322 PolarHBondContact O-N 2.96Å; S322-K324 PolarHBondContact O-N 3.39Å
323D54.7Low76.1Confident173 Ų17373.2 Ų73.293%0.92538%0.384SS*.SBendtrans-58.4-4.4-177.7-60-67.7000116.9
324K59.8Low76.4Confident131 Ų13167 Ų6757%0.5736%0.36SS*.SBendtrans-67140.7174.1-70.2175.6-176.51640110.3S322 T326S322-K324 PolarHBondContact O-N 3.39Å; K324-T326 PolarHBondContact O-N 3.42Å; K324-T326 PolarHBondContact O-OG1 2.57Å
325I62.6Low76.5Confident123 Ų12369.1 Ų69.163%0.63137%0.369SS*.  trans-61102.1173-55.1174.6000108.8I302 T327I302-I325 HydrophobicContact CD1-CG2 3.84Å; I325-T327 VanDerWaalsContact C-N 3.28Å; I325-T327 HydrophobicContact CG2-CG2 4.03Å; I325-T327 PolarHBondContact O-N 3.1Å
326T65.5Low76.7Confident38 Ų3877.4 Ų77.423%0.23340%0.399CS..  trans-72.383.4175.3-62.30000109.5A315 K324 I338A315-T326 HydrophobicContact CB-CG2 3.85Å; K324-T326 PolarHBondContact O-N 3.42Å; K324-T326 PolarHBondContact O-OG1 2.57Å; T326-I338 HydrophobicContact CG2-CB 4.42Å; T326-I338 HydrophobicContact CG2-CD1 3.71Å; T326-I338 HydrophobicContact CG2-CG1 3.65Å; T326-I338 HydrophobicContact CG2-CG2 4.06Å
327T69.4Low77.1Confident72 Ų7274.9 Ų74.944%0.44239%0.39SS..  trans-73.9149167.449.30000110.3I302 I325I302-T327 HydrophobicContact CD1-CG2 3.98Å; I302-T327 HydrophobicContact CG2-CG2 4.44Å; I325-T327 VanDerWaalsContact C-N 3.28Å; I325-T327 HydrophobicContact CG2-CG2 4.03Å; I325-T327 PolarHBondContact O-N 3.1Å
328G87.1Confident77.8Confident5 Ų570 Ų705%0.05236%0.36CS..SBendtrans-73.2-112.1-177.100000113.4
329Y93.9Very high78.7Confident13 Ų1371.2 Ų71.25%0.05137%0.368CS..EExtended strand (participates in β ladder)trans-77.5135.7171.4-50.4-55.3000110.5L334 I342 E344 V360 F678Y329-L334 HydrophobicContact CD1-CB 3.96Å; Y329-L334 HydrophobicContact CD1-CD1 4.14Å; Y329-L334 HydrophobicContact CE1-CB 4.13Å; Y329-L334 HydrophobicContact CE1-CD1 4.23Å; Y329-L334 HydrophobicContact CE1-CD2 4.48Å; Y329-I342 HydrophobicContact CD1-CD1 4.26Å; Y329-I342 HydrophobicContact CE1-CD1 3.56Å; Y329-I342 HydrophobicContact CE2-CG2 3.95Å; Y329-E344 HydrophobicContact CE2-CG 4.12Å; Y329-E344 WeakPolarHBondContact CE2-OE1 3.35Å; Y329-E344 PolarHBondContact OH-OE1 3.41Å; Y329-V360 HydrophobicContact CD1-CG2 4.35Å; Y329-V360 HydrophobicContact CD2-CB 4.13Å; Y329-V360 HydrophobicContact CD2-CG2 3.41Å; Y329-V360 VanDerWaalsContact CD2-CG2 3.41Å; Y329-V360 HydrophobicContact CE2-CB 3.86Å; Y329-V360 HydrophobicContact CE2-CG2 3.67Å; Y329-V360 HydrophobicContact CG-CG2 3.79Å; Y329-F678 HydrophobicContact CD1-CE1 4.29Å; Y329-F678 HydrophobicContact CD1-CZ 4.5Å; Y329-F678 AromaticContact CE1-CE1 3.67Å; Y329-F678 HydrophobicContact CE1-CE1 3.67Å; Y329-F678 HydrophobicContact CE1-CE2 4.42Å; Y329-F678 AromaticContact CE1-CZ 3.48Å; Y329-F678 HydrophobicContact CE1-CZ 3.48Å; Y329-F678 VanDerWaalsContact CE1-CZ 3.48Å; Y329-F678 AromaticContact CZ-CZ 3.93Å
330K91.5Very high80Confident109 Ų10965.6 Ų65.647%0.47433%0.331SS..EExtended strand (participates in β ladder)trans-107.1111.6165.5-175.9169.9-178.2173.80107.9R333 Q335K330-R333 PolarHBondContact N-O 2.78Å; K330-R333 PolarHBondContact O-N 2.92Å; K330-R333 VanDerWaalsContact O-N 3.14Å; K330-Q335 HydrophobicContact CB-CG 4.12Å
331Y93.6Very high81.5Confident19 Ų1960.2 Ų60.28%0.07530%0.303CS..THydrogen-bonded Turntrans51.857.4-173.9-55.1-63.9000113.3V202 E203 F206 T219 I300 R333 Q357V202-Y331 HydrophobicContact CB-CD2 3.9Å; V202-Y331 HydrophobicContact CB-CG 3.97Å; V202-Y331 VanDerWaalsContact CG1-CB 3.46Å; V202-Y331 HydrophobicContact CG1-CD1 4.33Å; V202-Y331 HydrophobicContact CG1-CD2 4.21Å; V202-Y331 HydrophobicContact CG1-CG 3.74Å; E203-Y331 HydrophobicContact CB-CE1 4.31Å; E203-Y331 HydrophobicContact CB-CE2 3.85Å; E203-Y331 WeakPolarHBondContact CB-OH 3.41Å; E203-Y331 WeakPolarHBondContact CG-OH 3.42Å; E203-Y331 PolarHBondContact OE2-OH 3.07Å; F206-Y331 HydrophobicContact CB-CD1 3.75Å; F206-Y331 HydrophobicContact CB-CE1 3.61Å; F206-Y331 HydrophobicContact CD1-CD1 4.5Å; F206-Y331 AromaticContact CD1-CE1 3.89Å; F206-Y331 HydrophobicContact CD1-CE1 3.89Å; F206-Y331 HydrophobicContact CG-CD1 4.09Å; F206-Y331 AromaticContact CG-CE1 3.89Å; F206-Y331 HydrophobicContact CG-CE1 3.89Å; T219-Y331 HydrophobicContact CG2-CD1 4.33Å; I300-Y331 HydrophobicContact CD1-CD1 3.91Å; I300-Y331 HydrophobicContact CD1-CE1 3.13Å; I300-Y331 HydrophobicContact CD1-CE2 4.39Å; I300-Y331 VanDerWaalsContact CD1-OH 3.28Å; I300-Y331 WeakPolarHBondContact CD1-OH 3.37Å; Y331-R333 PolarHBondContact O-N 3.45Å; Y331-Q357 VanDerWaalsContact CA-OE1 3.29Å
332K94.6Very high83.3Confident17 Ų1758.4 Ų58.47%0.07429%0.29CS..THydrogen-bonded Turntrans55.12.5-172.6-64.8-179.9177.8-177.80116.5D220 V360D220-K332 HydrophobicContact CB-CD 4.32Å; D220-K332 WeakPolarHBondContact OD1-CD 3.27Å; D220-K332 WeakPolarHBondContact OD1-CE 3.49Å; D220-K332 IonicContact OD1-NZ 3.35Å; D220-K332 PolarHBondContact OD1-NZ 3.04Å; K332-V360 HydrophobicContact CB-CG2 3.87Å; K332-V360 HydrophobicContact CG-CG2 3.98Å
333R95.2Very high85Confident20 Ų2055.3 Ų55.38%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-103.2133.5178.1-68.6172.6174.383.1-13.9111.9T219 F222 K330 Y331 D388 G390T219-R333 PolarHBondContact O-NH1 3.23Å; F222-R333 PolarHBondContact O-NH2 3.05Å; K330-R333 PolarHBondContact N-O 2.78Å; K330-R333 PolarHBondContact O-N 2.92Å; K330-R333 VanDerWaalsContact O-N 3.14Å; Y331-R333 PolarHBondContact O-N 3.45Å; R333-D388 IonicContact CZ-OD2 3.94Å; R333-D388 IonicContact NE-OD2 3.3Å; R333-D388 IonicContact NH2-OD2 3.7Å; R333-D388 PolarHBondContact NH2-OD2 2.74Å; R333-G390 CarbonylContact C-O 3.52Å; R333-G390 VanDerWaalsContact CA-O 3.25Å; R333-G390 WeakPolarHBondContact CA-O 3.25Å
334L95.2Very high86.9Confident1 Ų147.1 Ų47.11%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-85.1111.7177.7-175.655.8000111Y329 R336 I342 G390 L659 Q661 F678Y329-L334 HydrophobicContact CD1-CB 3.96Å; Y329-L334 HydrophobicContact CD1-CD1 4.14Å; Y329-L334 HydrophobicContact CE1-CB 4.13Å; Y329-L334 HydrophobicContact CE1-CD1 4.23Å; Y329-L334 HydrophobicContact CE1-CD2 4.48Å; L334-R336 WeakPolarHBondContact CD1-O 3.48Å; L334-R336 WeakPolarHBondContact CG-O 3.38Å; L334-I342 HydrophobicContact CD1-CD1 3.55Å; L334-I342 HydrophobicContact CD2-CD1 4.13Å; L334-I342 HydrophobicContact CG-CD1 4.48Å; L334-G390 PolarHBondContact N-O 3.14Å; L334-G390 WeakPolarHBondContact O-CA 3.4Å; L334-L659 HydrophobicContact CD2-CD1 3.96Å; L334-Q661 HydrophobicContact CD2-CB 3.78Å; L334-Q661 HydrophobicContact CD2-CG 3.66Å; L334-F678 HydrophobicContact CB-CB 4.44Å; L334-F678 HydrophobicContact CB-CD1 3.61Å; L334-F678 HydrophobicContact CB-CE1 3.91Å; L334-F678 HydrophobicContact CB-CG 3.98Å; L334-F678 HydrophobicContact CD2-CB 4.34Å; L334-F678 HydrophobicContact CD2-CD1 4.16Å; L334-F678 HydrophobicContact CD2-CD2 3.62Å; L334-F678 HydrophobicContact CD2-CE1 4.38Å; L334-F678 HydrophobicContact CD2-CE2 3.88Å; L334-F678 HydrophobicContact CD2-CG 3.79Å; L334-F678 HydrophobicContact CD2-CZ 4.26Å
335Q90Very high88.5Confident76 Ų7640.9 Ų40.936%0.35520%0.196SC..  trans-84.4-27.2-172.1-63.7-57.6-26.300114.3K330 R389K330-Q335 HydrophobicContact CB-CG 4.12Å; Q335-R389 VanDerWaalsContact O-CZ 3.3Å; Q335-R389 PolarHBondContact O-NH1 3.24Å; Q335-R389 PolarHBondContact O-NH2 3.26Å; Q335-R389 VanDerWaalsContact OE1-NH1 3.14Å
336R88.7Confident89.7Confident177 Ų17735.2 Ų35.267%0.66817%0.167SC*.SBendtrans-148.5155.7177.4-63.1-174.6178-126.8-11.9108.5L334L334-R336 WeakPolarHBondContact CD1-O 3.48Å; L334-R336 WeakPolarHBondContact CG-O 3.38Å
337Q90.2Very high90.6Very high114 Ų11438.8 Ų38.853%0.53319%0.185SC..  trans-66.8144.8169.9-167.1-174.629.600109.7V660Q337-V660 PolarHBondContact NE2-O 3.24Å
338I91.4Very high91.3Very high2 Ų238.6 Ų38.61%0.0118%0.181CC..  trans-118100.1177-61.1180000106.8T311 A315 T326 T340 G341 I342 Q661T311-I338 HydrophobicContact CG2-CD1 4.2Å; T311-I338 HydrophobicContact CG2-CG2 4.39Å; A315-I338 HydrophobicContact CB-CG2 4.3Å; T326-I338 HydrophobicContact CG2-CB 4.42Å; T326-I338 HydrophobicContact CG2-CD1 3.71Å; T326-I338 HydrophobicContact CG2-CG1 3.65Å; T326-I338 HydrophobicContact CG2-CG2 4.06Å; I338-T340 PolarHBondContact O-N 3.33Å; I338-T340 VanDerWaalsContact O-N 3.15Å; I338-G341 WeakPolarHBondContact CG2-O 3.12Å; I338-G341 PolarHBondContact O-N 2.84Å; I338-I342 HydrophobicContact CB-CG1 4.23Å; I338-I342 HydrophobicContact CD1-CD1 4.14Å; I338-I342 HydrophobicContact CD1-CG1 3.95Å; I338-I342 HydrophobicContact CG1-CG1 4.5Å; I338-Q661 PolarHBondContact O-NE2 3.43Å
339P89Confident91.4Very high52 Ų5238.7 Ų38.734%0.33818%0.181SC..THydrogen-bonded Turntrans-56.5-34.6-169.2-29.336.1000114.4G341P339-G341 PolarHBondContact O-N 3.12Å
340T90.1Very high91.3Very high12 Ų1246.2 Ų46.27%0.07421%0.213CC..THydrogen-bonded Turntrans-76.5-6.718057.30000114.6N314 A315 I338N314-T340 WeakPolarHBondContact O-CG2 3.46Å; A315-T340 WeakPolarHBondContact CA-OG1 3.4Å; A315-T340 PolarHBondContact N-OG1 3.42Å; I338-T340 PolarHBondContact O-N 3.33Å; I338-T340 VanDerWaalsContact O-N 3.15Å
341G92.9Very high91.4Very high0 Ų041.2 Ų41.20%019%0.192CC..  trans92.3165.2-174.900000114.4I338 P339 N662I338-G341 WeakPolarHBondContact CG2-O 3.12Å; I338-G341 PolarHBondContact O-N 2.84Å; P339-G341 PolarHBondContact O-N 3.12Å; G341-N662 CarbonylContact C-O 3.51Å; G341-N662 WeakPolarHBondContact CA-O 3.45Å
342I95.2Very high91.2Very high0 Ų044.1 Ų44.10%021%0.209CC..EExtended strand (participates in β ladder)trans-110.2137.4177.3-59.6177.3000109.2T311 Y329 L334 I338 Q661 N662 V663 F664T311-I342 HydrophobicContact CG2-CG1 4.46Å; T311-I342 HydrophobicContact CG2-CG2 4.47Å; Y329-I342 HydrophobicContact CD1-CD1 4.26Å; Y329-I342 HydrophobicContact CE1-CD1 3.56Å; Y329-I342 HydrophobicContact CE2-CG2 3.95Å; L334-I342 HydrophobicContact CD1-CD1 3.55Å; L334-I342 HydrophobicContact CD2-CD1 4.13Å; L334-I342 HydrophobicContact CG-CD1 4.48Å; I338-I342 HydrophobicContact CB-CG1 4.23Å; I338-I342 HydrophobicContact CD1-CD1 4.14Å; I338-I342 HydrophobicContact CD1-CG1 3.95Å; I338-I342 HydrophobicContact CG1-CG1 4.5Å; I342-Q661 HydrophobicContact CD1-CG 3.7Å; I342-Q661 HydrophobicContact CG1-CG 4.09Å; I342-N662 PolarHBondContact N-O 2.85Å; I342-V663 HydrophobicContact CB-CG2 4.39Å; I342-V663 CarbonylContact O-C 3.58Å; I342-V663 WeakPolarHBondContact O-CA 3.47Å; I342-F664 PolarHBondContact O-N 2.87Å
343Y94.1Very high91Very high8 Ų849 Ų493%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-105.1102.6176.1-65.6-99.8000109.1L310 T311 N314 N358 F664 H668L310-Y343 HydrophobicContact CD2-CD1 3.52Å; L310-Y343 HydrophobicContact CD2-CD2 4.46Å; L310-Y343 HydrophobicContact CD2-CE1 4.11Å; L310-Y343 HydrophobicContact CD2-CG 3.73Å; L310-Y343 HydrophobicContact CG-CD1 4.07Å; L310-Y343 HydrophobicContact CG-CD2 4.16Å; L310-Y343 HydrophobicContact CG-CE1 4.47Å; L310-Y343 HydrophobicContact CG-CG 3.9Å; T311-Y343 PolarHBondContact OG1-N 2.79Å; N314-Y343 HydrophobicContact CB-CE2 4.25Å; Y343-N358 PolarHBondContact O-ND2 3.13Å; Y343-F664 HydrophobicContact CD1-CB 3.79Å; Y343-F664 AromaticContact CD1-CD2 3.98Å; Y343-F664 HydrophobicContact CD1-CD2 3.98Å; Y343-F664 HydrophobicContact CD1-CG 4.15Å; Y343-F664 HydrophobicContact CD2-CD2 4.13Å; Y343-F664 HydrophobicContact CE1-CB 4.02Å; Y343-F664 AromaticContact CE1-CD2 3.62Å; Y343-F664 HydrophobicContact CE1-CD2 3.62Å; Y343-F664 HydrophobicContact CE1-CE2 4.3Å; Y343-F664 AromaticContact CE1-CG 3.9Å; Y343-F664 HydrophobicContact CE1-CG 3.9Å; Y343-F664 AromaticContact CE2-CD2 3.78Å; Y343-F664 HydrophobicContact CE2-CD2 3.78Å; Y343-F664 HydrophobicContact CE2-CE2 4.11Å; Y343-F664 HydrophobicContact CG-CB 4.32Å; Y343-F664 HydrophobicContact CG-CD2 4.23Å; Y343-F664 AromaticContact CZ-CD2 3.5Å; Y343-F664 AromaticContact CZ-CE2 3.8Å; Y343-H668 AromaticContact CD1-CD2 3.62Å; Y343-H668 AromaticContact CD1-NE2 3.91Å; Y343-H668 HydrophobicContact CE1-CB 4.31Å; Y343-H668 AromaticContact CE1-CD2 3.88Å
344E95.6Very high90.6Very high0 Ų052 Ų520%024%0.242CC..  trans-70.1161.1176.3-67.1-154.3156.600111.3F289 Y329 S346 N358 V360 V361 Q362 V663 F664 V665F289-E344 WeakPolarHBondContact CE1-O 3.46Å; Y329-E344 HydrophobicContact CE2-CG 4.12Å; Y329-E344 WeakPolarHBondContact CE2-OE1 3.35Å; Y329-E344 PolarHBondContact OH-OE1 3.41Å; E344-S346 PolarHBondContact O-N 3.16Å; E344-N358 WeakPolarHBondContact CA-O 3.36Å; E344-N358 WeakPolarHBondContact CB-O 3.48Å; E344-V360 WeakPolarHBondContact OE1-CA 3.24Å; E344-V360 PolarHBondContact OE1-N 3.42Å; E344-V360 PolarHBondContact OE2-N 2.84Å; E344-V361 PolarHBondContact OE1-N 3.31Å; E344-Q362 WeakPolarHBondContact OE2-CB 3.36Å; E344-Q362 WeakPolarHBondContact OE2-CG 3.08Å; E344-Q362 PolarHBondContact OE2-N 3.16Å; E344-Q362 PolarHBondContact OE2-NE2 2.82Å; E344-V663 HydrophobicContact CG-CG1 3.69Å; E344-F664 PolarHBondContact N-O 3.15Å; E344-V665 HydrophobicContact CB-CG2 4.19Å; E344-V665 HydrophobicContact CG-CG2 4.12Å
345C93.8Very high90.3Very high0 Ų053 Ų530%025%0.247CC..  trans-65.3121.8167.6-66.50000109.5C349 C356 N358 R359 Q362C345-C349 HydrophobicContact CB-CB 3.94Å; C345-C356 VanDerWaalsContact SG-SG 3.7Å; C345-N358 PolarHBondContact N-ND2 2.84Å; C345-N358 PolarHBondContact N-O 2.82Å; C345-N358 PolarHBondContact SG-ND2 2.94Å; C345-R359 HydrophobicContact CB-CG 4Å; C345-R359 PolarHBondContact O-NH1 2.43Å; C345-Q362 PolarHBondContact O-NE2 3.47Å
346S87.9Confident90.5Very high4 Ų449.4 Ų49.43%0.02823%0.23CC..  trans-79.9-174.1-178.266.40000112.8F289 E344 L348 C349 R359F289-S346 VanDerWaalsContact CD1-CB 3.48Å; F289-S346 WeakPolarHBondContact CD1-OG 3.47Å; E344-S346 PolarHBondContact O-N 3.16Å; S346-L348 PolarHBondContact O-N 2.89Å; S346-L348 PolarHBondContact OG-N 3.29Å; S346-C349 PolarHBondContact N-SG 2.89Å; S346-C349 VanDerWaalsContact N-SG 3.43Å; S346-C349 PolarHBondContact O-N 3.39Å; S346-R359 PolarHBondContact O-NH1 3.32Å; S346-R359 PolarHBondContact O-NH2 2.75Å
347L83.4Confident90.7Very high114 Ų11441.2 Ų41.260%0.59720%0.2SC*.THydrogen-bonded Turntrans-65.3-20.2170.6-71.9167.1000113.2M53 C349M53-L347 HydrophobicContact CE-CB 4.33Å; M53-L347 HydrophobicContact CE-CD1 4.02Å; L347-C349 VanDerWaalsContact C-N 3.35Å
348L83.8Confident91Very high68 Ų6835.9 Ų35.936%0.35617%0.174SC..THydrogen-bonded Turntrans-82-13.5179.3-52-175000113.3I50 F289 S346I50-L348 HydrophobicContact CD1-CD2 3.82Å; I50-L348 HydrophobicContact CG1-CD2 4.2Å; F289-L348 HydrophobicContact CB-CD1 4.01Å; F289-L348 WeakPolarHBondContact O-CD1 3.08Å; S346-L348 PolarHBondContact O-N 2.89Å; S346-L348 PolarHBondContact OG-N 3.29Å
349C90Very high91.2Very high7 Ų735.9 Ų35.95%0.04717%0.174CC..  trans-81.5124.8-179.1-590000110.8C293 C345 S346 L347 C351 R359C293-C349 PolarHBondContact N-SG 3.07Å; C293-C349 VanDerWaalsContact N-SG 3.43Å; C293-C349 CarbonylContact O-C 3.6Å; C293-C349 WeakPolarHBondContact O-CA 3.49Å; C293-C349 WeakPolarHBondContact O-CB 3.49Å; C345-C349 HydrophobicContact CB-CB 3.94Å; S346-C349 PolarHBondContact N-SG 2.89Å; S346-C349 VanDerWaalsContact N-SG 3.43Å; S346-C349 PolarHBondContact O-N 3.39Å; L347-C349 VanDerWaalsContact C-N 3.35Å; C349-C351 PolarHBondContact O-N 2.66Å; C349-R359 PolarHBondContact O-NH2 3.35Å; C349-R359 VanDerWaalsContact O-NH2 3.1Å
350K91.3Very high91.6Very high171 Ų17134 Ų3474%0.74316%0.162SC*.  trans-70.8-10.8-179.3-44.6179.5-173.8167.80113.5C293 D294C293-K350 PolarHBondContact O-N 3.05Å; D294-K350 HydrophobicContact CB-CB 4.44Å; D294-K350 HydrophobicContact CB-CD 3.89Å; D294-K350 HydrophobicContact CB-CG 4.31Å
351C93.3Very high91.9Very high3 Ų333.7 Ų33.72%0.0216%0.16CC..SBendtrans-59139.8-17963.30000112.9C295 C299 C349 R353C295-C351 WeakPolarHBondContact O-CA 3.38Å; C295-C351 WeakPolarHBondContact O-CB 3.35Å; C299-C351 WeakPolarHBondContact SG-CB 3.45Å; C349-C351 PolarHBondContact O-N 2.66Å; C351-R353 PolarHBondContact O-N 3.34Å
352N90.6Very high91.9Very high80 Ų8036.2 Ų36.243%0.42817%0.172SC..  trans-50.6123.3-177.6178.3-49.1000110.9Q354 L355 C356N352-Q354 VanDerWaalsContact C-N 3.25Å; N352-Q354 PolarHBondContact O-N 2.9Å; N352-Q354 PolarHBondContact OD1-N 2.92Å; N352-L355 HydrophobicContact CB-CB 4.21Å; N352-L355 PolarHBondContact OD1-N 3.47Å; N352-C356 WeakPolarHBondContact O-CB 3.44Å; N352-C356 PolarHBondContact O-N 3.14Å
353R90.2Very high91.7Very high120 Ų12038.7 Ų38.745%0.45318%0.183SC..THydrogen-bonded Turntrans-65.7-21.7-169.7-66.8-179.557.767.32.1114.6C351 R359 H363C351-R353 PolarHBondContact O-N 3.34Å; R353-R359 WeakPolarHBondContact O-CD 3.42Å; R353-H363 PolarHBondContact O-NE2 3.12Å
354Q85.3Confident91.7Very high84 Ų8438.7 Ų38.739%0.39319%0.186SC..THydrogen-bonded Turntrans-102.8-38.1-177.8-53.3-64.916.900112.6F218 N352 H363F218-Q354 HydrophobicContact CE1-CB 3.7Å; F218-Q354 HydrophobicContact CZ-CB 4.11Å; N352-Q354 VanDerWaalsContact C-N 3.25Å; N352-Q354 PolarHBondContact O-N 2.9Å; N352-Q354 PolarHBondContact OD1-N 2.92Å; Q354-H363 PolarHBondContact OE1-NE2 2.71Å
355L88.9Confident91.7Very high20 Ų2038.9 Ų38.911%0.10519%0.187CC..THydrogen-bonded Turntrans-80.5-16.6178.8-62.6177.5000113.1L210 N352 Q357L210-L355 HydrophobicContact CD1-CD1 3.99Å; N352-L355 HydrophobicContact CB-CB 4.21Å; N352-L355 PolarHBondContact OD1-N 3.47Å; L355-Q357 PolarHBondContact O-N 2.83Å; L355-Q357 PolarHBondContact O-NE2 2.88Å
356C94.1Very high91.7Very high1 Ų141.9 Ų41.91%0.00720%0.201CC..  trans-63.8116.1177.7-176.10000112.2G298 C299 C345 N352 N358 R359G298-C356 CarbonylContact O-C 3.56Å; G298-C356 WeakPolarHBondContact O-CA 3.39Å; C299-C356 VanDerWaalsContact CB-SG 3.57Å; C345-C356 VanDerWaalsContact SG-SG 3.7Å; N352-C356 WeakPolarHBondContact O-CB 3.44Å; N352-C356 PolarHBondContact O-N 3.14Å; C356-N358 PolarHBondContact O-N 2.81Å; C356-N358 PolarHBondContact SG-N 2.82Å; C356-N358 VanDerWaalsContact SG-N 3.39Å; C356-R359 HydrophobicContact CB-CB 4.41Å; C356-R359 HydrophobicContact CB-CG 3.92Å; C356-R359 PolarHBondContact O-N 3.19Å
357Q94.9Very high92.1Very high6 Ų642.4 Ų42.43%0.02820%0.204CC..THydrogen-bonded Turntrans-73.7-12.8176.7-54.3-57-71.400112.6F206 T219 G298 Y331 L355F206-Q357 HydrophobicContact CD2-CG 4.1Å; F206-Q357 HydrophobicContact CE2-CG 3.74Å; F206-Q357 HydrophobicContact CZ-CG 4.09Å; T219-Q357 PolarHBondContact OG1-NE2 3.27Å; T219-Q357 PolarHBondContact OG1-OE1 2.67Å; G298-Q357 PolarHBondContact O-N 3.18Å; Y331-Q357 VanDerWaalsContact CA-OE1 3.29Å; L355-Q357 PolarHBondContact O-N 2.83Å; L355-Q357 PolarHBondContact O-NE2 2.88Å
358N95.9Very high92.7Very high1 Ų139.9 Ų39.91%0.00519%0.186CC..THydrogen-bonded Turntrans-101.227.1173.7-161.552.5000113.1C299 C307 L308 Y343 E344 C345 C356C299-N358 HydrophobicContact CB-CB 4.21Å; C307-N358 WeakPolarHBondContact CB-ND2 3.03Å; L308-N358 HydrophobicContact CD2-CB 4.17Å; Y343-N358 PolarHBondContact O-ND2 3.13Å; E344-N358 WeakPolarHBondContact CA-O 3.36Å; E344-N358 WeakPolarHBondContact CB-O 3.48Å; C345-N358 PolarHBondContact N-ND2 2.84Å; C345-N358 PolarHBondContact N-O 2.82Å; C345-N358 PolarHBondContact SG-ND2 2.94Å; C356-N358 PolarHBondContact O-N 2.81Å; C356-N358 PolarHBondContact SG-N 2.82Å; C356-N358 VanDerWaalsContact SG-N 3.39Å
359R95.3Very high93.3Very high2 Ų236.7 Ų36.71%0.00817%0.17CC..  trans-127.2113.1163.1-61.9-179.3-171.1-87.21.3107C345 S346 C349 R353 C356 Q362 H363C345-R359 HydrophobicContact CB-CG 4Å; C345-R359 PolarHBondContact O-NH1 2.43Å; S346-R359 PolarHBondContact O-NH1 3.32Å; S346-R359 PolarHBondContact O-NH2 2.75Å; C349-R359 PolarHBondContact O-NH2 3.35Å; C349-R359 VanDerWaalsContact O-NH2 3.1Å; R353-R359 WeakPolarHBondContact O-CD 3.42Å; C356-R359 HydrophobicContact CB-CB 4.41Å; C356-R359 HydrophobicContact CB-CG 3.92Å; C356-R359 PolarHBondContact O-N 3.19Å; R359-Q362 HydrophobicContact CB-CG 3.94Å; R359-Q362 HydrophobicContact CG-CG 4.43Å; R359-H363 PolarHBondContact O-CD2 2.91Å; R359-H363 VanDerWaalsContact O-CD2 3.32Å
360V96.2Very high93.7Very high12 Ų1236.7 Ų36.77%0.07317%0.169CC..SBendtrans-137.6-63.3-176.4-178.50000110.1Y329 K332 E344 Q362 H363 F392 F678Y329-V360 HydrophobicContact CD1-CG2 4.35Å; Y329-V360 HydrophobicContact CD2-CB 4.13Å; Y329-V360 HydrophobicContact CD2-CG2 3.41Å; Y329-V360 VanDerWaalsContact CD2-CG2 3.41Å; Y329-V360 HydrophobicContact CE2-CB 3.86Å; Y329-V360 HydrophobicContact CE2-CG2 3.67Å; Y329-V360 HydrophobicContact CG-CG2 3.79Å; K332-V360 HydrophobicContact CB-CG2 3.87Å; K332-V360 HydrophobicContact CG-CG2 3.98Å; E344-V360 WeakPolarHBondContact OE1-CA 3.24Å; E344-V360 PolarHBondContact OE1-N 3.42Å; E344-V360 PolarHBondContact OE2-N 2.84Å; V360-Q362 VanDerWaalsContact C-N 3.27Å; V360-Q362 PolarHBondContact O-N 2.77Å; V360-H363 PolarHBondContact O-N 3.29Å; V360-F392 HydrophobicContact CG1-CB 3.66Å; V360-F392 HydrophobicContact CG1-CD1 4.43Å; V360-F392 HydrophobicContact CG1-CG 4.19Å; V360-F678 HydrophobicContact CG1-CE1 4.2Å
361V96.6Very high94Very high7 Ų728.6 Ų28.64%0.04213%0.134CC..G310 helixtrans-62.9-36.7-178.7178.60000111E344 H363 G364 F392 I395 V663 L674 A676 F678E344-V361 PolarHBondContact OE1-N 3.31Å; V361-H363 PolarHBondContact O-N 2.86Å; V361-G364 PolarHBondContact O-N 2.61Å; V361-G364 VanDerWaalsContact O-N 3.09Å; V361-F392 HydrophobicContact CB-CE2 4.31Å; V361-F392 HydrophobicContact CB-CZ 4.2Å; V361-F392 HydrophobicContact CG1-CE2 4.08Å; V361-F392 HydrophobicContact CG1-CZ 3.86Å; V361-F392 HydrophobicContact CG2-CD2 4.02Å; V361-F392 HydrophobicContact CG2-CE2 3.86Å; V361-F392 HydrophobicContact CG2-CZ 4.25Å; V361-I395 HydrophobicContact CG1-CG2 3.4Å; V361-V663 HydrophobicContact CB-CG1 4.24Å; V361-V663 HydrophobicContact CG2-CB 4.25Å; V361-V663 HydrophobicContact CG2-CG1 4Å; V361-V663 HydrophobicContact CG2-CG2 4Å; V361-L674 HydrophobicContact CG1-CD1 4.04Å; V361-A676 HydrophobicContact CG1-CB 4.26Å; V361-A676 HydrophobicContact CG2-CB 3.81Å; V361-F678 HydrophobicContact CG2-CE2 4.24Å; V361-F678 HydrophobicContact CG2-CZ 3.81Å
362Q93.3Very high94.2Very high53 Ų5329.5 Ų29.525%0.24814%0.137CC..G310 helixtrans-65.4-15.5179.772.8-171-106.300115E344 C345 R359 V360 V665E344-Q362 WeakPolarHBondContact OE2-CB 3.36Å; E344-Q362 WeakPolarHBondContact OE2-CG 3.08Å; E344-Q362 PolarHBondContact OE2-N 3.16Å; E344-Q362 PolarHBondContact OE2-NE2 2.82Å; C345-Q362 PolarHBondContact O-NE2 3.47Å; R359-Q362 HydrophobicContact CB-CG 3.94Å; R359-Q362 HydrophobicContact CG-CG 4.43Å; V360-Q362 VanDerWaalsContact C-N 3.27Å; V360-Q362 PolarHBondContact O-N 2.77Å; Q362-V665 HydrophobicContact CB-CG1 3.76Å
363H92.3Very high94.5Very high52 Ų5226.7 Ų26.724%0.24112%0.121CC..G310 helixtrans-82.5-14.6174.4-64.2-75.1000113.2R353 Q354 R359 V360 V361 Q366R353-H363 PolarHBondContact O-NE2 3.12Å; Q354-H363 PolarHBondContact OE1-NE2 2.71Å; R359-H363 PolarHBondContact O-CD2 2.91Å; R359-H363 VanDerWaalsContact O-CD2 3.32Å; V360-H363 PolarHBondContact O-N 3.29Å; V361-H363 PolarHBondContact O-N 2.86Å; H363-Q366 PolarHBondContact O-NE2 2.81Å; H363-Q366 VanDerWaalsContact O-NE2 3.13Å
364G93.6Very high94.8Very high8 Ų821.3 Ų21.38%0.08210%0.102CC..  trans75.1-175.7-173.400000113.4V361 Q366V361-G364 PolarHBondContact O-N 2.61Å; V361-G364 VanDerWaalsContact O-N 3.09Å; G364-Q366 PolarHBondContact O-N 3.48Å; G364-Q366 PolarHBondContact O-NE2 3.18Å
365P94.7Very high95.1Very high4 Ų424.7 Ų24.73%0.02612%0.118CC..  trans-59.1123.1-177.8-24.135.1000112.4E251 S252 V253 V393 C394E251-P365 WeakPolarHBondContact OE2-CD 3.43Å; S252-P365 PolarHBondContact OG-O 2.82Å; V253-P365 WeakPolarHBondContact CG2-O 3.5Å; P365-V393 WeakPolarHBondContact CB-O 3.21Å; P365-C394 HydrophobicContact CG-CB 4.12Å
366Q94.4Very high95.2Very high63 Ų6329.9 Ų29.929%0.29414%0.141SC..  trans-100.3-20.5170.2-53.5-49.4-57.800112.2P164 H363 G364P164-Q366 WeakPolarHBondContact CG-O 3.28Å; H363-Q366 PolarHBondContact O-NE2 2.81Å; H363-Q366 VanDerWaalsContact O-NE2 3.13Å; G364-Q366 PolarHBondContact O-N 3.48Å; G364-Q366 PolarHBondContact O-NE2 3.18Å
367V95.4Very high95.3Very high14 Ų1432.4 Ų32.49%0.08515%0.152CC..SBendtrans-84.2144.5177.7-670000111.2L369 I387 T391V367-L369 HydrophobicContact CG2-CD2 3.94Å; V367-L369 HydrophobicContact CG2-CG 4.23Å; V367-L369 PolarHBondContact O-N 3.44Å; V367-I387 HydrophobicContact CB-CD1 3.93Å; V367-I387 HydrophobicContact CG1-CD1 3.92Å; V367-I387 HydrophobicContact CG1-CG1 4.15Å; V367-I387 HydrophobicContact CG1-CG2 4.34Å; V367-I387 HydrophobicContact CG2-CD1 4.14Å; V367-T391 HydrophobicContact CG1-CG2 3.85Å
368R96Very high95.3Very high61 Ų6133.5 Ų33.523%0.2317%0.165CC..  trans-76122.2175.7-62.3-165.3-63.1169.44.2111.1G161 E162 V253 L384 D385G161-R368 WeakPolarHBondContact O-CD 3.21Å; G161-R368 PolarHBondContact O-NH1 2.94Å; E162-R368 VanDerWaalsContact O-CD 3.27Å; E162-R368 WeakPolarHBondContact O-CD 3.19Å; V253-R368 HydrophobicContact CG1-CB 4.41Å; V253-R368 HydrophobicContact CG1-CG 3.85Å; R368-L384 HydrophobicContact CB-CB 3.96Å; R368-L384 HydrophobicContact CB-CD1 4.29Å; R368-L384 HydrophobicContact CB-CG 4.5Å; R368-L384 PolarHBondContact O-N 3.29Å; R368-D385 WeakPolarHBondContact CB-OD2 3.34Å; R368-D385 WeakPolarHBondContact CG-OD2 3.44Å; R368-D385 IonicContact CZ-OD1 3.63Å; R368-D385 IonicContact CZ-OD2 3.86Å; R368-D385 IonicContact NE-OD1 3.32Å; R368-D385 IonicContact NE-OD2 2.8Å; R368-D385 PolarHBondContact NE-OD2 3.32Å; R368-D385 IonicContact NH2-OD1 3.47Å; R368-D385 PolarHBondContact NH2-OD1 2.91Å; R368-D385 IonicContact NH2-OD2 3.64Å; R368-D385 PolarHBondContact NH2-OD2 2.86Å
369L97.6Very high95.3Very high1 Ų135.6 Ų35.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-115.6149.2-177.9-59.8179.7000111.2I255 S256 V367 V381 V393 V646 L689I255-L369 HydrophobicContact CD1-CB 4.21Å; I255-L369 HydrophobicContact CD1-CD1 4.4Å; S256-L369 PolarHBondContact N-O 3Å; S256-L369 PolarHBondContact OG-O 2.75Å; V367-L369 HydrophobicContact CG2-CD2 3.94Å; V367-L369 HydrophobicContact CG2-CG 4.23Å; V367-L369 PolarHBondContact O-N 3.44Å; L369-V381 HydrophobicContact CB-CG1 4.16Å; L369-V381 HydrophobicContact CD2-CG1 4.32Å; L369-V393 HydrophobicContact CD1-CG1 4.09Å; L369-V393 HydrophobicContact CD2-CG1 4.18Å; L369-V646 HydrophobicContact CD1-CG1 4.11Å; L369-V646 HydrophobicContact CD1-CG2 4.39Å; L369-L689 HydrophobicContact CD2-CD1 3.62Å
370Q97.7Very high95.5Very high8 Ų835.5 Ų35.54%0.03717%0.172CC..EExtended strand (participates in β ladder)trans-131.6124.4172.3-172.5173.254.300109.9S256 C258 V381 R382 L384S256-Q370 CarbonylContact O-C 3.56Å; S256-Q370 VanDerWaalsContact O-CA 3.3Å; S256-Q370 WeakPolarHBondContact O-CA 3.49Å; S256-Q370 WeakPolarHBondContact OG-CA 3.29Å; S256-Q370 VanDerWaalsContact OG-CB 3.3Å; S256-Q370 WeakPolarHBondContact OG-CB 3.41Å; S256-Q370 WeakPolarHBondContact OG-CG 3.44Å; C258-Q370 PolarHBondContact SG-NE2 2.75Å; C258-Q370 VanDerWaalsContact SG-NE2 3.39Å; Q370-V381 CarbonylContact O-C 3.42Å; Q370-V381 WeakPolarHBondContact O-CA 3.06Å; Q370-R382 HydrophobicContact CB-CG 4.19Å; Q370-R382 PolarHBondContact N-O 2.93Å; Q370-R382 PolarHBondContact O-N 3.32Å; Q370-R382 VanDerWaalsContact OE1-CZ 3.3Å; Q370-L384 HydrophobicContact CB-CD1 4.45Å; Q370-L384 HydrophobicContact CB-CD2 3.84Å; Q370-L384 HydrophobicContact CB-CG 4.07Å
371V98.3Very high95.6Very high0 Ų035 Ų350%017%0.169CC..EExtended strand (participates in β ladder)trans-78.1130.1164.9-178.90000107.9I246 I255 S256 F257 C258 L266 G380 V381 V646 F649I246-V371 HydrophobicContact CD1-CB 4.29Å; I246-V371 HydrophobicContact CD1-CG2 3.58Å; I255-V371 HydrophobicContact CG2-CG2 4.39Å; S256-V371 PolarHBondContact O-N 3.3Å; F257-V371 CarbonylContact C-O 3.55Å; F257-V371 VanDerWaalsContact CA-O 3.26Å; F257-V371 WeakPolarHBondContact CA-O 3.25Å; F257-V371 HydrophobicContact CB-CB 4.49Å; F257-V371 HydrophobicContact CD2-CB 4.17Å; F257-V371 HydrophobicContact CD2-CG1 4.14Å; F257-V371 WeakPolarHBondContact CD2-O 3.29Å; C258-V371 PolarHBondContact N-O 3.35Å; L266-V371 HydrophobicContact CD1-CG1 4.43Å; L266-V371 HydrophobicContact CD2-CG1 3.95Å; V371-G380 CarbonylContact C-O 3.57Å; V371-G380 WeakPolarHBondContact CA-O 3.42Å; V371-V381 HydrophobicContact CG2-CG2 4.45Å; V371-V646 HydrophobicContact CG2-CG2 3.93Å; V371-F649 HydrophobicContact CG1-CB 4.39Å; V371-F649 HydrophobicContact CG1-CD1 4.3Å; V371-F649 HydrophobicContact CG1-CD2 4.24Å; V371-F649 HydrophobicContact CG1-CG 4.1Å; V371-F649 HydrophobicContact CG2-CD2 3.98Å; V371-F649 HydrophobicContact CG2-CE2 4.44Å; V371-F649 HydrophobicContact CG2-CG 4.46Å
372F97.3Very high95.6Very high22 Ų2235.5 Ų35.510%0.09617%0.17CC..EExtended strand (participates in β ladder)trans-136.7156.1-176.277.9-71.4000112.7C258 T374 W379 G380 R382 E688C258-F372 VanDerWaalsContact O-CA 3.31Å; C258-F372 WeakPolarHBondContact O-CA 3.29Å; F372-T374 HydrophobicContact CE1-CG2 4.33Å; F372-T374 HydrophobicContact CE2-CG2 3.89Å; F372-T374 HydrophobicContact CZ-CG2 3.75Å; F372-T374 PolarHBondContact O-N 3.32Å; F372-W379 WeakPolarHBondContact O-CA 3.49Å; F372-G380 PolarHBondContact N-O 3.35Å; F372-G380 PolarHBondContact O-N 3.24Å; F372-R382 HydrophobicContact CD1-CB 3.93Å; F372-R382 HydrophobicContact CD1-CG 3.61Å; F372-R382 HydrophobicContact CE1-CB 3.73Å; F372-R382 HydrophobicContact CE1-CG 3.92Å; F372-R382 HydrophobicContact CG-CG 4.18Å; F372-R382 HydrophobicContact CZ-CB 4.49Å; F372-E688 HydrophobicContact CE1-CB 4.25Å; F372-E688 HydrophobicContact CE1-CG 3.98Å; F372-E688 HydrophobicContact CZ-CB 4.04Å; F372-E688 HydrophobicContact CZ-CG 3.98Å
373K96.8Very high95.8Very high21 Ų2133 Ų339%0.09116%0.159CC..EExtended strand (participates in β ladder)trans-73.1115.8170.2-172.164.518056.30109.2C258 N259 I261 E375 W379C258-K373 PolarHBondContact O-N 3.16Å; N259-K373 HydrophobicContact CB-CB 4.34Å; N259-K373 WeakPolarHBondContact OD1-CB 3.36Å; N259-K373 WeakPolarHBondContact OD1-CG 3.31Å; I261-K373 HydrophobicContact CB-CG 4.04Å; I261-K373 HydrophobicContact CD1-CB 4.5Å; I261-K373 HydrophobicContact CD1-CG 4.08Å; I261-K373 HydrophobicContact CG1-CG 4.29Å; K373-E375 PolarHBondContact NZ-O 3.39Å; K373-W379 HydrophobicContact CB-CE3 4.02Å; K373-W379 HydrophobicContact CB-CH2 4.49Å; K373-W379 HydrophobicContact CB-CZ3 3.62Å; K373-W379 HydrophobicContact CD-CD2 4.38Å; K373-W379 HydrophobicContact CD-CE3 3.94Å; K373-W379 HydrophobicContact CD-CH2 3.99Å; K373-W379 HydrophobicContact CD-CZ2 4.43Å; K373-W379 HydrophobicContact CD-CZ3 3.72Å; K373-W379 HydrophobicContact CG-CZ3 4.19Å
374T95.7Very high95.9Very high7 Ų732.2 Ų32.24%0.04316%0.156CC..  trans-81.7155164.368.40000109.2F372 K377 G378F372-T374 HydrophobicContact CE1-CG2 4.33Å; F372-T374 HydrophobicContact CE2-CG2 3.89Å; F372-T374 HydrophobicContact CZ-CG2 3.75Å; F372-T374 PolarHBondContact O-N 3.32Å; T374-K377 VanDerWaalsContact OG1-C 3.26Å; T374-K377 WeakPolarHBondContact OG1-CA 3.37Å; T374-K377 WeakPolarHBondContact OG1-CB 3.38Å; T374-K377 PolarHBondContact OG1-N 2.96Å; T374-G378 PolarHBondContact N-O 2.99Å; T374-G378 PolarHBondContact OG1-N 3.27Å; T374-G378 PolarHBondContact OG1-O 3.31Å
375E92.8Very high96Very high156 Ų15632.5 Ų32.573%0.72916%0.156SC*.SBendtrans-55.9-62.4175.6-66.6164.3-163.800111.3I261 K373I261-E375 HydrophobicContact CD1-CB 4.48Å; I261-E375 HydrophobicContact CD1-CG 3.92Å; K373-E375 PolarHBondContact NZ-O 3.39Å
376Q91.4Very high96.2Very high128 Ų12832.4 Ų32.460%0.59816%0.155SC*.SBendtrans-101.2-41.3-167-49.9-177.317.200113.4G378 Q708Q376-G378 VanDerWaalsContact C-N 3.25Å; Q376-G378 PolarHBondContact O-N 3.44Å; Q376-G378 VanDerWaalsContact O-N 3.16Å; Q376-Q708 HydrophobicContact CB-CB 4.41Å; Q376-Q708 HydrophobicContact CB-CG 4.46Å; Q376-Q708 PolarHBondContact O-OE1 3.11Å
377K94.5Very high96.3Very high55 Ų5529.7 Ų29.724%0.23914%0.143CC..SBendtrans-81.913-171.7-62.9174.9-72.1176.50114.9T374 W379 N651 E688 Q708T374-K377 VanDerWaalsContact OG1-C 3.26Å; T374-K377 WeakPolarHBondContact OG1-CA 3.37Å; T374-K377 WeakPolarHBondContact OG1-CB 3.38Å; T374-K377 PolarHBondContact OG1-N 2.96Å; K377-W379 PolarHBondContact O-N 2.92Å; K377-N651 HydrophobicContact CD-CB 4.42Å; K377-E688 IonicContact NZ-OE1 2.7Å; K377-E688 PolarHBondContact NZ-OE1 3.11Å; K377-E688 IonicContact NZ-OE2 2.79Å; K377-E688 PolarHBondContact NZ-OE2 3.4Å; K377-Q708 HydrophobicContact CD-CB 4.49Å; K377-Q708 WeakPolarHBondContact CD-O 3.46Å; K377-Q708 HydrophobicContact CG-CB 3.93Å
378G95.1Very high96.4Very high28 Ų2829.7 Ų29.729%0.28914%0.142SC..SBendtrans74-117.3-173.700000112.2T374 Q376T374-G378 PolarHBondContact N-O 2.99Å; T374-G378 PolarHBondContact OG1-N 3.27Å; T374-G378 PolarHBondContact OG1-O 3.31Å; Q376-G378 VanDerWaalsContact C-N 3.25Å; Q376-G378 PolarHBondContact O-N 3.44Å; Q376-G378 VanDerWaalsContact O-N 3.16Å
379W97.4Very high96.4Very high45 Ų4531.6 Ų31.617%0.1715%0.149CC..EExtended strand (participates in β ladder)trans-99141.2-179.8-56.8109.8000110.8F257 N259 R264 K265 L266 F372 K373 K377 F649 N651F257-W379 AromaticContact CE2-CE3 3.88Å; F257-W379 HydrophobicContact CE2-CE3 3.88Å; F257-W379 AromaticContact CE2-CH2 3.98Å; F257-W379 HydrophobicContact CE2-CH2 3.98Å; F257-W379 AromaticContact CE2-CZ3 3.42Å; F257-W379 HydrophobicContact CE2-CZ3 3.42Å; F257-W379 VanDerWaalsContact CE2-CZ3 3.42Å; F257-W379 AromaticContact CZ-CH2 3.95Å; F257-W379 HydrophobicContact CZ-CH2 3.95Å; F257-W379 AromaticContact CZ-CZ3 3.82Å; F257-W379 HydrophobicContact CZ-CZ3 3.82Å; N259-W379 HydrophobicContact CB-CZ3 4.43Å; R264-W379 HydrophobicContact CB-CH2 4.39Å; R264-W379 HydrophobicContact CB-CZ2 4.36Å; R264-W379 WeakPolarHBondContact O-CH2 3.33Å; K265-W379 WeakPolarHBondContact O-CZ2 3.16Å; L266-W379 HydrophobicContact CD2-CD2 3.67Å; L266-W379 HydrophobicContact CD2-CE3 3.92Å; L266-W379 HydrophobicContact CD2-CG 4.04Å; L266-W379 HydrophobicContact CD2-CZ2 4.28Å; L266-W379 HydrophobicContact CD2-CZ3 4.34Å; F372-W379 WeakPolarHBondContact O-CA 3.49Å; K373-W379 HydrophobicContact CB-CE3 4.02Å; K373-W379 HydrophobicContact CB-CH2 4.49Å; K373-W379 HydrophobicContact CB-CZ3 3.62Å; K373-W379 HydrophobicContact CD-CD2 4.38Å; K373-W379 HydrophobicContact CD-CE3 3.94Å; K373-W379 HydrophobicContact CD-CH2 3.99Å; K373-W379 HydrophobicContact CD-CZ2 4.43Å; K373-W379 HydrophobicContact CD-CZ3 3.72Å; K373-W379 HydrophobicContact CG-CZ3 4.19Å; K377-W379 PolarHBondContact O-N 2.92Å; W379-F649 HydrophobicContact CB-CD1 3.84Å; W379-F649 HydrophobicContact CB-CE1 4.33Å; W379-F649 HydrophobicContact CG-CD1 4.46Å; W379-F649 HydrophobicContact CG-CE1 4.48Å; W379-N651 PolarHBondContact O-ND2 2.77Å; W379-N651 PolarHBondContact O-OD1 3.37Å
380G98Very high96.4Very high0 Ų031.6 Ų31.60%015%0.149CC..EExtended strand (participates in β ladder)trans-129.9175.9174.200000112V371 F372 F649 N651V371-G380 CarbonylContact C-O 3.57Å; V371-G380 WeakPolarHBondContact CA-O 3.42Å; F372-G380 PolarHBondContact N-O 3.35Å; F372-G380 PolarHBondContact O-N 3.24Å; G380-F649 CarbonylContact C-O 3.55Å; G380-F649 WeakPolarHBondContact CA-O 3.34Å; G380-N651 WeakPolarHBondContact CA-ND2 3.28Å
381V98.6Very high96.4Very high1 Ų132.4 Ų32.41%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-116.3138.4168.8-169.90000108.7L369 Q370 V371 V646 F649 L650 E688 L689L369-V381 HydrophobicContact CB-CG1 4.16Å; L369-V381 HydrophobicContact CD2-CG1 4.32Å; Q370-V381 CarbonylContact O-C 3.42Å; Q370-V381 WeakPolarHBondContact O-CA 3.06Å; V371-V381 HydrophobicContact CG2-CG2 4.45Å; V381-V646 HydrophobicContact CG1-CG2 4.09Å; V381-V646 HydrophobicContact CG2-CG2 3.96Å; V381-F649 HydrophobicContact CG2-CB 3.7Å; V381-F649 PolarHBondContact N-O 2.88Å; V381-L650 HydrophobicContact CB-CD2 3.86Å; V381-L650 HydrophobicContact CG2-CD2 3.93Å; V381-L650 HydrophobicContact CG2-CG 4.23Å; V381-E688 CarbonylContact O-C 3.48Å; V381-E688 WeakPolarHBondContact O-CA 3.47Å; V381-L689 HydrophobicContact CG1-CD1 4.39Å; V381-L689 PolarHBondContact O-N 3.42Å
382R97.7Very high96.4Very high18 Ų1833 Ų337%0.06816%0.157CC..EExtended strand (participates in β ladder)trans-126.6155.416862-169.4-177.9-163.11.9110.6C258 E260 Q370 F372 T687C258-R382 PolarHBondContact SG-NH2 3.48Å; E260-R382 IonicContact OE1-CZ 3.25Å; E260-R382 IonicContact OE1-NH1 2.75Å; E260-R382 IonicContact OE1-NH2 2.76Å; E260-R382 PolarHBondContact OE1-NH2 3.43Å; E260-R382 IonicContact OE2-CZ 3.73Å; E260-R382 IonicContact OE2-NH1 3.53Å; E260-R382 PolarHBondContact OE2-NH1 2.85Å; E260-R382 IonicContact OE2-NH2 3.83Å; E260-R382 PolarHBondContact OE2-NH2 2.82Å; Q370-R382 HydrophobicContact CB-CG 4.19Å; Q370-R382 PolarHBondContact N-O 2.93Å; Q370-R382 PolarHBondContact O-N 3.32Å; Q370-R382 VanDerWaalsContact OE1-CZ 3.3Å; F372-R382 HydrophobicContact CD1-CB 3.93Å; F372-R382 HydrophobicContact CD1-CG 3.61Å; F372-R382 HydrophobicContact CE1-CB 3.73Å; F372-R382 HydrophobicContact CE1-CG 3.92Å; F372-R382 HydrophobicContact CG-CG 4.18Å; F372-R382 HydrophobicContact CZ-CB 4.49Å; R382-T687 WeakPolarHBondContact CA-O 3.4Å; R382-T687 WeakPolarHBondContact CB-O 3.45Å
383C95.9Very high96.4Very high0 Ų032 Ų320%015%0.153CC..EExtended strand (participates in β ladder)trans-78.4149.2169.451.90000110.4I387 K684 R686 T687 L689C383-I387 HydrophobicContact CB-CD1 3.44Å; C383-I387 VanDerWaalsContact CB-CD1 3.44Å; C383-I387 HydrophobicContact CB-CG1 4.11Å; C383-K684 PolarHBondContact SG-O 3.37Å; C383-R686 VanDerWaalsContact O-CA 3.27Å; C383-R686 WeakPolarHBondContact O-CA 3.28Å; C383-R686 PolarHBondContact O-N 3.36Å; C383-T687 PolarHBondContact N-O 3.04Å; C383-L689 HydrophobicContact CB-CD1 4.43Å
384L95.4Very high96.5Very high36 Ų3631 Ų3119%0.18815%0.149CC..SBendtrans-92.8-17.5171.3-67.6-178.9000113.1R368 Q370 A685R368-L384 HydrophobicContact CB-CB 3.96Å; R368-L384 HydrophobicContact CB-CD1 4.29Å; R368-L384 HydrophobicContact CB-CG 4.5Å; R368-L384 PolarHBondContact O-N 3.29Å; Q370-L384 HydrophobicContact CB-CD1 4.45Å; Q370-L384 HydrophobicContact CB-CD2 3.84Å; Q370-L384 HydrophobicContact CB-CG 4.07Å; L384-A685 WeakPolarHBondContact O-CB 3.34Å
385D96.1Very high96.6Very high14 Ų1431.4 Ų31.48%0.07515%0.151CC..SBendtrans-122.9162.6-179.1-58.4-59.4000111.4N163 R368 A685N163-D385 WeakPolarHBondContact CB-OD1 3.38Å; N163-D385 PolarHBondContact ND2-OD1 3.13Å; R368-D385 WeakPolarHBondContact CB-OD2 3.34Å; R368-D385 WeakPolarHBondContact CG-OD2 3.44Å; R368-D385 IonicContact CZ-OD1 3.63Å; R368-D385 IonicContact CZ-OD2 3.86Å; R368-D385 IonicContact NE-OD1 3.32Å; R368-D385 IonicContact NE-OD2 2.8Å; R368-D385 PolarHBondContact NE-OD2 3.32Å; R368-D385 IonicContact NH2-OD1 3.47Å; R368-D385 PolarHBondContact NH2-OD1 2.91Å; R368-D385 IonicContact NH2-OD2 3.64Å; R368-D385 PolarHBondContact NH2-OD2 2.86Å; D385-A685 VanDerWaalsContact C-CB 3.43Å; D385-A685 WeakPolarHBondContact O-CA 3.25Å
386D97.3Very high96.8Very high3 Ų324.5 Ų24.52%0.01612%0.118CC..  trans-69.8126.6171-84.416.6000109.8L165 V228 Q229 R232 Y682 V683 A685L165-D386 WeakPolarHBondContact CD1-O 3.4Å; V228-D386 WeakPolarHBondContact CA-OD2 3.24Å; V228-D386 HydrophobicContact CB-CB 4.41Å; V228-D386 HydrophobicContact CG1-CB 4.07Å; V228-D386 HydrophobicContact CG2-CB 4.29Å; Q229-D386 PolarHBondContact N-OD2 3.28Å; R232-D386 IonicContact CZ-OD1 3.29Å; R232-D386 IonicContact CZ-OD2 3.21Å; R232-D386 IonicContact NE-OD1 2.64Å; R232-D386 PolarHBondContact NE-OD1 2.96Å; R232-D386 IonicContact NE-OD2 3.76Å; R232-D386 PolarHBondContact NE-OD2 2.99Å; R232-D386 IonicContact NH2-OD1 3.59Å; R232-D386 IonicContact NH2-OD2 2.73Å; R232-D386 PolarHBondContact NH2-OD2 3.01Å; D386-Y682 HydrophobicContact CB-CE2 4.06Å; D386-Y682 VanDerWaalsContact CG-OH 3.32Å; D386-Y682 PolarHBondContact OD2-OH 3.11Å; D386-V683 CarbonylContact C-O 3.5Å; D386-V683 WeakPolarHBondContact CA-O 3.41Å; D386-A685 WeakPolarHBondContact OD1-CB 3.44Å; D386-A685 PolarHBondContact OD1-N 3.09Å
387I97Very high97Very high6 Ų618.4 Ų18.43%0.0319%0.09CC..BIsolated β-bridgetrans-114.1132-174.6-55.9178.9000110.9V367 C383 T391 T679 Y682 V683V367-I387 HydrophobicContact CB-CD1 3.93Å; V367-I387 HydrophobicContact CG1-CD1 3.92Å; V367-I387 HydrophobicContact CG1-CG1 4.15Å; V367-I387 HydrophobicContact CG1-CG2 4.34Å; V367-I387 HydrophobicContact CG2-CD1 4.14Å; C383-I387 HydrophobicContact CB-CD1 3.44Å; C383-I387 VanDerWaalsContact CB-CD1 3.44Å; C383-I387 HydrophobicContact CB-CG1 4.11Å; I387-T391 VanDerWaalsContact CG2-CB 3.47Å; I387-T391 HydrophobicContact CG2-CG2 3.84Å; I387-T679 HydrophobicContact CB-CG2 4.38Å; I387-T679 HydrophobicContact CG2-CG2 3.69Å; I387-Y682 WeakPolarHBondContact O-CD2 3.2Å; I387-V683 HydrophobicContact CB-CB 4.44Å; I387-V683 PolarHBondContact N-O 3.27Å; I387-V683 PolarHBondContact O-N 3.35Å
388D97.1Very high97Very high13 Ų1315.8 Ų15.87%0.078%0.078CC..  trans-70.4151.6174.2-90.8-31.1000113.2S223 N225 R333 G390 T391 T679S223-D388 WeakPolarHBondContact CA-OD2 3.47Å; S223-D388 WeakPolarHBondContact CB-OD2 3.41Å; S223-D388 PolarHBondContact OG-OD1 3.48Å; S223-D388 VanDerWaalsContact OG-OD1 3.07Å; S223-D388 PolarHBondContact OG-OD2 3.09Å; N225-D388 WeakPolarHBondContact CB-OD1 3.37Å; N225-D388 PolarHBondContact ND2-OD1 2.86Å; N225-D388 VanDerWaalsContact ND2-OD1 3.08Å; R333-D388 IonicContact CZ-OD2 3.94Å; R333-D388 IonicContact NE-OD2 3.3Å; R333-D388 IonicContact NH2-OD2 3.7Å; R333-D388 PolarHBondContact NH2-OD2 2.74Å; D388-G390 PolarHBondContact O-N 3.45Å; D388-T391 WeakPolarHBondContact O-CB 3.47Å; D388-T391 PolarHBondContact O-N 2.82Å; D388-T391 PolarHBondContact O-OG1 3.33Å; D388-T679 PolarHBondContact O-OG1 3.17Å
389R96.9Very high96.8Very high102 Ų10220.5 Ų20.539%0.3859%0.087SC..THydrogen-bonded Turntrans-53.6138.8168.3-177.8174.5-173.8-79.4-9.4111.6Q335 T391 N680 R681Q335-R389 VanDerWaalsContact O-CZ 3.3Å; Q335-R389 PolarHBondContact O-NH1 3.24Å; Q335-R389 PolarHBondContact O-NH2 3.26Å; Q335-R389 VanDerWaalsContact OE1-NH1 3.14Å; R389-T391 VanDerWaalsContact C-N 3.31Å; R389-N680 WeakPolarHBondContact CD-O 3.35Å; R389-N680 PolarHBondContact NE-O 2.77Å; R389-R681 WeakPolarHBondContact CA-O 3.38Å
390G97.1Very high96.4Very high0 Ų019.2 Ų19.20%08%0.084CC..THydrogen-bonded Turntrans77.45.8179.800000115.5R333 L334 D388 F678 T679R333-G390 CarbonylContact C-O 3.52Å; R333-G390 VanDerWaalsContact CA-O 3.25Å; R333-G390 WeakPolarHBondContact CA-O 3.25Å; L334-G390 PolarHBondContact N-O 3.14Å; L334-G390 WeakPolarHBondContact O-CA 3.4Å; D388-G390 PolarHBondContact O-N 3.45Å; G390-F678 WeakPolarHBondContact O-CD1 3.5Å; G390-T679 WeakPolarHBondContact CA-O 3.19Å; G390-T679 PolarHBondContact N-O 3.21Å; G390-T679 PolarHBondContact N-OG1 3.05Å; G390-T679 VanDerWaalsContact N-OG1 3.16Å
391T98Very high95.9Very high25 Ų2520.7 Ų20.715%0.1539%0.091CC..  trans-74.5139178.1-51.10000111.1V367 I387 D388 R389 F678 T679V367-T391 HydrophobicContact CG1-CG2 3.85Å; I387-T391 VanDerWaalsContact CG2-CB 3.47Å; I387-T391 HydrophobicContact CG2-CG2 3.84Å; D388-T391 WeakPolarHBondContact O-CB 3.47Å; D388-T391 PolarHBondContact O-N 2.82Å; D388-T391 PolarHBondContact O-OG1 3.33Å; R389-T391 VanDerWaalsContact C-N 3.31Å; T391-F678 CarbonylContact O-C 3.55Å; T391-F678 VanDerWaalsContact O-CA 3.25Å; T391-F678 WeakPolarHBondContact O-CA 3.39Å; T391-T679 PolarHBondContact N-OG1 2.57Å; T391-T679 PolarHBondContact O-N 3.42Å; T391-T679 PolarHBondContact O-OG1 3Å
392F98.4Very high95Very high12 Ų1222.1 Ų22.15%0.05310%0.101CC..EExtended strand (participates in β ladder)trans-71.1135.4173.2176.1-122.8000111.3V360 V361 C394 I395 A676 F677 F678V360-F392 HydrophobicContact CG1-CB 3.66Å; V360-F392 HydrophobicContact CG1-CD1 4.43Å; V360-F392 HydrophobicContact CG1-CG 4.19Å; V361-F392 HydrophobicContact CB-CE2 4.31Å; V361-F392 HydrophobicContact CB-CZ 4.2Å; V361-F392 HydrophobicContact CG1-CE2 4.08Å; V361-F392 HydrophobicContact CG1-CZ 3.86Å; V361-F392 HydrophobicContact CG2-CD2 4.02Å; V361-F392 HydrophobicContact CG2-CE2 3.86Å; V361-F392 HydrophobicContact CG2-CZ 4.25Å; F392-C394 VanDerWaalsContact CE2-O 3.29Å; F392-C394 WeakPolarHBondContact CE2-O 3.46Å; F392-C394 VanDerWaalsContact CZ-C 3.49Å; F392-I395 HydrophobicContact CE2-CG2 4.28Å; F392-I395 HydrophobicContact CZ-CG2 4.04Å; F392-A676 HydrophobicContact CD2-CB 4.46Å; F392-A676 HydrophobicContact CE2-CB 3.96Å; F392-F677 WeakPolarHBondContact CD2-O 3.38Å; F392-F678 HydrophobicContact CB-CD1 3.93Å; F392-F678 HydrophobicContact CB-CE1 3.62Å; F392-F678 HydrophobicContact CB-CZ 4.22Å; F392-F678 HydrophobicContact CD2-CE1 4.12Å; F392-F678 HydrophobicContact CD2-CE2 4.14Å; F392-F678 AromaticContact CD2-CZ 3.9Å; F392-F678 HydrophobicContact CD2-CZ 3.9Å; F392-F678 HydrophobicContact CG-CE1 4.27Å; F392-F678 HydrophobicContact CG-CZ 4.39Å
393V98.3Very high93.5Very high1 Ų129.4 Ų29.41%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-105.9-66-178.4176.50000110.7P365 L369 L658 F677 T679 L689P365-V393 WeakPolarHBondContact CB-O 3.21Å; L369-V393 HydrophobicContact CD1-CG1 4.09Å; L369-V393 HydrophobicContact CD2-CG1 4.18Å; V393-L658 HydrophobicContact CB-CD2 4.49Å; V393-L658 HydrophobicContact CG2-CD2 3.81Å; V393-F677 HydrophobicContact CB-CB 4.39Å; V393-F677 PolarHBondContact N-O 2.85Å; V393-T679 HydrophobicContact CG2-CG2 3.96Å; V393-L689 HydrophobicContact CG1-CD1 3.84Å
394C98.1Very high91.6Very high1 Ų132.3 Ų32.31%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-163.4172.4176.169.70000110.2P365 F392 V646 F677P365-C394 HydrophobicContact CG-CB 4.12Å; F392-C394 VanDerWaalsContact CE2-O 3.29Å; F392-C394 WeakPolarHBondContact CE2-O 3.46Å; F392-C394 VanDerWaalsContact CZ-C 3.49Å; C394-V646 HydrophobicContact CB-CG1 3.88Å; C394-F677 WeakPolarHBondContact O-CD2 3.47Å; C394-F677 PolarHBondContact O-N 2.66Å
395I97.9Very high89.6Confident16 Ų1635.6 Ų35.68%0.08217%0.17CC..EExtended strand (participates in β ladder)trans-87.6166.1161.966.7171.8000111.2K273 V361 F392 N645 L674 V675 A676K273-I395 WeakPolarHBondContact O-CD1 3.44Å; V361-I395 HydrophobicContact CG1-CG2 3.4Å; F392-I395 HydrophobicContact CE2-CG2 4.28Å; F392-I395 HydrophobicContact CZ-CG2 4.04Å; I395-N645 PolarHBondContact O-ND2 3.14Å; I395-N645 PolarHBondContact O-OD1 2.81Å; I395-L674 HydrophobicContact CD1-CD2 4.45Å; I395-L674 HydrophobicContact CG2-CB 4.36Å; I395-V675 CarbonylContact C-O 3.53Å; I395-V675 WeakPolarHBondContact CA-O 3.48Å; I395-V675 WeakPolarHBondContact CB-O 3.38Å; I395-A676 HydrophobicContact CG2-CB 4.35Å
396Y97.2Very high87.4Confident11 Ų1136.5 Ų36.54%0.04318%0.177CC..  trans-86.3106.9158.5-163.7-90.7000108.8K428 R430 L638 A640 V675 F677Y396-K428 WeakPolarHBondContact OH-CA 3.13Å; Y396-K428 PolarHBondContact OH-O 2.64Å; Y396-R430 HydrophobicContact CE1-CB 4.37Å; Y396-L638 HydrophobicContact CD1-CB 4.2Å; Y396-L638 HydrophobicContact CD1-CD1 4.48Å; Y396-L638 HydrophobicContact CE1-CB 4.26Å; Y396-A640 HydrophobicContact CE1-CB 3.91Å; Y396-V675 PolarHBondContact N-O 3.42Å; Y396-F677 HydrophobicContact CD2-CE2 4.1Å; Y396-F677 HydrophobicContact CD2-CZ 4.12Å; Y396-F677 HydrophobicContact CG-CE2 4.46Å
397S95.2Very high84.8Confident0 Ų042.3 Ų42.30%020%0.204CC..  trans-107.6141.6178.9-1750000111.7R272 T274 V275 G644 N645R272-S397 WeakPolarHBondContact O-CB 3.45Å; R272-S397 PolarHBondContact O-OG 3.42Å; T274-S397 PolarHBondContact O-OG 2.93Å; T274-S397 VanDerWaalsContact O-OG 3.05Å; V275-S397 PolarHBondContact N-OG 3.22Å; S397-G644 WeakPolarHBondContact O-CA 3.41Å; S397-N645 WeakPolarHBondContact CB-OD1 3.04Å; S397-N645 PolarHBondContact N-OD1 2.99Å; S397-N645 PolarHBondContact O-N 2.93Å
398G93.4Very high82.1Confident0 Ų050.6 Ų50.60%024%0.24CC..EExtended strand (participates in β ladder)trans-173.8-169.417800000111.7W276 E643W276-G398 PolarHBondContact N-O 2.86Å; G398-E643 WeakPolarHBondContact CA-O 3.45Å
399R91.9Very high79.3Confident127 Ų12753.7 Ų53.748%0.47926%0.262SS..EExtended strand (participates in β ladder)trans-80130173.3-170.4175.7179.8133.4-9.5110.4W276 L401 D639 E643W276-R399 CarbonylContact O-C 3.56Å; W276-R399 VanDerWaalsContact O-CA 3.28Å; W276-R399 WeakPolarHBondContact O-CA 3.43Å; R399-L401 HydrophobicContact CG-CD2 4Å; R399-D639 PolarHBondContact N-O 3.04Å; R399-D639 PolarHBondContact O-N 3.19Å; R399-E643 HydrophobicContact CB-CG 4.09Å; R399-E643 IonicContact NH1-OE1 2.81Å
400L89.3Confident76.3Confident18 Ų1857 Ų579%0.09428%0.276CS..EExtended strand (participates in β ladder)trans-86.8124177.1-17061.2000109.8V275 W276 L282 L432 F636 L637 L638 F672V275-L400 HydrophobicContact CG1-CB 3.87Å; V275-L400 HydrophobicContact CG1-CD2 4.29Å; W276-L400 PolarHBondContact O-N 3.42Å; L282-L400 HydrophobicContact CD1-CD2 3.6Å; L282-L400 HydrophobicContact CD1-CG 4.43Å; L400-L432 HydrophobicContact CD1-CD2 4.39Å; L400-F636 HydrophobicContact CD1-CB 3.75Å; L400-F636 HydrophobicContact CD1-CG 4.43Å; L400-F636 HydrophobicContact CG-CB 4.47Å; L400-F636 HydrophobicContact CG-CD1 4.43Å; L400-L637 WeakPolarHBondContact CA-O 3.11Å; L400-L638 HydrophobicContact CB-CD2 4.44Å; L400-L638 HydrophobicContact CD1-CD2 3.92Å; L400-L638 HydrophobicContact CD1-CG 4.19Å; L400-F672 HydrophobicContact CD2-CD1 3.82Å; L400-F672 HydrophobicContact CD2-CE1 3.93Å
401L86.2Confident73.2Confident31 Ų3160 Ų6016%0.16231%0.306CS..EExtended strand (participates in β ladder)trans-121.8137.3-176.8-57.1177.3000110.4R399 T406 F636 L637 D639R399-L401 HydrophobicContact CG-CD2 4Å; L401-T406 HydrophobicContact CD1-CG2 4.26Å; L401-F636 CarbonylContact O-C 3.27Å; L401-F636 WeakPolarHBondContact O-CA 3.4Å; L401-L637 HydrophobicContact CB-CB 4.37Å; L401-L637 HydrophobicContact CD1-CD2 4.41Å; L401-L637 PolarHBondContact N-O 2.92Å; L401-L637 PolarHBondContact O-N 3.02Å; L401-D639 HydrophobicContact CD1-CB 3.84Å; L401-D639 HydrophobicContact CG-CB 4.49Å
402S81.2Confident70.2Confident31 Ų3166.5 Ų66.522%0.21734%0.339CS..EExtended strand (participates in β ladder)trans-86.1146.6165.9175.30000110A404 N405S402-A404 PolarHBondContact O-N 3.42Å; S402-N405 WeakPolarHBondContact O-CB 3.41Å; S402-N405 PolarHBondContact O-N 2.97Å
403R65.3Low67Low170 Ų17073.1 Ų73.164%0.64238%0.375SS*.Hα-helixtrans-53.4-35.9179-173174.3178.2158.33.8113.4N405 T406 E407R403-N405 PolarHBondContact O-N 3.18Å; R403-N405 VanDerWaalsContact O-N 3.11Å; R403-T406 WeakPolarHBondContact CA-OG1 3.42Å; R403-T406 PolarHBondContact O-N 3.26Å; R403-T406 VanDerWaalsContact O-N 3.15Å; R403-T406 PolarHBondContact O-OG1 2.86Å; R403-E407 IonicContact NE-OE1 2.64Å
404A57.2Low64.3Low61 Ų6181.5 Ų81.550%0.50441%0.414SS..Hα-helixtrans-62.5-17.1176.800000114.4S402S402-A404 PolarHBondContact O-N 3.42Å
405N51.6Low61.2Low105 Ų10588.1 Ų88.156%0.56145%0.449SS*.Hα-helixtrans-97.9-19.2178-66.2-12.8000112.9S402 R403S402-N405 WeakPolarHBondContact O-CB 3.41Å; S402-N405 PolarHBondContact O-N 2.97Å; R403-N405 PolarHBondContact O-N 3.18Å; R403-N405 VanDerWaalsContact O-N 3.11Å
406T51.4Low58.2Low33 Ų3391.6 Ų91.620%0.20249%0.489CS..Hα-helixtrans-76.4-34.8-179.735.70000113.1L401 R403 K408 S409 L637L401-T406 HydrophobicContact CD1-CG2 4.26Å; R403-T406 WeakPolarHBondContact CA-OG1 3.42Å; R403-T406 PolarHBondContact O-N 3.26Å; R403-T406 VanDerWaalsContact O-N 3.15Å; R403-T406 PolarHBondContact O-OG1 2.86Å; T406-K408 VanDerWaalsContact C-N 3.29Å; T406-K408 PolarHBondContact O-N 2.84Å; T406-S409 PolarHBondContact O-N 2.84Å; T406-S409 PolarHBondContact O-OG 2.98Å; T406-L637 HydrophobicContact CG2-CD2 4.33Å
407E42.4Very low55.1Low126 Ų126102.2 Ų102.259%0.58953%0.529SS*.G310 helixtrans-65.7-31.8-179-71.3157-162.500112R403 S409R403-E407 IonicContact NE-OE1 2.64Å; E407-S409 PolarHBondContact O-N 3.45Å
408K39.3Very low52.2Low180 Ų180110.2 Ų110.278%0.78357%0.572SS**G310 helixtrans-75-2.8176.4-64.9-177.8179.8177.80114.9T406T406-K408 VanDerWaalsContact C-N 3.29Å; T406-K408 PolarHBondContact O-N 2.84Å
409S37.9Very low49.3Very low78 Ų78117.5 Ų117.555%0.54561%0.606SS.*G310 helixtrans-92.7-4.7-179.266.50000114.4T406 E407T406-S409 PolarHBondContact O-N 2.84Å; T406-S409 PolarHBondContact O-OG 2.98Å; E407-S409 PolarHBondContact O-N 3.45Å
410Y34.6Very low46.3Very low171 Ų171118.3 Ų118.367%0.67162%0.62SS**  trans-99.954.5171.9-60.6-73.3000111.1
411G31.6Very low43.6Very low62 Ų62122.2 Ų122.264%0.63964%0.644SS**  trans-84.9133.4166.400000109.9D413G411-D413 PolarHBondContact O-N 3.46Å
412I36Very low41Very low163 Ų163128 Ų12884%0.83667%0.672SS**  trans-64.6128.7170.4-63168.4000107.9
413D31.9Very low38.7Very low150 Ų150135 Ų13580%0.80270%0.699SS**  trans-90.9111.4172-142.8-5.2000108G411 N415G411-D413 PolarHBondContact O-N 3.46Å; D413-N415 PolarHBondContact O-N 3.36Å
414E40Very low37.2Very low177 Ų177133.6 Ų133.683%0.82770%0.704SS**SBendtrans-75.568.8-178.6-71.6-171.9146.300111.4
415N33Very low36Very low141 Ų141134.9 Ų134.975%0.75470%0.701SS**  trans-149.9102.4163.9-92.4-69.4000109.8D413 R417D413-N415 PolarHBondContact O-N 3.36Å; N415-R417 PolarHBondContact O-N 3.43Å
416G35.8Very low35.5Very low89 Ų89134.5 Ų134.592%0.91870%0.695SS**  trans-66.395.5-178.900000113
417R31Very low35Very low233 Ų233136.1 Ų136.188%0.87971%0.707SS**  trans-138.4122161.1-67.9-170.9179.5-169-0.1109.1N415 E419N415-R417 PolarHBondContact O-N 3.43Å; R417-E419 VanDerWaalsContact C-N 3.33Å; R417-E419 PolarHBondContact O-N 2.89Å
418D35.8Very low35.2Very low169 Ų169132.1 Ų132.190%0.90469%0.688SS**  trans-68.786.7174.3-85.3-50000111.2N420D418-N420 PolarHBondContact O-N 3.12Å
419E30.8Very low35.5Very low152 Ų152125.9 Ų125.971%0.7166%0.661SS**  trans-81.3104.7159.6-102.1-153.9-142.500109.9R417 T421R417-E419 VanDerWaalsContact C-N 3.33Å; R417-E419 PolarHBondContact O-N 2.89Å; E419-T421 PolarHBondContact O-N 2.82Å; E419-T421 WeakPolarHBondContact OE2-CB 3.16Å; E419-T421 PolarHBondContact OE2-OG1 3.26Å
420N30.7Very low35.8Very low145 Ų145124.8 Ų124.878%0.77565%0.645SS**  trans-71.832.8176.4-128.1-55.3000113D418D418-N420 PolarHBondContact O-N 3.12Å
421T32.4Very low36.2Very low99 Ų99122.2 Ų122.261%0.60764%0.637SS**  trans-91.46-168.7-48.90000112.3E419 K423E419-T421 PolarHBondContact O-N 2.82Å; E419-T421 WeakPolarHBondContact OE2-CB 3.16Å; E419-T421 PolarHBondContact OE2-OG1 3.26Å; T421-K423 PolarHBondContact O-N 3.42Å
422M31.2Very low36.6Very low153 Ų153120.1 Ų120.175%0.75461%0.611SS**  trans-76.28.8-170.5-140.8173-162.400115.8N424 I425M422-N424 PolarHBondContact O-N 3.05Å; M422-I425 HydrophobicContact CE-CD1 4.1Å; M422-I425 HydrophobicContact CG-CD1 3.53Å
423K33.5Very low36.4Very low179 Ų179118.1 Ų118.178%0.77860%0.598SS**THydrogen-bonded Turntrans-96.669.7-177.6-70.6179.5177.9171.90113.4T421T421-K423 PolarHBondContact O-N 3.42Å
424N32Very low36.4Very low140 Ų140114.1 Ų114.175%0.74958%0.579SS**THydrogen-bonded Turntrans178.417.1152.3-96.7-37.1000116M422 F426M422-N424 PolarHBondContact O-N 3.05Å; N424-F426 VanDerWaalsContact C-N 3.28Å; N424-F426 PolarHBondContact O-N 2.88Å
425I32Very low35.7Very low87 Ų87109 Ų10945%0.44657%0.567SS.*  trans-67-13.8-161.4-67.3-179.8000116.2M422M422-I425 HydrophobicContact CE-CD1 4.1Å; M422-I425 HydrophobicContact CG-CD1 3.53Å
426F41.7Very low35.3Very low98 Ų98107 Ų10743%0.4356%0.563SS.*SBendtrans-126.298.7177.4-79.3-87.9000112.9N424 K429N424-F426 VanDerWaalsContact C-N 3.28Å; N424-F426 PolarHBondContact O-N 2.88Å; F426-K429 HydrophobicContact CE1-CD 4.46Å
427S40.5Very low34.8Very low66 Ų66106.4 Ų106.446%0.46255%0.545SS..SBendtrans-152.2-2.9163-480000114.7
428K47.7Very low34.5Very low42 Ų42102.3 Ų102.318%0.18354%0.541CS..SBendtrans-138.919.5-164.6-60.4-169.1-178.5-163.90115.8Y396 A640 R648Y396-K428 WeakPolarHBondContact OH-CA 3.13Å; Y396-K428 PolarHBondContact OH-O 2.64Å; K428-A640 HydrophobicContact CB-CB 4.37Å; K428-A640 PolarHBondContact O-N 3.46Å; K428-R648 HydrophobicContact CD-CB 4.32Å; K428-R648 WeakPolarHBondContact CE-O 3.22Å; K428-R648 PolarHBondContact NZ-O 3.47Å
429K45.8Very low34.1Very low49 Ų4999 Ų9921%0.21353%0.529CS..EExtended strand (participates in β ladder)trans-114.6111.1178.4-75.8175.8175.7175.70110F426 L637 L638 D639F426-K429 HydrophobicContact CE1-CD 4.46Å; K429-L637 HydrophobicContact CB-CD1 4.31Å; K429-L637 HydrophobicContact CB-CD2 4.11Å; K429-L637 HydrophobicContact CB-CG 4.43Å; K429-L637 HydrophobicContact CD-CD2 4.17Å; K429-L637 HydrophobicContact CG-CD2 4.05Å; K429-L638 WeakPolarHBondContact CA-O 3.2Å; K429-D639 WeakPolarHBondContact CE-OD2 3.32Å; K429-D639 HydrophobicContact CG-CB 4.18Å
430R43Very low33.7Very low56 Ų56101.1 Ų101.121%0.21154%0.539CS..EExtended strand (participates in β ladder)trans-106.2123.8179.5178.4175.9-179.5128.89.1111.1Y396 L637 L638Y396-R430 HydrophobicContact CE1-CB 4.37Å; R430-L637 WeakPolarHBondContact O-CA 3.43Å; R430-L637 WeakPolarHBondContact O-CD1 3.47Å; R430-L638 PolarHBondContact N-O 2.89Å; R430-L638 PolarHBondContact O-N 2.99Å
431K43.8Very low33.4Very low116 Ų11699.9 Ų99.950%0.50454%0.537SS..EExtended strand (participates in β ladder)trans-68.6130.4169.2-167.2179.4170.6-162.90109E433 V635K431-E433 VanDerWaalsContact C-N 3.33Å; K431-E433 HydrophobicContact CB-CG 4.2Å; K431-E433 HydrophobicContact CD-CG 3.73Å; K431-E433 VanDerWaalsContact CD-OE1 3.24Å; K431-E433 WeakPolarHBondContact CD-OE1 3.32Å; K431-E433 WeakPolarHBondContact CE-OE1 3.34Å; K431-E433 HydrophobicContact CG-CG 3.7Å; K431-E433 IonicContact NZ-OE1 2.67Å; K431-E433 PolarHBondContact NZ-OE1 3.3Å; K431-E433 PolarHBondContact O-N 3.36Å; K431-V635 HydrophobicContact CG-CG1 3.87Å
432L40.6Very low33Very low18 Ų18103.9 Ų103.99%0.09455%0.549CS..  trans-90.175.4-179.8-163.456000109.1L400 F636 L638 N671 P673 V675L400-L432 HydrophobicContact CD1-CD2 4.39Å; L432-F636 HydrophobicContact CB-CB 4.47Å; L432-F636 WeakPolarHBondContact CB-O 3.44Å; L432-F636 HydrophobicContact CD2-CB 4.28Å; L432-F636 PolarHBondContact N-O 3.08Å; L432-L638 HydrophobicContact CD1-CD1 4.46Å; L432-N671 WeakPolarHBondContact CD2-O 3.18Å; L432-P673 HydrophobicContact CD1-CG 4.05Å; L432-V675 HydrophobicContact CD1-CG2 3.82Å
433E31.9Very low32.6Very low121 Ų121102.8 Ų102.857%0.56555%0.55SS**  trans-79.6134.4179.8-61.5-169.214000111.6K431K431-E433 VanDerWaalsContact C-N 3.33Å; K431-E433 HydrophobicContact CB-CG 4.2Å; K431-E433 HydrophobicContact CD-CG 3.73Å; K431-E433 VanDerWaalsContact CD-OE1 3.24Å; K431-E433 WeakPolarHBondContact CD-OE1 3.32Å; K431-E433 WeakPolarHBondContact CE-OE1 3.34Å; K431-E433 HydrophobicContact CG-CG 3.7Å; K431-E433 IonicContact NZ-OE1 2.67Å; K431-E433 PolarHBondContact NZ-OE1 3.3Å; K431-E433 PolarHBondContact O-N 3.36Å
434V30.8Very low32.1Very low66 Ų66101.5 Ų101.540%0.455%0.551SS.*  trans-75.3124.3161.5178.50000106.5C436V434-C436 VanDerWaalsContact C-N 3.34Å; V434-C436 PolarHBondContact O-N 2.85Å
435A26.3Very low31.7Very low70 Ų70100.7 Ų100.758%0.57955%0.554SS**  trans-71.387.5-179.400000111.5
436C23.7Very low31.3Very low99 Ų99104.8 Ų104.867%0.66958%0.576SS**  trans-91.5131.9148.8-67.10000107.2V434V434-C436 VanDerWaalsContact C-N 3.34Å; V434-C436 PolarHBondContact O-N 2.85Å
437S26.6Very low30.6Very low77 Ų77103.4 Ų103.454%0.53859%0.589SS.*  trans-10494.6174.2-177.60000106.8C439S437-C439 PolarHBondContact O-N 3.19Å; S437-C439 VanDerWaalsContact O-N 3.17Å
438D24.6Very low29.9Very low147 Ų147107.6 Ų107.679%0.78661%0.605SS**  trans-73.6109.6-179.4-60.9-29.6000108.7
439C26.2Very low28.8Very low98 Ų98114.2 Ų114.266%0.66264%0.637SS**  trans-137.787174.3-69.70000106.4S437 V441S437-C439 PolarHBondContact O-N 3.19Å; S437-C439 VanDerWaalsContact O-N 3.17Å; C439-V441 PolarHBondContact O-N 2.78Å
440E23.1Very low27.7Very low197 Ų197117.2 Ų117.292%0.92166%0.659SS**  trans-65.8124.5176.4-64.5-174.1143.600109.3
441V25.2Very low26.9Very low120 Ų120123.3 Ų123.373%0.72769%0.69SS**  trans-125.2106.4172.2177.60000106.4C439 V443C439-V441 PolarHBondContact O-N 2.78Å; V441-V443 PolarHBondContact O-N 2.84Å
442E22.3Very low26.1Very low183 Ų183123.3 Ų123.386%0.85570%0.702SS**  trans-65.5117173.7-66.7-169.1130.800109.8L444E442-L444 PolarHBondContact O-N 3.02Å
443V23.7Very low25.3Very low129 Ų129133.5 Ų133.578%0.78274%0.739SS**  trans-92.798.3175.1-179.70000108.6V441 P445V441-V443 PolarHBondContact O-N 2.84Å; V443-P445 WeakPolarHBondContact O-CD 3.15Å
444L22.2Very low24.9Very low152 Ų152133.9 Ų133.980%0.79675%0.749SS**  trans-69.5121.7168.1-69.1174.7000109.8E442 L446E442-L444 PolarHBondContact O-N 3.02Å; L444-L446 PolarHBondContact O-N 3.06Å
445P23.3Very low24.6Very low124 Ų124135.2 Ų135.281%0.80577%0.768SS**  trans-78.4104.7178.330.8-32.9000110.6V443V443-P445 WeakPolarHBondContact O-CD 3.15Å
446L25.6Very low24.5Very low173 Ų173142 Ų14291%0.90678%0.784SS**  trans-81.3120.6169.4-111.5158000109.7L444L444-L446 PolarHBondContact O-N 3.06Å
447G25.3Very low24.6Very low68 Ų68143.5 Ų143.570%0.70179%0.791SS**  trans-64.8141.9-174.500000113.4
448L25.7Very low24.4Very low154 Ų154147.1 Ų147.181%0.80680%0.799SS**  trans-98.190.3-179.2-160.7163.4000109.3T450L448-T450 HydrophobicContact CD2-CG2 4.09Å; L448-T450 PolarHBondContact O-N 3.35Å
449E25Very low24.3Very low181 Ų181148.3 Ų148.385%0.84680%0.797SS**  trans-68.3124.7175.9-72.9-160158.700111.6
450T24.1Very low24.4Very low113 Ų113149.7 Ų149.769%0.69381%0.806SS**  trans-99.9111.5-177.253.40000112L448L448-T450 HydrophobicContact CD2-CG2 4.09Å; L448-T450 PolarHBondContact O-N 3.35Å
451H24.8Very low24.8Very low184 Ų184146 Ų14685%0.85280%0.799SS**  trans-133.3121.2161-79-42.2000112.2
452P27Very low25.4Very low116 Ų116145.5 Ų145.575%0.75380%0.799SS**  trans-100.7153.1-175.937.3-33.9000113.2
453R23.4Very low25.6Very low232 Ų232145.3 Ų145.388%0.87580%0.795SS**  trans-162.5120.3144.7-116.1170.2-169.9-166.52.1116.1
454T23.5Very low25.6Very low128 Ų128148.5 Ų148.579%0.78580%0.799SS**  trans43.9122.8137.5550000121.1
455A25.2Very low25.7Very low95 Ų95145.9 Ų145.979%0.78579%0.793SS**  trans-76.4167.4170.100000114.5
456K24.6Very low25.8Very low212 Ų212146.9 Ų146.992%0.92279%0.792SS**  trans-156.2153.8140-110.5166.6-171.6-1800111.7
457T24.5Very low25.9Very low131 Ų131146.1 Ų146.180%0.80479%0.789SS**  trans-100.8149.5-174-35.70000110.4
458E24.3Very low26.9Very low153 Ų153148.3 Ų148.372%0.71579%0.791SS**  trans-165.7127.4133.4-109.4-178.2150.800117
459K22.2Very low26.8Very low171 Ų171151 Ų15174%0.74380%0.796SS**  trans36.1125.8136.6-62166-168.3161.70122.3
460C27.5Very low26.8Very low127 Ų127150.6 Ų150.686%0.85879%0.794SS**  trans-90.2156.3147.2-50.60000111.2
461P31.4Very low26.6Very low119 Ų119151.7 Ų151.777%0.77380%0.795SS**  -149.6-171.3123.839.4-21.4000113.1
462P38.5Very low26.4Very low110 Ų110148.4 Ų148.471%0.71479%0.788SS**  -138.6147.7-60.439.9-24000117
463K26.6Very low26.3Very low180 Ų180148.6 Ų148.678%0.78379%0.786SS**  trans56.4160.9139.6-69-172.9174.7-178.30124.2
464F24.2Very low26.3Very low195 Ų195145.5 Ų145.586%0.85578%0.782SS**  trans82.9142.2167.6-59.2-74000117
465S24Very low26.4Very low98 Ų98146.4 Ų146.469%0.68579%0.788SS**  cis-161.3143.6-9.849.50000114.7
466N24.2Very low26.3Very low145 Ų145151.2 Ų151.278%0.77579%0.791SS**  trans35119.8145.7-61.51.3000123.6
467N27.4Very low26.3Very low157 Ų157151.4 Ų151.484%0.8479%0.787SS**  trans81.8156.6130.3-76.26.2000121.9
468P46.2Very low26.3Very low114 Ų114152.8 Ų152.874%0.7479%0.79SS**  trans-115.8173.9-144.742.9-35.8000115.7
469K25Very low26.5Very low211 Ų211152.4 Ų152.492%0.91779%0.792SS**  trans-158.7150.9152.5-113.5162.7-173.8178.80114.6
470E23.5Very low26.7Very low171 Ų171152.3 Ų152.380%0.79980%0.799SS**  trans-49.4163.8159.7-94.5171.4127.800114.7
471L20.7Very low26.7Very low136 Ų136151.1 Ų151.171%0.71279%0.792SS**  cis-165.9171.41.7-178.369.1000109.5
472T21.3Very low26.5Very low115 Ų115156.8 Ų156.871%0.70680%0.797SS**  trans96.5147.6141.1-30000122.2
473V23.3Very low25.9Very low120 Ų120158.1 Ų158.173%0.72780%0.797SS**  trans83.4107.6160.2-177.30000119.4
474E24.2Very low25.8Very low167 Ų167155.9 Ų155.978%0.7879%0.79SS**  trans34.9137.1140.8-55.7-174.1164.700123.1
475T25.1Very low25.8Very low148 Ų148157.5 Ų157.591%0.90879%0.792SS**  -149.6162.9128-10.20000110.6
476K23.3Very low25.9Very low196 Ų196160.9 Ų160.985%0.85280%0.796SS**  trans-88168.4-169.9-68.5173.6-179.4172.10113
477Y25.2Very low25.9Very low216 Ų216159.9 Ų159.985%0.84780%0.801SS**  trans-51.4144.4165.9-80.7-103.9000112.2
478D25.3Very low25.7Very low159 Ų159158 Ų15885%0.8580%0.795SS**  trans-151.3157.5134.9-120.6-37000111.5
479N26.7Very low24.7Very low145 Ų145159.5 Ų159.578%0.77580%0.795SS**  trans-96.6134.7-175.3-70.4-75.2000112.1
480I27.4Very low24.7Very low170 Ų170160.5 Ų160.587%0.87279%0.793SS**  trans-128.2139.3162.5-63.1-174.4000111.3
481S27.3Very low24.9Very low102 Ų102159.1 Ų159.171%0.71379%0.791SS**  trans-70.7163.3-160.945.60000118
482R26.9Very low25.2Very low237 Ų237158.7 Ų158.789%0.89480%0.796SS**  trans-63.6141.3160.7-62.5174.1174.8178.2-2.2111.5
483I26.2Very low25.4Very low139 Ų139162.2 Ų162.271%0.71381%0.805SS**  trans-142.6111.5152.7-56.5179.1000104.5
484Q24.7Very low25.6Very low133 Ų133161.1 Ų161.162%0.62180%0.803SS**  cis70.18449.3-165.6169.4-1.400113.8H486Q484-H486 PolarHBondContact NE2-NE2 3.39Å
485Y23.8Very low25.6Very low228 Ų228162.5 Ų162.589%0.89481%0.806SS**PPolyproline II helixtrans-99.1121.4164.2-89.5-84.2000110.8
486H25.3Very low25.4Very low169 Ų169161.4 Ų161.478%0.78280%0.799SS**PPolyproline II helixtrans-86147.4170.6-86.7-93.8000111Q484 V488Q484-H486 PolarHBondContact NE2-NE2 3.39Å; H486-V488 HydrophobicContact CB-CG2 4.42Å; H486-V488 PolarHBondContact O-N 3.36Å
487S24.8Very low25.4Very low124 Ų124157.1 Ų157.187%0.86780%0.801SS**PPolyproline II helixtrans-66.3124.5160-49.50000109
488V24.4Very low25.3Very low118 Ų118153.3 Ų153.372%0.71579%0.793SS**  trans-126112.3173.5177.90000109.1H486H486-V488 HydrophobicContact CB-CG2 4.42Å; H486-V488 PolarHBondContact O-N 3.36Å
489I25.5Very low25.2Very low146 Ų146155.9 Ų155.975%0.74980%0.797SS**  trans-70144.7167.4-64164.3000108
490R24.4Very low25Very low232 Ų232156.8 Ų156.888%0.87580%0.797SS**  trans-131.9112.5162.8-74.9-164.1-175.8-159.74.2109.9
491D26.8Very low24.8Very low142 Ų142157.7 Ų157.776%0.75980%0.797SS**PPolyproline II helixtrans-78152.7163.1-57.8-68.5000110.7
492P28Very low24.7Very low126 Ų126159.8 Ų159.882%0.81880%0.8SS**PPolyproline II helixtrans-101.7117.4171.934.7-28.4000112.7
493E25.8Very low24.5Very low189 Ų189151.9 Ų151.988%0.88379%0.793SS**PPolyproline II helixtrans-92.3152.9161-75.9-171.416900110.3
494S26Very low24.5Very low98 Ų98155.5 Ų155.569%0.68580%0.803SS**  cis-165.8165.4-8.250.60000109.4
495K24.4Very low24.5Very low196 Ų196157.2 Ų157.285%0.85281%0.809SS**  trans-175.2108.3139.6-104.7159.8-1731750115.2
496T22.3Very low24.4Very low125 Ų125155.2 Ų155.277%0.76781%0.81SS**  trans38.9111.3137.3-37.60000121.1I498T496-I498 HydrophobicContact CG2-CG1 4.44Å
497A23.1Very low24.2Very low106 Ų106153.1 Ų153.188%0.87680%0.8SS**  trans-139.3152.1137.900000109
498I21.5Very low24.1Very low135 Ų135156.6 Ų156.669%0.69280%0.8SS**  trans-113.7136.4-167.9-64164.2000110.4T496T496-I498 HydrophobicContact CG2-CG1 4.44Å
499F23Very low24Very low214 Ų214156.8 Ų156.894%0.93980%0.801SS**  trans-153.9135139.1-100-67.7000111.2
500Q23Very low23.9Very low164 Ų164154.7 Ų154.777%0.76680%0.8SS**  trans-110.9148.9170.3-68.8178.8-31.700109.4
501H24.7Very low23.9Very low188 Ų188148.2 Ų148.287%0.8779%0.79SS**  trans-154.4152.6135.5-134.4-90.3000113.6
502N24.1Very low23.8Very low147 Ų147149.8 Ų149.879%0.78679%0.792SS**  trans-89.1124-170.6-74.1-42.9000114.2
503G23.3Very low23.7Very low71 Ų71148.6 Ų148.673%0.73279%0.787SS**  40.9154.7117.600000124.1
504K26.5Very low23.6Very low215 Ų215146.2 Ų146.294%0.93579%0.785SS**  trans-163.1159140.7-110.9168-174.4178.70112
505K23.7Very low23.8Very low169 Ų169147.7 Ų147.774%0.73579%0.79SS**  trans-67.8157.1175.5-66.3179.2155.2-154.50112.3E507K505-E507 IonicContact NZ-OE2 2.61Å; K505-E507 PolarHBondContact NZ-OE2 2.92Å
506M22.6Very low24.5Very low186 Ų186142.7 Ų142.792%0.91678%0.778SS**  -147.8180111.7-145.6145.8-172.300111.1
507E20.3Very low24.7Very low125 Ų125145.1 Ų145.158%0.58478%0.781SS**  trans-160.7139.1-142.2170.5174.917800110.3K505K505-E507 IonicContact NZ-OE2 2.61Å; K505-E507 PolarHBondContact NZ-OE2 2.92Å
508F23.2Very low25Very low196 Ų196146.4 Ų146.486%0.8677%0.773SS**  trans-177.1105.5153.5-94.1-69.9000106.6
509V22.4Very low25.2Very low122 Ų122145.8 Ų145.874%0.73977%0.771SS**  91.4146.880.8164.50000112.8
510S22.7Very low25.5Very low103 Ų103142.4 Ų142.472%0.7276%0.763SS**  trans-114.7-169.3-157.6-50.30000113.6
511S24.8Very low25.5Very low96 Ų96137.4 Ų137.467%0.67176%0.755SS**  trans82.7143.6148.6-63.10000118.1
512E23.7Very low25.5Very low174 Ų174138 Ų13881%0.81376%0.755SS**  cis-160.3-174.8-20.2-128155.6139.400111.8
513S25.6Very low25.7Very low102 Ų102140.1 Ų140.171%0.71376%0.758SS**  trans-72.5153.3-178.254.20000115.7
514V23.8Very low27Very low139 Ų139142 Ų14284%0.84276%0.757SS**  trans-136.5132.5151.2-178.80000110.1
515T30.7Very low27.3Very low128 Ų128137.6 Ų137.679%0.78575%0.75SS**  trans-132.4161.1156.660.50000106.8
516P38.5Very low27.6Very low91 Ų91139.9 Ų139.959%0.59175%0.754SS**  -152-179.486.541.1-22.5000115.3
517E27.8Very low27.7Very low177 Ų177139.7 Ų139.783%0.82775%0.751SS**  trans57.9147.6146.4-75.3152.1-134.600120.6
518D28.5Very low27.9Very low133 Ų133140.4 Ų140.471%0.71175%0.754SS**  cis-170.6174.1-20.3-144.810.3000106.9
519N27Very low28Very low121 Ų121137.7 Ų137.765%0.64775%0.748SS**  cis-152.8-160.7-7.1-155.7-48.4000107.3
520D27.7Very low28.2Very low144 Ų144138.3 Ų138.377%0.7775%0.747SS**  trans64.4145.7169.5-74.4-36.3000118.3
521G24.3Very low28.5Very low59 Ų59137.2 Ų137.261%0.60874%0.739SS**  cis171.5152.6-6.900000113.7
522F25.2Very low28.7Very low199 Ų199141.5 Ų141.587%0.87375%0.746SS**  trans73126.3162.1-63.6-83.1000123.5
523K27.1Very low28.9Very low193 Ų193139 Ų13984%0.83974%0.743SS**  trans-122.4-166140.3-68.8-179.1175.2176.30106.8
524P50.6Low29Very low111 Ų111143.9 Ų143.972%0.72175%0.751SS**  -105.6-169.6-84.139.7-25.5000111.5
525P32.7Very low29.1Very low122 Ų122140.5 Ų140.579%0.79275%0.745SS**  -141.6163.9109.341.1-28.8000112.1
526R29.4Very low29Very low217 Ų217139.4 Ų139.482%0.81975%0.748SS**  cis74.4117.133.1-104.3-165.4-176-165.33.2116
527E25.1Very low28.5Very low182 Ų182143 Ų14385%0.8576%0.757SS**  trans167.7171.7143.8-95.2-169-179.700109.4
528H24.6Very low28.5Very low139 Ų139143.4 Ų143.464%0.64476%0.756SS**  -162-173.9-63.1-125.6-76.6000109.1
529L26.6Very low28.4Very low139 Ų139143.3 Ų143.373%0.72876%0.756SS**  trans75.8128168.8-63.1119.1000115.9
530N25.1Very low28.5Very low135 Ų135142.8 Ų142.872%0.72276%0.762SS**  cis98.6140.140.5-77.1-24.4000111.8
531S30.4Very low28.4Very low80 Ų80141.2 Ų141.256%0.55976%0.762SS**  cis-174.8174.5-3.855.60000112.4
532K28.7Very low28.7Very low186 Ų186143.7 Ų143.781%0.80977%0.77SS**  trans72.7150.4156.8-64.4161.8-175172.40116.7
533T27.1Very low28.9Very low122 Ų122141.2 Ų141.275%0.74877%0.766SS**  cis-1501661-100000113.9
534K28.3Very low28.8Very low205 Ų205139.5 Ų139.589%0.89176%0.76SS**  trans-35.3154.7167.8-54165.1-179.9-179.40116.2
535G24.8Very low27.7Very low68 Ų68140 Ų14070%0.70176%0.761SS**  cis153.1173.5-5.300000114.3
536A28.6Very low27.3Very low104 Ų104141.3 Ų141.386%0.8676%0.761SS**  trans70.2143.7170.100000117.8
537Q28.6Very low27.3Very low168 Ų168139.4 Ų139.479%0.78576%0.762SS**  cis-158.6178.7-9.7-145.4-178.4-12.700111
538K27.7Very low27.4Very low184 Ų184140.4 Ų140.480%0.876%0.764SS**  trans81.199.4-178.6-61.7-172.9175.2-177.40114.5
539D26Very low27.4Very low132 Ų132141.6 Ų141.671%0.70677%0.77SS**  73.8132.364.3-56.3-31.3000111.6
540S28.9Very low27.6Very low110 Ų110142.9 Ų142.977%0.76978%0.777SS**  cis-177.1154.8-10.447.90000107.2
541S27.5Very low27.5Very low111 Ų111143.2 Ų143.278%0.77678%0.779SS**  cis-162.6138.5-8.447.70000108.9
542S30.5Very low27.6Very low111 Ų111146.2 Ų146.278%0.77679%0.788SS**  trans-110.2135.7169.555.80000110.7
543N27.9Very low27.4Very low147 Ų147145.4 Ų145.479%0.78679%0.791SS**  trans-157.3146.9171.6-86-32.8000108.6
544H25.5Very low27.4Very low157 Ų157147 Ų14773%0.72779%0.794SS**  cis-154.6162.6-28.2-152-93000106.6
545V27.7Very low27.7Very low120 Ų120145.3 Ų145.373%0.72779%0.789SS**  trans-99.3138165.3175.70000107.8
546D23.4Very low27.8Very low150 Ų150146.5 Ų146.580%0.80279%0.787SS**  trans-146149.7152.9-89.9-48.4000108.3
547E31.2Very low27.7Very low178 Ų178148 Ų14883%0.83278%0.78SS**  trans-87.2152.9-174-60.9175.6112.500112
548F25.5Very low27.8Very low202 Ų202146.9 Ų146.989%0.88679%0.785SS**  trans-143.6155.1157.3-97.2-72.6000112
549E25.3Very low27.6Very low165 Ų165144.8 Ų144.877%0.77178%0.781SS**  trans-73.5162-151.2-59.8166.2109.300117
550D30.5Very low27.8Very low165 Ų165143.8 Ų143.888%0.88278%0.775SS**  trans-44.7134.1166.6-91.4-52.4000113
551N24.4Very low27.8Very low142 Ų142145.7 Ų145.776%0.75978%0.776SS**  trans-135.6114.6164.7-97.4-85.3000112L553N551-L553 PolarHBondContact O-N 2.78Å; N551-L553 VanDerWaalsContact O-N 3.14Å
552L31.6Very low28.1Very low143 Ų143145.9 Ų145.975%0.74977%0.772SS**  trans-67.2103.1175.1-78.4160.2000111
553L25.2Very low28Very low169 Ų169147.9 Ų147.989%0.88577%0.767SS**PPolyproline II helixtrans-97.9143.7169-70.4175.8000112N551N551-L553 PolarHBondContact O-N 2.78Å; N551-L553 VanDerWaalsContact O-N 3.14Å
554I26.1Very low27.9Very low157 Ų157150.7 Ų150.781%0.80577%0.768SS**PPolyproline II helixtrans-93.5138.3-162.7-68.1168.5000111.1S556I554-S556 PolarHBondContact O-N 2.98Å
555E35.7Very low27.9Very low168 Ų168152.7 Ų152.779%0.78577%0.769SS**PPolyproline II helixtrans-61.5124168.4-63.8-178.6115.900111.1R681E555-R681 IonicContact OE2-NH1 2.61Å
556S27Very low28Very low94 Ų94156 Ų15666%0.65778%0.777SS**  trans-141.7155.4157.382.30000112.6I554I554-S556 PolarHBondContact O-N 2.98Å
557D26.4Very low28Very low134 Ų134155.2 Ų155.272%0.71777%0.768SS**  trans64.270158.6-47.9-46.5000119I559D557-I559 PolarHBondContact O-N 2.88Å
558V29.3Very low27.8Very low145 Ų145153.1 Ų153.188%0.87977%0.768SS**  trans-70.5104.7155.6177.90000109.6D560V558-D560 PolarHBondContact O-N 3.1Å
559I24.5Very low28Very low140 Ų140148.8 Ų148.872%0.71876%0.76SS**  trans-80.9105.2174.3-55.7-179.3000110.1D557 I561D557-I559 PolarHBondContact O-N 2.88Å; I559-I561 HydrophobicContact CG2-CD1 4.43Å; I559-I561 HydrophobicContact CG2-CG1 3.83Å; I559-I561 PolarHBondContact O-N 3.21Å; I559-I561 VanDerWaalsContact O-N 3.17Å
560D30.4Very low28.1Very low111 Ų111146.8 Ų146.859%0.59476%0.761SS**  trans-79.787.4177.5-175.99000111.8V558 T562V558-D560 PolarHBondContact O-N 3.1Å; D560-T562 PolarHBondContact O-N 2.87Å; D560-T562 PolarHBondContact OD1-OG1 3Å
561I28.6Very low27.9Very low151 Ų151150.9 Ų150.977%0.77476%0.764SS**  trans-81.263.2177.2-44.8-179.5000110.8I559I559-I561 HydrophobicContact CG2-CD1 4.43Å; I559-I561 HydrophobicContact CG2-CG1 3.83Å; I559-I561 PolarHBondContact O-N 3.21Å; I559-I561 VanDerWaalsContact O-N 3.17Å
562T33.2Very low28Very low115 Ų115149.9 Ų149.971%0.70677%0.769SS**  trans-125.728.2166.374.20000113D560D560-T562 PolarHBondContact O-N 2.87Å; D560-T562 PolarHBondContact OD1-OG1 3Å
563K29.1Very low27.6Very low153 Ų153154.1 Ų154.167%0.66577%0.774SS**  trans-113.6126178.9-98.3-177.2163.8-167.50111.8
564Y25.2Very low27.5Very low206 Ų206151.7 Ų151.781%0.80877%0.77SS**  trans58.2106.5166.6-70.1-76.1000118.7
565R25.8Very low27.4Very low199 Ų199150.3 Ų150.375%0.75176%0.764SS**  -155.5112.1106-104.2174.4179.8-131-7.8109.7E567R565-E567 HydrophobicContact CB-CG 4.37Å; R565-E567 HydrophobicContact CG-CG 4.25Å; R565-E567 IonicContact CZ-OE1 2.67Å; R565-E567 VanDerWaalsContact CZ-OE1 3.29Å; R565-E567 IonicContact CZ-OE2 2.89Å; R565-E567 IonicContact NE-OE1 2.67Å; R565-E567 IonicContact NH1-OE1 3.93Å; R565-E567 PolarHBondContact NH1-OE1 2.84Å; R565-E567 IonicContact NH1-OE2 3.29Å; R565-E567 PolarHBondContact NH1-OE2 2.92Å; R565-E567 IonicContact NH2-OE1 2.8Å
566E29.4Very low27Very low190 Ų190151.2 Ų151.289%0.88877%0.769SS**  trans-88.1110154.5-72.1-179.5132.100106
567E23.9Very low26.8Very low133 Ų133151.2 Ų151.262%0.62178%0.775SS**  trans-117.8118.6171.4-72.7-171.1132.600109R565R565-E567 HydrophobicContact CB-CG 4.37Å; R565-E567 HydrophobicContact CG-CG 4.25Å; R565-E567 IonicContact CZ-OE1 2.67Å; R565-E567 VanDerWaalsContact CZ-OE1 3.29Å; R565-E567 IonicContact CZ-OE2 2.89Å; R565-E567 IonicContact NE-OE1 2.67Å; R565-E567 IonicContact NH1-OE1 3.93Å; R565-E567 PolarHBondContact NH1-OE1 2.84Å; R565-E567 IonicContact NH1-OE2 3.29Å; R565-E567 PolarHBondContact NH1-OE2 2.92Å; R565-E567 IonicContact NH2-OE1 2.8Å
568T27.3Very low26.8Very low134 Ų134151.4 Ų151.482%0.82278%0.781SS**PPolyproline II helixtrans-62.5131.3-178.4-44.30000110.4
569P29.3Very low26.6Very low111 Ų111150.6 Ų150.672%0.72178%0.777SS**PPolyproline II helixtrans-65.9138.5-177.926-34.4000111.8
570P26.8Very low26.6Very low123 Ų123152.5 Ų152.580%0.79979%0.787SS**PPolyproline II helixtrans-72.6140.2179.629.4-34.6000111.9S572P570-S572 PolarHBondContact O-N 3.25Å
571R27.1Very low26.4Very low250 Ų250153.5 Ų153.594%0.94379%0.793SS**PPolyproline II helixtrans-68.5116.5172.4-78.3175.9163.7171.1-6.4111.2
572S25.8Very low26.3Very low122 Ų122151.5 Ų151.585%0.85378%0.783SS**PPolyproline II helixtrans-85145.4156.651.80000110.6P570P570-S572 PolarHBondContact O-N 3.25Å
573R23.3Very low26Very low231 Ų231153.2 Ų153.287%0.87278%0.783SS**  trans-111.5128.5-179.8-90.3178.8162.8175.8-5.9111.2
574C22.8Very low25.9Very low118 Ų118153 Ų15380%0.79779%0.789SS**  trans-176.4151.9139.1-99.60000108.8
575N25Very low26Very low128 Ų128150.6 Ų150.668%0.68479%0.789SS**  cis-174.6166.3-34.4-107.9-3000106.4
576Q26.6Very low25.9Very low187 Ų187150 Ų15087%0.87479%0.792SS**  trans72.7111.4179.5-52.3176.24.100112.7
577A23.4Very low25.7Very low95 Ų95150.3 Ų150.379%0.78579%0.79SS**  79.1134.475.300000111.5
578T26.3Very low25.8Very low138 Ų138147.9 Ų147.985%0.84779%0.793SS**  cis-140.1157.641.8-600000113.7
579T24.2Very low25.7Very low128 Ų128148.2 Ų148.279%0.78579%0.788SS**  trans-93.3145.2176.647.90000113.7
580L25.8Very low25.4Very low179 Ų179151.3 Ų151.394%0.93779%0.793SS**  trans-149.2167.7144.9-152.960.9000110.1
581D24.6Very low25.2Very low133 Ų133150.7 Ų150.771%0.71179%0.786SS**  trans-144.4157.9-147.7-176.832.7000114.6
582N27.4Very low25Very low108 Ų108147.4 Ų147.458%0.57878%0.782SS**  trans70.2137.1154.7-98.8-54000124.8
583Q27.2Very low25Very low151 Ų151147.8 Ų147.871%0.70677%0.773SS**  trans73.5104.1140.5-76.3159.554.300125.3
584N26.7Very low25Very low149 Ų149145.6 Ų145.680%0.79777%0.773SS**  46.9150.2114.9-62.2-30.7000125.2
585I26.3Very low25Very low155 Ų155148.6 Ų148.680%0.79577%0.772SS**  trans112.697.2147.7-52.6-166.7000120.1
586K24.3Very low25.4Very low188 Ų188147.5 Ų147.582%0.81777%0.772SS**  trans44.7151.8131.8-73-177.3174.1174.70126.3
587K26Very low25.3Very low196 Ų196145.4 Ų145.485%0.85276%0.762SS**  trans79.2153.2154.5-79.6177.1173.3-171.10117.2
588A26.1Very low25.4Very low81 Ų81149 Ų14967%0.66976%0.763SS**  cis-153.1146.4-3.900000108.6
589I24Very low25.3Very low142 Ų142145.4 Ų145.473%0.72875%0.753SS**  88.8150.968.6-67.8172.8000114.6
590E23.2Very low25.3Very low176 Ų176151.1 Ų151.182%0.82276%0.76SS**  trans83125.2177-82.8146.5-128.900118.9
591V23.9Very low25.2Very low109 Ų109147.7 Ų147.766%0.66175%0.751SS**  cis110.7112.90.5-177.20000117.3I593V591-I593 HydrophobicContact CG1-CD1 4.16Å; V591-I593 HydrophobicContact CG1-CG1 4.42Å
592Q22.7Very low25.1Very low181 Ų181147.3 Ų147.385%0.84675%0.754SS**  trans-168.6128.6137.6-99.1153.275.300107.3
593I24.1Very low25Very low130 Ų130146.4 Ų146.467%0.66776%0.761SS**  71.7123.861.9-60.7167.3000109.4V591V591-I593 HydrophobicContact CG1-CD1 4.16Å; V591-I593 HydrophobicContact CG1-CG1 4.42Å
594Q24.3Very low24.8Very low186 Ų186145 Ų14587%0.86977%0.767SS**  cis-147.517639.1-145.6152.952.400115
595K23.3Very low24.6Very low181 Ų181147.2 Ų147.279%0.78777%0.772SS**  trans-128.8179.6174.6-114.8-171.6-176.3-171.60107.8
596P32.1Very low24.5Very low105 Ų105150.8 Ų150.868%0.68278%0.776SS**  cis-120.1-159.12427.6-1.5000110.6
597Q24.7Very low24.4Very low143 Ų143149.9 Ų149.967%0.66878%0.775SS**  cis-124.4-121.29.5-80-80.8-160.900113.2
598E26.6Very low24.3Very low171 Ų171148.4 Ų148.480%0.79977%0.771SS**  trans-167.7173.5-132-97.9-165.8-92.300113
599G24.5Very low24Very low62 Ų62151.5 Ų151.564%0.63978%0.781SS**  cis-169.1-161.35.800000116.3
600R24.2Very low23.9Very low248 Ų248152.5 Ų152.594%0.93678%0.78SS**  trans67.977.7-171-80.4-171.5166.5175.2-2.5117
601S22.7Very low23.7Very low106 Ų106150.3 Ų150.374%0.74178%0.783SS**  trans-79.8-173.715369.30000110.5
602T23.5Very low23.6Very low125 Ų125151.2 Ų151.277%0.76778%0.784SS**  cis-165136.3-11.411.20000105.7
603A23.7Very low23.7Very low89 Ų89151.5 Ų151.574%0.73679%0.785SS**  60.6109.187.600000117.9
604C24.7Very low23.6Very low122 Ų122153.5 Ų153.582%0.82479%0.792SS**  trans28.7128.9142.9-1680000122.3
605Q21.4Very low23.6Very low195 Ų195151.8 Ų151.891%0.91179%0.788SS**  trans-154.2168.3135.7-116.8173.214.100112.7
606R25.3Very low23.6Very low230 Ų230151.1 Ų151.187%0.86879%0.792SS**  trans-112.5142.5179-60.3175.1177.8175.7-1.8110.4
607Q22.3Very low23.3Very low170 Ų170150.9 Ų150.979%0.79479%0.793SS**  178.5125.5115.7-101.1178.1-8700114
608Q22.8Very low23.3Very low165 Ų165153.6 Ų153.677%0.77181%0.805SS**  40.6115.8121.9-172.51791200120.5
609V20.6Very low23.2Very low145 Ų145150.6 Ų150.688%0.87980%0.799SS**  trans-163.8160.2136.3131.10000110.6
610F20.6Very low23.4Very low164 Ų164157.5 Ų157.572%0.71981%0.811SS**  trans-85.7162.4-179.7-119.1-104.4000112.7D612F610-D612 WeakPolarHBondContact CE1-OD2 3.45Å
611C19.9Very low23.5Very low129 Ų129152.3 Ų152.387%0.87280%0.802SS**  -175151.1120.8-97.50000111.2
612D21.8Very low23.5Very low129 Ų129153.6 Ų153.669%0.6981%0.805SS**  trans-106.5150.7177.3-56.3-85.3000110.5F610F610-D612 WeakPolarHBondContact CE1-OD2 3.45Å
613E24.4Very low23.7Very low187 Ų187152.7 Ų152.787%0.87480%0.804SS**  trans171.2144.1155.9-101.7163.5-158.700108
614E22.9Very low24.3Very low172 Ų172154.6 Ų154.680%0.80481%0.812SS**  cis-149.6170.7-10.7-152.4-178.2-163.500108.7
615L23.8Very low24.5Very low150 Ų150154.9 Ų154.979%0.78581%0.806SS**  trans-123.7117.6-174.5-153.1179000110.6
616L22.8Very low25Very low167 Ų167150.8 Ų150.887%0.87480%0.799SS**  trans-126.1143.4168.4-84.5174.1000112.2
617S26.1Very low25.3Very low99 Ų99147.2 Ų147.269%0.69280%0.796SS**  trans-124.8146.7-168.8580000111.6
618E25Very low25.6Very low200 Ų200144.3 Ų144.394%0.93579%0.79SS**  trans-150.2162.7150.9-128.8-179.7-134.500112.6
619T24.6Very low25.9Very low108 Ų108145.5 Ų145.566%0.66379%0.793SS**  trans-121.2137.3-147.7-48.80000113.7
620K28.1Very low26.5Very low208 Ų208147.4 Ų147.490%0.90479%0.789SS**  trans-162.7164.5147.6-103.9135.6-165.1165.40112.7
621N26.4Very low27.2Very low139 Ų139147.6 Ų147.674%0.74380%0.798SS**  trans-101.3171.9-152.9-60.6-15.8000115.3
622T23.2Very low28.1Very low132 Ų132151.4 Ų151.481%0.8180%0.8SS**  trans88.193.8149.2-43.60000118.2
623S27.1Very low29.4Very low106 Ų106147.5 Ų147.574%0.74179%0.79SS**  -177.5141.8109.1390000111.7D625S623-D625 PolarHBondContact O-N 3.43Å
624S36.2Very low31.3Very low129 Ų129144.1 Ų144.190%0.90278%0.778SS**  trans-97.671.6-175.955.80000111.7
625D30Very low33.6Very low129 Ų129138.8 Ų138.869%0.6976%0.757SS**  trans-146.425.4-174-149.12.9000115.2S623S623-D625 PolarHBondContact O-N 3.43Å
626S31.8Very low36.5Very low109 Ų109133 Ų13376%0.76273%0.725SS**SBendtrans-109.3-14.3-177.656.80000115.3T628S626-T628 VanDerWaalsContact C-N 3.3Å; S626-T628 PolarHBondContact O-N 2.98Å
627L30.4Very low39.5Very low154 Ų154126.8 Ų126.881%0.80669%0.693SS**THydrogen-bonded Turntrans-87.812.6-176.9-155.665.1000114.2
628T30.2Very low42.6Very low110 Ų110122.2 Ų122.268%0.67566%0.661SS**THydrogen-bonded Turntrans-100.715.9-177.652.10000113.9S626S626-T628 VanDerWaalsContact C-N 3.3Å; S626-T628 PolarHBondContact O-N 2.98Å
629K29.2Very low45.8Very low190 Ų190113.9 Ų113.983%0.82662%0.622SS**  trans-11843.8-179.5-75.8180179.8166.20114.6N631K629-N631 PolarHBondContact O-N 3.38Å
630F32.6Very low49.1Very low184 Ų184108.7 Ų108.781%0.80759%0.591SS**SBendtrans-57.6136.4149.7-83.2-79.7000109.1K632F630-K632 PolarHBondContact O-N 3.28Å; F630-K632 VanDerWaalsContact O-N 3.11Å
631N34.8Very low52.1Low168 Ų168101.9 Ų101.990%0.89857%0.567SS**  trans-56.3119.7-171.5-98.5-54.1000111.4K629 G633K629-N631 PolarHBondContact O-N 3.38Å; N631-G633 PolarHBondContact O-N 3.4Å
632K38.8Very low55.2Low210 Ų210104 Ų10491%0.91357%0.569SS**  trans-73.966.7-178.1-162.1171.4-172171.60110.4F630F630-K632 PolarHBondContact O-N 3.28Å; F630-K632 VanDerWaalsContact O-N 3.11Å
633G49.6Very low58.6Low47 Ų4798.6 Ų98.649%0.48554%0.535SS..  trans-61.1150.3-169.500000113.3N631 V635N631-G633 PolarHBondContact O-N 3.4Å; G633-V635 PolarHBondContact O-N 2.96Å
634N63.1Low61.8Low115 Ų11593.5 Ų93.562%0.61550%0.499SS*.  trans-65.896.2174.8-72.9-30.1000109.7F636N634-F636 HydrophobicContact CB-CE2 3.83Å; N634-F636 HydrophobicContact CB-CZ 4.02Å; N634-F636 WeakPolarHBondContact O-CD2 3.47Å; N634-F636 WeakPolarHBondContact O-CE2 3.16Å; N634-F636 PolarHBondContact O-N 3.05Å
635V72.8Confident64.7Low61 Ų6187.5 Ų87.537%0.3746%0.457SS..  trans-71.4123.8174-178.60000109.1K431 G633K431-V635 HydrophobicContact CG-CG1 3.87Å; G633-V635 PolarHBondContact O-N 2.96Å
636F83.1Confident68Low27 Ų2781.4 Ų81.412%0.11842%0.424CS..EExtended strand (participates in β ladder)trans-101.1158.9173.7-63.1-86.4000111.4L400 L401 L432 N634 N671 F672L400-F636 HydrophobicContact CD1-CB 3.75Å; L400-F636 HydrophobicContact CD1-CG 4.43Å; L400-F636 HydrophobicContact CG-CB 4.47Å; L400-F636 HydrophobicContact CG-CD1 4.43Å; L401-F636 CarbonylContact O-C 3.27Å; L401-F636 WeakPolarHBondContact O-CA 3.4Å; L432-F636 HydrophobicContact CB-CB 4.47Å; L432-F636 WeakPolarHBondContact CB-O 3.44Å; L432-F636 HydrophobicContact CD2-CB 4.28Å; L432-F636 PolarHBondContact N-O 3.08Å; N634-F636 HydrophobicContact CB-CE2 3.83Å; N634-F636 HydrophobicContact CB-CZ 4.02Å; N634-F636 WeakPolarHBondContact O-CD2 3.47Å; N634-F636 WeakPolarHBondContact O-CE2 3.16Å; N634-F636 PolarHBondContact O-N 3.05Å; F636-N671 HydrophobicContact CD2-CB 4.28Å; F636-N671 HydrophobicContact CE2-CB 4.17Å; F636-F672 AromaticContact CD1-CE1 3.99Å; F636-F672 HydrophobicContact CD1-CE1 3.99Å; F636-F672 HydrophobicContact CD2-CD1 4.22Å; F636-F672 AromaticContact CD2-CE1 3.55Å; F636-F672 HydrophobicContact CD2-CE1 3.55Å; F636-F672 HydrophobicContact CD2-CZ 4.24Å; F636-F672 AromaticContact CE1-CE1 3.83Å; F636-F672 HydrophobicContact CE1-CE1 3.83Å; F636-F672 HydrophobicContact CE1-CZ 4.13Å; F636-F672 HydrophobicContact CE2-CD1 4.37Å; F636-F672 AromaticContact CE2-CE1 3.38Å; F636-F672 HydrophobicContact CE2-CE1 3.38Å; F636-F672 AromaticContact CE2-CZ 3.59Å; F636-F672 HydrophobicContact CE2-CZ 3.59Å; F636-F672 AromaticContact CG-CE1 3.86Å; F636-F672 HydrophobicContact CG-CE1 3.86Å; F636-F672 AromaticContact CZ-CE1 3.54Å; F636-F672 HydrophobicContact CZ-CE1 3.54Å; F636-F672 AromaticContact CZ-CZ 3.53Å; F636-F672 HydrophobicContact CZ-CZ 3.53Å
637L86.9Confident71.1Confident37 Ų3776.2 Ų76.219%0.19439%0.388CS..EExtended strand (participates in β ladder)trans-126.3133.3180-17284.9000109.2L400 L401 T406 K429 R430L400-L637 WeakPolarHBondContact CA-O 3.11Å; L401-L637 HydrophobicContact CB-CB 4.37Å; L401-L637 HydrophobicContact CD1-CD2 4.41Å; L401-L637 PolarHBondContact N-O 2.92Å; L401-L637 PolarHBondContact O-N 3.02Å; T406-L637 HydrophobicContact CG2-CD2 4.33Å; K429-L637 HydrophobicContact CB-CD1 4.31Å; K429-L637 HydrophobicContact CB-CD2 4.11Å; K429-L637 HydrophobicContact CB-CG 4.43Å; K429-L637 HydrophobicContact CD-CD2 4.17Å; K429-L637 HydrophobicContact CG-CD2 4.05Å; R430-L637 WeakPolarHBondContact O-CA 3.43Å; R430-L637 WeakPolarHBondContact O-CD1 3.47Å
638L90.6Very high74.2Confident3 Ų369.7 Ų69.72%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-95.5112.1168.9-76.6167.3000109.4V275 Y396 L400 K429 R430 L432 V675V275-L638 HydrophobicContact CB-CD2 4.41Å; V275-L638 HydrophobicContact CG1-CD2 3.63Å; V275-L638 HydrophobicContact CG2-CD2 3.87Å; Y396-L638 HydrophobicContact CD1-CB 4.2Å; Y396-L638 HydrophobicContact CD1-CD1 4.48Å; Y396-L638 HydrophobicContact CE1-CB 4.26Å; L400-L638 HydrophobicContact CB-CD2 4.44Å; L400-L638 HydrophobicContact CD1-CD2 3.92Å; L400-L638 HydrophobicContact CD1-CG 4.19Å; K429-L638 WeakPolarHBondContact CA-O 3.2Å; R430-L638 PolarHBondContact N-O 2.89Å; R430-L638 PolarHBondContact O-N 2.99Å; L432-L638 HydrophobicContact CD1-CD1 4.46Å; L638-V675 HydrophobicContact CD1-CG2 3.97Å
639D92.2Very high77.4Confident25 Ų2564.7 Ų64.713%0.13432%0.322CS..EExtended strand (participates in β ladder)trans-106.5109.7178-171.4-15.2000110.6R399 L401 K429 T641R399-D639 PolarHBondContact N-O 3.04Å; R399-D639 PolarHBondContact O-N 3.19Å; L401-D639 HydrophobicContact CD1-CB 3.84Å; L401-D639 HydrophobicContact CG-CB 4.49Å; K429-D639 WeakPolarHBondContact CE-OD2 3.32Å; K429-D639 HydrophobicContact CG-CB 4.18Å; D639-T641 WeakPolarHBondContact OD1-CB 3.49Å; D639-T641 PolarHBondContact OD1-N 3.44Å; D639-T641 PolarHBondContact OD1-OG1 2.88Å
640A94.8Very high80.7Confident0 Ų055.9 Ų55.90%028%0.284CS..EExtended strand (participates in β ladder)trans-97.219.2178.100000113.3Y396 K428 E643 R648Y396-A640 HydrophobicContact CE1-CB 3.91Å; K428-A640 HydrophobicContact CB-CB 4.37Å; K428-A640 PolarHBondContact O-N 3.46Å; A640-E643 WeakPolarHBondContact CA-O 3.49Å; A640-R648 HydrophobicContact CB-CB 3.7Å; A640-R648 PolarHBondContact O-NE 2.99Å; A640-R648 PolarHBondContact O-NH2 2.64Å
641T90.3Very high83.8Confident65 Ų6547.9 Ų47.940%0.39925%0.25SC..EExtended strand (participates in β ladder)trans-70-52.4-173.7-55.10000112.3D639 R648D639-T641 WeakPolarHBondContact OD1-CB 3.49Å; D639-T641 PolarHBondContact OD1-N 3.44Å; D639-T641 PolarHBondContact OD1-OG1 2.88Å; T641-R648 PolarHBondContact O-NH2 2.93Å
642K91.1Very high86.8Confident183 Ų18340.2 Ų40.280%0.79621%0.208SC*.EExtended strand (participates in β ladder)trans-97.6-32.5-179.3-64.5-170.5178.4-173.80114K270K270-K642 PolarHBondContact N-O 3.28Å
643E94.3Very high89.5Confident18 Ų1830.5 Ų30.58%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-138.9142.3178.966.1-172.6144.700110.8K270 R272 G398 R399 A640K270-E643 HydrophobicContact CB-CB 3.88Å; K270-E643 HydrophobicContact CG-CB 4.5Å; K270-E643 CarbonylContact O-C 3.58Å; K270-E643 VanDerWaalsContact O-CA 3.25Å; K270-E643 WeakPolarHBondContact O-CA 3.31Å; R272-E643 HydrophobicContact CG-CB 3.9Å; R272-E643 HydrophobicContact CG-CG 4.33Å; R272-E643 IonicContact CZ-OE2 3.71Å; R272-E643 IonicContact NE-OE2 2.8Å; R272-E643 PolarHBondContact NE-OE2 3.31Å; R272-E643 IonicContact NH2-OE2 3.71Å; R272-E643 PolarHBondContact NH2-OE2 3.42Å; G398-E643 WeakPolarHBondContact CA-O 3.45Å; R399-E643 HydrophobicContact CB-CG 4.09Å; R399-E643 IonicContact NH1-OE1 2.81Å; A640-E643 WeakPolarHBondContact CA-O 3.49Å
644G95.8Very high91.7Very high0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans165.7-177.2-175.300000113.8K270 Y271 R272 S397K270-G644 PolarHBondContact O-N 3.42Å; Y271-G644 CarbonylContact C-O 3.56Å; Y271-G644 VanDerWaalsContact CA-O 3.28Å; Y271-G644 WeakPolarHBondContact CA-O 3.41Å; R272-G644 PolarHBondContact N-O 2.99Å; S397-G644 WeakPolarHBondContact O-CA 3.41Å
645N97.2Very high93.3Very high2 Ų226.7 Ų26.71%0.01114%0.141CC..  trans-108.4-172.2178.973.9-15.1000112.9Y271 R272 I395 S397 G647 R648Y271-N645 HydrophobicContact CE1-CB 4.1Å; Y271-N645 HydrophobicContact CE2-CB 4.28Å; R272-N645 WeakPolarHBondContact O-CB 3.35Å; I395-N645 PolarHBondContact O-ND2 3.14Å; I395-N645 PolarHBondContact O-OD1 2.81Å; S397-N645 WeakPolarHBondContact CB-OD1 3.04Å; S397-N645 PolarHBondContact N-OD1 2.99Å; S397-N645 PolarHBondContact O-N 2.93Å; N645-G647 PolarHBondContact O-N 2.86Å; N645-G647 VanDerWaalsContact O-N 3.1Å; N645-G647 PolarHBondContact OD1-N 3.35Å; N645-G647 VanDerWaalsContact OD1-N 3.1Å; N645-R648 WeakPolarHBondContact O-CB 3.42Å; N645-R648 VanDerWaalsContact O-CD 3.25Å; N645-R648 WeakPolarHBondContact O-CD 3.29Å; N645-R648 WeakPolarHBondContact O-CG 3.33Å; N645-R648 PolarHBondContact O-N 3.17Å
646V97.7Very high94.5Very high1 Ų125 Ų251%0.00613%0.131CC..G310 helixtrans-50.3-30.3175.266.70000114.5I255 Y271 L369 V371 V381 C394 R648 F649I255-V646 HydrophobicContact CG2-CB 4.01Å; I255-V646 HydrophobicContact CG2-CG2 3.7Å; Y271-V646 PolarHBondContact OH-N 3.46Å; L369-V646 HydrophobicContact CD1-CG1 4.11Å; L369-V646 HydrophobicContact CD1-CG2 4.39Å; V371-V646 HydrophobicContact CG2-CG2 3.93Å; V381-V646 HydrophobicContact CG1-CG2 4.09Å; V381-V646 HydrophobicContact CG2-CG2 3.96Å; C394-V646 HydrophobicContact CB-CG1 3.88Å; V646-R648 PolarHBondContact O-N 2.94Å; V646-F649 PolarHBondContact O-N 3.38Å; V646-F649 VanDerWaalsContact O-N 3.08Å
647G97.4Very high95.2Very high0 Ų024.4 Ų24.40%013%0.129CC..G310 helixtrans-59-20.8179.900000114.6N645 F649 L650N645-G647 PolarHBondContact O-N 2.86Å; N645-G647 VanDerWaalsContact O-N 3.1Å; N645-G647 PolarHBondContact OD1-N 3.35Å; N645-G647 VanDerWaalsContact OD1-N 3.1Å; G647-F649 PolarHBondContact O-N 3.27Å; G647-F649 VanDerWaalsContact O-N 3.17Å; G647-L650 PolarHBondContact O-N 2.97Å
648R96.3Very high95.8Very high17 Ų1722.9 Ų22.96%0.06412%0.121CC..G310 helixtrans-69.2-317580.9-166.7-71.4-97.32.5115.3F269 K428 A640 T641 N645 V646F269-R648 VanDerWaalsContact CG-NH1 3.31Å; K428-R648 HydrophobicContact CD-CB 4.32Å; K428-R648 WeakPolarHBondContact CE-O 3.22Å; K428-R648 PolarHBondContact NZ-O 3.47Å; A640-R648 HydrophobicContact CB-CB 3.7Å; A640-R648 PolarHBondContact O-NE 2.99Å; A640-R648 PolarHBondContact O-NH2 2.64Å; T641-R648 PolarHBondContact O-NH2 2.93Å; N645-R648 WeakPolarHBondContact O-CB 3.42Å; N645-R648 VanDerWaalsContact O-CD 3.25Å; N645-R648 WeakPolarHBondContact O-CD 3.29Å; N645-R648 WeakPolarHBondContact O-CG 3.33Å; N645-R648 PolarHBondContact O-N 3.17Å; V646-R648 PolarHBondContact O-N 2.94Å
649F97.9Very high96Very high6 Ų624 Ų243%0.02613%0.127CC..G310 helixtrans-116.95.1179.1-58.9-76.2000112.4I246 L266 F269 V371 W379 G380 V381 V646 G647 N651I246-F649 HydrophobicContact CD1-CE2 4.26Å; L266-F649 HydrophobicContact CD1-CZ 4.31Å; L266-F649 HydrophobicContact CD2-CE1 4.1Å; L266-F649 HydrophobicContact CD2-CZ 4.18Å; F269-F649 HydrophobicContact CE1-CE2 4.08Å; F269-F649 AromaticContact CE1-CZ 3.9Å; F269-F649 HydrophobicContact CE1-CZ 3.9Å; F269-F649 AromaticContact CZ-CE2 3.82Å; F269-F649 HydrophobicContact CZ-CE2 3.82Å; F269-F649 HydrophobicContact CZ-CZ 4.11Å; V371-F649 HydrophobicContact CG1-CB 4.39Å; V371-F649 HydrophobicContact CG1-CD1 4.3Å; V371-F649 HydrophobicContact CG1-CD2 4.24Å; V371-F649 HydrophobicContact CG1-CG 4.1Å; V371-F649 HydrophobicContact CG2-CD2 3.98Å; V371-F649 HydrophobicContact CG2-CE2 4.44Å; V371-F649 HydrophobicContact CG2-CG 4.46Å; W379-F649 HydrophobicContact CB-CD1 3.84Å; W379-F649 HydrophobicContact CB-CE1 4.33Å; W379-F649 HydrophobicContact CG-CD1 4.46Å; W379-F649 HydrophobicContact CG-CE1 4.48Å; G380-F649 CarbonylContact C-O 3.55Å; G380-F649 WeakPolarHBondContact CA-O 3.34Å; V381-F649 HydrophobicContact CG2-CB 3.7Å; V381-F649 PolarHBondContact N-O 2.88Å; V646-F649 PolarHBondContact O-N 3.38Å; V646-F649 VanDerWaalsContact O-N 3.08Å; G647-F649 PolarHBondContact O-N 3.27Å; G647-F649 VanDerWaalsContact O-N 3.17Å; F649-N651 PolarHBondContact O-N 3.17Å
650L98.3Very high96.2Very high5 Ų523.9 Ų23.93%0.02613%0.127CC..  trans-76.6111.8176.1-70.7171.5000110.3V381 G647 L658 F677 L689 W691 Y693V381-L650 HydrophobicContact CB-CD2 3.86Å; V381-L650 HydrophobicContact CG2-CD2 3.93Å; V381-L650 HydrophobicContact CG2-CG 4.23Å; G647-L650 PolarHBondContact O-N 2.97Å; L650-L658 HydrophobicContact CD1-CD1 3.9Å; L650-L658 HydrophobicContact CD2-CD1 3.82Å; L650-L658 HydrophobicContact CG-CD1 4.41Å; L650-F677 HydrophobicContact CD1-CD1 4.17Å; L650-F677 HydrophobicContact CD1-CD2 3.49Å; L650-F677 VanDerWaalsContact CD1-CD2 3.49Å; L650-F677 HydrophobicContact CD1-CE1 4.19Å; L650-F677 HydrophobicContact CD1-CE2 3.51Å; L650-F677 HydrophobicContact CD1-CG 3.83Å; L650-F677 HydrophobicContact CD1-CZ 3.88Å; L650-L689 HydrophobicContact CD2-CB 3.67Å; L650-L689 WeakPolarHBondContact CD2-O 3.48Å; L650-W691 PolarHBondContact O-NE1 3.17Å; L650-Y693 PolarHBondContact O-OH 3.15Å
651N97.8Very high96.3Very high16 Ų1624 Ų249%0.08613%0.127CC..EExtended strand (participates in β ladder)trans-77.5164.9-174.9-78.6-36.2000113.8K377 W379 G380 F649 E688 T690 W691 Y693K377-N651 HydrophobicContact CD-CB 4.42Å; W379-N651 PolarHBondContact O-ND2 2.77Å; W379-N651 PolarHBondContact O-OD1 3.37Å; G380-N651 WeakPolarHBondContact CA-ND2 3.28Å; F649-N651 PolarHBondContact O-N 3.17Å; N651-E688 VanDerWaalsContact CB-OE1 3.3Å; N651-E688 WeakPolarHBondContact CB-OE1 3.4Å; N651-E688 PolarHBondContact ND2-OE1 3.38Å; N651-T690 HydrophobicContact CB-CG2 4.33Å; N651-T690 VanDerWaalsContact O-CA 3.23Å; N651-T690 WeakPolarHBondContact O-CA 3.13Å; N651-T690 WeakPolarHBondContact O-CB 3.25Å; N651-W691 PolarHBondContact O-N 2.97Å; N651-W691 VanDerWaalsContact O-N 3.1Å; N651-Y693 WeakPolarHBondContact CA-OH 3.49Å
652H96.9Very high96.6Very high6 Ų622.3 Ų22.33%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-73.3143.3172.9-179.150.2000112.5C654 W691 D692 Y693 C707 I718H652-C654 PolarHBondContact NE2-SG 3.43Å; H652-C654 VanDerWaalsContact NE2-SG 3.42Å; H652-W691 VanDerWaalsContact CA-O 3.3Å; H652-W691 WeakPolarHBondContact CA-O 3.46Å; H652-W691 PolarHBondContact ND1-O 3.34Å; H652-D692 IonicContact CE1-OD1 2.69Å; H652-D692 PolarHBondContact CE1-OD1 3.49Å; H652-D692 VanDerWaalsContact CE1-OD1 3.25Å; H652-D692 IonicContact ND1-OD1 2.64Å; H652-Y693 HydrophobicContact CB-CD1 3.72Å; H652-Y693 HydrophobicContact CB-CD2 3.95Å; H652-Y693 HydrophobicContact CB-CE1 3.68Å; H652-Y693 HydrophobicContact CB-CE2 3.93Å; H652-Y693 HydrophobicContact CB-CG 3.86Å; H652-Y693 PolarHBondContact N-OH 2.91Å; H652-Y693 PolarHBondContact ND1-N 3.26Å; H652-C707 PolarHBondContact CD2-SG 3.47Å; H652-I718 HydrophobicContact CB-CD1 4.09Å
653S96.8Very high96.8Very high7 Ų713.6 Ų13.65%0.0498%0.078CC..  trans-141.3142.8156.71790000111.2C655 P656 T690 W691S653-C655 PolarHBondContact O-N 3.12Å; S653-C655 VanDerWaalsContact OG-C 3.23Å; S653-C655 PolarHBondContact OG-N 3.1Å; S653-C655 PolarHBondContact OG-O 2.98Å; S653-P656 WeakPolarHBondContact O-CD 3.31Å; S653-T690 VanDerWaalsContact CB-OG1 3.29Å; S653-T690 WeakPolarHBondContact CB-OG1 3.3Å; S653-W691 PolarHBondContact N-O 3.1Å; S653-W691 VanDerWaalsContact N-O 3.09Å
654C95.8Very high96.7Very high25 Ų2513 Ų1317%0.1698%0.075CC..SBendtrans-73.7-13.8169.5-54.70000112.8H652 R715H652-C654 PolarHBondContact NE2-SG 3.43Å; H652-C654 VanDerWaalsContact NE2-SG 3.42Å; C654-R715 PolarHBondContact SG-N 3.01Å; C654-R715 VanDerWaalsContact SG-N 3.39Å
655C96.4Very high96.4Very high57 Ų5714.1 Ų14.139%0.3858%0.082SC..SBendtrans-125.779.7165.8-172.20000107.7S653 R681 V711S653-C655 PolarHBondContact O-N 3.12Å; S653-C655 VanDerWaalsContact OG-C 3.23Å; S653-C655 PolarHBondContact OG-N 3.1Å; S653-C655 PolarHBondContact OG-O 2.98Å; C655-R681 PolarHBondContact SG-NH2 3.37Å; C655-V711 HydrophobicContact CB-CB 4.43Å; C655-V711 HydrophobicContact CB-CG1 3.74Å; C655-V711 HydrophobicContact CB-CG2 3.8Å
656P97.3Very high95.5Very high25 Ų2516.2 Ų16.216%0.1629%0.092CC..  trans-72.5153.6-174.930.2-35.7000111.7S653 N680 R681 T690 D692S653-P656 WeakPolarHBondContact O-CD 3.31Å; P656-N680 PolarHBondContact O-ND2 2.67Å; P656-N680 PolarHBondContact O-OD1 2.88Å; P656-R681 PolarHBondContact O-NH2 3Å; P656-T690 VanDerWaalsContact CB-O 3.26Å; P656-T690 WeakPolarHBondContact CB-O 3.44Å; P656-D692 HydrophobicContact CG-CB 4.33Å
657N98.1Very high94.7Very high15 Ų1516.3 Ų16.38%0.089%0.092CC..SBendtrans-101.3-5.9169.158.214.6000113T679 N680 R681 V683 E688 L689 T690N657-T679 CarbonylContact O-C 3.49Å; N657-T679 WeakPolarHBondContact O-CA 3.4Å; N657-N680 PolarHBondContact O-N 3.03Å; N657-N680 PolarHBondContact O-OD1 3.49Å; N657-R681 HydrophobicContact CB-CG 4.2Å; N657-V683 HydrophobicContact CB-CG2 4.07Å; N657-E688 PolarHBondContact ND2-O 3.22Å; N657-L689 WeakPolarHBondContact OD1-CA 3.38Å; N657-T690 PolarHBondContact N-O 3.34Å; N657-T690 PolarHBondContact OD1-N 2.97Å; N657-T690 PolarHBondContact OD1-O 3.38Å
658L98.4Very high94Very high4 Ų417.8 Ų17.82%0.02110%0.099CC..EExtended strand (participates in β ladder)trans-101.4154.6168.1-56.5178.9000112.2V393 L650 F677 F678 T679 N680 L689 T690 W691V393-L658 HydrophobicContact CB-CD2 4.49Å; V393-L658 HydrophobicContact CG2-CD2 3.81Å; L650-L658 HydrophobicContact CD1-CD1 3.9Å; L650-L658 HydrophobicContact CD2-CD1 3.82Å; L650-L658 HydrophobicContact CG-CD1 4.41Å; L658-F677 HydrophobicContact CB-CD1 4.49Å; L658-F677 HydrophobicContact CD1-CB 4.17Å; L658-F677 HydrophobicContact CD1-CD1 4.06Å; L658-F677 HydrophobicContact CD1-CG 4.27Å; L658-F678 CarbonylContact C-O 3.58Å; L658-F678 VanDerWaalsContact CA-O 3.29Å; L658-F678 WeakPolarHBondContact CA-O 3.29Å; L658-T679 HydrophobicContact CD2-CG2 4.26Å; L658-N680 PolarHBondContact O-ND2 2.9Å; L658-L689 HydrophobicContact CD1-CB 4.17Å; L658-L689 HydrophobicContact CD2-CD2 4.45Å; L658-L689 HydrophobicContact CG-CB 4.45Å; L658-T690 WeakPolarHBondContact CB-O 3.43Å; L658-T690 WeakPolarHBondContact CG-O 3.31Å; L658-T690 PolarHBondContact N-O 3.34Å; L658-W691 HydrophobicContact CB-CB 4.21Å
659L95.6Very high93.3Very high26 Ų2619 Ų1914%0.13611%0.107CC..EExtended strand (participates in β ladder)trans-116156.1159.170.187.8000109.3L334 Q661 F677 F678 N680L334-L659 HydrophobicContact CD2-CD1 3.96Å; L659-Q661 HydrophobicContact CD1-CB 4.21Å; L659-F677 WeakPolarHBondContact O-CA 3.42Å; L659-F678 HydrophobicContact CD1-CB 4.11Å; L659-F678 HydrophobicContact CG-CB 4.11Å; L659-F678 PolarHBondContact N-O 3.15Å; L659-F678 PolarHBondContact O-N 3.44Å; L659-N680 HydrophobicContact CB-CB 4.16Å; L659-N680 HydrophobicContact CD2-CB 4.12Å
660V96.8Very high92.7Very high23 Ų2323.6 Ų23.614%0.13912%0.124CC..EExtended strand (participates in β ladder)trans-104.7133.8176.1-172.20000109.9Q337 V675 A676 F677 W691Q337-V660 PolarHBondContact NE2-O 3.24Å; V660-V675 HydrophobicContact CG1-CG1 3.6Å; V660-A676 WeakPolarHBondContact CA-O 3Å; V660-F677 HydrophobicContact CG2-CD1 3.98Å; V660-F677 HydrophobicContact CG2-CE1 3.76Å; V660-W691 HydrophobicContact CG2-CD2 4.47Å; V660-W691 HydrophobicContact CG2-CE3 3.74Å; V660-W691 HydrophobicContact CG2-CZ3 4.44Å
661Q96.8Very high92Very high2 Ų226.2 Ų26.21%0.00914%0.138CC..EExtended strand (participates in β ladder)trans-128.6130.7178.6-177.656.958.400110.3L334 I338 I342 L659 V663 A676 F678L334-Q661 HydrophobicContact CD2-CB 3.78Å; L334-Q661 HydrophobicContact CD2-CG 3.66Å; I338-Q661 PolarHBondContact O-NE2 3.43Å; I342-Q661 HydrophobicContact CD1-CG 3.7Å; I342-Q661 HydrophobicContact CG1-CG 4.09Å; L659-Q661 HydrophobicContact CD1-CB 4.21Å; Q661-V663 HydrophobicContact CB-CG2 4.37Å; Q661-V663 HydrophobicContact CG-CG2 3.77Å; Q661-A676 PolarHBondContact N-O 2.91Å; Q661-A676 PolarHBondContact O-N 2.92Å; Q661-F678 HydrophobicContact CB-CD2 3.88Å; Q661-F678 HydrophobicContact CB-CE2 3.88Å; Q661-F678 HydrophobicContact CG-CE2 4.29Å
662N95.8Very high91.6Very high30 Ų3026.3 Ų26.316%0.1614%0.138CC..EExtended strand (participates in β ladder)trans-77.1130.4167.9-73.9-16000109.3G341 I342 P673G341-N662 CarbonylContact C-O 3.51Å; G341-N662 WeakPolarHBondContact CA-O 3.45Å; I342-N662 PolarHBondContact N-O 2.85Å; N662-P673 HydrophobicContact CB-CB 3.74Å; N662-P673 HydrophobicContact CB-CG 4.22Å
663V96.1Very high91.3Very high0 Ų026.5 Ų26.50%014%0.14CC..EExtended strand (participates in β ladder)trans-135.7134.2-176.4-174.70000111.2I342 E344 V361 Q661 V665 L674 A676I342-V663 HydrophobicContact CB-CG2 4.39Å; I342-V663 CarbonylContact O-C 3.58Å; I342-V663 WeakPolarHBondContact O-CA 3.47Å; E344-V663 HydrophobicContact CG-CG1 3.69Å; V361-V663 HydrophobicContact CB-CG1 4.24Å; V361-V663 HydrophobicContact CG2-CB 4.25Å; V361-V663 HydrophobicContact CG2-CG1 4Å; V361-V663 HydrophobicContact CG2-CG2 4Å; Q661-V663 HydrophobicContact CB-CG2 4.37Å; Q661-V663 HydrophobicContact CG-CG2 3.77Å; V663-V665 HydrophobicContact CG1-CG2 4.05Å; V663-L674 PolarHBondContact N-O 3.09Å; V663-L674 WeakPolarHBondContact O-CB 3.24Å; V663-L674 PolarHBondContact O-N 3.09Å; V663-A676 HydrophobicContact CG2-CB 3.88Å
664F93Very high91.2Very high6 Ų627.8 Ų27.83%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-108.8121.6-177.6-60.8-70.6000109.9I342 Y343 E344 N669 R670 P673I342-F664 PolarHBondContact O-N 2.87Å; Y343-F664 HydrophobicContact CD1-CB 3.79Å; Y343-F664 AromaticContact CD1-CD2 3.98Å; Y343-F664 HydrophobicContact CD1-CD2 3.98Å; Y343-F664 HydrophobicContact CD1-CG 4.15Å; Y343-F664 HydrophobicContact CD2-CD2 4.13Å; Y343-F664 HydrophobicContact CE1-CB 4.02Å; Y343-F664 AromaticContact CE1-CD2 3.62Å; Y343-F664 HydrophobicContact CE1-CD2 3.62Å; Y343-F664 HydrophobicContact CE1-CE2 4.3Å; Y343-F664 AromaticContact CE1-CG 3.9Å; Y343-F664 HydrophobicContact CE1-CG 3.9Å; Y343-F664 AromaticContact CE2-CD2 3.78Å; Y343-F664 HydrophobicContact CE2-CD2 3.78Å; Y343-F664 HydrophobicContact CE2-CE2 4.11Å; Y343-F664 HydrophobicContact CG-CB 4.32Å; Y343-F664 HydrophobicContact CG-CD2 4.23Å; Y343-F664 AromaticContact CZ-CD2 3.5Å; Y343-F664 AromaticContact CZ-CE2 3.8Å; E344-F664 PolarHBondContact N-O 3.15Å; F664-N669 WeakPolarHBondContact CE1-O 3.19Å; F664-R670 HydrophobicContact CZ-CB 4.41Å; F664-R670 HydrophobicContact CZ-CG 4.1Å; F664-P673 HydrophobicContact CD1-CB 4.21Å; F664-P673 HydrophobicContact CE1-CB 3.58Å; F664-P673 HydrophobicContact CE1-CG 4.29Å; F664-P673 HydrophobicContact CZ-CB 3.85Å; F664-P673 HydrophobicContact CZ-CG 4.46Å
665V88.2Confident91.2Very high23 Ų2326.7 Ų26.714%0.13914%0.138CC..SBendtrans-131.6-40.9-173.6-1780000112.3F289 E344 Q362 V663 L674F289-V665 WeakPolarHBondContact CE2-O 3.33Å; E344-V665 HydrophobicContact CB-CG2 4.19Å; E344-V665 HydrophobicContact CG-CG2 4.12Å; Q362-V665 HydrophobicContact CB-CG1 3.76Å; V663-V665 HydrophobicContact CG1-CG2 4.05Å; V665-L674 HydrophobicContact CB-CD1 4.13Å; V665-L674 HydrophobicContact CG2-CD1 3.76Å
666E78.2Confident91.3Very high46 Ų4624 Ų2422%0.21512%0.12CC..SBendtrans-103.8-27.2-177.2-62-174.2153.800113.5R278 Y280R278-E666 WeakPolarHBondContact CD-OE1 3.34Å; R278-E666 IonicContact CZ-OE1 3.44Å; R278-E666 IonicContact NE-OE1 3.89Å; R278-E666 IonicContact NH1-OE1 2.71Å; R278-E666 PolarHBondContact NH1-OE1 2.82Å; Y280-E666 HydrophobicContact CD1-CB 4.24Å; Y280-E666 HydrophobicContact CD1-CG 4.38Å; Y280-E666 WeakPolarHBondContact CD1-OE2 3.43Å
667T80.6Confident91.4Very high3 Ų322.8 Ų22.82%0.01811%0.112CC..  trans-145.2154.1177.91780000110.8A279 T283 S287 N669 F672A279-T667 HydrophobicContact CB-CG2 3.77Å; T283-T667 HydrophobicContact CG2-CG2 4.35Å; S287-T667 PolarHBondContact O-OG1 3.42Å; T667-N669 VanDerWaalsContact C-N 3.28Å; T667-N669 HydrophobicContact CG2-CB 4.01Å; T667-N669 VanDerWaalsContact OG1-CB 3.32Å; T667-N669 WeakPolarHBondContact OG1-CB 3.46Å; T667-N669 PolarHBondContact OG1-N 3.16Å; T667-F672 HydrophobicContact CG2-CB 4.17Å
668H82.6Confident91.4Very high31 Ų3122.1 Ų22.114%0.14411%0.109CC..  trans-80.3-5.3167.9-74.4-179.1000113.4F289 T290 D291 L310 Y343 R670F289-H668 AromaticContact CD1-CD2 3.61Å; F289-H668 AromaticContact CD1-CE1 3.9Å; F289-H668 AromaticContact CD1-NE2 3Å; F289-H668 WeakPolarHBondContact CD1-NE2 3.49Å; F289-H668 AromaticContact CE1-CD2 3.59Å; F289-H668 AromaticContact CE1-NE2 3.24Å; F289-H668 WeakPolarHBondContact CE1-NE2 3.33Å; F289-H668 AromaticContact CE2-CD2 3.99Å; F289-H668 AromaticContact CG-CD2 3.82Å; F289-H668 AromaticContact CG-NE2 3.53Å; F289-H668 AromaticContact CZ-CD2 3.78Å; F289-H668 AromaticContact CZ-NE2 3.94Å; T290-H668 PolarHBondContact OG1-ND1 3.11Å; D291-H668 IonicContact OD2-CE1 2.91Å; L310-H668 WeakPolarHBondContact CD2-CE1 3.42Å; L310-H668 VanDerWaalsContact CD2-NE2 3.31Å; L310-H668 WeakPolarHBondContact CD2-NE2 3.36Å; Y343-H668 AromaticContact CD1-CD2 3.62Å; Y343-H668 AromaticContact CD1-NE2 3.91Å; Y343-H668 HydrophobicContact CE1-CB 4.31Å; Y343-H668 AromaticContact CE1-CD2 3.88Å; H668-R670 PolarHBondContact O-N 2.75Å; H668-R670 VanDerWaalsContact O-N 3.16Å
669N83.4Confident91.4Very high42 Ų4221.9 Ų21.923%0.22511%0.108CC..  trans-66.3113.4-175.2-172-24.8000111.7T283 F664 T667 N671 F672T283-N669 HydrophobicContact CG2-CB 4.05Å; F664-N669 WeakPolarHBondContact CE1-O 3.19Å; T667-N669 VanDerWaalsContact C-N 3.28Å; T667-N669 HydrophobicContact CG2-CB 4.01Å; T667-N669 VanDerWaalsContact OG1-CB 3.32Å; T667-N669 WeakPolarHBondContact OG1-CB 3.46Å; T667-N669 PolarHBondContact OG1-N 3.16Å; N669-N671 PolarHBondContact O-N 3.11Å; N669-N671 WeakPolarHBondContact OD1-CB 3.19Å; N669-N671 PolarHBondContact OD1-N 2.88Å; N669-F672 HydrophobicContact CB-CD2 4.09Å; N669-F672 PolarHBondContact O-N 2.79Å
670R84.8Confident91.5Very high104 Ų10422.4 Ų22.439%0.39211%0.11SC..THydrogen-bonded Turntrans-63-11.5-177.9-69.9176.363.2162.9-4114.6F664 H668 P673F664-R670 HydrophobicContact CZ-CB 4.41Å; F664-R670 HydrophobicContact CZ-CG 4.1Å; H668-R670 PolarHBondContact O-N 2.75Å; H668-R670 VanDerWaalsContact O-N 3.16Å; R670-P673 WeakPolarHBondContact O-CD 3.45Å
671N84.1Confident91.5Very high60 Ų6025.1 Ų25.132%0.32112%0.118SC..THydrogen-bonded Turntrans-82.9-9.8172.8-58.6-19.2000113.3L432 F636 N669 P673L432-N671 WeakPolarHBondContact CD2-O 3.18Å; F636-N671 HydrophobicContact CD2-CB 4.28Å; F636-N671 HydrophobicContact CE2-CB 4.17Å; N669-N671 PolarHBondContact O-N 3.11Å; N669-N671 WeakPolarHBondContact OD1-CB 3.19Å; N669-N671 PolarHBondContact OD1-N 2.88Å; N671-P673 VanDerWaalsContact C-CD 3.46Å
672F87.6Confident91.5Very high18 Ų1828 Ų288%0.07913%0.13CC..SBendtrans-130.346-176.4-54.8-54.7000114.9A279 L282 T283 L400 F636 T667 N669A279-F672 HydrophobicContact CB-CB 3.82Å; A279-F672 HydrophobicContact CB-CG 4.34Å; L282-F672 HydrophobicContact CB-CE2 4.07Å; L282-F672 HydrophobicContact CB-CZ 3.86Å; L282-F672 HydrophobicContact CD1-CE1 3.99Å; L282-F672 HydrophobicContact CD1-CZ 4.09Å; T283-F672 HydrophobicContact CG2-CD2 3.62Å; T283-F672 HydrophobicContact CG2-CE2 3.67Å; L400-F672 HydrophobicContact CD2-CD1 3.82Å; L400-F672 HydrophobicContact CD2-CE1 3.93Å; F636-F672 AromaticContact CD1-CE1 3.99Å; F636-F672 HydrophobicContact CD1-CE1 3.99Å; F636-F672 HydrophobicContact CD2-CD1 4.22Å; F636-F672 AromaticContact CD2-CE1 3.55Å; F636-F672 HydrophobicContact CD2-CE1 3.55Å; F636-F672 HydrophobicContact CD2-CZ 4.24Å; F636-F672 AromaticContact CE1-CE1 3.83Å; F636-F672 HydrophobicContact CE1-CE1 3.83Å; F636-F672 HydrophobicContact CE1-CZ 4.13Å; F636-F672 HydrophobicContact CE2-CD1 4.37Å; F636-F672 AromaticContact CE2-CE1 3.38Å; F636-F672 HydrophobicContact CE2-CE1 3.38Å; F636-F672 AromaticContact CE2-CZ 3.59Å; F636-F672 HydrophobicContact CE2-CZ 3.59Å; F636-F672 AromaticContact CG-CE1 3.86Å; F636-F672 HydrophobicContact CG-CE1 3.86Å; F636-F672 AromaticContact CZ-CE1 3.54Å; F636-F672 HydrophobicContact CZ-CE1 3.54Å; F636-F672 AromaticContact CZ-CZ 3.53Å; F636-F672 HydrophobicContact CZ-CZ 3.53Å; T667-F672 HydrophobicContact CG2-CB 4.17Å; N669-F672 HydrophobicContact CB-CD2 4.09Å; N669-F672 PolarHBondContact O-N 2.79Å
673P92.1Very high91.6Very high9 Ų926.8 Ų26.86%0.05812%0.123CC..  trans-66.6147.4171.628.4-33.2000111.6L432 N662 F664 R670 N671 V675L432-P673 HydrophobicContact CD1-CG 4.05Å; N662-P673 HydrophobicContact CB-CB 3.74Å; N662-P673 HydrophobicContact CB-CG 4.22Å; F664-P673 HydrophobicContact CD1-CB 4.21Å; F664-P673 HydrophobicContact CE1-CB 3.58Å; F664-P673 HydrophobicContact CE1-CG 4.29Å; F664-P673 HydrophobicContact CZ-CB 3.85Å; F664-P673 HydrophobicContact CZ-CG 4.46Å; R670-P673 WeakPolarHBondContact O-CD 3.45Å; N671-P673 VanDerWaalsContact C-CD 3.46Å; P673-V675 PolarHBondContact O-N 2.94Å
674L94.4Very high91.7Very high35 Ų3531.4 Ų31.418%0.18314%0.143CC..EExtended strand (participates in β ladder)trans-71.2124.6159-59.1-177.7000108.5V275 V361 I395 V663 V665 A676V275-L674 HydrophobicContact CG2-CD2 4.42Å; V361-L674 HydrophobicContact CG1-CD1 4.04Å; I395-L674 HydrophobicContact CD1-CD2 4.45Å; I395-L674 HydrophobicContact CG2-CB 4.36Å; V663-L674 PolarHBondContact N-O 3.09Å; V663-L674 WeakPolarHBondContact O-CB 3.24Å; V663-L674 PolarHBondContact O-N 3.09Å; V665-L674 HydrophobicContact CB-CD1 4.13Å; V665-L674 HydrophobicContact CG2-CD1 3.76Å; L674-A676 PolarHBondContact O-N 3.42Å
675V96.1Very high91.8Very high2 Ų231.2 Ų31.21%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-81.2100.8173.9177.10000107.8I395 Y396 L432 L638 V660 P673I395-V675 CarbonylContact C-O 3.53Å; I395-V675 WeakPolarHBondContact CA-O 3.48Å; I395-V675 WeakPolarHBondContact CB-O 3.38Å; Y396-V675 PolarHBondContact N-O 3.42Å; L432-V675 HydrophobicContact CD1-CG2 3.82Å; L638-V675 HydrophobicContact CD1-CG2 3.97Å; V660-V675 HydrophobicContact CG1-CG1 3.6Å; P673-V675 PolarHBondContact O-N 2.94Å
676A98.2Very high92.1Very high0 Ų033.6 Ų33.60%015%0.149CC..EExtended strand (participates in β ladder)trans-104.1140.9-175.300000112.3V361 F392 I395 V660 Q661 V663 L674 F678V361-A676 HydrophobicContact CG1-CB 4.26Å; V361-A676 HydrophobicContact CG2-CB 3.81Å; F392-A676 HydrophobicContact CD2-CB 4.46Å; F392-A676 HydrophobicContact CE2-CB 3.96Å; I395-A676 HydrophobicContact CG2-CB 4.35Å; V660-A676 WeakPolarHBondContact CA-O 3Å; Q661-A676 PolarHBondContact N-O 2.91Å; Q661-A676 PolarHBondContact O-N 2.92Å; V663-A676 HydrophobicContact CG2-CB 3.88Å; L674-A676 PolarHBondContact O-N 3.42Å; A676-F678 HydrophobicContact CB-CD2 4.35Å; A676-F678 HydrophobicContact CB-CE2 3.68Å
677F98.6Very high93Very high0 Ų034.1 Ų34.10%016%0.156CC..EExtended strand (participates in β ladder)trans-102.8131.8175.2-62.9-78.4000111.3F392 V393 C394 Y396 L650 L658 L659 V660 W691F392-F677 WeakPolarHBondContact CD2-O 3.38Å; V393-F677 HydrophobicContact CB-CB 4.39Å; V393-F677 PolarHBondContact N-O 2.85Å; C394-F677 WeakPolarHBondContact O-CD2 3.47Å; C394-F677 PolarHBondContact O-N 2.66Å; Y396-F677 HydrophobicContact CD2-CE2 4.1Å; Y396-F677 HydrophobicContact CD2-CZ 4.12Å; Y396-F677 HydrophobicContact CG-CE2 4.46Å; L650-F677 HydrophobicContact CD1-CD1 4.17Å; L650-F677 HydrophobicContact CD1-CD2 3.49Å; L650-F677 VanDerWaalsContact CD1-CD2 3.49Å; L650-F677 HydrophobicContact CD1-CE1 4.19Å; L650-F677 HydrophobicContact CD1-CE2 3.51Å; L650-F677 HydrophobicContact CD1-CG 3.83Å; L650-F677 HydrophobicContact CD1-CZ 3.88Å; L658-F677 HydrophobicContact CB-CD1 4.49Å; L658-F677 HydrophobicContact CD1-CB 4.17Å; L658-F677 HydrophobicContact CD1-CD1 4.06Å; L658-F677 HydrophobicContact CD1-CG 4.27Å; L659-F677 WeakPolarHBondContact O-CA 3.42Å; V660-F677 HydrophobicContact CG2-CD1 3.98Å; V660-F677 HydrophobicContact CG2-CE1 3.76Å; F677-W691 HydrophobicContact CD1-CB 4.42Å; F677-W691 HydrophobicContact CD1-CG 4.42Å; F677-W691 HydrophobicContact CE1-CB 4.06Å; F677-W691 AromaticContact CE1-CD1 3.99Å; F677-W691 AromaticContact CE1-CD2 3.65Å; F677-W691 HydrophobicContact CE1-CD2 3.65Å; F677-W691 HydrophobicContact CE1-CE3 4.1Å; F677-W691 AromaticContact CE1-CG 3.64Å; F677-W691 HydrophobicContact CE1-CG 3.64Å; F677-W691 HydrophobicContact CZ-CD2 4.17Å; F677-W691 HydrophobicContact CZ-CG 4.39Å
678F98.6Very high93.8Very high0 Ų035.8 Ų35.80%016%0.163CC..EExtended strand (participates in β ladder)trans-127.5148.5174.1-66.5-100.7000109.6Y329 L334 V360 V361 G390 T391 F392 L658 L659 Q661 A676 N680Y329-F678 HydrophobicContact CD1-CE1 4.29Å; Y329-F678 HydrophobicContact CD1-CZ 4.5Å; Y329-F678 AromaticContact CE1-CE1 3.67Å; Y329-F678 HydrophobicContact CE1-CE1 3.67Å; Y329-F678 HydrophobicContact CE1-CE2 4.42Å; Y329-F678 AromaticContact CE1-CZ 3.48Å; Y329-F678 HydrophobicContact CE1-CZ 3.48Å; Y329-F678 VanDerWaalsContact CE1-CZ 3.48Å; Y329-F678 AromaticContact CZ-CZ 3.93Å; L334-F678 HydrophobicContact CB-CB 4.44Å; L334-F678 HydrophobicContact CB-CD1 3.61Å; L334-F678 HydrophobicContact CB-CE1 3.91Å; L334-F678 HydrophobicContact CB-CG 3.98Å; L334-F678 HydrophobicContact CD2-CB 4.34Å; L334-F678 HydrophobicContact CD2-CD1 4.16Å; L334-F678 HydrophobicContact CD2-CD2 3.62Å; L334-F678 HydrophobicContact CD2-CE1 4.38Å; L334-F678 HydrophobicContact CD2-CE2 3.88Å; L334-F678 HydrophobicContact CD2-CG 3.79Å; L334-F678 HydrophobicContact CD2-CZ 4.26Å; V360-F678 HydrophobicContact CG1-CE1 4.2Å; V361-F678 HydrophobicContact CG2-CE2 4.24Å; V361-F678 HydrophobicContact CG2-CZ 3.81Å; G390-F678 WeakPolarHBondContact O-CD1 3.5Å; T391-F678 CarbonylContact O-C 3.55Å; T391-F678 VanDerWaalsContact O-CA 3.25Å; T391-F678 WeakPolarHBondContact O-CA 3.39Å; F392-F678 HydrophobicContact CB-CD1 3.93Å; F392-F678 HydrophobicContact CB-CE1 3.62Å; F392-F678 HydrophobicContact CB-CZ 4.22Å; F392-F678 HydrophobicContact CD2-CE1 4.12Å; F392-F678 HydrophobicContact CD2-CE2 4.14Å; F392-F678 AromaticContact CD2-CZ 3.9Å; F392-F678 HydrophobicContact CD2-CZ 3.9Å; F392-F678 HydrophobicContact CG-CE1 4.27Å; F392-F678 HydrophobicContact CG-CZ 4.39Å; L658-F678 CarbonylContact C-O 3.58Å; L658-F678 VanDerWaalsContact CA-O 3.29Å; L658-F678 WeakPolarHBondContact CA-O 3.29Å; L659-F678 HydrophobicContact CD1-CB 4.11Å; L659-F678 HydrophobicContact CG-CB 4.11Å; L659-F678 PolarHBondContact N-O 3.15Å; L659-F678 PolarHBondContact O-N 3.44Å; Q661-F678 HydrophobicContact CB-CD2 3.88Å; Q661-F678 HydrophobicContact CB-CE2 3.88Å; Q661-F678 HydrophobicContact CG-CE2 4.29Å; A676-F678 HydrophobicContact CB-CD2 4.35Å; A676-F678 HydrophobicContact CB-CE2 3.68Å; F678-N680 PolarHBondContact O-N 2.79Å
679T98.4Very high94.6Very high0 Ų034.3 Ų34.30%016%0.156CC..EExtended strand (participates in β ladder)trans-68.6129.4173.951.50000111.4I387 D388 G390 T391 V393 N657 L658 V683I387-T679 HydrophobicContact CB-CG2 4.38Å; I387-T679 HydrophobicContact CG2-CG2 3.69Å; D388-T679 PolarHBondContact O-OG1 3.17Å; G390-T679 WeakPolarHBondContact CA-O 3.19Å; G390-T679 PolarHBondContact N-O 3.21Å; G390-T679 PolarHBondContact N-OG1 3.05Å; G390-T679 VanDerWaalsContact N-OG1 3.16Å; T391-T679 PolarHBondContact N-OG1 2.57Å; T391-T679 PolarHBondContact O-N 3.42Å; T391-T679 PolarHBondContact O-OG1 3Å; V393-T679 HydrophobicContact CG2-CG2 3.96Å; N657-T679 CarbonylContact O-C 3.49Å; N657-T679 WeakPolarHBondContact O-CA 3.4Å; L658-T679 HydrophobicContact CD2-CG2 4.26Å; T679-V683 HydrophobicContact CG2-CG2 3.83Å
680N97.1Very high95.3Very high37 Ų3732.7 Ų32.720%0.19815%0.148CC..SBendtrans-85.9-15.1179.670.431.6000114.1R389 P656 N657 L658 L659 F678R389-N680 WeakPolarHBondContact CD-O 3.35Å; R389-N680 PolarHBondContact NE-O 2.77Å; P656-N680 PolarHBondContact O-ND2 2.67Å; P656-N680 PolarHBondContact O-OD1 2.88Å; N657-N680 PolarHBondContact O-N 3.03Å; N657-N680 PolarHBondContact O-OD1 3.49Å; L658-N680 PolarHBondContact O-ND2 2.9Å; L659-N680 HydrophobicContact CB-CB 4.16Å; L659-N680 HydrophobicContact CD2-CB 4.12Å; F678-N680 PolarHBondContact O-N 2.79Å
681R96.8Very high95.9Very high80 Ų8028.8 Ų28.830%0.30213%0.133SC..SBendtrans-144.6177.1179.565.1-175.383.7-168.913.9110.2R389 E555 C655 P656 N657R389-R681 WeakPolarHBondContact CA-O 3.38Å; E555-R681 IonicContact OE2-NH1 2.61Å; C655-R681 PolarHBondContact SG-NH2 3.37Å; P656-R681 PolarHBondContact O-NH2 3Å; N657-R681 HydrophobicContact CB-CG 4.2Å
682Y97.2Very high96.5Very high63 Ų6328.5 Ų28.525%0.24713%0.132CC..  trans-64.3135.9165.6157.9-105.2000109.9N225 Y227 V228 R232 D386 I387 K684N225-Y682 WeakPolarHBondContact ND2-CD2 3.33Å; Y227-Y682 PolarHBondContact O-OH 3.5Å; V228-Y682 HydrophobicContact CG2-CD2 3.77Å; V228-Y682 HydrophobicContact CG2-CE2 3.59Å; R232-Y682 PolarHBondContact NH2-OH 3.22Å; R232-Y682 VanDerWaalsContact NH2-OH 3.16Å; D386-Y682 HydrophobicContact CB-CE2 4.06Å; D386-Y682 VanDerWaalsContact CG-OH 3.32Å; D386-Y682 PolarHBondContact OD2-OH 3.11Å; I387-Y682 WeakPolarHBondContact O-CD2 3.2Å; Y682-K684 HydrophobicContact CE1-CB 4.35Å
683V97.8Very high96.8Very high3 Ų330.1 Ų30.12%0.01814%0.138CC..BIsolated β-bridgetrans-121121.7177.9-172.10000109.3D386 I387 N657 T679 T687 L689D386-V683 CarbonylContact C-O 3.5Å; D386-V683 WeakPolarHBondContact CA-O 3.41Å; I387-V683 HydrophobicContact CB-CB 4.44Å; I387-V683 PolarHBondContact N-O 3.27Å; I387-V683 PolarHBondContact O-N 3.35Å; N657-V683 HydrophobicContact CB-CG2 4.07Å; T679-V683 HydrophobicContact CG2-CG2 3.83Å; V683-T687 HydrophobicContact CG1-CG2 4.1Å; V683-L689 HydrophobicContact CG1-CD2 3.9Å
684K97.2Very high96.6Very high97 Ų9732.6 Ų32.642%0.42217%0.165SC..  trans-69.7142.4173.6-173.1-175.9177.5-174.50109.9Y234 C383 Y682 T687Y234-K684 WeakPolarHBondContact OH-CE 3.31Å; C383-K684 PolarHBondContact SG-O 3.37Å; Y682-K684 HydrophobicContact CE1-CB 4.35Å; K684-T687 WeakPolarHBondContact O-CB 3.5Å; K684-T687 PolarHBondContact O-N 3.18Å; K684-T687 PolarHBondContact O-OG1 3.24Å; K684-T687 VanDerWaalsContact O-OG1 3.09Å
685A96.4Very high96.1Very high2 Ų234.6 Ų34.62%0.01717%0.171CC..THydrogen-bonded Turntrans-48.8148171.600000112.1Y234 L384 D385 D386 T687Y234-A685 HydrophobicContact CE2-CB 3.67Å; Y234-A685 PolarHBondContact OH-O 3.44Å; L384-A685 WeakPolarHBondContact O-CB 3.34Å; D385-A685 VanDerWaalsContact C-CB 3.43Å; D385-A685 WeakPolarHBondContact O-CA 3.25Å; D386-A685 WeakPolarHBondContact OD1-CB 3.44Å; D386-A685 PolarHBondContact OD1-N 3.09Å; A685-T687 PolarHBondContact O-N 2.87Å
686R94.9Very high95.3Very high73 Ų7341.5 Ų41.528%0.27520%0.203SC..THydrogen-bonded Turntrans65.6-5.7-173.8-61.3-74.4178.5138.3-5.5116Y234 E260 C383Y234-R686 HydrophobicContact CD1-CG 4.23Å; Y234-R686 HydrophobicContact CD2-CG 3.75Å; Y234-R686 HydrophobicContact CE1-CB 4.34Å; Y234-R686 HydrophobicContact CE1-CG 4.2Å; Y234-R686 HydrophobicContact CE2-CB 4.24Å; Y234-R686 HydrophobicContact CE2-CG 3.67Å; Y234-R686 HydrophobicContact CG-CG 4.02Å; E260-R686 IonicContact OE1-NH1 3.31Å; C383-R686 VanDerWaalsContact O-CA 3.27Å; C383-R686 WeakPolarHBondContact O-CA 3.28Å; C383-R686 PolarHBondContact O-N 3.36Å
687T96.2Very high94.2Very high58 Ų5844.7 Ų44.736%0.35623%0.229SC..PPolyproline II helixtrans-67.8137.3170.5-60.30000111.4R382 C383 V683 K684 A685R382-T687 WeakPolarHBondContact CA-O 3.4Å; R382-T687 WeakPolarHBondContact CB-O 3.45Å; C383-T687 PolarHBondContact N-O 3.04Å; V683-T687 HydrophobicContact CG1-CG2 4.1Å; K684-T687 WeakPolarHBondContact O-CB 3.5Å; K684-T687 PolarHBondContact O-N 3.18Å; K684-T687 PolarHBondContact O-OG1 3.24Å; K684-T687 VanDerWaalsContact O-OG1 3.09Å; A685-T687 PolarHBondContact O-N 2.87Å
688E98.1Very high92.8Very high37 Ų3746.9 Ų46.917%0.17325%0.251CS..BIsolated β-bridgetrans-65.4132.6175.5-170.6-176.6174.700111.2F372 K377 V381 N651 N657 T690F372-E688 HydrophobicContact CE1-CB 4.25Å; F372-E688 HydrophobicContact CE1-CG 3.98Å; F372-E688 HydrophobicContact CZ-CB 4.04Å; F372-E688 HydrophobicContact CZ-CG 3.98Å; K377-E688 IonicContact NZ-OE1 2.7Å; K377-E688 PolarHBondContact NZ-OE1 3.11Å; K377-E688 IonicContact NZ-OE2 2.79Å; K377-E688 PolarHBondContact NZ-OE2 3.4Å; V381-E688 CarbonylContact O-C 3.48Å; V381-E688 WeakPolarHBondContact O-CA 3.47Å; N651-E688 VanDerWaalsContact CB-OE1 3.3Å; N651-E688 WeakPolarHBondContact CB-OE1 3.4Å; N651-E688 PolarHBondContact ND2-OE1 3.38Å; N657-E688 PolarHBondContact ND2-O 3.22Å; E688-T690 HydrophobicContact CG-CG2 3.94Å
689L98.7Very high91.7Very high0 Ų050.5 Ų50.50%027%0.274CS..PPolyproline II helixtrans-89.3120178.6-59.4179.2000109.5L369 V381 C383 V393 L650 N657 L658 V683L369-L689 HydrophobicContact CD2-CD1 3.62Å; V381-L689 HydrophobicContact CG1-CD1 4.39Å; V381-L689 PolarHBondContact O-N 3.42Å; C383-L689 HydrophobicContact CB-CD1 4.43Å; V393-L689 HydrophobicContact CG1-CD1 3.84Å; L650-L689 HydrophobicContact CD2-CB 3.67Å; L650-L689 WeakPolarHBondContact CD2-O 3.48Å; N657-L689 WeakPolarHBondContact OD1-CA 3.38Å; L658-L689 HydrophobicContact CD1-CB 4.17Å; L658-L689 HydrophobicContact CD2-CD2 4.45Å; L658-L689 HydrophobicContact CG-CB 4.45Å; V683-L689 HydrophobicContact CG1-CD2 3.9Å
690T98.5Very high90.7Very high9 Ų953.6 Ų53.66%0.05529%0.292CS..EExtended strand (participates in β ladder)trans-137.5147.6-170.355.60000112.5N651 S653 P656 N657 L658 E688N651-T690 HydrophobicContact CB-CG2 4.33Å; N651-T690 VanDerWaalsContact O-CA 3.23Å; N651-T690 WeakPolarHBondContact O-CA 3.13Å; N651-T690 WeakPolarHBondContact O-CB 3.25Å; S653-T690 VanDerWaalsContact CB-OG1 3.29Å; S653-T690 WeakPolarHBondContact CB-OG1 3.3Å; P656-T690 VanDerWaalsContact CB-O 3.26Å; P656-T690 WeakPolarHBondContact CB-O 3.44Å; N657-T690 PolarHBondContact N-O 3.34Å; N657-T690 PolarHBondContact OD1-N 2.97Å; N657-T690 PolarHBondContact OD1-O 3.38Å; L658-T690 WeakPolarHBondContact CB-O 3.43Å; L658-T690 WeakPolarHBondContact CG-O 3.31Å; L658-T690 PolarHBondContact N-O 3.34Å; E688-T690 HydrophobicContact CG-CG2 3.94Å
691W97.6Very high89.2Confident22 Ų2257.5 Ų57.58%0.08332%0.32CS..EExtended strand (participates in β ladder)trans-129.5159.9178.765.6-64.4000110.9L650 N651 H652 S653 L658 V660 F677 Y693L650-W691 PolarHBondContact O-NE1 3.17Å; N651-W691 PolarHBondContact O-N 2.97Å; N651-W691 VanDerWaalsContact O-N 3.1Å; H652-W691 VanDerWaalsContact CA-O 3.3Å; H652-W691 WeakPolarHBondContact CA-O 3.46Å; H652-W691 PolarHBondContact ND1-O 3.34Å; S653-W691 PolarHBondContact N-O 3.1Å; S653-W691 VanDerWaalsContact N-O 3.09Å; L658-W691 HydrophobicContact CB-CB 4.21Å; V660-W691 HydrophobicContact CG2-CD2 4.47Å; V660-W691 HydrophobicContact CG2-CE3 3.74Å; V660-W691 HydrophobicContact CG2-CZ3 4.44Å; F677-W691 HydrophobicContact CD1-CB 4.42Å; F677-W691 HydrophobicContact CD1-CG 4.42Å; F677-W691 HydrophobicContact CE1-CB 4.06Å; F677-W691 AromaticContact CE1-CD1 3.99Å; F677-W691 AromaticContact CE1-CD2 3.65Å; F677-W691 HydrophobicContact CE1-CD2 3.65Å; F677-W691 HydrophobicContact CE1-CE3 4.1Å; F677-W691 AromaticContact CE1-CG 3.64Å; F677-W691 HydrophobicContact CE1-CG 3.64Å; F677-W691 HydrophobicContact CZ-CD2 4.17Å; F677-W691 HydrophobicContact CZ-CG 4.39Å; W691-Y693 AromaticContact CD2-CD1 3.96Å; W691-Y693 HydrophobicContact CD2-CD1 3.96Å; W691-Y693 HydrophobicContact CD2-CE1 4.39Å; W691-Y693 AromaticContact CE2-CD1 3.48Å; W691-Y693 VanDerWaalsContact CE2-CD1 3.48Å; W691-Y693 AromaticContact CE2-CE1 3.6Å; W691-Y693 HydrophobicContact CE3-CD1 4.47Å; W691-Y693 HydrophobicContact CG-CD1 4.43Å; W691-Y693 HydrophobicContact CH2-CD1 4.08Å; W691-Y693 AromaticContact CZ2-CD1 3.57Å; W691-Y693 HydrophobicContact CZ2-CD1 3.57Å; W691-Y693 AromaticContact CZ2-CE1 3.83Å; W691-Y693 HydrophobicContact CZ2-CE1 3.83Å; W691-Y693 HydrophobicContact CZ2-CG 4.36Å; W691-Y693 HydrophobicContact CZ3-CD1 4.5Å; W691-Y693 AromaticContact NE1-CD1 3.71Å; W691-Y693 AromaticContact NE1-CE1 3.36Å
692D95.4Very high88.2Confident54 Ų5462.9 Ų62.929%0.28935%0.348SS..  trans-79.1124.5169.1-163.7-24.2000108.9H652 P656 G694 R715H652-D692 IonicContact CE1-OD1 2.69Å; H652-D692 PolarHBondContact CE1-OD1 3.49Å; H652-D692 VanDerWaalsContact CE1-OD1 3.25Å; H652-D692 IonicContact ND1-OD1 2.64Å; P656-D692 HydrophobicContact CG-CB 4.33Å; D692-G694 PolarHBondContact O-N 2.84Å; D692-G694 PolarHBondContact OD1-N 2.74Å; D692-R715 IonicContact OD1-CZ 2.64Å; D692-R715 IonicContact OD1-NH1 3.67Å; D692-R715 IonicContact OD1-NH2 3.85Å; D692-R715 PolarHBondContact OD1-NH2 3.23Å; D692-R715 IonicContact OD2-CZ 3.78Å; D692-R715 IonicContact OD2-NH1 2.81Å; D692-R715 PolarHBondContact OD2-NH1 2.92Å; D692-R715 IonicContact OD2-NH2 3.05Å; D692-R715 PolarHBondContact OD2-NH2 3.45Å
693Y93.8Very high87.2Confident51 Ų5163.6 Ų63.620%0.235%0.353CS..  trans-69.4-19.7-178.8-77.48.3000112.4L650 N651 H652 W691 Y695 I718L650-Y693 PolarHBondContact O-OH 3.15Å; N651-Y693 WeakPolarHBondContact CA-OH 3.49Å; H652-Y693 HydrophobicContact CB-CD1 3.72Å; H652-Y693 HydrophobicContact CB-CD2 3.95Å; H652-Y693 HydrophobicContact CB-CE1 3.68Å; H652-Y693 HydrophobicContact CB-CE2 3.93Å; H652-Y693 HydrophobicContact CB-CG 3.86Å; H652-Y693 PolarHBondContact N-OH 2.91Å; H652-Y693 PolarHBondContact ND1-N 3.26Å; W691-Y693 AromaticContact CD2-CD1 3.96Å; W691-Y693 HydrophobicContact CD2-CD1 3.96Å; W691-Y693 HydrophobicContact CD2-CE1 4.39Å; W691-Y693 AromaticContact CE2-CD1 3.48Å; W691-Y693 VanDerWaalsContact CE2-CD1 3.48Å; W691-Y693 AromaticContact CE2-CE1 3.6Å; W691-Y693 HydrophobicContact CE3-CD1 4.47Å; W691-Y693 HydrophobicContact CG-CD1 4.43Å; W691-Y693 HydrophobicContact CH2-CD1 4.08Å; W691-Y693 AromaticContact CZ2-CD1 3.57Å; W691-Y693 HydrophobicContact CZ2-CD1 3.57Å; W691-Y693 AromaticContact CZ2-CE1 3.83Å; W691-Y693 HydrophobicContact CZ2-CE1 3.83Å; W691-Y693 HydrophobicContact CZ2-CG 4.36Å; W691-Y693 HydrophobicContact CZ3-CD1 4.5Å; W691-Y693 AromaticContact NE1-CD1 3.71Å; W691-Y693 AromaticContact NE1-CE1 3.36Å; Y693-Y695 VanDerWaalsContact C-N 3.27Å; Y693-Y695 AromaticContact CD2-CD2 3.95Å; Y693-Y695 HydrophobicContact CD2-CD2 3.95Å; Y693-Y695 AromaticContact CD2-CE2 3.8Å; Y693-Y695 HydrophobicContact CD2-CE2 3.8Å; Y693-Y695 HydrophobicContact CG-CD2 4.32Å; Y693-Y695 HydrophobicContact CG-CE2 4.32Å; Y693-Y695 PolarHBondContact O-N 3.42Å; Y693-I718 HydrophobicContact CD2-CG2 4.03Å
694G87.8Confident86.5Confident61 Ų6168.7 Ų68.763%0.62938%0.376SS*.  trans72.417.2-179.400000114.2D692D692-G694 PolarHBondContact O-N 2.84Å; D692-G694 PolarHBondContact OD1-N 2.74Å
695Y85.6Confident86.1Confident78 Ų7866.4 Ų66.431%0.30637%0.368SS..PPolyproline II helixtrans-80.9138.5169-65.4-56.4000110.4Y693 I718 L719Y693-Y695 VanDerWaalsContact C-N 3.27Å; Y693-Y695 AromaticContact CD2-CD2 3.95Å; Y693-Y695 HydrophobicContact CD2-CD2 3.95Å; Y693-Y695 AromaticContact CD2-CE2 3.8Å; Y693-Y695 HydrophobicContact CD2-CE2 3.8Å; Y693-Y695 HydrophobicContact CG-CD2 4.32Å; Y693-Y695 HydrophobicContact CG-CE2 4.32Å; Y693-Y695 PolarHBondContact O-N 3.42Å; Y695-I718 WeakPolarHBondContact CB-O 3.4Å; Y695-I718 HydrophobicContact CD2-CG2 4.02Å; Y695-L719 HydrophobicContact CD1-CD2 3.88Å; Y695-L719 HydrophobicContact CD1-CG 4.4Å; Y695-L719 HydrophobicContact CD2-CD1 4.1Å; Y695-L719 HydrophobicContact CD2-CD2 4.44Å; Y695-L719 HydrophobicContact CD2-CG 4.09Å; Y695-L719 HydrophobicContact CE2-CD1 4.27Å; Y695-L719 HydrophobicContact CG-CD1 4.28Å; Y695-L719 HydrophobicContact CG-CD2 3.81Å; Y695-L719 HydrophobicContact CG-CG 3.92Å
696E78.6Confident85.9Confident147 Ų14772.8 Ų72.869%0.68740%0.396SS*.PPolyproline II helixtrans-97.7137.9169.5-63.6177.7164.400109.2T699E696-T699 HydrophobicContact CB-CG2 3.77Å; E696-T699 WeakPolarHBondContact O-CB 3.43Å; E696-T699 WeakPolarHBondContact O-CG2 3.43Å; E696-T699 PolarHBondContact O-N 3.1Å; E696-T699 PolarHBondContact O-OG1 2.93Å
697A75.8Confident85.8Confident66 Ų6670.1 Ų70.155%0.54539%0.388SS..THydrogen-bonded Turntrans-67.8138.1-175.600000111.2T699 K717 L719A697-T699 VanDerWaalsContact C-N 3.32Å; A697-K717 HydrophobicContact CB-CB 4.03Å; A697-L719 VanDerWaalsContact CA-OXT 3.29Å; A697-L719 WeakPolarHBondContact CA-OXT 3.39Å
698G68.3Low85.8Confident46 Ų4671.7 Ų71.747%0.47439%0.391SS..THydrogen-bonded Turntrans82.3-1.9-176.300000115.3V700 L719G698-V700 PolarHBondContact O-N 2.81Å; G698-V700 VanDerWaalsContact O-N 3.16Å; G698-L719 PolarHBondContact N-OXT 3.39Å
699T75Confident85.6Confident77 Ų7770.8 Ų70.847%0.47239%0.389SS..SBendtrans-65.1-13.8172.951.60000113.9E696 A697E696-T699 HydrophobicContact CB-CG2 3.77Å; E696-T699 WeakPolarHBondContact O-CB 3.43Å; E696-T699 WeakPolarHBondContact O-CG2 3.43Å; E696-T699 PolarHBondContact O-N 3.1Å; E696-T699 PolarHBondContact O-OG1 2.93Å; A697-T699 VanDerWaalsContact C-N 3.32Å
700V77.1Confident85.2Confident64 Ų6474.3 Ų74.339%0.38843%0.425SS..SBendtrans-128.186.1169.3-1760000108G698 E702 K703 L719G698-V700 PolarHBondContact O-N 2.81Å; G698-V700 VanDerWaalsContact O-N 3.16Å; V700-E702 PolarHBondContact O-N 3.01Å; V700-K703 HydrophobicContact CG1-CB 4.11Å; V700-K703 PolarHBondContact O-N 3.47Å; V700-L719 HydrophobicContact CG2-CD2 4.08Å
701P66.6Low85Confident120 Ų12075.9 Ų75.978%0.77944%0.435SS*.THydrogen-bonded Turntrans-57.9-26.8-171.3-28.336000115K703P701-K703 VanDerWaalsContact C-N 3.25Å; P701-K703 PolarHBondContact O-N 3.38Å
702E75.6Confident84.7Confident192 Ų19280.7 Ų80.790%0.89746%0.462SS*.THydrogen-bonded Turntrans-75.3-7.5178.4-62.2174.5-178.200113.8V700V700-E702 PolarHBondContact O-N 3.01Å
703K76.6Confident84.5Confident79 Ų7987.3 Ų87.334%0.34349%0.488SS..  trans-154.4101.3-170.3-167.4-171.4179.9-1700115.3V700 P701 I705V700-K703 HydrophobicContact CG1-CB 4.11Å; V700-K703 PolarHBondContact O-N 3.47Å; P701-K703 VanDerWaalsContact C-N 3.25Å; P701-K703 PolarHBondContact O-N 3.38Å; K703-I705 HydrophobicContact CD-CD1 4.38Å; K703-I705 HydrophobicContact CD-CG1 4.49Å; K703-I705 HydrophobicContact CG-CG1 4.42Å
704E83.3Confident84.5Confident110 Ų11085.7 Ų85.751%0.51448%0.484SS..  trans-79.1145.2166.2-48-154.3140.800112.4K717 L719E704-K717 IonicContact OE1-NZ 2.81Å; E704-K717 PolarHBondContact OE1-NZ 3.33Å; E704-K717 WeakPolarHBondContact OE2-CE 3.35Å; E704-K717 IonicContact OE2-NZ 3.72Å; E704-K717 PolarHBondContact OE2-NZ 2.89Å; E704-L719 CarbonylContact C-O 3.58Å; E704-L719 WeakPolarHBondContact CA-O 3.48Å
705I88.3Confident84.8Confident49 Ų4988.4 Ų88.425%0.25148%0.475SS..  trans-135.4112.4170.8-55-174.7000109.6K703 I718 L719K703-I705 HydrophobicContact CD-CD1 4.38Å; K703-I705 HydrophobicContact CD-CG1 4.49Å; K703-I705 HydrophobicContact CG-CG1 4.42Å; I705-I718 HydrophobicContact CB-CB 4.47Å; I705-I718 HydrophobicContact CG2-CB 4.46Å; I705-I718 HydrophobicContact CG2-CD1 4.36Å; I705-I718 PolarHBondContact O-N 2.82Å; I705-L719 HydrophobicContact CB-CB 4.34Å; I705-L719 HydrophobicContact CD1-CD1 3.97Å; I705-L719 HydrophobicContact CG1-CB 4.29Å; I705-L719 PolarHBondContact N-O 2.67Å
706F91.4Very high85Confident136 Ų13691.4 Ų91.460%0.59649%0.49SS*.BIsolated β-bridgetrans-69.1144.9178.1-65.3-77.6000113.3K716 K717F706-K716 WeakPolarHBondContact CA-O 3.41Å; F706-K717 HydrophobicContact CD1-CG 4.24Å; F706-K717 HydrophobicContact CE1-CG 4.33Å
707C94.1Very high85.5Confident16 Ų1687.4 Ų87.411%0.10847%0.47CS..  trans-94104.4-175.7-1760000112.7H652 C709 K716 I718H652-C707 PolarHBondContact CD2-SG 3.47Å; C707-C709 VanDerWaalsContact C-N 3.3Å; C707-C709 PolarHBondContact O-N 3.23Å; C707-K716 PolarHBondContact N-O 3.43Å; C707-I718 HydrophobicContact CB-CD1 4.32Å; C707-I718 HydrophobicContact CB-CG1 3.6Å
708Q95.1Very high86Confident91 Ų9185.4 Ų85.443%0.42545%0.45SS..  trans-90.537.9178.6-64.7169.9-2400112.9Q376 K377 G710Q376-Q708 HydrophobicContact CB-CB 4.41Å; Q376-Q708 HydrophobicContact CB-CG 4.46Å; Q376-Q708 PolarHBondContact O-OE1 3.11Å; K377-Q708 HydrophobicContact CD-CB 4.49Å; K377-Q708 WeakPolarHBondContact CD-O 3.46Å; K377-Q708 HydrophobicContact CG-CB 3.93Å; Q708-G710 VanDerWaalsContact C-N 3.33Å; Q708-G710 PolarHBondContact O-N 2.67Å
709C93.9Very high86.6Confident19 Ų1984 Ų8413%0.12843%0.432CS..  trans-79.3-9.5-176.870.90000115.1C707 V711C707-C709 VanDerWaalsContact C-N 3.3Å; C707-C709 PolarHBondContact O-N 3.23Å; C709-V711 HydrophobicContact CB-CG2 4.39Å; C709-V711 PolarHBondContact O-N 3.28Å
710G91.9Very high87.2Confident74 Ų7484.3 Ų84.376%0.76343%0.43SS*.  trans73-3.2179.700000115.8Q708Q708-G710 VanDerWaalsContact C-N 3.33Å; Q708-G710 PolarHBondContact O-N 2.67Å
711V93.6Very high87.7Confident41 Ų4185.4 Ų85.425%0.24843%0.432CS..  trans-76.9133.6-177.1-179.80000111.3C655 C709 K713 C714C655-V711 HydrophobicContact CB-CB 4.43Å; C655-V711 HydrophobicContact CB-CG1 3.74Å; C655-V711 HydrophobicContact CB-CG2 3.8Å; C709-V711 HydrophobicContact CB-CG2 4.39Å; C709-V711 PolarHBondContact O-N 3.28Å; V711-K713 VanDerWaalsContact C-N 3.35Å; V711-K713 PolarHBondContact O-N 2.64Å; V711-C714 HydrophobicContact CB-CB 4.42Å; V711-C714 WeakPolarHBondContact O-CB 3.04Å; V711-C714 PolarHBondContact O-N 2.79Å
712N90.8Very high88.9Confident123 Ų12383.4 Ų83.466%0.65841%0.412SS*.THydrogen-bonded Turntrans-54.3-47.5179.2-62.9-0000112.5C714N712-C714 VanDerWaalsContact C-N 3.26Å; N712-C714 PolarHBondContact O-N 3.14Å
713K92Very high89.6Confident194 Ų19477.1 Ų77.184%0.84338%0.384SS*.THydrogen-bonded Turntrans-86.742.2174.6-61.6-174.2179.4-178.80113.1V711V711-K713 VanDerWaalsContact C-N 3.35Å; V711-K713 PolarHBondContact O-N 2.64Å
714C94Very high90.5Very high16 Ų1676.9 Ų76.911%0.10839%0.386CS..  trans-75.5139.5177.5170.40000112.5V711 N712 K716V711-C714 HydrophobicContact CB-CB 4.42Å; V711-C714 WeakPolarHBondContact O-CB 3.04Å; V711-C714 PolarHBondContact O-N 2.79Å; N712-C714 VanDerWaalsContact C-N 3.26Å; N712-C714 PolarHBondContact O-N 3.14Å; C714-K716 PolarHBondContact O-N 3.46Å; C714-K716 PolarHBondContact SG-N 2.95Å
715R92.3Very high90.9Very high118 Ų11874.7 Ų74.745%0.44538%0.378SS..  trans-65-3.4175.2-61.9-161.2-66-100.28.5114.9C654 D692 K717C654-R715 PolarHBondContact SG-N 3.01Å; C654-R715 VanDerWaalsContact SG-N 3.39Å; D692-R715 IonicContact OD1-CZ 2.64Å; D692-R715 IonicContact OD1-NH1 3.67Å; D692-R715 IonicContact OD1-NH2 3.85Å; D692-R715 PolarHBondContact OD1-NH2 3.23Å; D692-R715 IonicContact OD2-CZ 3.78Å; D692-R715 IonicContact OD2-NH1 2.81Å; D692-R715 PolarHBondContact OD2-NH1 2.92Å; D692-R715 IonicContact OD2-NH2 3.05Å; D692-R715 PolarHBondContact OD2-NH2 3.45Å; R715-K717 PolarHBondContact O-N 3.21Å
716K90.9Very high91.1Very high142 Ų14276.6 Ų76.662%0.61739%0.387SS*.SBendtrans62.7-32.9-178.3-49.9-59.5-179.51750116.1F706 C707 C714F706-K716 WeakPolarHBondContact CA-O 3.41Å; C707-K716 PolarHBondContact N-O 3.43Å; C714-K716 PolarHBondContact O-N 3.46Å; C714-K716 PolarHBondContact SG-N 2.95Å
717K89.3Confident91.1Very high62 Ų6272 Ų7227%0.2737%0.371SS..BIsolated β-bridgetrans-114.1153.5169.5-67.4179.9179.1175.80111.1A697 E704 F706 R715A697-K717 HydrophobicContact CB-CB 4.03Å; E704-K717 IonicContact OE1-NZ 2.81Å; E704-K717 PolarHBondContact OE1-NZ 3.33Å; E704-K717 WeakPolarHBondContact OE2-CE 3.35Å; E704-K717 IonicContact OE2-NZ 3.72Å; E704-K717 PolarHBondContact OE2-NZ 2.89Å; F706-K717 HydrophobicContact CD1-CG 4.24Å; F706-K717 HydrophobicContact CE1-CG 4.33Å; R715-K717 PolarHBondContact O-N 3.21Å
718I85.2Confident90.8Very high24 Ų2476.7 Ų76.712%0.12339%0.393CS..  trans-100.9-44.5169.3-54.4-175.1000108.7H652 Y693 Y695 I705 C707H652-I718 HydrophobicContact CB-CD1 4.09Å; Y693-I718 HydrophobicContact CD2-CG2 4.03Å; Y695-I718 WeakPolarHBondContact CB-O 3.4Å; Y695-I718 HydrophobicContact CD2-CG2 4.02Å; I705-I718 HydrophobicContact CB-CB 4.47Å; I705-I718 HydrophobicContact CG2-CB 4.46Å; I705-I718 HydrophobicContact CG2-CD1 4.36Å; I705-I718 PolarHBondContact O-N 2.82Å; C707-I718 HydrophobicContact CB-CD1 4.32Å; C707-I718 HydrophobicContact CB-CG1 3.6Å
719L81.1Confident90.5Very high16 Ų1675.4 Ų75.48%0.08439%0.39CS..  trans-131.80173.3-79.3159.5000107.3Y695 A697 G698 V700 E704 I705Y695-L719 HydrophobicContact CD1-CD2 3.88Å; Y695-L719 HydrophobicContact CD1-CG 4.4Å; Y695-L719 HydrophobicContact CD2-CD1 4.1Å; Y695-L719 HydrophobicContact CD2-CD2 4.44Å; Y695-L719 HydrophobicContact CD2-CG 4.09Å; Y695-L719 HydrophobicContact CE2-CD1 4.27Å; Y695-L719 HydrophobicContact CG-CD1 4.28Å; Y695-L719 HydrophobicContact CG-CD2 3.81Å; Y695-L719 HydrophobicContact CG-CG 3.92Å; A697-L719 VanDerWaalsContact CA-OXT 3.29Å; A697-L719 WeakPolarHBondContact CA-OXT 3.39Å; G698-L719 PolarHBondContact N-OXT 3.39Å; V700-L719 HydrophobicContact CG2-CD2 4.08Å; E704-L719 CarbonylContact C-O 3.58Å; E704-L719 WeakPolarHBondContact CA-O 3.48Å; I705-L719 HydrophobicContact CB-CB 4.34Å; I705-L719 HydrophobicContact CD1-CD1 3.97Å; I705-L719 HydrophobicContact CG1-CB 4.29Å; I705-L719 PolarHBondContact N-O 2.67Å

Retrieved 719 of 719 residues in 2401.8 ms (Link to these results)

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