A0A077Z114_TRITR Loading...

17 beta hydroxysteroid dehydrogenase type 6

AlphaFold DB , UniProt , Accession A0A077Z114, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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
1M43.7Very low69Low242 Ų242119.6 Ų119.6100%1.19269%0.689SS**  0107.80-76.9176.1171.600107.5A3M1-A3 PolarHBondContact O-N 3.25Å
2I52.4Low70.2Confident178 Ų178119.3 Ų119.391%0.91368%0.682SS**  trans-78.9112.1168.8-59.8172.9000104.6A4I2-A4 PolarHBondContact O-N 3.31Å
3A59.9Low70.9Confident87 Ų87116.2 Ų116.272%0.71967%0.666SS**PPolyproline II helixtrans-57.3136.7177.100000109.1M1M1-A3 PolarHBondContact O-N 3.25Å
4A66.2Low71.4Confident90 Ų90114.9 Ų114.974%0.74466%0.655SS**PPolyproline II helixtrans-55.1136.3173.200000108.9I2 N6I2-A4 PolarHBondContact O-N 3.31Å; A4-N6 PolarHBondContact O-N 3.41Å
5P66.8Low71.9Confident91 Ų91109.8 Ų109.859%0.59164%0.638SS**PPolyproline II helixtrans-58.1130.4176.922.2-30.2000109.2V10P5-V10 HydrophobicContact CB-CG2 4.07Å; P5-V10 HydrophobicContact CG-CG2 4.04Å
6N79.4Confident72.5Confident113 Ų113112 Ų11260%0.60464%0.638SS**PPolyproline II helixtrans-60.4147.8176.3-162.71.4000109.5A4 M8 T9 V10A4-N6 PolarHBondContact O-N 3.41Å; N6-M8 PolarHBondContact O-N 3.41Å; N6-T9 WeakPolarHBondContact O-CB 3.33Å; N6-T9 PolarHBondContact O-N 3.41Å; N6-V10 PolarHBondContact O-N 3.21Å
7E76.6Confident72.7Confident171 Ų171110.5 Ų110.580%0.79963%0.626SS**Hα-helixtrans-53.3-35.1-175.6-69.4-174.1164.100112.4T9 V10 S11E7-T9 PolarHBondContact O-N 3.3Å; E7-V10 PolarHBondContact O-N 3.32Å; E7-S11 WeakPolarHBondContact O-CB 3.29Å; E7-S11 PolarHBondContact O-N 3.24Å
8M76.8Confident72.8Confident130 Ų130107.2 Ų107.264%0.6461%0.611SS**Hα-helixtrans-61.2-40.2175.5-167177.976.600112.7N6 S11 L12N6-M8 PolarHBondContact O-N 3.41Å; M8-S11 PolarHBondContact O-N 2.96Å; M8-L12 HydrophobicContact CG-CD1 4.36Å; M8-L12 WeakPolarHBondContact O-CB 3.32Å; M8-L12 VanDerWaalsContact O-CG 3.32Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 3.06Å
9T78.6Confident73.2Confident69 Ų69109.7 Ų109.742%0.42362%0.615SS.*Hα-helixtrans-67.8-40.8178.6-47.60000110.9N6 E7 L12 V13N6-T9 WeakPolarHBondContact O-CB 3.33Å; N6-T9 PolarHBondContact O-N 3.41Å; E7-T9 PolarHBondContact O-N 3.3Å; T9-L12 PolarHBondContact O-N 3.05Å; T9-V13 VanDerWaalsContact O-CG2 3.3Å; T9-V13 WeakPolarHBondContact O-CG2 3.48Å; T9-V13 PolarHBondContact O-N 3.35Å
10V78.4Confident73.5Confident62 Ų62106.1 Ų106.138%0.37660%0.599SS.*Hα-helixtrans-63.3-44.9175.5178.40000110.5P5 N6 E7 L12 V13 I14P5-V10 HydrophobicContact CB-CG2 4.07Å; P5-V10 HydrophobicContact CG-CG2 4.04Å; N6-V10 PolarHBondContact O-N 3.21Å; E7-V10 PolarHBondContact O-N 3.32Å; V10-L12 PolarHBondContact O-N 3.27Å; V10-V13 PolarHBondContact O-N 3.5Å; V10-I14 HydrophobicContact CG1-CD1 3.71Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; V10-I14 WeakPolarHBondContact O-CB 3.33Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.41Å; V10-I14 PolarHBondContact O-N 3.43Å
11S80.6Confident73.9Confident83 Ų83107.7 Ų107.758%0.5860%0.6SS**Hα-helixtrans-60.4-43.1176.6-171.10000112.5E7 M8 I14 G15E7-S11 WeakPolarHBondContact O-CB 3.29Å; E7-S11 PolarHBondContact O-N 3.24Å; M8-S11 PolarHBondContact O-N 2.96Å; S11-I14 PolarHBondContact O-N 3.45Å; S11-G15 PolarHBondContact O-N 3.46Å
12L83Confident75.7Confident116 Ų116100.1 Ų100.161%0.60757%0.567SS**Hα-helixtrans-65.2-42.1176.8-74.7169.2000112.6M8 T9 V10 G15 F16M8-L12 HydrophobicContact CG-CD1 4.36Å; M8-L12 WeakPolarHBondContact O-CB 3.32Å; M8-L12 VanDerWaalsContact O-CG 3.32Å; M8-L12 WeakPolarHBondContact O-CG 3.28Å; M8-L12 PolarHBondContact O-N 3.06Å; T9-L12 PolarHBondContact O-N 3.05Å; V10-L12 PolarHBondContact O-N 3.27Å; L12-G15 PolarHBondContact O-N 3.29Å; L12-F16 WeakPolarHBondContact O-CB 3.37Å; L12-F16 PolarHBondContact O-N 3.16Å
13V79.7Confident77.2Confident78 Ų7894.8 Ų94.847%0.47354%0.543SS..Hα-helixtrans-66-44.2177.5172.10000111T9 V10 F16 I17T9-V13 VanDerWaalsContact O-CG2 3.3Å; T9-V13 WeakPolarHBondContact O-CG2 3.48Å; T9-V13 PolarHBondContact O-N 3.35Å; V10-V13 PolarHBondContact O-N 3.5Å; V13-F16 PolarHBondContact O-N 3.28Å; V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 HydrophobicContact CG1-CG1 4.49Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 2.61Å
14I77.7Confident78.1Confident98 Ų9893.9 Ų93.950%0.50353%0.529SS..Hα-helixtrans-63.8-42.6175.8-67.6170.4000110.7V10 S11 F16 I17 S18V10-I14 HydrophobicContact CG1-CD1 3.71Å; V10-I14 HydrophobicContact CG1-CG1 4.4Å; V10-I14 WeakPolarHBondContact O-CB 3.33Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.41Å; V10-I14 PolarHBondContact O-N 3.43Å; S11-I14 PolarHBondContact O-N 3.45Å; I14-F16 VanDerWaalsContact C-N 3.35Å; I14-I17 PolarHBondContact O-N 2.98Å; I14-S18 VanDerWaalsContact O-CB 3.25Å; I14-S18 WeakPolarHBondContact O-CB 3.29Å; I14-S18 PolarHBondContact O-N 3.43Å; I14-S18 PolarHBondContact O-OG 3.31Å
15G78.6Confident79Confident39 Ų3994.6 Ų94.640%0.40252%0.52SS..Hα-helixtrans-60.5-43.6175.600000111.9S11 L12 F19S11-G15 PolarHBondContact O-N 3.46Å; L12-G15 PolarHBondContact O-N 3.29Å; G15-F19 VanDerWaalsContact O-CB 3.24Å; G15-F19 WeakPolarHBondContact O-CB 3.27Å; G15-F19 PolarHBondContact O-N 3Å
16F81.4Confident79.8Confident145 Ų14596.3 Ų96.364%0.63652%0.519SS*.Hα-helixtrans-64.9-47.8175.6-175.9-96.3000112.2L12 V13 I14 S18 F19 A20L12-F16 WeakPolarHBondContact O-CB 3.37Å; L12-F16 PolarHBondContact O-N 3.16Å; V13-F16 PolarHBondContact O-N 3.28Å; I14-F16 VanDerWaalsContact C-N 3.35Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.36Å; F16-F19 PolarHBondContact O-N 3.19Å; F16-A20 HydrophobicContact CD1-CB 4.45Å; F16-A20 HydrophobicContact CE1-CB 4.2Å; F16-A20 HydrophobicContact CZ-CB 4.35Å; F16-A20 WeakPolarHBondContact O-CB 3.43Å; F16-A20 PolarHBondContact O-N 2.75Å
17I77Confident80.1Confident86 Ų8694.2 Ų94.244%0.44151%0.512SS..Hα-helixtrans-61.4-44.2177.5-68.3168.7000110.6V13 I14 F21V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 HydrophobicContact CG1-CG1 4.49Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 2.61Å; I14-I17 PolarHBondContact O-N 2.98Å; I17-F21 HydrophobicContact CG2-CD2 4.3Å; I17-F21 WeakPolarHBondContact O-CB 3.32Å; I17-F21 PolarHBondContact O-N 2.79Å
18S74.6Confident80.3Confident51 Ų5191.2 Ų91.236%0.35750%0.496SS..Iπ-helixtrans-62.2-46.1178.2-58.90000111.2I14 F16 V22 V23I14-S18 VanDerWaalsContact O-CB 3.25Å; I14-S18 WeakPolarHBondContact O-CB 3.29Å; I14-S18 PolarHBondContact O-N 3.43Å; I14-S18 PolarHBondContact O-OG 3.31Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.36Å; S18-V22 WeakPolarHBondContact O-CA 3.41Å; S18-V22 WeakPolarHBondContact O-CB 3.09Å; S18-V22 PolarHBondContact O-N 2.73Å; S18-V23 PolarHBondContact O-N 2.96Å
19F78.9Confident80.6Confident155 Ų15590.6 Ų90.668%0.6849%0.494SS*.Iπ-helixtrans-72.6-37.6-180-168.1-95.7000113G15 F16 V23 P24G15-F19 VanDerWaalsContact O-CB 3.24Å; G15-F19 WeakPolarHBondContact O-CB 3.27Å; G15-F19 PolarHBondContact O-N 3Å; F16-F19 PolarHBondContact O-N 3.19Å; F19-V23 HydrophobicContact CD2-CG2 4.33Å; F19-P24 WeakPolarHBondContact O-CD 3.31Å
20A80.8Confident80.8Confident37 Ų3791 Ų9131%0.30649%0.492SS..Iπ-helixtrans-79.2-29.9-176.400000113.5F16 P24F16-A20 HydrophobicContact CD1-CB 4.45Å; F16-A20 HydrophobicContact CE1-CB 4.2Å; F16-A20 HydrophobicContact CZ-CB 4.35Å; F16-A20 WeakPolarHBondContact O-CB 3.43Å; F16-A20 PolarHBondContact O-N 2.75Å; A20-P24 WeakPolarHBondContact O-CG 3.23Å
21F80.8Confident81Confident141 Ų14191 Ų9162%0.61849%0.488SS*.Iπ-helixtrans-118.4-46.6-176.5-64.1-80.7000113.2I17 L25I17-F21 HydrophobicContact CG2-CD2 4.3Å; I17-F21 WeakPolarHBondContact O-CB 3.32Å; I17-F21 PolarHBondContact O-N 2.79Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 3.34Å
22V82Confident80.8Confident83 Ų8389.9 Ų89.950%0.50348%0.475SS..Iπ-helixtrans-72-44.3-173.9-177.20000111.2S18 L25 F26S18-V22 WeakPolarHBondContact O-CA 3.41Å; S18-V22 WeakPolarHBondContact O-CB 3.09Å; S18-V22 PolarHBondContact O-N 2.73Å; V22-L25 PolarHBondContact O-N 2.78Å; V22-F26 VanDerWaalsContact O-CB 3.26Å; V22-F26 WeakPolarHBondContact O-CB 3.49Å; V22-F26 PolarHBondContact O-N 2.7Å
23V82.7Confident80.6Confident65 Ų6589.4 Ų89.439%0.39447%0.468SS..Hα-helixtrans-63.9-50.4179.4174.60000111.7S18 F19 L25 F26 C27S18-V23 PolarHBondContact O-N 2.96Å; F19-V23 HydrophobicContact CD2-CG2 4.33Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 2.77Å; V23-F26 PolarHBondContact O-N 3.24Å; V23-C27 WeakPolarHBondContact O-CB 3.22Å; V23-C27 PolarHBondContact O-N 3.09Å; V23-C27 PolarHBondContact O-SG 3.17Å
24P80.6Confident80.7Confident68 Ų6890.5 Ų90.544%0.44247%0.471SS..Hα-helixtrans-61.4-38.9175.6-27.937.6000113.1F19 A20 C27 K28F19-P24 WeakPolarHBondContact O-CD 3.31Å; A20-P24 WeakPolarHBondContact O-CG 3.23Å; P24-C27 PolarHBondContact O-N 3.13Å; P24-K28 VanDerWaalsContact O-CB 3.23Å; P24-K28 WeakPolarHBondContact O-CB 3.29Å; P24-K28 PolarHBondContact O-N 3.41Å
25L83.6Confident80.7Confident105 Ų10589.6 Ų89.655%0.5546%0.461SS..Hα-helixtrans-63.9-45.6175.8-178.464.3000111.2F21 V22 V23 K28 M29F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 3.34Å; V22-L25 PolarHBondContact O-N 2.78Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 2.77Å; L25-K28 WeakPolarHBondContact O-CB 3.41Å; L25-K28 PolarHBondContact O-N 2.83Å; L25-M29 HydrophobicContact CG-SD 4.35Å; L25-M29 WeakPolarHBondContact O-CB 3.44Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.5Å; L25-M29 PolarHBondContact O-N 2.88Å
26F85Confident80.4Confident127 Ų12794.7 Ų94.756%0.55747%0.468SS*.Hα-helixtrans-62.8-47.1176.6178-98.7000111.5V22 V23 K28 M29 L30V22-F26 VanDerWaalsContact O-CB 3.26Å; V22-F26 WeakPolarHBondContact O-CB 3.49Å; V22-F26 PolarHBondContact O-N 2.7Å; V23-F26 PolarHBondContact O-N 3.24Å; F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 3.42Å; F26-M29 PolarHBondContact O-N 3.44Å; F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 WeakPolarHBondContact O-CB 3.19Å; F26-L30 PolarHBondContact O-N 3.05Å
27C85.4Confident80.2Confident69 Ų6996.8 Ų96.847%0.46647%0.472SS..Hα-helixtrans-57.9-40.5173.7-71.60000111.2V23 P24 L30 E31V23-C27 WeakPolarHBondContact O-CB 3.22Å; V23-C27 PolarHBondContact O-N 3.09Å; V23-C27 PolarHBondContact O-SG 3.17Å; P24-C27 PolarHBondContact O-N 3.13Å; C27-L30 PolarHBondContact O-N 2.93Å; C27-E31 WeakPolarHBondContact O-CB 3.32Å; C27-E31 PolarHBondContact O-N 3.01Å
28K79.6Confident80.6Confident108 Ų10894.3 Ų94.347%0.4746%0.462SS..Hα-helixtrans-67-42.7177-172.359.2177.5178.90112.1P24 L25 F26 E31 M32P24-K28 VanDerWaalsContact O-CB 3.23Å; P24-K28 WeakPolarHBondContact O-CB 3.29Å; P24-K28 PolarHBondContact O-N 3.41Å; L25-K28 WeakPolarHBondContact O-CB 3.41Å; L25-K28 PolarHBondContact O-N 2.83Å; F26-K28 VanDerWaalsContact C-N 3.26Å; F26-K28 PolarHBondContact O-N 3.42Å; K28-E31 VanDerWaalsContact CD-OE2 3.29Å; K28-E31 WeakPolarHBondContact CD-OE2 3.35Å; K28-E31 IonicContact NZ-OE2 3.69Å; K28-E31 PolarHBondContact NZ-OE2 3.25Å; K28-E31 PolarHBondContact O-N 3.33Å; K28-M32 HydrophobicContact CG-SD 4.31Å; K28-M32 WeakPolarHBondContact O-CB 3.24Å; K28-M32 WeakPolarHBondContact O-CG 3.08Å; K28-M32 PolarHBondContact O-N 2.82Å
29M83.1Confident81.4Confident118 Ų11896 Ų9658%0.58147%0.47SS*.Hα-helixtrans-63.4-43.6175.4-74.5-177.667.900111.5L25 F26 M32 F33L25-M29 HydrophobicContact CG-SD 4.35Å; L25-M29 WeakPolarHBondContact O-CB 3.44Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.5Å; L25-M29 PolarHBondContact O-N 2.88Å; F26-M29 PolarHBondContact O-N 3.44Å; M29-M32 PolarHBondContact O-N 2.8Å; M29-F33 VanDerWaalsContact O-CB 3.27Å; M29-F33 WeakPolarHBondContact O-CB 3.22Å; M29-F33 PolarHBondContact O-N 3.22Å
30L84.1Confident82.1Confident76 Ų7689.8 Ų89.840%0.39844%0.444SS..Hα-helixtrans-64.9-45.8176.4-178.562.2000111F26 C27 M32 F33 L34F26-L30 HydrophobicContact CE1-CD2 4.35Å; F26-L30 WeakPolarHBondContact O-CB 3.19Å; F26-L30 PolarHBondContact O-N 3.05Å; C27-L30 PolarHBondContact O-N 2.93Å; L30-M32 VanDerWaalsContact C-N 3.35Å; L30-M32 PolarHBondContact O-N 3.21Å; L30-F33 WeakPolarHBondContact O-CB 3.2Å; L30-F33 PolarHBondContact O-N 2.76Å; L30-L34 HydrophobicContact CD1-CD1 4.14Å; L30-L34 HydrophobicContact CD1-CG 4.1Å; L30-L34 HydrophobicContact CG-CD1 3.98Å; L30-L34 HydrophobicContact CG-CG 4.34Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.34Å
31E81Confident82.6Confident62 Ų6290.6 Ų90.629%0.2946%0.455SS..Hα-helixtrans-55.9-50.4173.9-175.9-161.4-172.100110.5C27 K28 F33 L34 R35C27-E31 WeakPolarHBondContact O-CB 3.32Å; C27-E31 PolarHBondContact O-N 3.01Å; K28-E31 VanDerWaalsContact CD-OE2 3.29Å; K28-E31 WeakPolarHBondContact CD-OE2 3.35Å; K28-E31 IonicContact NZ-OE2 3.69Å; K28-E31 PolarHBondContact NZ-OE2 3.25Å; K28-E31 PolarHBondContact O-N 3.33Å; E31-F33 VanDerWaalsContact C-N 3.29Å; E31-F33 PolarHBondContact O-N 2.88Å; E31-L34 PolarHBondContact O-N 2.98Å; E31-R35 HydrophobicContact CG-CG 4.3Å; E31-R35 WeakPolarHBondContact O-CB 3.45Å; E31-R35 VanDerWaalsContact O-CG 3.23Å; E31-R35 WeakPolarHBondContact O-CG 3.23Å; E31-R35 PolarHBondContact O-N 2.8Å; E31-R35 IonicContact OE1-CZ 3.68Å; E31-R35 IonicContact OE1-NE 2.75Å; E31-R35 PolarHBondContact OE1-NE 3Å; E31-R35 IonicContact OE1-NH2 2.61Å; E31-R35 PolarHBondContact OE1-NH2 3.39Å
32M77Confident83.2Confident60 Ų6089.7 Ų89.730%0.29646%0.457SS..Hα-helixtrans-59.4-41.6177-75177.26400111.8K28 M29 L30 R36K28-M32 HydrophobicContact CG-SD 4.31Å; K28-M32 WeakPolarHBondContact O-CB 3.24Å; K28-M32 WeakPolarHBondContact O-CG 3.08Å; K28-M32 PolarHBondContact O-N 2.82Å; M29-M32 PolarHBondContact O-N 2.8Å; L30-M32 VanDerWaalsContact C-N 3.35Å; L30-M32 PolarHBondContact O-N 3.21Å; M32-R36 WeakPolarHBondContact O-CB 3.43Å; M32-R36 WeakPolarHBondContact O-CG 3.39Å; M32-R36 PolarHBondContact O-N 3.45Å; M32-R36 VanDerWaalsContact O-N 3.12Å
33F79.8Confident83.8Confident107 Ų10787.6 Ų87.647%0.46944%0.443SS..Hα-helixtrans-64.2-46.6178.1179.5-98.2000112M29 L30 E31M29-F33 VanDerWaalsContact O-CB 3.27Å; M29-F33 WeakPolarHBondContact O-CB 3.22Å; M29-F33 PolarHBondContact O-N 3.22Å; L30-F33 WeakPolarHBondContact O-CB 3.2Å; L30-F33 PolarHBondContact O-N 2.76Å; E31-F33 VanDerWaalsContact C-N 3.29Å; E31-F33 PolarHBondContact O-N 2.88Å
34L81Confident84.3Confident100 Ų10088 Ų8852%0.52445%0.446SS..Hα-helixtrans-67.9-43.4179.6-67.4175.8000111.8L30 E31 R36 R37 S38L30-L34 HydrophobicContact CD1-CD1 4.14Å; L30-L34 HydrophobicContact CD1-CG 4.1Å; L30-L34 HydrophobicContact CG-CD1 3.98Å; L30-L34 HydrophobicContact CG-CG 4.34Å; L30-L34 WeakPolarHBondContact O-CB 3.49Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.34Å; E31-L34 PolarHBondContact O-N 2.98Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.82Å; L34-R37 PolarHBondContact O-N 3.35Å; L34-S38 PolarHBondContact O-N 3.46Å
35R77Confident85.1Confident80 Ų8090.2 Ų90.230%0.30245%0.448SS..Hα-helixtrans-61.7-38.5177.9-73.3-177.9179.8-105.2-0.7112.5E31 R37 S38 S309 Y311E31-R35 HydrophobicContact CG-CG 4.3Å; E31-R35 WeakPolarHBondContact O-CB 3.45Å; E31-R35 VanDerWaalsContact O-CG 3.23Å; E31-R35 WeakPolarHBondContact O-CG 3.23Å; E31-R35 PolarHBondContact O-N 2.8Å; E31-R35 IonicContact OE1-CZ 3.68Å; E31-R35 IonicContact OE1-NE 2.75Å; E31-R35 PolarHBondContact OE1-NE 3Å; E31-R35 IonicContact OE1-NH2 2.61Å; E31-R35 PolarHBondContact OE1-NH2 3.39Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.5Å; R35-S38 PolarHBondContact O-N 2.87Å; R35-S309 PolarHBondContact O-OG 2.97Å; R35-Y311 PolarHBondContact NH1-O 2.72Å
36R72.7Confident85.7Confident146 Ų14686.6 Ų86.655%0.55143%0.428SS*.Hα-helixtrans-64.5-27.4177.9-79176.2-178.2-173.14.4113.6M32 L34M32-R36 WeakPolarHBondContact O-CB 3.43Å; M32-R36 WeakPolarHBondContact O-CG 3.39Å; M32-R36 PolarHBondContact O-N 3.45Å; M32-R36 VanDerWaalsContact O-N 3.12Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.82Å
37R77.4Confident86.4Confident189 Ų18980.6 Ų80.671%0.71340%0.402SS*.Hα-helixtrans-86.7-19-180-74.6-167.5171.3-160.1-1.8114L34 R35 T39L34-R37 PolarHBondContact O-N 3.35Å; R35-R37 VanDerWaalsContact C-N 3.26Å; R35-R37 PolarHBondContact O-N 3.5Å; R37-T39 PolarHBondContact O-N 3.4Å
38S85Confident87Confident34 Ų3477.3 Ų77.324%0.23838%0.38CS..  trans-91.3106-179-163.80000109.8L34 R35 S309 K310L34-S38 PolarHBondContact O-N 3.46Å; R35-S38 PolarHBondContact O-N 2.87Å; S38-S309 CarbonylContact O-C 3.58Å; S38-S309 WeakPolarHBondContact O-CA 3.27Å; S38-S309 PolarHBondContact O-OG 3.35Å; S38-K310 PolarHBondContact O-N 3.01Å; S38-K310 VanDerWaalsContact OG-CB 3.29Å; S38-K310 WeakPolarHBondContact OG-CB 2.99Å; S38-K310 WeakPolarHBondContact OG-CD 3.43Å
39T91Very high87.9Confident87 Ų8772.1 Ų72.153%0.53436%0.357SS..BIsolated β-bridgetrans-104.1154.7172.254.40000110.7R37 T308R37-T39 PolarHBondContact O-N 3.4Å; T39-T308 CarbonylContact C-O 3.54Å; T39-T308 VanDerWaalsContact CA-O 3.27Å; T39-T308 WeakPolarHBondContact CA-O 3.38Å
40I94.3Very high88.7Confident24 Ų2466.5 Ų66.512%0.12333%0.329CS..  trans-71.1150170.768.1-175.1000110.2L43 K46 W130 T308I40-L43 HydrophobicContact CD1-CD2 3.99Å; I40-L43 HydrophobicContact CG1-CD2 3.61Å; I40-K46 HydrophobicContact CD1-CG 4.31Å; I40-W130 HydrophobicContact CD1-CD2 4.19Å; I40-W130 HydrophobicContact CD1-CH2 4.29Å; I40-W130 HydrophobicContact CD1-CZ2 3.35Å; I40-W130 VanDerWaalsContact CD1-NE1 3.28Å; I40-W130 HydrophobicContact CG2-CH2 4.47Å; I40-W130 HydrophobicContact CG2-CZ2 4.09Å; I40-T308 WeakPolarHBondContact CG1-O 3.46Å; I40-T308 PolarHBondContact N-O 3.48Å
41G92.2Very high89.4Confident53 Ų5363 Ų6355%0.54631%0.311SS..SBendtrans-81.6179.2170.900000112.9L43G41-L43 VanDerWaalsContact C-N 3.31Å; G41-L43 PolarHBondContact O-N 3.45Å
42N93Very high90.2Very high122 Ų12260.9 Ų60.965%0.65231%0.306SS*.  trans5537171.4-61.3-31.2000115.3T44 K45 K46N42-T44 PolarHBondContact O-N 3.17Å; N42-K45 PolarHBondContact O-N 2.83Å; N42-K46 WeakPolarHBondContact O-CG 3.21Å
43L94.7Very high91.2Very high40 Ų4058 Ų5821%0.20929%0.292CS..G310 helixtrans-50.6-32.7179.1-64.2-176.7000113.1I40 G41 K45 K46 M70 T308I40-L43 HydrophobicContact CD1-CD2 3.99Å; I40-L43 HydrophobicContact CG1-CD2 3.61Å; G41-L43 VanDerWaalsContact C-N 3.31Å; G41-L43 PolarHBondContact O-N 3.45Å; L43-K45 PolarHBondContact O-N 3.12Å; L43-K45 VanDerWaalsContact O-N 3.13Å; L43-K46 PolarHBondContact O-N 2.86Å; L43-M70 HydrophobicContact CB-CG 3.97Å; L43-M70 HydrophobicContact CD2-CE 4.22Å; L43-M70 HydrophobicContact CD2-SD 4.28Å; L43-T308 HydrophobicContact CD2-CG2 4.21Å
44T93.5Very high91.9Very high73 Ų7354.5 Ų54.545%0.44828%0.278SS..G310 helixtrans-67.4-9.417958.10000115.7N42 G69 K99N42-T44 PolarHBondContact O-N 3.17Å; T44-G69 WeakPolarHBondContact CA-O 3.2Å; T44-K99 PolarHBondContact O-NZ 3.34Å
45K96.1Very high92.4Very high114 Ų11451.5 Ų51.550%0.49627%0.265SS..G310 helixtrans-113.5-1.1173.1-64.8-170.5176.7-174.90113.2N42 L43 S127 E128N42-K45 PolarHBondContact O-N 2.83Å; L43-K45 PolarHBondContact O-N 3.12Å; L43-K45 VanDerWaalsContact O-N 3.13Å; K45-S127 WeakPolarHBondContact O-CA 3.36Å; K45-S127 VanDerWaalsContact O-CB 3.31Å; K45-S127 WeakPolarHBondContact O-CB 3.33Å; K45-E128 PolarHBondContact O-N 3.47Å
46K97.8Very high93.1Very high30 Ų3048.7 Ų48.713%0.1326%0.261CS..EExtended strand (participates in β ladder)trans-101.491.8-176.1-67-69.6-172.6175.30108.4I40 N42 L43 M70 E128 W130I40-K46 HydrophobicContact CD1-CG 4.31Å; N42-K46 WeakPolarHBondContact O-CG 3.21Å; L43-K46 PolarHBondContact O-N 2.86Å; K46-M70 HydrophobicContact CB-CE 3.77Å; K46-M70 WeakPolarHBondContact O-CE 3.5Å; K46-E128 HydrophobicContact CD-CG 4.22Å; K46-E128 VanDerWaalsContact CD-OE1 3.27Å; K46-E128 WeakPolarHBondContact CD-OE1 3.41Å; K46-E128 WeakPolarHBondContact CE-OE1 3.27Å; K46-E128 IonicContact NZ-OE1 2.61Å; K46-E128 PolarHBondContact NZ-OE1 3.33Å; K46-W130 HydrophobicContact CB-CB 3.64Å; K46-W130 HydrophobicContact CB-CG 3.81Å; K46-W130 HydrophobicContact CD-CB 3.71Å; K46-W130 HydrophobicContact CD-CD2 3.69Å; K46-W130 HydrophobicContact CD-CE3 3.78Å; K46-W130 HydrophobicContact CD-CG 3.67Å; K46-W130 HydrophobicContact CG-CB 4.27Å; K46-W130 HydrophobicContact CG-CG 4.19Å
47A98.3Very high94.2Very high0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-74.8148.2-17600000112.3P71 F73 L124 E128 W130 A131A47-P71 CarbonylContact C-O 3.45Å; A47-P71 WeakPolarHBondContact CA-O 3.43Å; A47-P71 HydrophobicContact CB-CB 3.83Å; A47-P71 HydrophobicContact CB-CG 4.25Å; A47-F73 HydrophobicContact CB-CE2 4.24Å; A47-L124 HydrophobicContact CB-CD2 3.54Å; A47-E128 VanDerWaalsContact CB-O 3.28Å; A47-E128 WeakPolarHBondContact CB-O 3.34Å; A47-E128 PolarHBondContact N-O 3.39Å; A47-W130 WeakPolarHBondContact O-CA 3.37Å; A47-W130 WeakPolarHBondContact O-CB 3.27Å; A47-W130 PolarHBondContact O-N 2.88Å; A47-A131 PolarHBondContact O-N 2.86Å; A47-A131 VanDerWaalsContact O-N 3.14Å
48V98.7Very high95.1Very high0 Ų033.8 Ų33.80%021%0.206CC..EExtended strand (participates in β ladder)trans-122129.5178.2-169.50000109.6I50 T65 M70 P71 T72 F73 A131 V133 I307V48-I50 HydrophobicContact CG1-CD1 4.06Å; V48-I50 HydrophobicContact CG1-CG1 3.62Å; V48-T65 HydrophobicContact CB-CG2 4.4Å; V48-T65 HydrophobicContact CG1-CG2 4.36Å; V48-T65 HydrophobicContact CG2-CG2 4.1Å; V48-M70 HydrophobicContact CG2-CB 4.34Å; V48-M70 HydrophobicContact CG2-CE 3.6Å; V48-M70 HydrophobicContact CG2-SD 4.11Å; V48-P71 PolarHBondContact N-O 3.24Å; V48-T72 WeakPolarHBondContact O-CA 3.45Å; V48-F73 PolarHBondContact O-N 3.39Å; V48-A131 CarbonylContact C-O 3.43Å; V48-A131 WeakPolarHBondContact CA-O 3.36Å; V48-A131 HydrophobicContact CG1-CB 4.11Å; V48-A131 HydrophobicContact CG2-CB 4.35Å; V48-V133 HydrophobicContact CG1-CG2 3.92Å; V48-I307 HydrophobicContact CG1-CD1 4.15Å; V48-I307 HydrophobicContact CG2-CG2 4.16Å
49F98.9Very high95.6Very high0 Ų034 Ų340%020%0.201CC..EExtended strand (participates in β ladder)trans-107124.8168.8-175.5-95.6000109.7T51 F73 A75 L103 L105 A116 V120 L129 A131 L132 V133 V167 F171F49-T51 HydrophobicContact CD1-CG2 4.2Å; F49-T51 HydrophobicContact CE1-CG2 3.62Å; F49-F73 WeakPolarHBondContact CA-O 3.39Å; F49-F73 HydrophobicContact CB-CB 4.42Å; F49-F73 HydrophobicContact CD2-CB 3.5Å; F49-F73 HydrophobicContact CD2-CG 4.38Å; F49-F73 HydrophobicContact CE2-CB 4.24Å; F49-F73 HydrophobicContact CG-CB 4.38Å; F49-A75 HydrophobicContact CE2-CB 4.28Å; F49-A75 HydrophobicContact CZ-CB 3.93Å; F49-L103 HydrophobicContact CE2-CD1 4.29Å; F49-L103 HydrophobicContact CE2-CD2 4.23Å; F49-L105 HydrophobicContact CE1-CD2 4.1Å; F49-L105 HydrophobicContact CZ-CD2 3.8Å; F49-A116 HydrophobicContact CE2-CB 4.34Å; F49-A116 HydrophobicContact CZ-CB 4.04Å; F49-V120 HydrophobicContact CD2-CG2 3.44Å; F49-V120 VanDerWaalsContact CD2-CG2 3.44Å; F49-V120 HydrophobicContact CE2-CG2 3.7Å; F49-V120 HydrophobicContact CG-CG2 4.47Å; F49-L129 HydrophobicContact CB-CD1 3.83Å; F49-A131 PolarHBondContact N-O 3.23Å; F49-L132 HydrophobicContact CB-CD1 4.37Å; F49-L132 HydrophobicContact CD1-CD1 3.52Å; F49-L132 HydrophobicContact CE1-CD1 4.31Å; F49-L132 HydrophobicContact CG-CD1 4.39Å; F49-V133 PolarHBondContact O-N 2.95Å; F49-V167 HydrophobicContact CE1-CG1 4.26Å; F49-F171 HydrophobicContact CD1-CE1 4.13Å; F49-F171 HydrophobicContact CD1-CE2 4.37Å; F49-F171 HydrophobicContact CD1-CZ 4.01Å; F49-F171 HydrophobicContact CD2-CE1 4.03Å; F49-F171 HydrophobicContact CD2-CZ 4.04Å; F49-F171 HydrophobicContact CE1-CE1 4.29Å; F49-F171 AromaticContact CE1-CE2 3.87Å; F49-F171 HydrophobicContact CE1-CE2 3.87Å; F49-F171 AromaticContact CE1-CZ 3.69Å; F49-F171 HydrophobicContact CE1-CZ 3.69Å; F49-F171 HydrophobicContact CE2-CE1 4.23Å; F49-F171 AromaticContact CE2-CZ 3.77Å; F49-F171 HydrophobicContact CE2-CZ 3.77Å; F49-F171 AromaticContact CG-CE1 3.98Å; F49-F171 HydrophobicContact CG-CE1 3.98Å; F49-F171 HydrophobicContact CG-CZ 4.15Å; F49-F171 HydrophobicContact CZ-CE1 4.33Å; F49-F171 HydrophobicContact CZ-CE2 4.03Å; F49-F171 AromaticContact CZ-CZ 3.56Å; F49-F171 HydrophobicContact CZ-CZ 3.56Å
50I98.9Very high95.8Very high0 Ų032.9 Ų32.90%019%0.192CC..EExtended strand (participates in β ladder)trans-125.6125.3-173.4-49.4167.3000108.8V48 C53 L61 A62 T65 T72 F73 A75 V133V48-I50 HydrophobicContact CG1-CD1 4.06Å; V48-I50 HydrophobicContact CG1-CG1 3.62Å; I50-C53 WeakPolarHBondContact CG2-SG 3.29Å; I50-C53 PolarHBondContact O-SG 3.19Å; I50-C53 VanDerWaalsContact O-SG 3.36Å; I50-L61 HydrophobicContact CD1-CB 4.31Å; I50-L61 HydrophobicContact CD1-CD2 4.04Å; I50-L61 HydrophobicContact CD1-CG 3.81Å; I50-L61 HydrophobicContact CG1-CD2 4.34Å; I50-L61 HydrophobicContact CG2-CD2 4.26Å; I50-A62 HydrophobicContact CD1-CB 4.08Å; I50-T65 HydrophobicContact CD1-CG2 4.37Å; I50-T72 HydrophobicContact CD1-CG2 4.12Å; I50-F73 PolarHBondContact N-O 3.44Å; I50-A75 WeakPolarHBondContact O-CB 3.46Å; I50-A75 PolarHBondContact O-N 3.37Å; I50-V133 HydrophobicContact CB-CB 4.34Å; I50-V133 HydrophobicContact CG1-CB 4.15Å; I50-V133 HydrophobicContact CG1-CG2 4.26Å; I50-V133 HydrophobicContact CG2-CB 4.11Å; I50-V133 HydrophobicContact CG2-CG1 4.21Å
51T98.8Very high96Very high1 Ų131.8 Ų31.81%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-93.8151.117466.70000112.2F49 L105 I107 V133 N135 A136 V167F49-T51 HydrophobicContact CD1-CG2 4.2Å; F49-T51 HydrophobicContact CE1-CG2 3.62Å; T51-L105 HydrophobicContact CG2-CD2 3.91Å; T51-I107 HydrophobicContact CG2-CG2 4.21Å; T51-V133 PolarHBondContact N-O 3.01Å; T51-V133 PolarHBondContact OG1-O 3.27Å; T51-N135 VanDerWaalsContact O-CB 3.25Å; T51-N135 WeakPolarHBondContact O-CB 3.39Å; T51-N135 PolarHBondContact O-ND2 3.44Å; T51-N135 PolarHBondContact OG1-N 3.02Å; T51-A136 PolarHBondContact O-N 3.47Å; T51-A136 WeakPolarHBondContact OG1-CB 3.49Å; T51-A136 PolarHBondContact OG1-N 3.2Å; T51-A136 VanDerWaalsContact OG1-N 3.11Å; T51-V167 HydrophobicContact CG2-CG1 4.04Å; T51-V167 HydrophobicContact CG2-CG2 4.37Å
52G97.7Very high96.2Very high18 Ų1829.3 Ų29.319%0.18616%0.16CC..  trans71.847176.600000112.9A75 N135G52-A75 PolarHBondContact N-O 3.35Å; G52-N135 PolarHBondContact O-ND2 3.31Å
53C97.7Very high96.2Very high0 Ų025.2 Ų25.20%014%0.138CC..  trans-89.43.9-178.1-67.40000114.5I50 S55 R59 A74 A75 C76 L85I50-C53 WeakPolarHBondContact CG2-SG 3.29Å; I50-C53 PolarHBondContact O-SG 3.19Å; I50-C53 VanDerWaalsContact O-SG 3.36Å; C53-S55 PolarHBondContact O-N 2.83Å; C53-R59 WeakPolarHBondContact O-CB 3.28Å; C53-A74 HydrophobicContact CB-CB 4.05Å; C53-A75 WeakPolarHBondContact CB-O 3.31Å; C53-A75 PolarHBondContact N-O 2.8Å; C53-C76 VanDerWaalsContact C-SG 3.52Å; C53-L85 HydrophobicContact CB-CD2 3.78Å
54D95.2Very high96.1Very high34 Ų3427.7 Ų27.718%0.18215%0.145CC..SBendtrans-55.2-43177.4-56.5-109000110.7R59 C76 K77 T78D54-R59 PolarHBondContact O-NH1 3.45Å; D54-C76 VanDerWaalsContact OD2-CA 3.26Å; D54-C76 WeakPolarHBondContact OD2-CA 3Å; D54-K77 PolarHBondContact OD1-N 2.79Å; D54-K77 PolarHBondContact OD2-N 3.3Å; D54-T78 WeakPolarHBondContact OD1-CB 3.32Å; D54-T78 PolarHBondContact OD1-N 3.47Å; D54-T78 PolarHBondContact OD1-OG1 3.29Å
55S92.3Very high96.2Very high37 Ų3724.3 Ų24.326%0.25912%0.124SC..SBendtrans-156.4-176.7-176.767.90000113.2C53 R59 D236C53-S55 PolarHBondContact O-N 2.83Å; S55-R59 PolarHBondContact O-N 3.33Å; S55-D236 WeakPolarHBondContact CB-OD2 3.25Å; S55-D236 WeakPolarHBondContact OG-CB 3.26Å; S55-D236 PolarHBondContact OG-OD2 2.85Å; S55-D236 VanDerWaalsContact OG-OD2 3.11Å
56G91.7Very high96.1Very high21 Ų2119.4 Ų19.422%0.21610%0.104CC..Hα-helixtrans59-141.7172.600000113.9G58 R59 L60G56-G58 PolarHBondContact O-N 3.27Å; G56-R59 PolarHBondContact O-N 3Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 2.95Å; G56-L60 VanDerWaalsContact O-N 3.11Å
57F95.1Very high95.8Very high22 Ų2221.5 Ų21.510%0.09613%0.127CC..Hα-helixtrans-64.5-40.2-172.8-54.8-53.4000113.7R59 L60 L61 M185 F233 T235 T296 V299 Y303F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.4Å; F57-L60 PolarHBondContact O-N 3.34Å; F57-L61 WeakPolarHBondContact O-CB 3.38Å; F57-L61 PolarHBondContact O-N 3.47Å; F57-M185 HydrophobicContact CD2-CE 3.98Å; F57-M185 HydrophobicContact CE2-CE 4.5Å; F57-F233 HydrophobicContact CE1-CB 4.24Å; F57-F233 HydrophobicContact CE1-CG 4.41Å; F57-F233 HydrophobicContact CZ-CB 3.59Å; F57-F233 HydrophobicContact CZ-CD2 4.27Å; F57-F233 AromaticContact CZ-CG 3.91Å; F57-F233 HydrophobicContact CZ-CG 3.91Å; F57-T235 HydrophobicContact CD1-CG2 4.49Å; F57-T235 HydrophobicContact CD2-CG2 4.38Å; F57-T235 HydrophobicContact CE1-CG2 4.09Å; F57-T235 HydrophobicContact CE2-CG2 3.98Å; F57-T235 HydrophobicContact CZ-CG2 3.84Å; F57-T296 HydrophobicContact CE1-CG2 3.93Å; F57-V299 HydrophobicContact CB-CG1 4.42Å; F57-V299 HydrophobicContact CD1-CB 3.66Å; F57-V299 HydrophobicContact CD1-CG1 3.74Å; F57-V299 HydrophobicContact CD1-CG2 4.26Å; F57-V299 HydrophobicContact CD2-CG1 4.02Å; F57-V299 HydrophobicContact CE1-CB 3.48Å; F57-V299 VanDerWaalsContact CE1-CB 3.48Å; F57-V299 HydrophobicContact CE1-CG1 3.87Å; F57-V299 HydrophobicContact CE1-CG2 3.57Å; F57-V299 HydrophobicContact CE2-CG1 4.13Å; F57-V299 HydrophobicContact CE2-CG2 4.37Å; F57-V299 HydrophobicContact CG-CB 4.27Å; F57-V299 HydrophobicContact CG-CG1 3.81Å; F57-V299 HydrophobicContact CZ-CB 3.93Å; F57-V299 HydrophobicContact CZ-CG1 4.04Å; F57-V299 HydrophobicContact CZ-CG2 3.62Å; F57-Y303 HydrophobicContact CB-CE2 3.95Å
58G96.8Very high95.5Very high0 Ų023.9 Ų23.90%014%0.139CC..Hα-helixtrans-60.6-44.2179.100000111.5G56 L61 A62 N135G56-G58 PolarHBondContact O-N 3.27Å; G58-L61 PolarHBondContact O-N 2.83Å; G58-A62 WeakPolarHBondContact O-CB 3.2Å; G58-A62 PolarHBondContact O-N 2.95Å; G58-N135 VanDerWaalsContact CA-ND2 3.34Å; G58-N135 WeakPolarHBondContact CA-ND2 3.28Å; G58-N135 PolarHBondContact N-ND2 3.4Å
59R95.9Very high95.2Very high39 Ų3925.4 Ų25.415%0.14716%0.155CC..Hα-helixtrans-61.6-50.5175.6-167-177.5-173.297.72.2112.1C53 D54 S55 G56 F57 L61 A62 L63 S84 L85C53-R59 WeakPolarHBondContact O-CB 3.28Å; D54-R59 PolarHBondContact O-NH1 3.45Å; S55-R59 PolarHBondContact O-N 3.33Å; G56-R59 PolarHBondContact O-N 3Å; F57-R59 VanDerWaalsContact C-N 3.33Å; F57-R59 PolarHBondContact O-N 3.4Å; R59-L61 VanDerWaalsContact C-N 3.28Å; R59-L61 PolarHBondContact O-N 2.76Å; R59-A62 PolarHBondContact O-N 2.8Å; R59-L63 WeakPolarHBondContact O-CG 3.34Å; R59-L63 PolarHBondContact O-N 2.9Å; R59-L63 VanDerWaalsContact O-N 3.17Å; R59-S84 VanDerWaalsContact NH2-C 3.27Å; R59-S84 PolarHBondContact NH2-O 3.31Å; R59-S84 PolarHBondContact NH2-OG 3.48Å; R59-L85 HydrophobicContact CG-CD1 4.06Å
60L95.2Very high95Very high63 Ų6325.5 Ų25.533%0.3316%0.156SC..Hα-helixtrans-61.9-39.2179.8-67.5174.8000111.7G56 F57 L63 R64 T296 T300G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 2.95Å; G56-L60 VanDerWaalsContact O-N 3.11Å; F57-L60 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 3.45Å; L60-R64 WeakPolarHBondContact O-CB 3.13Å; L60-R64 PolarHBondContact O-N 3.43Å; L60-T296 WeakPolarHBondContact CD1-OG1 3.44Å; L60-T300 HydrophobicContact CB-CG2 4.2Å
61L97.4Very high94.8Very high0 Ų025.7 Ų25.70%016%0.156CC..Hα-helixtrans-65.8-42.6176.9-176.660.6000111.9I50 F57 G58 R59 L63 R64 T65 V133 T300 Y303 I307I50-L61 HydrophobicContact CD1-CB 4.31Å; I50-L61 HydrophobicContact CD1-CD2 4.04Å; I50-L61 HydrophobicContact CD1-CG 3.81Å; I50-L61 HydrophobicContact CG1-CD2 4.34Å; I50-L61 HydrophobicContact CG2-CD2 4.26Å; F57-L61 WeakPolarHBondContact O-CB 3.38Å; F57-L61 PolarHBondContact O-N 3.47Å; G58-L61 PolarHBondContact O-N 2.83Å; R59-L61 VanDerWaalsContact C-N 3.28Å; R59-L61 PolarHBondContact O-N 2.76Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.87Å; L61-R64 CarbonylContact O-C 3.55Å; L61-R64 WeakPolarHBondContact O-CA 3.43Å; L61-R64 WeakPolarHBondContact O-CB 3.44Å; L61-R64 PolarHBondContact O-N 2.81Å; L61-T65 HydrophobicContact CD1-CG2 4.02Å; L61-T65 HydrophobicContact CG-CG2 4.24Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 3.25Å; L61-T65 PolarHBondContact O-OG1 3.49Å; L61-V133 HydrophobicContact CD2-CB 4.28Å; L61-V133 HydrophobicContact CD2-CG1 3.75Å; L61-V133 HydrophobicContact CD2-CG2 4.01Å; L61-T300 HydrophobicContact CB-CG2 4.38Å; L61-T300 HydrophobicContact CD1-CG2 4.33Å; L61-Y303 HydrophobicContact CD1-CG 4.33Å; L61-Y303 HydrophobicContact CD2-CD1 3.92Å; L61-Y303 HydrophobicContact CD2-CD2 3.98Å; L61-Y303 HydrophobicContact CD2-CE1 4.43Å; L61-Y303 HydrophobicContact CD2-CE2 4.44Å; L61-Y303 HydrophobicContact CD2-CG 3.67Å; L61-I307 HydrophobicContact CD1-CD1 3.97Å; L61-I307 HydrophobicContact CD2-CD1 4.2Å; L61-I307 HydrophobicContact CG-CD1 4.45Å
62A96.2Very high94.8Very high1 Ų125.7 Ų25.71%0.00816%0.157CC..Hα-helixtrans-58.6-44.3176.600000111.8I50 G58 R59 R64 T65 V66 T72 A74 L85I50-A62 HydrophobicContact CD1-CB 4.08Å; G58-A62 WeakPolarHBondContact O-CB 3.2Å; G58-A62 PolarHBondContact O-N 2.95Å; R59-A62 PolarHBondContact O-N 2.8Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.84Å; A62-T65 PolarHBondContact O-OG1 3.02Å; A62-V66 VanDerWaalsContact O-CG2 3.26Å; A62-V66 WeakPolarHBondContact O-CG2 3.47Å; A62-V66 PolarHBondContact O-N 2.92Å; A62-V66 VanDerWaalsContact O-N 3.14Å; A62-T72 HydrophobicContact CB-CG2 4.36Å; A62-A74 HydrophobicContact CB-CB 3.77Å; A62-L85 HydrophobicContact CB-CD2 4.36Å
63L93.9Very high94.8Very high36 Ų3624.9 Ų24.919%0.18815%0.148CC..Hα-helixtrans-61.7-40.4174.4-59.8176.2000111.3R59 L60 L61 A67 L85 L88 L89 I92R59-L63 WeakPolarHBondContact O-CG 3.34Å; R59-L63 PolarHBondContact O-N 2.9Å; R59-L63 VanDerWaalsContact O-N 3.17Å; L60-L63 PolarHBondContact O-N 3.45Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.87Å; L63-A67 WeakPolarHBondContact O-CB 3.1Å; L63-A67 PolarHBondContact O-N 3.02Å; L63-L85 HydrophobicContact CD2-CD1 3.97Å; L63-L88 HydrophobicContact CD1-CD2 3.64Å; L63-L88 HydrophobicContact CD1-CG 4.42Å; L63-L88 HydrophobicContact CD2-CD2 3.92Å; L63-L88 HydrophobicContact CD2-CG 4.01Å; L63-L88 HydrophobicContact CG-CD2 4.36Å; L63-L89 HydrophobicContact CD2-CD2 3.71Å; L63-L89 HydrophobicContact CD2-CG 4.18Å; L63-I92 HydrophobicContact CD2-CD1 3.83Å
64R93.3Very high94.8Very high92 Ų9224.9 Ų24.935%0.34715%0.148SC..Hα-helixtrans-67.9-44.7-178.9-169.666.4175.9165.28.3112.6L60 L61 A62 V66 A67 L68 T300 E304L60-R64 WeakPolarHBondContact O-CB 3.13Å; L60-R64 PolarHBondContact O-N 3.43Å; L61-R64 CarbonylContact O-C 3.55Å; L61-R64 WeakPolarHBondContact O-CA 3.43Å; L61-R64 WeakPolarHBondContact O-CB 3.44Å; L61-R64 PolarHBondContact O-N 2.81Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 2.84Å; R64-V66 VanDerWaalsContact C-N 3.34Å; R64-A67 PolarHBondContact O-N 3.22Å; R64-L68 HydrophobicContact CG-CD1 4.46Å; R64-L68 WeakPolarHBondContact O-CG 3.29Å; R64-L68 PolarHBondContact O-N 3.32Å; R64-T300 HydrophobicContact CB-CG2 4.08Å; R64-T300 HydrophobicContact CG-CG2 4.32Å; R64-E304 IonicContact CZ-OE2 3.7Å; R64-E304 IonicContact NE-OE2 3.81Å; R64-E304 PolarHBondContact NE-OE2 2.97Å; R64-E304 IonicContact NH2-OE1 2.86Å; R64-E304 PolarHBondContact NH2-OE1 2.91Å; R64-E304 IonicContact NH2-OE2 3.73Å; R64-E304 PolarHBondContact NH2-OE2 3.2Å
65T94.8Very high95Very high2 Ų223.3 Ų23.31%0.01214%0.14CC..Hα-helixtrans-67.2-3717954.70000111.6V48 I50 L61 A62 L68 G69 M70 T72 I307V48-T65 HydrophobicContact CB-CG2 4.4Å; V48-T65 HydrophobicContact CG1-CG2 4.36Å; V48-T65 HydrophobicContact CG2-CG2 4.1Å; I50-T65 HydrophobicContact CD1-CG2 4.37Å; L61-T65 HydrophobicContact CD1-CG2 4.02Å; L61-T65 HydrophobicContact CG-CG2 4.24Å; L61-T65 WeakPolarHBondContact O-CG2 3.35Å; L61-T65 PolarHBondContact O-N 3.25Å; L61-T65 PolarHBondContact O-OG1 3.49Å; A62-T65 PolarHBondContact O-OG1 3.02Å; T65-L68 PolarHBondContact O-N 3.36Å; T65-G69 PolarHBondContact O-N 2.84Å; T65-M70 WeakPolarHBondContact O-CB 3.2Å; T65-M70 PolarHBondContact O-N 2.88Å; T65-T72 WeakPolarHBondContact CB-OG1 3.28Å; T65-T72 WeakPolarHBondContact OG1-CG2 3.48Å; T65-T72 PolarHBondContact OG1-OG1 3Å; T65-I307 HydrophobicContact CG2-CD1 4.07Å
66V93.5Very high95.3Very high11 Ų1121.5 Ų21.57%0.06713%0.127CC..Hα-helixtrans-63.4-43.5171.3173.30000111.1A62 R64 L68 G69 T72 L89 A100A62-V66 VanDerWaalsContact O-CG2 3.26Å; A62-V66 WeakPolarHBondContact O-CG2 3.47Å; A62-V66 PolarHBondContact O-N 2.92Å; A62-V66 VanDerWaalsContact O-N 3.14Å; R64-V66 VanDerWaalsContact C-N 3.34Å; V66-L68 PolarHBondContact O-N 3.24Å; V66-G69 WeakPolarHBondContact O-CA 3.3Å; V66-G69 PolarHBondContact O-N 2.99Å; V66-T72 HydrophobicContact CG2-CG2 4.05Å; V66-L89 HydrophobicContact CB-CD2 4.1Å; V66-L89 HydrophobicContact CG1-CD2 4.06Å; V66-L89 HydrophobicContact CG2-CD2 3.88Å; V66-A100 HydrophobicContact CG1-CB 4.42Å; V66-A100 HydrophobicContact CG2-CB 3.76Å
67A91.5Very high95.5Very high75 Ų7525.5 Ų25.562%0.6214%0.139SC*.Hα-helixtrans-63.6-28.3176.200000113L63 R64 G69L63-A67 WeakPolarHBondContact O-CB 3.1Å; L63-A67 PolarHBondContact O-N 3.02Å; R64-A67 PolarHBondContact O-N 3.22Å; A67-G69 PolarHBondContact O-N 3.22Å
68L91.7Very high95.6Very high50 Ų5027.5 Ų27.526%0.26215%0.153SC..THydrogen-bonded Turntrans-78-1172.1-68168.8000113.3R64 T65 V66 M70 E304 T308R64-L68 HydrophobicContact CG-CD1 4.46Å; R64-L68 WeakPolarHBondContact O-CG 3.29Å; R64-L68 PolarHBondContact O-N 3.32Å; T65-L68 PolarHBondContact O-N 3.36Å; V66-L68 PolarHBondContact O-N 3.24Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 HydrophobicContact CB-CG 4.11Å; L68-M70 HydrophobicContact CB-SD 4.45Å; L68-M70 PolarHBondContact O-N 3.21Å; L68-E304 HydrophobicContact CD1-CG 3.93Å; L68-T308 HydrophobicContact CD1-CG2 4.29Å
69G92Very high95.6Very high32 Ų3231.7 Ų31.733%0.3317%0.172SC..THydrogen-bonded Turntrans75.112-178.800000114.2T44 T65 V66 A67T44-G69 WeakPolarHBondContact CA-O 3.2Å; T65-G69 PolarHBondContact O-N 2.84Å; V66-G69 WeakPolarHBondContact O-CA 3.3Å; V66-G69 PolarHBondContact O-N 2.99Å; A67-G69 PolarHBondContact O-N 3.22Å
70M95Very high95.6Very high2 Ų237.6 Ų37.61%0.0120%0.199CC..  trans-77.9133.2178.7-58.3-176.776.700109.8L43 K46 V48 T65 L68 T72 I307 T308L43-M70 HydrophobicContact CB-CG 3.97Å; L43-M70 HydrophobicContact CD2-CE 4.22Å; L43-M70 HydrophobicContact CD2-SD 4.28Å; K46-M70 HydrophobicContact CB-CE 3.77Å; K46-M70 WeakPolarHBondContact O-CE 3.5Å; V48-M70 HydrophobicContact CG2-CB 4.34Å; V48-M70 HydrophobicContact CG2-CE 3.6Å; V48-M70 HydrophobicContact CG2-SD 4.11Å; T65-M70 WeakPolarHBondContact O-CB 3.2Å; T65-M70 PolarHBondContact O-N 2.88Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 HydrophobicContact CB-CG 4.11Å; L68-M70 HydrophobicContact CB-SD 4.45Å; L68-M70 PolarHBondContact O-N 3.21Å; M70-T72 PolarHBondContact O-N 2.76Å; M70-T72 VanDerWaalsContact O-N 3.14Å; M70-T72 PolarHBondContact O-OG1 2.58Å; M70-I307 HydrophobicContact CE-CG2 3.63Å; M70-I307 HydrophobicContact SD-CG2 3.99Å; M70-T308 HydrophobicContact SD-CG2 4.33Å
71P96Very high95.7Very high3 Ų334.8 Ų34.82%0.01919%0.186CC..  trans-55.3122.1169.6-15.224.3000109.8A47 V48 K99 W101 S127A47-P71 CarbonylContact C-O 3.45Å; A47-P71 WeakPolarHBondContact CA-O 3.43Å; A47-P71 HydrophobicContact CB-CB 3.83Å; A47-P71 HydrophobicContact CB-CG 4.25Å; V48-P71 PolarHBondContact N-O 3.24Å; P71-K99 CarbonylContact C-O 3.57Å; P71-K99 VanDerWaalsContact CA-O 3.32Å; P71-K99 WeakPolarHBondContact CA-O 3.42Å; P71-K99 HydrophobicContact CB-CB 4.43Å; P71-K99 HydrophobicContact CG-CD 4.35Å; P71-W101 HydrophobicContact CB-CZ3 4.04Å; P71-S127 WeakPolarHBondContact CG-OG 3.26Å
72T97.3Very high95.7Very high2 Ų235 Ų351%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-125.4124.8-169.1-61.60000110.4V48 I50 A62 T65 V66 M70 K99 A100 W101V48-T72 WeakPolarHBondContact O-CA 3.45Å; I50-T72 HydrophobicContact CD1-CG2 4.12Å; A62-T72 HydrophobicContact CB-CG2 4.36Å; T65-T72 WeakPolarHBondContact CB-OG1 3.28Å; T65-T72 WeakPolarHBondContact OG1-CG2 3.48Å; T65-T72 PolarHBondContact OG1-OG1 3Å; V66-T72 HydrophobicContact CG2-CG2 4.05Å; M70-T72 PolarHBondContact O-N 2.76Å; M70-T72 VanDerWaalsContact O-N 3.14Å; M70-T72 PolarHBondContact O-OG1 2.58Å; T72-K99 PolarHBondContact N-O 3.38Å; T72-A100 WeakPolarHBondContact O-CA 3.41Å; T72-W101 PolarHBondContact O-N 3.14Å
73F98.4Very high95.7Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-107.2104170.9-63.3-87.3000108.2A47 V48 F49 I50 W101 L103 F119 V120 N123 L124A47-F73 HydrophobicContact CB-CE2 4.24Å; V48-F73 PolarHBondContact O-N 3.39Å; F49-F73 WeakPolarHBondContact CA-O 3.39Å; F49-F73 HydrophobicContact CB-CB 4.42Å; F49-F73 HydrophobicContact CD2-CB 3.5Å; F49-F73 HydrophobicContact CD2-CG 4.38Å; F49-F73 HydrophobicContact CE2-CB 4.24Å; F49-F73 HydrophobicContact CG-CB 4.38Å; I50-F73 PolarHBondContact N-O 3.44Å; F73-W101 CarbonylContact C-O 3.59Å; F73-W101 WeakPolarHBondContact CA-O 3.38Å; F73-W101 HydrophobicContact CD1-CB 3.74Å; F73-W101 HydrophobicContact CD1-CD2 4.01Å; F73-W101 AromaticContact CD1-CE3 3.77Å; F73-W101 HydrophobicContact CD1-CE3 3.77Å; F73-W101 HydrophobicContact CD1-CG 4.03Å; F73-W101 HydrophobicContact CD2-CE3 4.28Å; F73-W101 HydrophobicContact CE1-CB 4.06Å; F73-W101 AromaticContact CE1-CD2 3.5Å; F73-W101 HydrophobicContact CE1-CD2 3.5Å; F73-W101 AromaticContact CE1-CE3 3.35Å; F73-W101 HydrophobicContact CE1-CE3 3.35Å; F73-W101 AromaticContact CE1-CG 3.82Å; F73-W101 HydrophobicContact CE1-CG 3.82Å; F73-W101 AromaticContact CE1-CZ3 3.99Å; F73-W101 HydrophobicContact CE1-CZ3 3.99Å; F73-W101 AromaticContact CE2-CE3 3.93Å; F73-W101 HydrophobicContact CE2-CE3 3.93Å; F73-W101 AromaticContact CE2-CZ3 3.93Å; F73-W101 HydrophobicContact CE2-CZ3 3.93Å; F73-W101 HydrophobicContact CG-CE3 4.2Å; F73-W101 AromaticContact CZ-CD2 3.98Å; F73-W101 HydrophobicContact CZ-CD2 3.98Å; F73-W101 AromaticContact CZ-CE3 3.45Å; F73-W101 HydrophobicContact CZ-CE3 3.45Å; F73-W101 VanDerWaalsContact CZ-CE3 3.45Å; F73-W101 HydrophobicContact CZ-CH2 4.21Å; F73-W101 AromaticContact CZ-CZ3 3.58Å; F73-W101 HydrophobicContact CZ-CZ3 3.58Å; F73-L103 HydrophobicContact CB-CD2 4.4Å; F73-F119 HydrophobicContact CD1-CD1 4.17Å; F73-F119 AromaticContact CD1-CE1 3.99Å; F73-F119 HydrophobicContact CD1-CE1 3.99Å; F73-F119 HydrophobicContact CE1-CD1 4.23Å; F73-F119 AromaticContact CE1-CE1 4Å; F73-F119 HydrophobicContact CE1-CE1 4Å; F73-V120 HydrophobicContact CB-CG2 4.14Å; F73-V120 HydrophobicContact CD1-CG2 3.78Å; F73-V120 HydrophobicContact CD2-CG1 4.2Å; F73-V120 HydrophobicContact CD2-CG2 4.22Å; F73-V120 HydrophobicContact CE1-CG2 4.23Å; F73-V120 HydrophobicContact CE2-CG1 4.06Å; F73-V120 HydrophobicContact CG-CG2 3.79Å; F73-V120 HydrophobicContact CZ-CG1 4.34Å; F73-N123 HydrophobicContact CE1-CB 3.7Å; F73-N123 HydrophobicContact CZ-CB 3.87Å; F73-L124 HydrophobicContact CE2-CD2 4.11Å
74A98.4Very high95.8Very high1 Ų141 Ų411%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-101.3110.2-177.900000110.2C53 A62 L85 W101 V102 L103C53-A74 HydrophobicContact CB-CB 4.05Å; A62-A74 HydrophobicContact CB-CB 3.77Å; A74-L85 HydrophobicContact CB-CD2 3.65Å; A74-W101 PolarHBondContact N-O 2.61Å; A74-V102 VanDerWaalsContact O-CA 3.31Å; A74-V102 WeakPolarHBondContact O-CA 3.25Å; A74-V102 WeakPolarHBondContact O-CG1 3.46Å; A74-L103 PolarHBondContact O-N 2.91Å; A74-L103 VanDerWaalsContact O-N 3.11Å
75A98.8Very high95.9Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-97.9120.9-176.800000111.1F49 I50 G52 C53 L103 L105F49-A75 HydrophobicContact CE2-CB 4.28Å; F49-A75 HydrophobicContact CZ-CB 3.93Å; I50-A75 WeakPolarHBondContact O-CB 3.46Å; I50-A75 PolarHBondContact O-N 3.37Å; G52-A75 PolarHBondContact N-O 3.35Å; C53-A75 WeakPolarHBondContact CB-O 3.31Å; C53-A75 PolarHBondContact N-O 2.8Å; A75-L103 CarbonylContact C-O 3.6Å; A75-L103 WeakPolarHBondContact CA-O 3.14Å; A75-L103 HydrophobicContact CB-CD2 4.05Å; A75-L103 HydrophobicContact CB-CG 4.16Å; A75-L105 HydrophobicContact CB-CB 3.8Å; A75-L105 HydrophobicContact CB-CD2 3.69Å; A75-L105 HydrophobicContact CB-CG 4.41Å
76C98.6Very high95.8Very high0 Ų041.6 Ų41.60%022%0.224CC..EExtended strand (participates in β ladder)trans-107.4144.9178-60.30000110C53 D54 V82 L103 Q104 L105C53-C76 VanDerWaalsContact C-SG 3.52Å; D54-C76 VanDerWaalsContact OD2-CA 3.26Å; D54-C76 WeakPolarHBondContact OD2-CA 3Å; C76-V82 HydrophobicContact CB-CG2 3.79Å; C76-L103 PolarHBondContact N-O 2.91Å; C76-Q104 CarbonylContact O-C 3.4Å; C76-Q104 VanDerWaalsContact O-CA 3.22Å; C76-Q104 WeakPolarHBondContact O-CA 3.44Å; C76-L105 PolarHBondContact O-N 2.95Å
77K96.8Very high95.7Very high104 Ų10447 Ų4745%0.45225%0.249SC..SBendtrans-68.5-37.8174.3-176.2175.3-178.5175.60111.7D54 Q104 L105D54-K77 PolarHBondContact OD1-N 2.79Å; D54-K77 PolarHBondContact OD2-N 3.3Å; K77-Q104 WeakPolarHBondContact O-CG 3.43Å; K77-Q104 PolarHBondContact O-NE2 3.4Å; K77-L105 WeakPolarHBondContact CA-O 3.31Å
78T96.3Very high95.7Very high64 Ų6446.1 Ų46.139%0.39323%0.234SC..SBendtrans-110.2145.3-171.267.60000112.4D54 K80 G81 V82D54-T78 WeakPolarHBondContact OD1-CB 3.32Å; D54-T78 PolarHBondContact OD1-N 3.47Å; D54-T78 PolarHBondContact OD1-OG1 3.29Å; T78-K80 PolarHBondContact O-N 2.98Å; T78-G81 WeakPolarHBondContact O-CA 3.1Å; T78-G81 PolarHBondContact O-N 3.41Å; T78-G81 PolarHBondContact OG1-N 2.9Å; T78-V82 PolarHBondContact O-N 3.48Å
79E96.7Very high95.5Very high89 Ų8944.4 Ų44.442%0.41622%0.224SC..Hα-helixtrans-58.4-37172.9-179.754.7-153.800111.7G81 V82 Q83E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.13Å; E79-V82 WeakPolarHBondContact O-CB 3.47Å; E79-V82 PolarHBondContact O-N 3.38Å; E79-Q83 WeakPolarHBondContact O-CG 3.32Å; E79-Q83 PolarHBondContact O-N 2.89Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.3Å; E79-Q83 PolarHBondContact OE1-NE2 2.78Å
80K96.5Very high95.2Very high162 Ų16245.8 Ų45.870%0.70423%0.229SC*.Hα-helixtrans-59.3-42.6172.1-176.5179-179.8175.90112T78 S84T78-K80 PolarHBondContact O-N 2.98Å; K80-S84 WeakPolarHBondContact O-CB 3.32Å; K80-S84 PolarHBondContact O-N 2.9Å
81G96.3Very high94.6Very high5 Ų551.3 Ų51.35%0.05226%0.259CS..Hα-helixtrans-61.5-43.4174.500000111.8T78 E79 L85T78-G81 WeakPolarHBondContact O-CA 3.1Å; T78-G81 PolarHBondContact O-N 3.41Å; T78-G81 PolarHBondContact OG1-N 2.9Å; E79-G81 VanDerWaalsContact C-N 3.32Å; E79-G81 PolarHBondContact O-N 3.13Å; G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.38Å; G81-L85 PolarHBondContact O-N 2.86Å
82V97.7Very high93.5Very high3 Ų355.9 Ų55.92%0.01828%0.282CS..Hα-helixtrans-58.7-56.2175.5173.40000111.1C76 T78 E79 S84 L85 K86 V102 Q104C76-V82 HydrophobicContact CB-CG2 3.79Å; T78-V82 PolarHBondContact O-N 3.48Å; E79-V82 WeakPolarHBondContact O-CB 3.47Å; E79-V82 PolarHBondContact O-N 3.38Å; V82-S84 PolarHBondContact O-N 2.78Å; V82-L85 PolarHBondContact O-N 2.96Å; V82-K86 HydrophobicContact CG1-CD 3.98Å; V82-K86 HydrophobicContact CG1-CG 4.45Å; V82-K86 WeakPolarHBondContact O-CB 3.12Å; V82-K86 WeakPolarHBondContact O-CG 3.49Å; V82-K86 PolarHBondContact O-N 2.86Å; V82-V102 HydrophobicContact CB-CG1 4.23Å; V82-V102 HydrophobicContact CG1-CB 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.98Å; V82-V102 HydrophobicContact CG2-CG1 4.35Å; V82-Q104 HydrophobicContact CG2-CB 3.99Å
83Q96.6Very high91.9Very high112 Ų11257.1 Ų57.152%0.52329%0.291SS..Hα-helixtrans-60.7-46.6-176.9-68.6174.32.200111.7E79 L85 K86 Q87E79-Q83 WeakPolarHBondContact O-CG 3.32Å; E79-Q83 PolarHBondContact O-N 2.89Å; E79-Q83 WeakPolarHBondContact OE1-CG 3.3Å; E79-Q83 PolarHBondContact OE1-NE2 2.78Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; Q83-L85 PolarHBondContact O-N 3.05Å; Q83-K86 PolarHBondContact O-N 2.67Å; Q83-Q87 PolarHBondContact O-N 3.39Å
84S95.8Very high90.1Very high51 Ų5161.9 Ų61.936%0.35732%0.322SS..Hα-helixtrans-62.5-40.3179.3177.70000112.4R59 K80 V82 L88R59-S84 VanDerWaalsContact NH2-C 3.27Å; R59-S84 PolarHBondContact NH2-O 3.31Å; R59-S84 PolarHBondContact NH2-OG 3.48Å; K80-S84 WeakPolarHBondContact O-CB 3.32Å; K80-S84 PolarHBondContact O-N 2.9Å; V82-S84 PolarHBondContact O-N 2.78Å; S84-L88 WeakPolarHBondContact O-CB 3.46Å; S84-L88 PolarHBondContact O-N 3.3Å; S84-L88 VanDerWaalsContact O-N 3.15Å
85L95Very high88.3Confident0 Ų070.6 Ų70.60%036%0.359CS..Hα-helixtrans-73.8-37.3179-17755.7000111.9C53 R59 A62 L63 A74 G81 V82 Q83 Q87 L88 L89 V102C53-L85 HydrophobicContact CB-CD2 3.78Å; R59-L85 HydrophobicContact CG-CD1 4.06Å; A62-L85 HydrophobicContact CB-CD2 4.36Å; L63-L85 HydrophobicContact CD2-CD1 3.97Å; A74-L85 HydrophobicContact CB-CD2 3.65Å; G81-L85 VanDerWaalsContact O-CB 3.32Å; G81-L85 WeakPolarHBondContact O-CB 3.38Å; G81-L85 PolarHBondContact O-N 2.86Å; V82-L85 PolarHBondContact O-N 2.96Å; Q83-L85 VanDerWaalsContact C-N 3.35Å; Q83-L85 PolarHBondContact O-N 3.05Å; L85-Q87 PolarHBondContact O-N 3.41Å; L85-L88 PolarHBondContact O-N 2.82Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.2Å; L85-L89 HydrophobicContact CG-CD1 4.04Å; L85-L89 HydrophobicContact CG-CG 4.49Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CG 3.14Å; L85-L89 PolarHBondContact O-N 2.73Å; L85-V102 HydrophobicContact CB-CG1 4.16Å; L85-V102 HydrophobicContact CB-CG2 4.47Å; L85-V102 HydrophobicContact CD2-CG1 4.12Å; L85-V102 HydrophobicContact CD2-CG2 4.28Å; L85-V102 HydrophobicContact CG-CG1 4.32Å; L85-V102 HydrophobicContact CG-CG2 4.04Å
86K93.2Very high86.4Confident107 Ų10772.5 Ų72.547%0.46537%0.373SS..Hα-helixtrans-57.5-48.4172.6-76.5-179.7176.7171.30111.5V82 Q83 L88 L89 S90 V102V82-K86 HydrophobicContact CG1-CD 3.98Å; V82-K86 HydrophobicContact CG1-CG 4.45Å; V82-K86 WeakPolarHBondContact O-CB 3.12Å; V82-K86 WeakPolarHBondContact O-CG 3.49Å; V82-K86 PolarHBondContact O-N 2.86Å; Q83-K86 PolarHBondContact O-N 2.67Å; K86-L88 PolarHBondContact O-N 2.89Å; K86-L89 PolarHBondContact O-N 3.43Å; K86-S90 PolarHBondContact O-N 2.92Å; K86-S90 PolarHBondContact O-OG 3.3Å; K86-V102 HydrophobicContact CD-CB 4.39Å; K86-V102 WeakPolarHBondContact CE-O 3.33Å; K86-V102 HydrophobicContact CG-CB 3.63Å; K86-V102 HydrophobicContact CG-CG1 4.27Å; K86-V102 HydrophobicContact CG-CG2 3.76Å
87Q91.7Very high84.6Confident124 Ų12475.5 Ų75.558%0.57939%0.394SS*.Hα-helixtrans-59.5-46.6177.9-175.3178.55.700111.5Q83 L85 L89 S90 D91Q83-Q87 PolarHBondContact O-N 3.39Å; L85-Q87 PolarHBondContact O-N 3.41Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.02Å; Q87-S90 WeakPolarHBondContact CA-OG 3.43Å; Q87-S90 PolarHBondContact O-N 3.24Å; Q87-S90 PolarHBondContact O-OG 3.32Å; Q87-D91 PolarHBondContact O-N 2.98Å; Q87-D91 VanDerWaalsContact O-N 3.09Å
88L90.3Very high83.6Confident58 Ų5877.9 Ų77.930%0.30441%0.407SS..Hα-helixtrans-63.2-36.9179.6-173.359.7000112.5L63 S84 L85 K86 I92L63-L88 HydrophobicContact CD1-CD2 3.64Å; L63-L88 HydrophobicContact CD1-CG 4.42Å; L63-L88 HydrophobicContact CD2-CD2 3.92Å; L63-L88 HydrophobicContact CD2-CG 4.01Å; L63-L88 HydrophobicContact CG-CD2 4.36Å; S84-L88 WeakPolarHBondContact O-CB 3.46Å; S84-L88 PolarHBondContact O-N 3.3Å; S84-L88 VanDerWaalsContact O-N 3.15Å; L85-L88 PolarHBondContact O-N 2.82Å; K86-L88 PolarHBondContact O-N 2.89Å; L88-I92 HydrophobicContact CG-CD1 4.32Å; L88-I92 WeakPolarHBondContact O-CD1 3.44Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.32Å; L88-I92 PolarHBondContact O-N 2.87Å
89L88.9Confident83Confident13 Ų1379.2 Ų79.27%0.06841%0.407CS..Hα-helixtrans-71.3-36.8176.8-74169.3000112.6L63 V66 L85 K86 Q87 D91 I92 S93 A100 V102L63-L89 HydrophobicContact CD2-CD2 3.71Å; L63-L89 HydrophobicContact CD2-CG 4.18Å; V66-L89 HydrophobicContact CB-CD2 4.1Å; V66-L89 HydrophobicContact CG1-CD2 4.06Å; V66-L89 HydrophobicContact CG2-CD2 3.88Å; L85-L89 HydrophobicContact CD1-CD1 4.23Å; L85-L89 HydrophobicContact CD1-CG 4.2Å; L85-L89 HydrophobicContact CG-CD1 4.04Å; L85-L89 HydrophobicContact CG-CG 4.49Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 WeakPolarHBondContact O-CG 3.14Å; L85-L89 PolarHBondContact O-N 2.73Å; K86-L89 PolarHBondContact O-N 3.43Å; Q87-L89 VanDerWaalsContact C-N 3.29Å; Q87-L89 PolarHBondContact O-N 3.02Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.76Å; L89-I92 PolarHBondContact O-N 3.36Å; L89-S93 PolarHBondContact O-N 3.41Å; L89-A100 HydrophobicContact CD1-CB 4.22Å; L89-V102 HydrophobicContact CD1-CG2 3.6Å
90S84.6Confident82.8Confident62 Ų6275.8 Ų75.843%0.43439%0.394SS..Hα-helixtrans-65-35.3175.3550000112.4K86 Q87K86-S90 PolarHBondContact O-N 2.92Å; K86-S90 PolarHBondContact O-OG 3.3Å; Q87-S90 WeakPolarHBondContact CA-OG 3.43Å; Q87-S90 PolarHBondContact O-N 3.24Å; Q87-S90 PolarHBondContact O-OG 3.32Å
91D82.8Confident82.8Confident117 Ų11770.6 Ų70.663%0.62637%0.37SS*.Hα-helixtrans-70.6-30.9-179.7-64.9-13.3000112.4Q87 L89Q87-D91 PolarHBondContact O-N 2.98Å; Q87-D91 VanDerWaalsContact O-N 3.09Å; L89-D91 VanDerWaalsContact C-N 3.3Å; L89-D91 PolarHBondContact O-N 2.76Å
92I73.9Confident82.8Confident99 Ų9971 Ų7151%0.50837%0.371SS..Hα-helixtrans-78.1-42.1-176.7-69.1165.6000112L63 L88 L89L63-I92 HydrophobicContact CD2-CD1 3.83Å; L88-I92 HydrophobicContact CG-CD1 4.32Å; L88-I92 WeakPolarHBondContact O-CD1 3.44Å; L88-I92 VanDerWaalsContact O-CG1 3.31Å; L88-I92 WeakPolarHBondContact O-CG1 3.32Å; L88-I92 PolarHBondContact O-N 2.87Å; L89-I92 PolarHBondContact O-N 3.36Å
93S61.7Low82.8Confident28 Ų2871.8 Ų71.820%0.19638%0.375CS..  trans-165.9111.8-179.11740000112.3L89 K95 S96 S97L89-S93 PolarHBondContact O-N 3.41Å; S93-K95 PolarHBondContact O-N 3.03Å; S93-S96 WeakPolarHBondContact CB-OG 3.48Å; S93-S96 PolarHBondContact O-N 3.14Å; S93-S96 VanDerWaalsContact O-N 3.14Å; S93-S96 WeakPolarHBondContact OG-CB 3.23Å; S93-S96 PolarHBondContact OG-N 3.45Å; S93-S96 PolarHBondContact OG-OG 3.09Å; S93-S97 PolarHBondContact O-N 2.97Å
94P60.9Low82.9Confident101 Ų10171.4 Ų71.466%0.65637%0.373SS*.THydrogen-bonded Turntrans-58.4-36.2174-23.532.3000112.3S97P94-S97 WeakPolarHBondContact O-CB 3.36Å; P94-S97 PolarHBondContact O-N 3.41Å; P94-S97 PolarHBondContact O-OG 3.25Å
95K61.4Low83Confident183 Ų18369.2 Ų69.280%0.79636%0.358SS*.THydrogen-bonded Turntrans-74-29.2179.3-69.9-174177.3-179.10113S93 S97S93-K95 PolarHBondContact O-N 3.03Å; K95-S97 PolarHBondContact O-N 3.15Å
96S59.2Low83.2Confident41 Ų4171.3 Ų71.329%0.28737%0.369SS..G310 helixtrans-74.9-18176.2-54.60000112.2S93 E98 K99 A100S93-S96 WeakPolarHBondContact CB-OG 3.48Å; S93-S96 PolarHBondContact O-N 3.14Å; S93-S96 VanDerWaalsContact O-N 3.14Å; S93-S96 WeakPolarHBondContact OG-CB 3.23Å; S93-S96 PolarHBondContact OG-N 3.45Å; S93-S96 PolarHBondContact OG-OG 3.09Å; S96-E98 PolarHBondContact O-N 3.42Å; S96-K99 PolarHBondContact O-N 2.93Å; S96-A100 PolarHBondContact O-N 3.08Å
97S60.6Low83.5Confident62 Ų6266.6 Ų66.643%0.43435%0.348SS..G310 helixtrans-62.3-26179.375.80000113.3S93 P94 K95 K99 A100S93-S97 PolarHBondContact O-N 2.97Å; P94-S97 WeakPolarHBondContact O-CB 3.36Å; P94-S97 PolarHBondContact O-N 3.41Å; P94-S97 PolarHBondContact O-OG 3.25Å; K95-S97 PolarHBondContact O-N 3.15Å; S97-K99 PolarHBondContact O-N 2.84Å; S97-K99 VanDerWaalsContact O-N 3.16Å; S97-A100 PolarHBondContact O-N 3.44Å
98E74.8Confident83.8Confident155 Ų15562.9 Ų62.972%0.72434%0.335SS*.G310 helixtrans-65.3-19.6178.7-67.6-177.8-173.100113.6S96S96-E98 PolarHBondContact O-N 3.42Å
99K84.4Confident84.2Confident91 Ų9161.5 Ų61.540%0.39633%0.33SS..G310 helixtrans-121.915.8-179.1-64.9-171.3173.8-171.90113.1T44 P71 T72 S96 S97 W101T44-K99 PolarHBondContact O-NZ 3.34Å; P71-K99 CarbonylContact C-O 3.57Å; P71-K99 VanDerWaalsContact CA-O 3.32Å; P71-K99 WeakPolarHBondContact CA-O 3.42Å; P71-K99 HydrophobicContact CB-CB 4.43Å; P71-K99 HydrophobicContact CG-CD 4.35Å; T72-K99 PolarHBondContact N-O 3.38Å; S96-K99 PolarHBondContact O-N 2.93Å; S97-K99 PolarHBondContact O-N 2.84Å; S97-K99 VanDerWaalsContact O-N 3.16Å; K99-W101 WeakPolarHBondContact O-CZ3 3.35Å
100A93.3Very high84.7Confident17 Ų1764.7 Ų64.714%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-122.1112.1178.600000109.5V66 T72 L89 S96 S97V66-A100 HydrophobicContact CG1-CB 4.42Å; V66-A100 HydrophobicContact CG2-CB 3.76Å; T72-A100 WeakPolarHBondContact O-CA 3.41Å; L89-A100 HydrophobicContact CD1-CB 4.22Å; S96-A100 PolarHBondContact O-N 3.08Å; S97-A100 PolarHBondContact O-N 3.44Å
101W95.5Very high85.3Confident54 Ų5464.7 Ų64.721%0.20534%0.344CS..EExtended strand (participates in β ladder)trans-110.3133176.4-59.1-91.9000109.7P71 T72 F73 A74 K99 F119 N123P71-W101 HydrophobicContact CB-CZ3 4.04Å; T72-W101 PolarHBondContact O-N 3.14Å; F73-W101 CarbonylContact C-O 3.59Å; F73-W101 WeakPolarHBondContact CA-O 3.38Å; F73-W101 HydrophobicContact CD1-CB 3.74Å; F73-W101 HydrophobicContact CD1-CD2 4.01Å; F73-W101 AromaticContact CD1-CE3 3.77Å; F73-W101 HydrophobicContact CD1-CE3 3.77Å; F73-W101 HydrophobicContact CD1-CG 4.03Å; F73-W101 HydrophobicContact CD2-CE3 4.28Å; F73-W101 HydrophobicContact CE1-CB 4.06Å; F73-W101 AromaticContact CE1-CD2 3.5Å; F73-W101 HydrophobicContact CE1-CD2 3.5Å; F73-W101 AromaticContact CE1-CE3 3.35Å; F73-W101 HydrophobicContact CE1-CE3 3.35Å; F73-W101 AromaticContact CE1-CG 3.82Å; F73-W101 HydrophobicContact CE1-CG 3.82Å; F73-W101 AromaticContact CE1-CZ3 3.99Å; F73-W101 HydrophobicContact CE1-CZ3 3.99Å; F73-W101 AromaticContact CE2-CE3 3.93Å; F73-W101 HydrophobicContact CE2-CE3 3.93Å; F73-W101 AromaticContact CE2-CZ3 3.93Å; F73-W101 HydrophobicContact CE2-CZ3 3.93Å; F73-W101 HydrophobicContact CG-CE3 4.2Å; F73-W101 AromaticContact CZ-CD2 3.98Å; F73-W101 HydrophobicContact CZ-CD2 3.98Å; F73-W101 AromaticContact CZ-CE3 3.45Å; F73-W101 HydrophobicContact CZ-CE3 3.45Å; F73-W101 VanDerWaalsContact CZ-CE3 3.45Å; F73-W101 HydrophobicContact CZ-CH2 4.21Å; F73-W101 AromaticContact CZ-CZ3 3.58Å; F73-W101 HydrophobicContact CZ-CZ3 3.58Å; A74-W101 PolarHBondContact N-O 2.61Å; K99-W101 WeakPolarHBondContact O-CZ3 3.35Å; W101-F119 HydrophobicContact CB-CE1 3.78Å; W101-F119 HydrophobicContact CB-CZ 4.2Å; W101-F119 AromaticContact CD1-CE1 3.99Å; W101-F119 AromaticContact CD1-CZ 3.79Å; W101-F119 AromaticContact CG-CE1 3.97Å; W101-F119 HydrophobicContact CG-CE1 3.97Å; W101-F119 HydrophobicContact CG-CZ 4.21Å; W101-N123 HydrophobicContact CD2-CB 4.42Å; W101-N123 HydrophobicContact CZ2-CB 4.08Å
102V97Very high86.1Confident13 Ų1361.3 Ų61.38%0.07933%0.326CS..EExtended strand (participates in β ladder)trans-116.6124.4172.6-170.60000108.4A74 V82 L85 K86 L89A74-V102 VanDerWaalsContact O-CA 3.31Å; A74-V102 WeakPolarHBondContact O-CA 3.25Å; A74-V102 WeakPolarHBondContact O-CG1 3.46Å; V82-V102 HydrophobicContact CB-CG1 4.23Å; V82-V102 HydrophobicContact CG1-CB 4.49Å; V82-V102 HydrophobicContact CG1-CG1 3.98Å; V82-V102 HydrophobicContact CG2-CG1 4.35Å; L85-V102 HydrophobicContact CB-CG1 4.16Å; L85-V102 HydrophobicContact CB-CG2 4.47Å; L85-V102 HydrophobicContact CD2-CG1 4.12Å; L85-V102 HydrophobicContact CD2-CG2 4.28Å; L85-V102 HydrophobicContact CG-CG1 4.32Å; L85-V102 HydrophobicContact CG-CG2 4.04Å; K86-V102 HydrophobicContact CD-CB 4.39Å; K86-V102 WeakPolarHBondContact CE-O 3.33Å; K86-V102 HydrophobicContact CG-CB 3.63Å; K86-V102 HydrophobicContact CG-CG1 4.27Å; K86-V102 HydrophobicContact CG-CG2 3.76Å; L89-V102 HydrophobicContact CD1-CG2 3.6Å
103L97.7Very high87.3Confident20 Ų2056.6 Ų56.611%0.10530%0.302CS..EExtended strand (participates in β ladder)trans-130.3156-176.267.2163.4000110.9F49 F73 A74 A75 C76 A116 F119F49-L103 HydrophobicContact CE2-CD1 4.29Å; F49-L103 HydrophobicContact CE2-CD2 4.23Å; F73-L103 HydrophobicContact CB-CD2 4.4Å; A74-L103 PolarHBondContact O-N 2.91Å; A74-L103 VanDerWaalsContact O-N 3.11Å; A75-L103 CarbonylContact C-O 3.6Å; A75-L103 WeakPolarHBondContact CA-O 3.14Å; A75-L103 HydrophobicContact CB-CD2 4.05Å; A75-L103 HydrophobicContact CB-CG 4.16Å; C76-L103 PolarHBondContact N-O 2.91Å; L103-A116 HydrophobicContact CD1-CB 3.73Å; L103-F119 HydrophobicContact CD1-CD1 4.14Å
104Q98.5Very high89Confident103 Ų10360.1 Ų60.148%0.48132%0.315SS..EExtended strand (participates in β ladder)trans-84.6141.8171.4-166174.9-12.600109.8C76 K77 V82C76-Q104 CarbonylContact O-C 3.4Å; C76-Q104 VanDerWaalsContact O-CA 3.22Å; C76-Q104 WeakPolarHBondContact O-CA 3.44Å; K77-Q104 WeakPolarHBondContact O-CG 3.43Å; K77-Q104 PolarHBondContact O-NE2 3.4Å; V82-Q104 HydrophobicContact CG2-CB 3.99Å
105L98.7Very high90.8Very high6 Ų661.7 Ų61.73%0.03131%0.314CS..  trans-155118.1178.6173.661.7000110.9F49 T51 A75 C76 K77 I107 D112 V113 A116F49-L105 HydrophobicContact CE1-CD2 4.1Å; F49-L105 HydrophobicContact CZ-CD2 3.8Å; T51-L105 HydrophobicContact CG2-CD2 3.91Å; A75-L105 HydrophobicContact CB-CB 3.8Å; A75-L105 HydrophobicContact CB-CD2 3.69Å; A75-L105 HydrophobicContact CB-CG 4.41Å; C76-L105 PolarHBondContact O-N 2.95Å; K77-L105 WeakPolarHBondContact CA-O 3.31Å; L105-I107 HydrophobicContact CD2-CG2 3.84Å; L105-I107 HydrophobicContact CG-CG2 3.92Å; L105-D112 HydrophobicContact CD1-CB 3.82Å; L105-D112 WeakPolarHBondContact CD1-O 3.33Å; L105-V113 HydrophobicContact CD1-CB 4.45Å; L105-V113 HydrophobicContact CD1-CG2 3.87Å; L105-A116 HydrophobicContact CD1-CB 4.12Å
106D98.5Very high92.6Very high43 Ų4353.2 Ų53.223%0.2328%0.278CS..  trans-92110.8158.1-163.1-31.1000110.5T108 S109 D112D106-T108 PolarHBondContact O-N 3.35Å; D106-T108 VanDerWaalsContact O-N 3.12Å; D106-T108 WeakPolarHBondContact OD1-CB 3.35Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.08Å; D106-T108 PolarHBondContact OD1-N 2.9Å; D106-T108 PolarHBondContact OD1-OG1 3.22Å; D106-T108 PolarHBondContact OD2-OG1 3.45Å; D106-S109 WeakPolarHBondContact O-CB 3.42Å; D106-S109 PolarHBondContact O-N 3.14Å; D106-D112 WeakPolarHBondContact CB-OD2 3.39Å; D106-D112 PolarHBondContact N-OD2 3.07Å; D106-D112 VanDerWaalsContact N-OD2 3.16Å
107I98.7Very high94.5Very high8 Ų853.5 Ų53.54%0.04127%0.273CS..THydrogen-bonded Turntrans-67.3-11.9-179.863.6162.2000113.5T51 L105 S109 A136 V159 G163 R166 V167T51-I107 HydrophobicContact CG2-CG2 4.21Å; L105-I107 HydrophobicContact CD2-CG2 3.84Å; L105-I107 HydrophobicContact CG-CG2 3.92Å; I107-S109 VanDerWaalsContact C-N 3.3Å; I107-A136 HydrophobicContact CD1-CB 3.66Å; I107-A136 HydrophobicContact CG1-CB 4.34Å; I107-A136 HydrophobicContact CG2-CB 4.35Å; I107-V159 HydrophobicContact CD1-CG1 3.96Å; I107-V159 VanDerWaalsContact CD1-O 3.27Å; I107-V159 WeakPolarHBondContact CD1-O 3.28Å; I107-V159 HydrophobicContact CG1-CG1 4.35Å; I107-G163 VanDerWaalsContact O-CA 3.22Å; I107-G163 WeakPolarHBondContact O-CA 2.97Å; I107-R166 PolarHBondContact O-NH1 2.96Å; I107-V167 HydrophobicContact CB-CG2 3.95Å; I107-V167 HydrophobicContact CG2-CG2 3.63Å
108T98.5Very high96.3Very high47 Ų4752.8 Ų52.829%0.28827%0.27SS..THydrogen-bonded Turntrans-78.3-18173.368.40000112.4D106 E158 V159 R166D106-T108 PolarHBondContact O-N 3.35Å; D106-T108 VanDerWaalsContact O-N 3.12Å; D106-T108 WeakPolarHBondContact OD1-CB 3.35Å; D106-T108 WeakPolarHBondContact OD1-CG2 3.08Å; D106-T108 PolarHBondContact OD1-N 2.9Å; D106-T108 PolarHBondContact OD1-OG1 3.22Å; D106-T108 PolarHBondContact OD2-OG1 3.45Å; T108-E158 HydrophobicContact CG2-CB 4.32Å; T108-V159 HydrophobicContact CG2-CB 4.48Å; T108-V159 HydrophobicContact CG2-CG2 3.69Å; T108-R166 PolarHBondContact O-NH1 2.9Å
109S98.6Very high97.5Very high29 Ų2949 Ų4920%0.20325%0.252CS..  trans-96.7125-179.2173.10000111.5D106 I107 S111 D112 V113D106-S109 WeakPolarHBondContact O-CB 3.42Å; D106-S109 PolarHBondContact O-N 3.14Å; I107-S109 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact OG-OG 2.81Å; S109-D112 VanDerWaalsContact CB-CG 3.5Å; S109-D112 VanDerWaalsContact CB-OD1 3.31Å; S109-D112 WeakPolarHBondContact CB-OD1 3.42Å; S109-D112 VanDerWaalsContact OG-CG 3.31Å; S109-D112 PolarHBondContact OG-N 3Å; S109-D112 PolarHBondContact OG-OD1 2.93Å; S109-V113 VanDerWaalsContact O-CG2 3.25Å; S109-V113 WeakPolarHBondContact O-CG2 3.38Å; S109-V113 PolarHBondContact O-N 3.15Å
110Q98.6Very high98.1Very high80 Ų8044.6 Ų44.637%0.37423%0.233SC..Hα-helixtrans-65.7-42.8175.1-176.763.130.400112.2D112 V113 E114 R166Q110-D112 VanDerWaalsContact C-N 3.35Å; Q110-D112 PolarHBondContact O-N 3.32Å; Q110-V113 PolarHBondContact O-N 2.84Å; Q110-E114 HydrophobicContact CG-CG 4.47Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.39Å; Q110-E114 PolarHBondContact NE2-OE1 3.36Å; Q110-E114 WeakPolarHBondContact O-CG 3.49Å; Q110-E114 PolarHBondContact O-N 3Å; Q110-R166 VanDerWaalsContact OE1-CD 3.26Å
111S98.7Very high98.4Very high61 Ų6151.7 Ų51.743%0.42726%0.256SS..Hα-helixtrans-61.7-43.617949.60000111.4S109 V113 E114 E115S109-S111 PolarHBondContact OG-OG 2.81Å; S111-V113 VanDerWaalsContact C-N 3.31Å; S111-V113 PolarHBondContact O-N 2.81Å; S111-E114 PolarHBondContact O-N 2.89Å; S111-E115 WeakPolarHBondContact O-CB 3.47Å; S111-E115 WeakPolarHBondContact O-CG 3.33Å; S111-E115 PolarHBondContact O-N 2.8Å
112D98.7Very high98.4Very high47 Ų4757.6 Ų57.625%0.25128%0.283SS..Hα-helixtrans-62.7-40.3179.2-66.935.2000111.2L105 D106 S109 Q110 E115 A116L105-D112 HydrophobicContact CD1-CB 3.82Å; L105-D112 WeakPolarHBondContact CD1-O 3.33Å; D106-D112 WeakPolarHBondContact CB-OD2 3.39Å; D106-D112 PolarHBondContact N-OD2 3.07Å; D106-D112 VanDerWaalsContact N-OD2 3.16Å; S109-D112 VanDerWaalsContact CB-CG 3.5Å; S109-D112 VanDerWaalsContact CB-OD1 3.31Å; S109-D112 WeakPolarHBondContact CB-OD1 3.42Å; S109-D112 VanDerWaalsContact OG-CG 3.31Å; S109-D112 PolarHBondContact OG-N 3Å; S109-D112 PolarHBondContact OG-OD1 2.93Å; Q110-D112 VanDerWaalsContact C-N 3.35Å; Q110-D112 PolarHBondContact O-N 3.32Å; D112-E115 PolarHBondContact O-N 2.81Å; D112-A116 VanDerWaalsContact O-CB 3.31Å; D112-A116 WeakPolarHBondContact O-CB 3.26Å; D112-A116 PolarHBondContact O-N 2.85Å
113V98.9Very high98.4Very high0 Ų059.2 Ų59.20%029%0.291CS..Hα-helixtrans-67.3-39178.31770000111.1L105 S109 Q110 S111 Y117 R166 V167 T170 F171L105-V113 HydrophobicContact CD1-CB 4.45Å; L105-V113 HydrophobicContact CD1-CG2 3.87Å; S109-V113 VanDerWaalsContact O-CG2 3.25Å; S109-V113 WeakPolarHBondContact O-CG2 3.38Å; S109-V113 PolarHBondContact O-N 3.15Å; Q110-V113 PolarHBondContact O-N 2.84Å; S111-V113 VanDerWaalsContact C-N 3.31Å; S111-V113 PolarHBondContact O-N 2.81Å; V113-Y117 WeakPolarHBondContact O-CB 3.43Å; V113-Y117 PolarHBondContact O-N 2.85Å; V113-R166 HydrophobicContact CB-CG 4.4Å; V113-R166 HydrophobicContact CG1-CG 4.4Å; V113-R166 HydrophobicContact CG2-CG 4.12Å; V113-V167 HydrophobicContact CG1-CG2 4.19Å; V113-V167 HydrophobicContact CG2-CG2 3.89Å; V113-T170 HydrophobicContact CG1-CG2 3.91Å; V113-F171 HydrophobicContact CG1-CE2 4.35Å
114E98.8Very high98.2Very high101 Ų10159.4 Ų59.447%0.47229%0.292SS..Hα-helixtrans-68.4-40.4175.8-74.1174-175.200112.5Q110 S111 Y117 A118Q110-E114 HydrophobicContact CG-CG 4.47Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.39Å; Q110-E114 PolarHBondContact NE2-OE1 3.36Å; Q110-E114 WeakPolarHBondContact O-CG 3.49Å; Q110-E114 PolarHBondContact O-N 3Å; S111-E114 PolarHBondContact O-N 2.89Å; E114-Y117 WeakPolarHBondContact O-CB 3.49Å; E114-Y117 PolarHBondContact O-N 2.84Å; E114-A118 WeakPolarHBondContact O-CB 3.45Å; E114-A118 PolarHBondContact O-N 3.38Å
115E98.8Very high97.9Very high135 Ų13558 Ų5863%0.63131%0.305SS*.Hα-helixtrans-63.6-44.4173.8-74.9179.3-164.800111.2S111 D112 Y117 A118 F119S111-E115 WeakPolarHBondContact O-CB 3.47Å; S111-E115 WeakPolarHBondContact O-CG 3.33Å; S111-E115 PolarHBondContact O-N 2.8Å; D112-E115 PolarHBondContact O-N 2.81Å; E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 PolarHBondContact O-N 3.15Å; E115-A118 PolarHBondContact O-N 2.88Å; E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.43Å; E115-F119 PolarHBondContact O-N 2.84Å
116A98.8Very high97.6Very high4 Ų462.7 Ų62.73%0.03334%0.339CS..Hα-helixtrans-60.4-42.5173.900000111.5F49 L103 L105 D112 F119 V120 F171F49-A116 HydrophobicContact CE2-CB 4.34Å; F49-A116 HydrophobicContact CZ-CB 4.04Å; L103-A116 HydrophobicContact CD1-CB 3.73Å; L105-A116 HydrophobicContact CD1-CB 4.12Å; D112-A116 VanDerWaalsContact O-CB 3.31Å; D112-A116 WeakPolarHBondContact O-CB 3.26Å; D112-A116 PolarHBondContact O-N 2.85Å; A116-F119 PolarHBondContact O-N 3.14Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.22Å; A116-V120 PolarHBondContact O-N 2.9Å; A116-F171 HydrophobicContact CB-CZ 4.33Å
117Y98.8Very high97.5Very high48 Ų4861.6 Ų61.619%0.18833%0.334CS..Hα-helixtrans-61.1-47.5175175.6-93.3000112V113 E114 E115 F119 V120 R121 T170 F171 M174V113-Y117 WeakPolarHBondContact O-CB 3.43Å; V113-Y117 PolarHBondContact O-N 2.85Å; E114-Y117 WeakPolarHBondContact O-CB 3.49Å; E114-Y117 PolarHBondContact O-N 2.84Å; E115-Y117 VanDerWaalsContact C-N 3.32Å; E115-Y117 PolarHBondContact O-N 3.15Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.09Å; Y117-V120 PolarHBondContact O-N 2.81Å; Y117-R121 WeakPolarHBondContact O-CB 3.33Å; Y117-R121 PolarHBondContact O-N 2.82Å; Y117-T170 HydrophobicContact CD2-CG2 4.07Å; Y117-T170 WeakPolarHBondContact CD2-O 3.47Å; Y117-T170 VanDerWaalsContact CE2-O 3.25Å; Y117-T170 WeakPolarHBondContact CE2-O 3.41Å; Y117-T170 HydrophobicContact CG-CG2 3.91Å; Y117-F171 HydrophobicContact CD2-CD1 4.07Å; Y117-F171 HydrophobicContact CD2-CD2 4.47Å; Y117-F171 HydrophobicContact CD2-CE1 4.29Å; Y117-F171 HydrophobicContact CD2-CG 4.19Å; Y117-M174 HydrophobicContact CD2-CE 3.91Å; Y117-M174 HydrophobicContact CD2-SD 4.02Å; Y117-M174 HydrophobicContact CE1-CE 4.23Å; Y117-M174 HydrophobicContact CE2-CE 3.55Å; Y117-M174 HydrophobicContact CE2-CG 3.66Å; Y117-M174 HydrophobicContact CE2-SD 3.66Å; Y117-M174 HydrophobicContact CG-CE 4.4Å
118A98.7Very high97.4Very high46 Ų4664.4 Ų64.438%0.3835%0.347SS..Hα-helixtrans-62.3-40.5177.200000111.7E114 E115 R121 K122E114-A118 WeakPolarHBondContact O-CB 3.45Å; E114-A118 PolarHBondContact O-N 3.38Å; E115-A118 PolarHBondContact O-N 2.88Å; A118-R121 PolarHBondContact O-N 3.31Å; A118-K122 WeakPolarHBondContact O-CB 3.44Å; A118-K122 PolarHBondContact O-N 3.49Å
119F98.6Very high97.4Very high75 Ų7562.3 Ų62.333%0.32933%0.334SS..Hα-helixtrans-62-48176-177.6-88.1000111.7F73 W101 L103 E115 A116 Y117 K122 N123F73-F119 HydrophobicContact CD1-CD1 4.17Å; F73-F119 AromaticContact CD1-CE1 3.99Å; F73-F119 HydrophobicContact CD1-CE1 3.99Å; F73-F119 HydrophobicContact CE1-CD1 4.23Å; F73-F119 AromaticContact CE1-CE1 4Å; F73-F119 HydrophobicContact CE1-CE1 4Å; W101-F119 HydrophobicContact CB-CE1 3.78Å; W101-F119 HydrophobicContact CB-CZ 4.2Å; W101-F119 AromaticContact CD1-CE1 3.99Å; W101-F119 AromaticContact CD1-CZ 3.79Å; W101-F119 AromaticContact CG-CE1 3.97Å; W101-F119 HydrophobicContact CG-CE1 3.97Å; W101-F119 HydrophobicContact CG-CZ 4.21Å; L103-F119 HydrophobicContact CD1-CD1 4.14Å; E115-F119 VanDerWaalsContact O-CB 3.3Å; E115-F119 WeakPolarHBondContact O-CB 3.43Å; E115-F119 PolarHBondContact O-N 2.84Å; A116-F119 PolarHBondContact O-N 3.14Å; Y117-F119 VanDerWaalsContact C-N 3.32Å; Y117-F119 PolarHBondContact O-N 3.09Å; F119-K122 PolarHBondContact O-N 3.16Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.41Å; F119-N123 WeakPolarHBondContact CZ-ND2 3.4Å; F119-N123 PolarHBondContact O-N 3.21Å; F119-N123 VanDerWaalsContact O-N 3.14Å; F119-N123 PolarHBondContact O-ND2 3.37Å
120V98.6Very high97.4Very high0 Ų061.7 Ų61.70%033%0.327CS..Hα-helixtrans-60.1-48.8176.3171.30000109.7F49 F73 A116 Y117 K122 N123 L124 L129 F171 M174F49-V120 HydrophobicContact CD2-CG2 3.44Å; F49-V120 VanDerWaalsContact CD2-CG2 3.44Å; F49-V120 HydrophobicContact CE2-CG2 3.7Å; F49-V120 HydrophobicContact CG-CG2 4.47Å; F73-V120 HydrophobicContact CB-CG2 4.14Å; F73-V120 HydrophobicContact CD1-CG2 3.78Å; F73-V120 HydrophobicContact CD2-CG1 4.2Å; F73-V120 HydrophobicContact CD2-CG2 4.22Å; F73-V120 HydrophobicContact CE1-CG2 4.23Å; F73-V120 HydrophobicContact CE2-CG1 4.06Å; F73-V120 HydrophobicContact CG-CG2 3.79Å; F73-V120 HydrophobicContact CZ-CG1 4.34Å; A116-V120 VanDerWaalsContact O-CG2 3.28Å; A116-V120 WeakPolarHBondContact O-CG2 3.22Å; A116-V120 PolarHBondContact O-N 2.9Å; Y117-V120 PolarHBondContact O-N 2.81Å; V120-K122 VanDerWaalsContact C-N 3.25Å; V120-K122 PolarHBondContact O-N 3.14Å; V120-N123 PolarHBondContact O-N 3.14Å; V120-N123 VanDerWaalsContact O-N 3.07Å; V120-L124 HydrophobicContact CG1-CD1 4.07Å; V120-L124 HydrophobicContact CG1-CD2 4.37Å; V120-L124 HydrophobicContact CG1-CG 3.98Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 3.24Å; V120-L129 HydrophobicContact CG1-CD1 4.49Å; V120-F171 HydrophobicContact CB-CE1 4.09Å; V120-F171 HydrophobicContact CG1-CE1 4.29Å; V120-F171 HydrophobicContact CG2-CE1 3.92Å; V120-F171 HydrophobicContact CG2-CZ 4.26Å; V120-M174 HydrophobicContact CG1-CE 4.42Å; V120-M174 HydrophobicContact CG1-SD 4.1Å
121R98Very high97.4Very high165 Ų16557.9 Ų57.962%0.62331%0.31SS*.Hα-helixtrans-53.8-44.1179-161.8172.467.7179.9-0.5112.3Y117 A118 M174Y117-R121 WeakPolarHBondContact O-CB 3.33Å; Y117-R121 PolarHBondContact O-N 2.82Å; A118-R121 PolarHBondContact O-N 3.31Å; R121-M174 VanDerWaalsContact CA-CE 3.43Å; R121-M174 HydrophobicContact CB-CE 3.28Å; R121-M174 HydrophobicContact CG-CE 3.65Å
122K97.1Very high97.5Very high179 Ų17955 Ų5578%0.77829%0.289SS*.Hα-helixtrans-67.5-34.2-178.6-177179.2176.5-178.10112.7A118 F119 V120A118-K122 WeakPolarHBondContact O-CB 3.44Å; A118-K122 PolarHBondContact O-N 3.49Å; F119-K122 PolarHBondContact O-N 3.16Å; V120-K122 VanDerWaalsContact C-N 3.25Å; V120-K122 PolarHBondContact O-N 3.14Å
123N95.8Very high97.5Very high46 Ų4652.8 Ų52.825%0.24628%0.277CS..Hα-helixtrans-102.6-4.2-171.5-70-76.1000114.3F73 W101 F119 V120 G125F73-N123 HydrophobicContact CE1-CB 3.7Å; F73-N123 HydrophobicContact CZ-CB 3.87Å; W101-N123 HydrophobicContact CD2-CB 4.42Å; W101-N123 HydrophobicContact CZ2-CB 4.08Å; F119-N123 WeakPolarHBondContact CE2-ND2 3.41Å; F119-N123 WeakPolarHBondContact CZ-ND2 3.4Å; F119-N123 PolarHBondContact O-N 3.21Å; F119-N123 VanDerWaalsContact O-N 3.14Å; F119-N123 PolarHBondContact O-ND2 3.37Å; V120-N123 PolarHBondContact O-N 3.14Å; V120-N123 VanDerWaalsContact O-N 3.07Å; N123-G125 PolarHBondContact O-N 3.25Å
124L94.4Very high97.5Very high24 Ų2452.8 Ų52.813%0.12628%0.277CS..  trans-60.1-32.5178-87.7170.2000113.3A47 F73 V120 S126 S127 L129 M174A47-L124 HydrophobicContact CB-CD2 3.54Å; F73-L124 HydrophobicContact CE2-CD2 4.11Å; V120-L124 HydrophobicContact CG1-CD1 4.07Å; V120-L124 HydrophobicContact CG1-CD2 4.37Å; V120-L124 HydrophobicContact CG1-CG 3.98Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.48Å; V120-L124 PolarHBondContact O-N 3.24Å; L124-S126 PolarHBondContact O-N 2.59Å; L124-S127 VanDerWaalsContact O-CB 3.22Å; L124-S127 WeakPolarHBondContact O-CB 3.36Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-S127 PolarHBondContact O-OG 3.29Å; L124-L129 HydrophobicContact CD1-CB 4.35Å; L124-L129 HydrophobicContact CD2-CB 4.34Å; L124-M174 HydrophobicContact CD1-CE 4.27Å; L124-M174 HydrophobicContact CD1-SD 4.16Å
125G91.6Very high97.4Very high73 Ų7348.8 Ų48.875%0.75326%0.259SS*.THydrogen-bonded Turntrans58.2-124.9-177.300000111.6N123 S127N123-G125 PolarHBondContact O-N 3.25Å; G125-S127 VanDerWaalsContact C-N 3.32Å
126S92.4Very high97.3Very high106 Ų10642.9 Ų42.974%0.74123%0.234SC*.THydrogen-bonded Turntrans-88.84.5175.560.40000114.1L124L124-S126 PolarHBondContact O-N 2.59Å
127S96Very high97.1Very high19 Ų1944.1 Ų44.113%0.13325%0.247CC..  trans-88.7157.4175.2-49.90000110.3K45 P71 L124 G125K45-S127 WeakPolarHBondContact O-CA 3.36Å; K45-S127 VanDerWaalsContact O-CB 3.31Å; K45-S127 WeakPolarHBondContact O-CB 3.33Å; P71-S127 WeakPolarHBondContact CG-OG 3.26Å; L124-S127 VanDerWaalsContact O-CB 3.22Å; L124-S127 WeakPolarHBondContact O-CB 3.36Å; L124-S127 PolarHBondContact O-N 3.36Å; L124-S127 PolarHBondContact O-OG 3.29Å; G125-S127 VanDerWaalsContact C-N 3.32Å
128E97.5Very high96.7Very high67 Ų6744.4 Ų44.431%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-108.1148.617268.2-165.4152.700110.1K45 K46 A47 W130 S178K45-E128 PolarHBondContact O-N 3.47Å; K46-E128 HydrophobicContact CD-CG 4.22Å; K46-E128 VanDerWaalsContact CD-OE1 3.27Å; K46-E128 WeakPolarHBondContact CD-OE1 3.41Å; K46-E128 WeakPolarHBondContact CE-OE1 3.27Å; K46-E128 IonicContact NZ-OE1 2.61Å; K46-E128 PolarHBondContact NZ-OE1 3.33Å; A47-E128 VanDerWaalsContact CB-O 3.28Å; A47-E128 WeakPolarHBondContact CB-O 3.34Å; A47-E128 PolarHBondContact N-O 3.39Å; E128-W130 PolarHBondContact O-N 2.67Å; E128-S178 WeakPolarHBondContact OE2-CB 3.42Å
129L98.7Very high95.9Very high3 Ų343.5 Ų43.52%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-70.8101.9170.5-178.667.1000108.6F49 V120 L124 F171 M174 L175 S178F49-L129 HydrophobicContact CB-CD1 3.83Å; V120-L129 HydrophobicContact CG1-CD1 4.49Å; L124-L129 HydrophobicContact CD1-CB 4.35Å; L124-L129 HydrophobicContact CD2-CB 4.34Å; L129-F171 HydrophobicContact CD2-CD1 3.64Å; L129-F171 HydrophobicContact CD2-CE1 4.41Å; L129-M174 HydrophobicContact CB-CB 4.05Å; L129-M174 HydrophobicContact CB-SD 4.36Å; L129-M174 HydrophobicContact CD2-CB 3.77Å; L129-M174 HydrophobicContact CD2-SD 3.86Å; L129-L175 HydrophobicContact CD2-CD2 4.12Å; L129-L175 HydrophobicContact CD2-CG 4.2Å; L129-L175 HydrophobicContact CG-CD2 4Å; L129-S178 VanDerWaalsContact O-CB 3.29Å; L129-S178 WeakPolarHBondContact O-CB 3.38Å; L129-S178 PolarHBondContact O-OG 3.15Å
130W98.6Very high95.1Very high17 Ų1740.7 Ų40.76%0.06423%0.232CC..EExtended strand (participates in β ladder)trans-86.9-42.3-176.3169.1-112.9000112.8I40 K46 A47 E128 H179 G180 R181 I307I40-W130 HydrophobicContact CD1-CD2 4.19Å; I40-W130 HydrophobicContact CD1-CH2 4.29Å; I40-W130 HydrophobicContact CD1-CZ2 3.35Å; I40-W130 VanDerWaalsContact CD1-NE1 3.28Å; I40-W130 HydrophobicContact CG2-CH2 4.47Å; I40-W130 HydrophobicContact CG2-CZ2 4.09Å; K46-W130 HydrophobicContact CB-CB 3.64Å; K46-W130 HydrophobicContact CB-CG 3.81Å; K46-W130 HydrophobicContact CD-CB 3.71Å; K46-W130 HydrophobicContact CD-CD2 3.69Å; K46-W130 HydrophobicContact CD-CE3 3.78Å; K46-W130 HydrophobicContact CD-CG 3.67Å; K46-W130 HydrophobicContact CG-CB 4.27Å; K46-W130 HydrophobicContact CG-CG 4.19Å; A47-W130 WeakPolarHBondContact O-CA 3.37Å; A47-W130 WeakPolarHBondContact O-CB 3.27Å; A47-W130 PolarHBondContact O-N 2.88Å; E128-W130 PolarHBondContact O-N 2.67Å; W130-H179 WeakPolarHBondContact CZ3-O 3.34Å; W130-G180 CarbonylContact O-C 3.58Å; W130-G180 WeakPolarHBondContact O-CA 3.42Å; W130-R181 HydrophobicContact CH2-CG 4.38Å; W130-R181 HydrophobicContact CZ2-CG 4.12Å; W130-R181 PolarHBondContact O-N 2.97Å; W130-I307 PolarHBondContact NE1-O 2.73Å
131A98.9Very high94.2Very high0 Ų040.9 Ų40.90%023%0.233CC..EExtended strand (participates in β ladder)trans-134.9128.5-175.800000111.6A47 V48 F49 R181 I307A47-A131 PolarHBondContact O-N 2.86Å; A47-A131 VanDerWaalsContact O-N 3.14Å; V48-A131 CarbonylContact C-O 3.43Å; V48-A131 WeakPolarHBondContact CA-O 3.36Å; V48-A131 HydrophobicContact CG1-CB 4.11Å; V48-A131 HydrophobicContact CG2-CB 4.35Å; F49-A131 PolarHBondContact N-O 3.23Å; A131-R181 CarbonylContact C-O 3.37Å; A131-R181 WeakPolarHBondContact CA-O 3.3Å; A131-I307 HydrophobicContact CB-CG1 4.1Å; A131-I307 HydrophobicContact CB-CG2 4.21Å
132L98.9Very high93Very high0 Ų033 Ų330%020%0.203CC..EExtended strand (participates in β ladder)trans-99.7121.5164.3171.362.7000108.9F49 N134 V167 F171 L175 R181 M182 I183F49-L132 HydrophobicContact CB-CD1 4.37Å; F49-L132 HydrophobicContact CD1-CD1 3.52Å; F49-L132 HydrophobicContact CE1-CD1 4.31Å; F49-L132 HydrophobicContact CG-CD1 4.39Å; L132-N134 WeakPolarHBondContact CD2-ND2 3.36Å; L132-V167 HydrophobicContact CD1-CG1 3.76Å; L132-V167 HydrophobicContact CD2-CG1 4.28Å; L132-F171 HydrophobicContact CD1-CG 4.47Å; L132-F171 HydrophobicContact CD2-CB 3.9Å; L132-L175 HydrophobicContact CB-CD1 3.7Å; L132-L175 HydrophobicContact CB-CD2 4.34Å; L132-L175 HydrophobicContact CD2-CD1 4.09Å; L132-R181 PolarHBondContact N-O 2.85Å; L132-M182 HydrophobicContact CB-CG 4.47Å; L132-M182 HydrophobicContact CD2-CG 4.3Å; L132-M182 CarbonylContact O-C 3.34Å; L132-M182 WeakPolarHBondContact O-CA 3.44Å; L132-I183 PolarHBondContact O-N 3.21Å
133V98.9Very high92Very high0 Ų024.5 Ų24.50%017%0.167CC..EExtended strand (participates in β ladder)trans-110.998.4177-173.80000108.9V48 F49 I50 T51 L61 N135 I183 Y303 I307V48-V133 HydrophobicContact CG1-CG2 3.92Å; F49-V133 PolarHBondContact O-N 2.95Å; I50-V133 HydrophobicContact CB-CB 4.34Å; I50-V133 HydrophobicContact CG1-CB 4.15Å; I50-V133 HydrophobicContact CG1-CG2 4.26Å; I50-V133 HydrophobicContact CG2-CB 4.11Å; I50-V133 HydrophobicContact CG2-CG1 4.21Å; T51-V133 PolarHBondContact N-O 3.01Å; T51-V133 PolarHBondContact OG1-O 3.27Å; L61-V133 HydrophobicContact CD2-CB 4.28Å; L61-V133 HydrophobicContact CD2-CG1 3.75Å; L61-V133 HydrophobicContact CD2-CG2 4.01Å; V133-N135 HydrophobicContact CG1-CB 4.04Å; V133-N135 PolarHBondContact O-N 2.84Å; V133-N135 VanDerWaalsContact O-N 3.09Å; V133-I183 CarbonylContact C-O 3.55Å; V133-I183 WeakPolarHBondContact CA-O 3.24Å; V133-I183 HydrophobicContact CG2-CD1 4.18Å; V133-Y303 HydrophobicContact CG1-CD1 3.88Å; V133-Y303 HydrophobicContact CG1-CE1 3.36Å; V133-I307 HydrophobicContact CG2-CD1 4.08Å; V133-I307 HydrophobicContact CG2-CG1 4.45Å
134N98.8Very high91.1Very high0 Ų022.7 Ų22.70%016%0.157CC..EExtended strand (participates in β ladder)trans-79.385.2172.4-68.8-59.8000108.8L132 Q164 V167 I183 F184 M185L132-N134 WeakPolarHBondContact CD2-ND2 3.36Å; N134-Q164 HydrophobicContact CB-CG 4.42Å; N134-Q164 VanDerWaalsContact CB-OE1 3.31Å; N134-Q164 PolarHBondContact O-OE1 3.41Å; N134-Q164 VanDerWaalsContact O-OE1 3.1Å; N134-V167 WeakPolarHBondContact OD1-CB 3.4Å; N134-V167 WeakPolarHBondContact OD1-CG1 3.47Å; N134-I183 PolarHBondContact N-O 3.15Å; N134-F184 HydrophobicContact CB-CD1 3.66Å; N134-F184 HydrophobicContact CB-CE1 4Å; N134-F184 HydrophobicContact CB-CG 4.28Å; N134-F184 WeakPolarHBondContact ND2-CE1 3.37Å; N134-F184 WeakPolarHBondContact ND2-CZ 3.5Å; N134-M185 WeakPolarHBondContact O-CB 3.39Å; N134-M185 PolarHBondContact O-N 2.96Å
135N98.6Very high90.4Very high17 Ų1726.8 Ų26.89%0.09118%0.179CC..  trans-104.4-23.8-177.1167.688.2000113.3T51 G52 G58 V133 G137 M185 Y303T51-N135 VanDerWaalsContact O-CB 3.25Å; T51-N135 WeakPolarHBondContact O-CB 3.39Å; T51-N135 PolarHBondContact O-ND2 3.44Å; T51-N135 PolarHBondContact OG1-N 3.02Å; G52-N135 PolarHBondContact O-ND2 3.31Å; G58-N135 VanDerWaalsContact CA-ND2 3.34Å; G58-N135 WeakPolarHBondContact CA-ND2 3.28Å; G58-N135 PolarHBondContact N-ND2 3.4Å; V133-N135 HydrophobicContact CG1-CB 4.04Å; V133-N135 PolarHBondContact O-N 2.84Å; V133-N135 VanDerWaalsContact O-N 3.09Å; N135-G137 PolarHBondContact O-N 2.82Å; N135-M185 HydrophobicContact CB-CB 4.5Å; N135-Y303 WeakPolarHBondContact CB-OH 3.32Å; N135-Y303 PolarHBondContact OD1-OH 3.4Å
136A96.7Very high89.8Confident12 Ų1227.3 Ų27.310%0.09916%0.162CC..  trans-54.1134.1179.900000112.3T51 I107T51-A136 PolarHBondContact O-N 3.47Å; T51-A136 WeakPolarHBondContact OG1-CB 3.49Å; T51-A136 PolarHBondContact OG1-N 3.2Å; T51-A136 VanDerWaalsContact OG1-N 3.11Å; I107-A136 HydrophobicContact CD1-CB 3.66Å; I107-A136 HydrophobicContact CG1-CB 4.34Å; I107-A136 HydrophobicContact CG2-CB 4.35Å
137G93.6Very high89.2Confident30 Ų3024 Ų2431%0.30913%0.133SC..  trans-172.3162.3177.200000112.5N135 N160 L237N135-G137 PolarHBondContact O-N 2.82Å; G137-N160 WeakPolarHBondContact CA-OD1 3.36Å; G137-L237 WeakPolarHBondContact O-CD1 3.44Å
138I90.3Very high88.7Confident54 Ų5424.2 Ų24.228%0.27713%0.133SC..  trans-127.7153.1176.759.4170.7000110.3V159 N160 Y200I138-V159 HydrophobicContact CD1-CB 4.15Å; I138-V159 HydrophobicContact CD1-CG2 3.87Å; I138-V159 HydrophobicContact CG1-CB 4.01Å; I138-V159 HydrophobicContact CG1-CG1 4.27Å; I138-V159 HydrophobicContact CG1-CG2 4.24Å; I138-V159 HydrophobicContact CG2-CG1 4.25Å; I138-N160 PolarHBondContact N-OD1 2.82Å; I138-N160 PolarHBondContact O-ND2 2.75Å; I138-N160 PolarHBondContact O-OD1 2.93Å; I138-Y200 VanDerWaalsContact O-CD2 3.27Å; I138-Y200 WeakPolarHBondContact O-CD2 3.33Å; I138-Y200 WeakPolarHBondContact O-CE2 3.44Å
139L83Confident88.4Confident27 Ų2724.2 Ų24.214%0.14114%0.137CC..  trans-72.1-43.7171-171.562.3000110.2L197 Y200 L237 P243L139-L197 HydrophobicContact CD1-CD2 4.4Å; L139-Y200 HydrophobicContact CD1-CD1 4.18Å; L139-Y200 HydrophobicContact CD1-CD2 3.92Å; L139-Y200 HydrophobicContact CD1-CE2 4.34Å; L139-Y200 HydrophobicContact CD1-CG 3.81Å; L139-Y200 WeakPolarHBondContact O-CB 3.29Å; L139-L237 HydrophobicContact CB-CD1 4.49Å; L139-L237 HydrophobicContact CB-CG 4.17Å; L139-P243 HydrophobicContact CD2-CB 4.12Å; L139-P243 HydrophobicContact CD2-CG 3.96Å
140G80.8Confident88.2Confident16 Ų1629.9 Ų29.917%0.16517%0.167CC..  trans76.9-168.6-172.200000112.2
141V79Confident88.1Confident3 Ų333.1 Ų33.12%0.01819%0.185CC..  trans-72.6133.5-179.91770000110.4L143 L148 D152 P199 L246V141-L143 HydrophobicContact CG1-CB 4.34Å; V141-L143 HydrophobicContact CG1-CD1 3.69Å; V141-L143 HydrophobicContact CG1-CG 3.75Å; V141-L148 HydrophobicContact CB-CD2 4.2Å; V141-L148 HydrophobicContact CG1-CD2 3.68Å; V141-D152 HydrophobicContact CB-CB 4.34Å; V141-D152 WeakPolarHBondContact CG2-OD1 3.46Å; V141-P199 WeakPolarHBondContact O-CG 3.35Å; V141-L246 HydrophobicContact CG2-CD2 3.85Å; V141-L246 HydrophobicContact CG2-CG 4.45Å
142S74.5Confident87.7Confident0 Ų033.3 Ų33.30%019%0.186CC..  trans-119.290.7178.8-580000111.2L196 Q265S142-L196 CarbonylContact C-O 3.59Å; S142-L196 WeakPolarHBondContact CA-O 3.49Å; S142-L196 VanDerWaalsContact CB-O 3.27Å; S142-L196 WeakPolarHBondContact CB-O 3.43Å; S142-Q265 PolarHBondContact O-NE2 3.33Å
143L76Confident87.5Confident1 Ų135.8 Ų35.81%0.00520%0.196CC..  trans-135.7167.2-178.1-68.9177.4000110.7V141 W147 L148 L196 C247 L253V141-L143 HydrophobicContact CG1-CB 4.34Å; V141-L143 HydrophobicContact CG1-CD1 3.69Å; V141-L143 HydrophobicContact CG1-CG 3.75Å; L143-W147 HydrophobicContact CB-CB 4.38Å; L143-W147 HydrophobicContact CD1-CB 4.4Å; L143-W147 HydrophobicContact CD2-CE3 4.13Å; L143-L148 HydrophobicContact CB-CD2 3.9Å; L143-L148 HydrophobicContact CB-CG 4.2Å; L143-L196 PolarHBondContact N-O 3.42Å; L143-C247 HydrophobicContact CD2-CB 4.49Å; L143-L253 HydrophobicContact CD2-CD1 3.79Å; L143-L253 HydrophobicContact CD2-CG 4.28Å
144P75.5Confident87.5Confident8 Ų841.7 Ų41.75%0.05222%0.218CC..  trans-57.1145.5165.8-19.333.6000110.4E146 W147 L148 L196 F261 L354P144-E146 VanDerWaalsContact C-N 3.26Å; P144-E146 HydrophobicContact CB-CG 4.17Å; P144-E146 PolarHBondContact O-N 3.4Å; P144-W147 HydrophobicContact CB-CD2 4.43Å; P144-W147 VanDerWaalsContact CD-CE3 3.42Å; P144-W147 HydrophobicContact CG-CD2 4.01Å; P144-W147 HydrophobicContact CG-CE3 3.86Å; P144-W147 HydrophobicContact CG-CH2 4.45Å; P144-W147 HydrophobicContact CG-CZ3 4.08Å; P144-W147 PolarHBondContact O-N 3.01Å; P144-L148 PolarHBondContact O-N 3.42Å; P144-L196 HydrophobicContact CB-CD2 4.18Å; P144-L196 HydrophobicContact CG-CD2 3.86Å; P144-F261 VanDerWaalsContact CD-CZ 3.43Å; P144-F261 HydrophobicContact CG-CE2 3.69Å; P144-F261 HydrophobicContact CG-CZ 3.6Å; P144-L354 HydrophobicContact CB-CD2 3.64Å; P144-L354 HydrophobicContact CG-CD2 3.59Å
145D81.1Confident87.2Confident110 Ų11046.4 Ų46.459%0.58824%0.24SC*.G310 helixtrans-58.5-37.2-175.9-172.865000113.2W147 L148 Y153D145-W147 PolarHBondContact O-N 3Å; D145-L148 PolarHBondContact O-N 3.41Å; D145-Y153 PolarHBondContact OD1-OH 2.83Å
146E78.4Confident87Confident83 Ų8345.6 Ų45.639%0.38824%0.236SC..G310 helixtrans-61-14.9175.756.5161.2-131.700114.3P144 L354 R358P144-E146 VanDerWaalsContact C-N 3.26Å; P144-E146 HydrophobicContact CB-CG 4.17Å; P144-E146 PolarHBondContact O-N 3.4Å; E146-L354 HydrophobicContact CG-CD1 4.42Å; E146-L354 HydrophobicContact CG-CD2 4.05Å; E146-L354 WeakPolarHBondContact OE1-CB 3.3Å; E146-L354 WeakPolarHBondContact OE1-CD2 3.48Å; E146-R358 IonicContact OE2-CZ 3.15Å; E146-R358 IonicContact OE2-NE 2.98Å; E146-R358 IonicContact OE2-NH2 2.81Å; E146-R358 PolarHBondContact OE2-NH2 3.46Å
147W79Confident87.1Confident36 Ų3647.4 Ų47.414%0.13624%0.243CC..G310 helixtrans-106.7-7176.9-57.7-8000112.8L143 P144 D145 R252 L253 F261 I353 L354 R357L143-W147 HydrophobicContact CB-CB 4.38Å; L143-W147 HydrophobicContact CD1-CB 4.4Å; L143-W147 HydrophobicContact CD2-CE3 4.13Å; P144-W147 HydrophobicContact CB-CD2 4.43Å; P144-W147 VanDerWaalsContact CD-CE3 3.42Å; P144-W147 HydrophobicContact CG-CD2 4.01Å; P144-W147 HydrophobicContact CG-CE3 3.86Å; P144-W147 HydrophobicContact CG-CH2 4.45Å; P144-W147 HydrophobicContact CG-CZ3 4.08Å; P144-W147 PolarHBondContact O-N 3.01Å; D145-W147 PolarHBondContact O-N 3Å; W147-R252 PolarHBondContact O-NH2 3Å; W147-L253 HydrophobicContact CE3-CD2 4.45Å; W147-L253 HydrophobicContact CZ3-CD2 3.97Å; W147-F261 HydrophobicContact CH2-CE2 4.46Å; W147-F261 HydrophobicContact CZ3-CD2 4.3Å; W147-F261 HydrophobicContact CZ3-CE2 4.13Å; W147-I353 HydrophobicContact CH2-CG2 3.44Å; W147-I353 VanDerWaalsContact CH2-CG2 3.44Å; W147-I353 HydrophobicContact CZ2-CG2 3.86Å; W147-L354 HydrophobicContact CH2-CD2 4.46Å; W147-L354 HydrophobicContact CZ2-CD2 3.72Å; W147-R357 HydrophobicContact CZ2-CB 4.31Å
148L85.3Confident87.3Confident24 Ų2449.1 Ų49.113%0.12624%0.243CC..  trans-82.6148.5177.8-69.4173.7000110.4V141 L143 P144 D145 D152 Y153 P199V141-L148 HydrophobicContact CB-CD2 4.2Å; V141-L148 HydrophobicContact CG1-CD2 3.68Å; L143-L148 HydrophobicContact CB-CD2 3.9Å; L143-L148 HydrophobicContact CB-CG 4.2Å; P144-L148 PolarHBondContact O-N 3.42Å; D145-L148 PolarHBondContact O-N 3.41Å; L148-D152 WeakPolarHBondContact CA-OD2 3.39Å; L148-D152 HydrophobicContact CD2-CB 3.97Å; L148-Y153 HydrophobicContact CB-CE2 3.94Å; L148-Y153 HydrophobicContact CD1-CE2 3.97Å; L148-P199 VanDerWaalsContact CD1-CD 3.5Å; L148-P199 HydrophobicContact CD1-CG 3.78Å; L148-P199 HydrophobicContact CD2-CG 3.99Å
149T91.9Very high87.7Confident67 Ų6747.4 Ų47.441%0.41124%0.235SC..  trans-106.1161.3173.165.50000109.5D151 D152 Y153T149-D151 PolarHBondContact O-N 2.93Å; T149-D151 PolarHBondContact OG1-N 2.88Å; T149-D152 PolarHBondContact N-OD2 2.81Å; T149-D152 WeakPolarHBondContact O-CB 3.45Å; T149-D152 PolarHBondContact O-N 3.29Å; T149-D152 VanDerWaalsContact O-N 3.08Å; T149-D152 VanDerWaalsContact OG1-CG 3.3Å; T149-D152 PolarHBondContact OG1-N 3.3Å; T149-D152 PolarHBondContact OG1-OD2 2.98Å; T149-Y153 WeakPolarHBondContact O-CD2 3.28Å
150I95.4Very high88.4Confident122 Ų12246.1 Ų46.163%0.62623%0.228SC*.Hα-helixtrans-59.4-30.5172.1-62.8-58.9000111.5D152 Y153 R154I150-D152 VanDerWaalsContact C-N 3.32Å; I150-D152 PolarHBondContact O-N 3.48Å; I150-Y153 PolarHBondContact O-N 3.07Å; I150-R154 WeakPolarHBondContact O-CB 3.4Å; I150-R154 PolarHBondContact O-N 3.15Å
151D94.8Very high89.2Confident85 Ų8547 Ų4746%0.45523%0.227SC..Hα-helixtrans-65.7-32.7176.3-74.9-49.9000112.9T149 Y153 R154 Q155T149-D151 PolarHBondContact O-N 2.93Å; T149-D151 PolarHBondContact OG1-N 2.88Å; D151-Y153 VanDerWaalsContact C-N 3.34Å; D151-Y153 PolarHBondContact O-N 2.99Å; D151-R154 PolarHBondContact O-N 2.61Å; D151-R154 IonicContact OD1-CZ 2.84Å; D151-R154 IonicContact OD1-NH1 2.73Å; D151-R154 PolarHBondContact OD1-NH1 2.81Å; D151-Q155 WeakPolarHBondContact O-CB 3.44Å; D151-Q155 VanDerWaalsContact O-CG 3.27Å; D151-Q155 WeakPolarHBondContact O-CG 3.21Å; D151-Q155 PolarHBondContact O-N 2.81Å
152D90.2Very high90.2Very high5 Ų551 Ų513%0.02725%0.245CC..Hα-helixtrans-62.4-44174.6-62.7-47000111.4V141 L148 T149 I150 A156 P199 R252V141-D152 HydrophobicContact CB-CB 4.34Å; V141-D152 WeakPolarHBondContact CG2-OD1 3.46Å; L148-D152 WeakPolarHBondContact CA-OD2 3.39Å; L148-D152 HydrophobicContact CD2-CB 3.97Å; T149-D152 PolarHBondContact N-OD2 2.81Å; T149-D152 WeakPolarHBondContact O-CB 3.45Å; T149-D152 PolarHBondContact O-N 3.29Å; T149-D152 VanDerWaalsContact O-N 3.08Å; T149-D152 VanDerWaalsContact OG1-CG 3.3Å; T149-D152 PolarHBondContact OG1-N 3.3Å; T149-D152 PolarHBondContact OG1-OD2 2.98Å; I150-D152 VanDerWaalsContact C-N 3.32Å; I150-D152 PolarHBondContact O-N 3.48Å; D152-A156 PolarHBondContact O-N 2.98Å; D152-P199 HydrophobicContact CB-CG 4.17Å; D152-R252 IonicContact OD1-CZ 2.97Å; D152-R252 IonicContact OD1-NH1 3.38Å; D152-R252 PolarHBondContact OD1-NH1 2.73Å; D152-R252 IonicContact OD1-NH2 3.55Å; D152-R252 IonicContact OD2-CZ 2.75Å; D152-R252 VanDerWaalsContact OD2-CZ 3.3Å; D152-R252 IonicContact OD2-NH1 3.58Å; D152-R252 PolarHBondContact OD2-NH1 3.35Å; D152-R252 IonicContact OD2-NH2 2.72Å; D152-R252 PolarHBondContact OD2-NH2 2.86Å
153Y96Very high91.3Very high51 Ų5151 Ų5120%0.225%0.245CC..Hα-helixtrans-65.4-44.1174.3-73.9-83.4000111.3D145 L148 T149 I150 D151 Q155 A156 M157 G198 P199 T202D145-Y153 PolarHBondContact OD1-OH 2.83Å; L148-Y153 HydrophobicContact CB-CE2 3.94Å; L148-Y153 HydrophobicContact CD1-CE2 3.97Å; T149-Y153 WeakPolarHBondContact O-CD2 3.28Å; I150-Y153 PolarHBondContact O-N 3.07Å; D151-Y153 VanDerWaalsContact C-N 3.34Å; D151-Y153 PolarHBondContact O-N 2.99Å; Y153-Q155 PolarHBondContact O-N 3.45Å; Y153-A156 PolarHBondContact O-N 3.36Å; Y153-M157 WeakPolarHBondContact O-CB 3.46Å; Y153-M157 WeakPolarHBondContact O-CG 3.19Å; Y153-M157 PolarHBondContact O-N 2.89Å; Y153-G198 VanDerWaalsContact CE1-C 3.45Å; Y153-P199 HydrophobicContact CD1-CB 4.25Å; Y153-P199 HydrophobicContact CD1-CG 4.19Å; Y153-P199 HydrophobicContact CE1-CG 4.16Å; Y153-P199 HydrophobicContact CG-CG 4.37Å; Y153-T202 HydrophobicContact CE1-CG2 4.16Å
154R97.7Very high92.4Very high124 Ų12451 Ų5147%0.46825%0.245SC..Hα-helixtrans-60.1-47.6179.5-172.6178.7-72117.2-1111.5I150 D151 A156 M157 E158I150-R154 WeakPolarHBondContact O-CB 3.4Å; I150-R154 PolarHBondContact O-N 3.15Å; D151-R154 PolarHBondContact O-N 2.61Å; D151-R154 IonicContact OD1-CZ 2.84Å; D151-R154 IonicContact OD1-NH1 2.73Å; D151-R154 PolarHBondContact OD1-NH1 2.81Å; R154-A156 VanDerWaalsContact C-N 3.34Å; R154-A156 PolarHBondContact O-N 2.75Å; R154-M157 PolarHBondContact O-N 2.97Å; R154-M157 VanDerWaalsContact O-N 3.14Å; R154-E158 HydrophobicContact CG-CG 4.45Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 3.48Å
155Q93.7Very high93.5Very high100 Ų10051.8 Ų51.847%0.46725%0.248SC..Hα-helixtrans-58.8-44.3179.1-73.717434.900112.3D151 Y153D151-Q155 WeakPolarHBondContact O-CB 3.44Å; D151-Q155 VanDerWaalsContact O-CG 3.27Å; D151-Q155 WeakPolarHBondContact O-CG 3.21Å; D151-Q155 PolarHBondContact O-N 2.81Å; Y153-Q155 PolarHBondContact O-N 3.45Å
156A94Very high94.4Very high0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-65-41.8176.200000111.5D152 Y153 R154 V159 N160 P199 T203D152-A156 PolarHBondContact O-N 2.98Å; Y153-A156 PolarHBondContact O-N 3.36Å; R154-A156 VanDerWaalsContact C-N 3.34Å; R154-A156 PolarHBondContact O-N 2.75Å; A156-V159 PolarHBondContact O-N 3.09Å; A156-N160 VanDerWaalsContact O-CB 3.26Å; A156-N160 WeakPolarHBondContact O-CB 3.31Å; A156-N160 PolarHBondContact O-N 2.78Å; A156-P199 HydrophobicContact CB-CB 3.84Å; A156-T203 VanDerWaalsContact C-CG2 3.45Å; A156-T203 HydrophobicContact CB-CG2 3.75Å
157M98.1Very high95.3Very high49 Ų4944.8 Ų44.824%0.24121%0.21CC..Hα-helixtrans-63.8-41.4177.7-72.7-71.6-112.800113.3Y153 R154 V159 F161 F162 T203 A206Y153-M157 WeakPolarHBondContact O-CB 3.46Å; Y153-M157 WeakPolarHBondContact O-CG 3.19Å; Y153-M157 PolarHBondContact O-N 2.89Å; R154-M157 PolarHBondContact O-N 2.97Å; R154-M157 VanDerWaalsContact O-N 3.14Å; M157-V159 VanDerWaalsContact C-N 3.26Å; M157-V159 PolarHBondContact O-N 3.43Å; M157-F161 HydrophobicContact CE-CD1 4.37Å; M157-F161 CarbonylContact O-C 3.57Å; M157-F161 WeakPolarHBondContact O-CA 3.47Å; M157-F161 WeakPolarHBondContact O-CB 3.43Å; M157-F161 PolarHBondContact O-N 2.82Å; M157-F161 HydrophobicContact SD-CB 3.96Å; M157-F161 HydrophobicContact SD-CD1 4.29Å; M157-F161 HydrophobicContact SD-CG 4.34Å; M157-F162 HydrophobicContact CB-CD2 4.23Å; M157-F162 HydrophobicContact CB-CE2 4.1Å; M157-F162 PolarHBondContact O-N 3.22Å; M157-T203 HydrophobicContact CB-CG2 4.42Å; M157-T203 HydrophobicContact CG-CG2 3.85Å; M157-T203 HydrophobicContact SD-CG2 3.55Å; M157-T203 VanDerWaalsContact SD-CG2 3.55Å; M157-A206 HydrophobicContact CE-CB 4.35Å
158E98.4Very high96.3Very high67 Ų6743 Ų4331%0.31320%0.203SC..Iπ-helixtrans-57.5-39.6179.5-75.3-50.9137.400112.5T108 R154 F162 G163T108-E158 HydrophobicContact CG2-CB 4.32Å; R154-E158 HydrophobicContact CG-CG 4.45Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 3.48Å; E158-F162 WeakPolarHBondContact OE1-CD2 3.13Å; E158-G163 WeakPolarHBondContact O-CA 3.47Å; E158-G163 PolarHBondContact O-N 3.41Å
159V97.9Very high96.9Very high17 Ų1747 Ų4710%0.10322%0.222CC..Iπ-helixtrans-87.5-57.3179.8-175.80000111.4I107 T108 I138 A156 M157 F161I107-V159 HydrophobicContact CD1-CG1 3.96Å; I107-V159 VanDerWaalsContact CD1-O 3.27Å; I107-V159 WeakPolarHBondContact CD1-O 3.28Å; I107-V159 HydrophobicContact CG1-CG1 4.35Å; T108-V159 HydrophobicContact CG2-CB 4.48Å; T108-V159 HydrophobicContact CG2-CG2 3.69Å; I138-V159 HydrophobicContact CD1-CB 4.15Å; I138-V159 HydrophobicContact CD1-CG2 3.87Å; I138-V159 HydrophobicContact CG1-CB 4.01Å; I138-V159 HydrophobicContact CG1-CG1 4.27Å; I138-V159 HydrophobicContact CG1-CG2 4.24Å; I138-V159 HydrophobicContact CG2-CG1 4.25Å; A156-V159 PolarHBondContact O-N 3.09Å; M157-V159 VanDerWaalsContact C-N 3.26Å; M157-V159 PolarHBondContact O-N 3.43Å; V159-F161 VanDerWaalsContact C-N 3.31Å; V159-F161 PolarHBondContact O-N 3.36Å
160N98.1Very high97.3Very high0 Ų045 Ų450%021%0.209CC..Iπ-helixtrans-75.8-20.5-167.4-69.1-13.5000113.4G137 I138 A156 Q164 T203G137-N160 WeakPolarHBondContact CA-OD1 3.36Å; I138-N160 PolarHBondContact N-OD1 2.82Å; I138-N160 PolarHBondContact O-ND2 2.75Å; I138-N160 PolarHBondContact O-OD1 2.93Å; A156-N160 VanDerWaalsContact O-CB 3.26Å; A156-N160 WeakPolarHBondContact O-CB 3.31Å; A156-N160 PolarHBondContact O-N 2.78Å; N160-Q164 PolarHBondContact O-NE2 2.89Å; N160-T203 HydrophobicContact CB-CG2 3.99Å; N160-T203 WeakPolarHBondContact CB-OG1 3.3Å; N160-T203 PolarHBondContact ND2-OG1 3.04Å; N160-T203 VanDerWaalsContact ND2-OG1 3.07Å
161F98.8Very high97.4Very high34 Ų3439.2 Ų39.215%0.14918%0.179CC..Iπ-helixtrans-119.8-70.2-176.9-176.4-118000111.3M157 V159 G163 Q164 I165 A206 L207M157-F161 HydrophobicContact CE-CD1 4.37Å; M157-F161 CarbonylContact O-C 3.57Å; M157-F161 WeakPolarHBondContact O-CA 3.47Å; M157-F161 WeakPolarHBondContact O-CB 3.43Å; M157-F161 PolarHBondContact O-N 2.82Å; M157-F161 HydrophobicContact SD-CB 3.96Å; M157-F161 HydrophobicContact SD-CD1 4.29Å; M157-F161 HydrophobicContact SD-CG 4.34Å; V159-F161 VanDerWaalsContact C-N 3.31Å; V159-F161 PolarHBondContact O-N 3.36Å; F161-G163 VanDerWaalsContact C-N 3.35Å; F161-G163 PolarHBondContact O-N 2.82Å; F161-Q164 PolarHBondContact O-N 3.4Å; F161-Q164 VanDerWaalsContact O-N 3.15Å; F161-I165 HydrophobicContact CD1-CD1 4.26Å; F161-I165 HydrophobicContact CD2-CD1 4.11Å; F161-I165 HydrophobicContact CE1-CD1 3.82Å; F161-I165 HydrophobicContact CE2-CD1 3.64Å; F161-I165 HydrophobicContact CE2-CG1 4.46Å; F161-I165 HydrophobicContact CG-CD1 4.4Å; F161-I165 HydrophobicContact CZ-CD1 3.49Å; F161-I165 VanDerWaalsContact CZ-CD1 3.49Å; F161-I165 WeakPolarHBondContact O-CG1 3.44Å; F161-I165 PolarHBondContact O-N 2.82Å; F161-A206 HydrophobicContact CD2-CB 3.79Å; F161-A206 VanDerWaalsContact CE2-C 3.49Å; F161-A206 HydrophobicContact CE2-CB 3.79Å; F161-A206 WeakPolarHBondContact CE2-O 3.5Å; F161-A206 HydrophobicContact CG-CB 4.16Å; F161-A206 HydrophobicContact CZ-CB 4.17Å; F161-L207 HydrophobicContact CD2-CB 4.39Å
162F98.8Very high97.6Very high88 Ų8837.9 Ų37.939%0.38617%0.168SC..Iπ-helixtrans-61.8-41.8-175.9-65-57.9000112.2M157 E158 Q164 I165 R166M157-F162 HydrophobicContact CB-CD2 4.23Å; M157-F162 HydrophobicContact CB-CE2 4.1Å; M157-F162 PolarHBondContact O-N 3.22Å; E158-F162 WeakPolarHBondContact OE1-CD2 3.13Å; F162-Q164 VanDerWaalsContact C-N 3.35Å; F162-Q164 PolarHBondContact O-N 3.36Å; F162-I165 PolarHBondContact O-N 3.4Å; F162-R166 VanDerWaalsContact O-CB 3.3Å; F162-R166 WeakPolarHBondContact O-CB 3.48Å; F162-R166 PolarHBondContact O-N 3.05Å
163G98.8Very high98Very high0 Ų040.5 Ų40.50%019%0.185CC..Iπ-helixtrans-61.9-39.3175.900000113.4I107 E158 F161 R166 V167I107-G163 VanDerWaalsContact O-CA 3.22Å; I107-G163 WeakPolarHBondContact O-CA 2.97Å; E158-G163 WeakPolarHBondContact O-CA 3.47Å; E158-G163 PolarHBondContact O-N 3.41Å; F161-G163 VanDerWaalsContact C-N 3.35Å; F161-G163 PolarHBondContact O-N 2.82Å; G163-R166 WeakPolarHBondContact O-CB 3.31Å; G163-R166 PolarHBondContact O-N 3.42Å; G163-V167 WeakPolarHBondContact O-CG2 3.42Å; G163-V167 PolarHBondContact O-N 3.1Å; G163-V167 VanDerWaalsContact O-N 3.11Å
164Q98.7Very high98.1Very high0 Ų038.9 Ų38.90%018%0.18CC..Hα-helixtrans-68.2-40.3175-65.1-157.862.800112.2N134 N160 F161 F162 R166 A168 F184 L207N134-Q164 HydrophobicContact CB-CG 4.42Å; N134-Q164 VanDerWaalsContact CB-OE1 3.31Å; N134-Q164 PolarHBondContact O-OE1 3.41Å; N134-Q164 VanDerWaalsContact O-OE1 3.1Å; N160-Q164 PolarHBondContact O-NE2 2.89Å; F161-Q164 PolarHBondContact O-N 3.4Å; F161-Q164 VanDerWaalsContact O-N 3.15Å; F162-Q164 VanDerWaalsContact C-N 3.35Å; F162-Q164 PolarHBondContact O-N 3.36Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; Q164-A168 VanDerWaalsContact O-CB 3.28Å; Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 3.4Å; Q164-F184 HydrophobicContact CB-CD1 4.3Å; Q164-F184 HydrophobicContact CB-CE1 4.33Å; Q164-L207 HydrophobicContact CB-CD1 4.05Å
165I98.8Very high98.1Very high25 Ų2533 Ų3313%0.12816%0.157CC..Hα-helixtrans-61-46174.1-68.3178.5000110.3F161 F162 V167 A168 Q169 Y210F161-I165 HydrophobicContact CD1-CD1 4.26Å; F161-I165 HydrophobicContact CD2-CD1 4.11Å; F161-I165 HydrophobicContact CE1-CD1 3.82Å; F161-I165 HydrophobicContact CE2-CD1 3.64Å; F161-I165 HydrophobicContact CE2-CG1 4.46Å; F161-I165 HydrophobicContact CG-CD1 4.4Å; F161-I165 HydrophobicContact CZ-CD1 3.49Å; F161-I165 VanDerWaalsContact CZ-CD1 3.49Å; F161-I165 WeakPolarHBondContact O-CG1 3.44Å; F161-I165 PolarHBondContact O-N 2.82Å; F162-I165 PolarHBondContact O-N 3.4Å; I165-V167 PolarHBondContact O-N 2.93Å; I165-A168 PolarHBondContact O-N 3.17Å; I165-Q169 HydrophobicContact CG2-CG 4.13Å; I165-Q169 WeakPolarHBondContact O-CB 3.34Å; I165-Q169 WeakPolarHBondContact O-CG 3.21Å; I165-Q169 PolarHBondContact O-N 3.45Å; I165-Y210 HydrophobicContact CB-CE2 4.47Å; I165-Y210 HydrophobicContact CD1-CD2 3.79Å; I165-Y210 HydrophobicContact CD1-CE2 4.03Å; I165-Y210 HydrophobicContact CD1-CG 4.09Å; I165-Y210 HydrophobicContact CG1-CD1 3.95Å; I165-Y210 HydrophobicContact CG1-CD2 3.85Å; I165-Y210 HydrophobicContact CG1-CE1 3.82Å; I165-Y210 HydrophobicContact CG1-CE2 3.73Å; I165-Y210 HydrophobicContact CG1-CG 3.96Å; I165-Y210 HydrophobicContact CG2-CE2 4.17Å
166R98.8Very high98.4Very high46 Ų4630.1 Ų30.117%0.17414%0.144CC..Hα-helixtrans-56.3-52-179.7-173.9179-70.6104.60.3111.6I107 T108 Q110 V113 F162 G163 Q164 A168 Q169 T170I107-R166 PolarHBondContact O-NH1 2.96Å; T108-R166 PolarHBondContact O-NH1 2.9Å; Q110-R166 VanDerWaalsContact OE1-CD 3.26Å; V113-R166 HydrophobicContact CB-CG 4.4Å; V113-R166 HydrophobicContact CG1-CG 4.4Å; V113-R166 HydrophobicContact CG2-CG 4.12Å; F162-R166 VanDerWaalsContact O-CB 3.3Å; F162-R166 WeakPolarHBondContact O-CB 3.48Å; F162-R166 PolarHBondContact O-N 3.05Å; G163-R166 WeakPolarHBondContact O-CB 3.31Å; G163-R166 PolarHBondContact O-N 3.42Å; Q164-R166 VanDerWaalsContact C-N 3.34Å; R166-A168 PolarHBondContact O-N 3.27Å; R166-Q169 PolarHBondContact O-N 3.09Å; R166-T170 PolarHBondContact O-N 3.26Å; R166-T170 PolarHBondContact O-OG1 3.43Å; R166-T170 VanDerWaalsContact O-OG1 3.07Å
167V98.9Very high98.5Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-61.5-45.8176.7178.20000110.8F49 T51 I107 V113 L132 N134 G163 I165 Q169 T170 F171F49-V167 HydrophobicContact CE1-CG1 4.26Å; T51-V167 HydrophobicContact CG2-CG1 4.04Å; T51-V167 HydrophobicContact CG2-CG2 4.37Å; I107-V167 HydrophobicContact CB-CG2 3.95Å; I107-V167 HydrophobicContact CG2-CG2 3.63Å; V113-V167 HydrophobicContact CG1-CG2 4.19Å; V113-V167 HydrophobicContact CG2-CG2 3.89Å; L132-V167 HydrophobicContact CD1-CG1 3.76Å; L132-V167 HydrophobicContact CD2-CG1 4.28Å; N134-V167 WeakPolarHBondContact OD1-CB 3.4Å; N134-V167 WeakPolarHBondContact OD1-CG1 3.47Å; G163-V167 WeakPolarHBondContact O-CG2 3.42Å; G163-V167 PolarHBondContact O-N 3.1Å; G163-V167 VanDerWaalsContact O-N 3.11Å; I165-V167 PolarHBondContact O-N 2.93Å; V167-Q169 PolarHBondContact O-N 3.34Å; V167-T170 PolarHBondContact O-N 3.4Å; V167-F171 HydrophobicContact CG1-CD2 3.89Å; V167-F171 HydrophobicContact CG1-CE2 4.27Å; V167-F171 WeakPolarHBondContact O-CB 3.42Å; V167-F171 WeakPolarHBondContact O-CD2 3.23Å; V167-F171 PolarHBondContact O-N 3.48Å
168A98.8Very high98.5Very high0 Ų034.8 Ų34.80%017%0.171CC..Hα-helixtrans-60.3-42.7179.800000113.1Q164 I165 R166 R172 M182 F184 Y210Q164-A168 VanDerWaalsContact O-CB 3.28Å; Q164-A168 WeakPolarHBondContact O-CB 3.48Å; Q164-A168 PolarHBondContact O-N 3.4Å; I165-A168 PolarHBondContact O-N 3.17Å; R166-A168 PolarHBondContact O-N 3.27Å; A168-R172 WeakPolarHBondContact O-CB 3.35Å; A168-R172 PolarHBondContact O-N 3.33Å; A168-R172 VanDerWaalsContact O-N 3.08Å; A168-M182 HydrophobicContact CB-SD 4.25Å; A168-M182 WeakPolarHBondContact O-CE 3.34Å; A168-F184 HydrophobicContact CB-CE1 3.91Å; A168-F184 HydrophobicContact CB-CZ 3.56Å; A168-Y210 HydrophobicContact CB-CE1 4.5Å
169Q98.7Very high98.4Very high108 Ų10836.6 Ų36.651%0.50518%0.179SC..Hα-helixtrans-67.2-47.8177.7-74.6179.1-23.800111.5I165 R166 V167 F171 R172I165-Q169 HydrophobicContact CG2-CG 4.13Å; I165-Q169 WeakPolarHBondContact O-CB 3.34Å; I165-Q169 WeakPolarHBondContact O-CG 3.21Å; I165-Q169 PolarHBondContact O-N 3.45Å; R166-Q169 PolarHBondContact O-N 3.09Å; V167-Q169 PolarHBondContact O-N 3.34Å; Q169-F171 PolarHBondContact O-N 3.09Å; Q169-R172 WeakPolarHBondContact O-CB 3.44Å; Q169-R172 PolarHBondContact O-N 3.25Å
170T98.9Very high98.5Very high25 Ų2535.8 Ų35.815%0.15317%0.174CC..Hα-helixtrans-62.9-41.3-178.9-58.20000112.1V113 Y117 R166 V167 P173V113-T170 HydrophobicContact CG1-CG2 3.91Å; Y117-T170 HydrophobicContact CD2-CG2 4.07Å; Y117-T170 WeakPolarHBondContact CD2-O 3.47Å; Y117-T170 VanDerWaalsContact CE2-O 3.25Å; Y117-T170 WeakPolarHBondContact CE2-O 3.41Å; Y117-T170 HydrophobicContact CG-CG2 3.91Å; R166-T170 PolarHBondContact O-N 3.26Å; R166-T170 PolarHBondContact O-OG1 3.43Å; R166-T170 VanDerWaalsContact O-OG1 3.07Å; V167-T170 PolarHBondContact O-N 3.4Å; T170-P173 WeakPolarHBondContact O-CD 3.35Å
171F98.8Very high98.5Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-85.4-9.8-178.2-79.8-96.2000114.4F49 V113 A116 Y117 V120 L129 L132 V167 Q169 P173 M174 L175F49-F171 HydrophobicContact CD1-CE1 4.13Å; F49-F171 HydrophobicContact CD1-CE2 4.37Å; F49-F171 HydrophobicContact CD1-CZ 4.01Å; F49-F171 HydrophobicContact CD2-CE1 4.03Å; F49-F171 HydrophobicContact CD2-CZ 4.04Å; F49-F171 HydrophobicContact CE1-CE1 4.29Å; F49-F171 AromaticContact CE1-CE2 3.87Å; F49-F171 HydrophobicContact CE1-CE2 3.87Å; F49-F171 AromaticContact CE1-CZ 3.69Å; F49-F171 HydrophobicContact CE1-CZ 3.69Å; F49-F171 HydrophobicContact CE2-CE1 4.23Å; F49-F171 AromaticContact CE2-CZ 3.77Å; F49-F171 HydrophobicContact CE2-CZ 3.77Å; F49-F171 AromaticContact CG-CE1 3.98Å; F49-F171 HydrophobicContact CG-CE1 3.98Å; F49-F171 HydrophobicContact CG-CZ 4.15Å; F49-F171 HydrophobicContact CZ-CE1 4.33Å; F49-F171 HydrophobicContact CZ-CE2 4.03Å; F49-F171 AromaticContact CZ-CZ 3.56Å; F49-F171 HydrophobicContact CZ-CZ 3.56Å; V113-F171 HydrophobicContact CG1-CE2 4.35Å; A116-F171 HydrophobicContact CB-CZ 4.33Å; Y117-F171 HydrophobicContact CD2-CD1 4.07Å; Y117-F171 HydrophobicContact CD2-CD2 4.47Å; Y117-F171 HydrophobicContact CD2-CE1 4.29Å; Y117-F171 HydrophobicContact CD2-CG 4.19Å; V120-F171 HydrophobicContact CB-CE1 4.09Å; V120-F171 HydrophobicContact CG1-CE1 4.29Å; V120-F171 HydrophobicContact CG2-CE1 3.92Å; V120-F171 HydrophobicContact CG2-CZ 4.26Å; L129-F171 HydrophobicContact CD2-CD1 3.64Å; L129-F171 HydrophobicContact CD2-CE1 4.41Å; L132-F171 HydrophobicContact CD1-CG 4.47Å; L132-F171 HydrophobicContact CD2-CB 3.9Å; V167-F171 HydrophobicContact CG1-CD2 3.89Å; V167-F171 HydrophobicContact CG1-CE2 4.27Å; V167-F171 WeakPolarHBondContact O-CB 3.42Å; V167-F171 WeakPolarHBondContact O-CD2 3.23Å; V167-F171 PolarHBondContact O-N 3.48Å; Q169-F171 PolarHBondContact O-N 3.09Å; F171-P173 VanDerWaalsContact C-CD 3.45Å; F171-M174 HydrophobicContact CD1-SD 4.37Å; F171-M174 PolarHBondContact O-N 3.43Å; F171-L175 PolarHBondContact O-N 2.75Å
172R98.5Very high98.5Very high57 Ų5734.8 Ų34.822%0.21517%0.169CC..Hα-helixtrans-49.8-48-179.1-177.2-171-59.6-163.4-4.6113.6A168 Q169 M174 L175 E176 M182 L218A168-R172 WeakPolarHBondContact O-CB 3.35Å; A168-R172 PolarHBondContact O-N 3.33Å; A168-R172 VanDerWaalsContact O-N 3.08Å; Q169-R172 WeakPolarHBondContact O-CB 3.44Å; Q169-R172 PolarHBondContact O-N 3.25Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; R172-L175 PolarHBondContact O-N 3.43Å; R172-E176 WeakPolarHBondContact CD-OE1 3.31Å; R172-E176 HydrophobicContact CG-CG 4.06Å; R172-E176 VanDerWaalsContact CG-OE1 3.28Å; R172-E176 WeakPolarHBondContact CG-OE1 3.39Å; R172-E176 PolarHBondContact O-N 2.81Å; R172-M182 HydrophobicContact CB-CE 3.88Å; R172-M182 HydrophobicContact CG-CE 4.07Å; R172-L218 HydrophobicContact CG-CD2 4.39Å
173P98.2Very high98.5Very high59 Ų5930.6 Ų30.638%0.38315%0.151SC..Hα-helixtrans-59.6-36.4-175.1-2536.2000113.4T170 F171 N177T170-P173 WeakPolarHBondContact O-CD 3.35Å; F171-P173 VanDerWaalsContact C-CD 3.45Å; P173-N177 PolarHBondContact O-N 3.37Å; P173-N177 VanDerWaalsContact O-N 3.16Å; P173-N177 PolarHBondContact O-ND2 2.98Å
174M98.7Very high98.5Very high17 Ų1730.6 Ų30.68%0.08415%0.151CC..Hα-helixtrans-67.3-37.2176.6-74.5179.8175.100112.6Y117 V120 R121 L124 L129 F171 R172 N177 S178Y117-M174 HydrophobicContact CD2-CE 3.91Å; Y117-M174 HydrophobicContact CD2-SD 4.02Å; Y117-M174 HydrophobicContact CE1-CE 4.23Å; Y117-M174 HydrophobicContact CE2-CE 3.55Å; Y117-M174 HydrophobicContact CE2-CG 3.66Å; Y117-M174 HydrophobicContact CE2-SD 3.66Å; Y117-M174 HydrophobicContact CG-CE 4.4Å; V120-M174 HydrophobicContact CG1-CE 4.42Å; V120-M174 HydrophobicContact CG1-SD 4.1Å; R121-M174 VanDerWaalsContact CA-CE 3.43Å; R121-M174 HydrophobicContact CB-CE 3.28Å; R121-M174 HydrophobicContact CG-CE 3.65Å; L124-M174 HydrophobicContact CD1-CE 4.27Å; L124-M174 HydrophobicContact CD1-SD 4.16Å; L129-M174 HydrophobicContact CB-CB 4.05Å; L129-M174 HydrophobicContact CB-SD 4.36Å; L129-M174 HydrophobicContact CD2-CB 3.77Å; L129-M174 HydrophobicContact CD2-SD 3.86Å; F171-M174 HydrophobicContact CD1-SD 4.37Å; F171-M174 PolarHBondContact O-N 3.43Å; R172-M174 VanDerWaalsContact C-N 3.27Å; R172-M174 PolarHBondContact O-N 2.95Å; M174-N177 PolarHBondContact O-N 3.26Å; M174-S178 PolarHBondContact O-N 3.44Å; M174-S178 PolarHBondContact O-OG 3.11Å
175L98.6Very high98.4Very high0 Ų031.2 Ų31.20%015%0.154CC..Hα-helixtrans-74.2-36179.2-65.4166.9000111.9L129 L132 F171 R172 N177 S178 H179 G180 M182 V223L129-L175 HydrophobicContact CD2-CD2 4.12Å; L129-L175 HydrophobicContact CD2-CG 4.2Å; L129-L175 HydrophobicContact CG-CD2 4Å; L132-L175 HydrophobicContact CB-CD1 3.7Å; L132-L175 HydrophobicContact CB-CD2 4.34Å; L132-L175 HydrophobicContact CD2-CD1 4.09Å; F171-L175 PolarHBondContact O-N 2.75Å; R172-L175 PolarHBondContact O-N 3.43Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-S178 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-OG 3.42Å; L175-H179 WeakPolarHBondContact O-CA 3.39Å; L175-H179 PolarHBondContact O-N 3.28Å; L175-G180 PolarHBondContact O-N 3.37Å; L175-M182 HydrophobicContact CD1-CE 3.42Å; L175-M182 VanDerWaalsContact CD1-CE 3.42Å; L175-M182 HydrophobicContact CD1-CG 3.44Å; L175-M182 VanDerWaalsContact CD1-CG 3.44Å; L175-M182 HydrophobicContact CD1-SD 4.24Å; L175-V223 HydrophobicContact CB-CG1 4.12Å; L175-V223 HydrophobicContact CB-CG2 4.22Å; L175-V223 WeakPolarHBondContact O-CG2 3.4Å
176E98.1Very high98.3Very high40 Ų4030 Ų3019%0.18715%0.148CC..Hα-helixtrans-61.1-42.1172.3-69.7-171.4-163.300110.9R172 S178 H179 R221 V223R172-E176 WeakPolarHBondContact CD-OE1 3.31Å; R172-E176 HydrophobicContact CG-CG 4.06Å; R172-E176 VanDerWaalsContact CG-OE1 3.28Å; R172-E176 WeakPolarHBondContact CG-OE1 3.39Å; R172-E176 PolarHBondContact O-N 2.81Å; E176-S178 VanDerWaalsContact C-N 3.35Å; E176-S178 PolarHBondContact O-N 3.02Å; E176-H179 PolarHBondContact O-N 3.11Å; E176-H179 PolarHBondContact O-ND1 3.27Å; E176-R221 HydrophobicContact CG-CB 4.03Å; E176-R221 HydrophobicContact CG-CG 4.34Å; E176-R221 IonicContact OE2-CZ 2.79Å; E176-R221 IonicContact OE2-NE 2.73Å; E176-R221 IonicContact OE2-NH1 3.11Å; E176-R221 PolarHBondContact OE2-NH1 2.98Å; E176-V223 HydrophobicContact CB-CG2 4.42Å; E176-V223 HydrophobicContact CG-CG2 3.99Å
177N97.2Very high98Very high139 Ų13928.2 Ų28.274%0.74314%0.142SC*.Hα-helixtrans-65.3-34.4177.9-71.3-17.5000113.5P173 M174 L175P173-N177 PolarHBondContact O-N 3.37Å; P173-N177 VanDerWaalsContact O-N 3.16Å; P173-N177 PolarHBondContact O-ND2 2.98Å; M174-N177 PolarHBondContact O-N 3.26Å; L175-N177 VanDerWaalsContact C-N 3.3Å
178S97.5Very high97.4Very high9 Ų928.3 Ų28.36%0.06314%0.143CC..Hα-helixtrans-93.4-3.5-178.2670000114.1E128 L129 M174 L175 E176 G180E128-S178 WeakPolarHBondContact OE2-CB 3.42Å; L129-S178 VanDerWaalsContact O-CB 3.29Å; L129-S178 WeakPolarHBondContact O-CB 3.38Å; L129-S178 PolarHBondContact O-OG 3.15Å; M174-S178 PolarHBondContact O-N 3.44Å; M174-S178 PolarHBondContact O-OG 3.11Å; L175-S178 PolarHBondContact O-N 2.84Å; L175-S178 PolarHBondContact O-OG 3.42Å; E176-S178 VanDerWaalsContact C-N 3.35Å; E176-S178 PolarHBondContact O-N 3.02Å; S178-G180 PolarHBondContact O-N 3.36Å; S178-G180 WeakPolarHBondContact OG-CA 3.43Å; S178-G180 PolarHBondContact OG-N 3.46Å
179H97.7Very high96.8Very high104 Ų10428.4 Ų28.448%0.48114%0.143SC..THydrogen-bonded Turntrans48.144.4-165-54-49.3000111.4W130 L175 E176 R221 N222W130-H179 WeakPolarHBondContact CZ3-O 3.34Å; L175-H179 WeakPolarHBondContact O-CA 3.39Å; L175-H179 PolarHBondContact O-N 3.28Å; E176-H179 PolarHBondContact O-N 3.11Å; E176-H179 PolarHBondContact O-ND1 3.27Å; H179-R221 PolarHBondContact ND1-O 2.87Å; H179-N222 CarbonylContact C-O 3.4Å; H179-N222 WeakPolarHBondContact CA-O 3.35Å; H179-N222 HydrophobicContact CB-CB 4.03Å
180G98.2Very high96.4Very high0 Ų023.5 Ų23.50%012%0.121CC..  trans-79.8-154.5-172.200000113.1W130 L175 S178 V223 F224W130-G180 CarbonylContact O-C 3.58Å; W130-G180 WeakPolarHBondContact O-CA 3.42Å; L175-G180 PolarHBondContact O-N 3.37Å; S178-G180 PolarHBondContact O-N 3.36Å; S178-G180 WeakPolarHBondContact OG-CA 3.43Å; S178-G180 PolarHBondContact OG-N 3.46Å; G180-V223 WeakPolarHBondContact O-CA 3.26Å; G180-F224 PolarHBondContact O-N 3.37Å
181R98.4Very high95.9Very high13 Ų1325.4 Ų25.45%0.04913%0.126CC..EExtended strand (participates in β ladder)trans-141.2146.4-172.5-48.8-170.3172.2173.71112.3W130 A131 L132 F224 A306 I307 S309W130-R181 HydrophobicContact CH2-CG 4.38Å; W130-R181 HydrophobicContact CZ2-CG 4.12Å; W130-R181 PolarHBondContact O-N 2.97Å; A131-R181 CarbonylContact C-O 3.37Å; A131-R181 WeakPolarHBondContact CA-O 3.3Å; L132-R181 PolarHBondContact N-O 2.85Å; R181-F224 CarbonylContact C-O 3.52Å; R181-F224 WeakPolarHBondContact CA-O 3.43Å; R181-F224 HydrophobicContact CB-CB 4.46Å; R181-F224 WeakPolarHBondContact CB-O 3.39Å; R181-F224 HydrophobicContact CG-CB 4Å; R181-A306 WeakPolarHBondContact CD-O 3.49Å; R181-A306 PolarHBondContact NH1-O 3.32Å; R181-I307 PolarHBondContact NH1-O 3.48Å; R181-S309 PolarHBondContact NH1-O 3.25Å; R181-S309 PolarHBondContact NH2-O 3.48Å
182M98.8Very high95.2Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-113.8134.3167.2-59.2-179-179.900109.4L132 A168 R172 L175 F184 L214 L218 V223 F224 V225 S226L132-M182 HydrophobicContact CB-CG 4.47Å; L132-M182 HydrophobicContact CD2-CG 4.3Å; L132-M182 CarbonylContact O-C 3.34Å; L132-M182 WeakPolarHBondContact O-CA 3.44Å; A168-M182 HydrophobicContact CB-SD 4.25Å; A168-M182 WeakPolarHBondContact O-CE 3.34Å; R172-M182 HydrophobicContact CB-CE 3.88Å; R172-M182 HydrophobicContact CG-CE 4.07Å; L175-M182 HydrophobicContact CD1-CE 3.42Å; L175-M182 VanDerWaalsContact CD1-CE 3.42Å; L175-M182 HydrophobicContact CD1-CG 3.44Å; L175-M182 VanDerWaalsContact CD1-CG 3.44Å; L175-M182 HydrophobicContact CD1-SD 4.24Å; M182-F184 HydrophobicContact CB-CD2 4.32Å; M182-F184 HydrophobicContact CB-CE2 3.65Å; M182-F184 HydrophobicContact CB-CZ 4.4Å; M182-F184 HydrophobicContact SD-CE2 4.27Å; M182-F184 HydrophobicContact SD-CZ 4.32Å; M182-L214 HydrophobicContact SD-CD2 3.7Å; M182-L218 HydrophobicContact CE-CD1 3.97Å; M182-L218 HydrophobicContact SD-CD1 3.98Å; M182-V223 HydrophobicContact CG-CG1 4.19Å; M182-F224 PolarHBondContact N-O 3.02Å; M182-V225 HydrophobicContact CB-CG1 4.38Å; M182-V225 HydrophobicContact CB-CG2 4.25Å; M182-V225 CarbonylContact O-C 3.6Å; M182-V225 WeakPolarHBondContact O-CA 3.25Å; M182-S226 PolarHBondContact O-N 2.8Å
183I98.8Very high94.5Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-127.5122.3177.8-54.9160.3000107.3L132 V133 N134 S226 M228 Y303 A306 I307L132-I183 PolarHBondContact O-N 3.21Å; V133-I183 CarbonylContact C-O 3.55Å; V133-I183 WeakPolarHBondContact CA-O 3.24Å; V133-I183 HydrophobicContact CG2-CD1 4.18Å; N134-I183 PolarHBondContact N-O 3.15Å; I183-S226 WeakPolarHBondContact CA-O 3.44Å; I183-M228 HydrophobicContact CG2-CE 3.65Å; I183-M228 HydrophobicContact CG2-CG 3.94Å; I183-Y303 HydrophobicContact CG2-CD1 3.79Å; I183-Y303 HydrophobicContact CG2-CE1 3.64Å; I183-A306 HydrophobicContact CD1-CB 3.59Å; I183-A306 HydrophobicContact CG1-CB 4.03Å; I183-A306 HydrophobicContact CG2-CB 4.45Å; I183-I307 HydrophobicContact CD1-CD1 4.47Å; I183-I307 HydrophobicContact CD1-CG1 3.49Å; I183-I307 VanDerWaalsContact CD1-CG1 3.49Å
184F98.8Very high93.4Very high0 Ų024.8 Ų24.80%013%0.132CC..EExtended strand (participates in β ladder)trans-109.5137.7-177.7-68.9-95.5000111.5N134 Q164 A168 M182 S186 L207 Y210 V211 L214 V225 S226 V227 M228N134-F184 HydrophobicContact CB-CD1 3.66Å; N134-F184 HydrophobicContact CB-CE1 4Å; N134-F184 HydrophobicContact CB-CG 4.28Å; N134-F184 WeakPolarHBondContact ND2-CE1 3.37Å; N134-F184 WeakPolarHBondContact ND2-CZ 3.5Å; Q164-F184 HydrophobicContact CB-CD1 4.3Å; Q164-F184 HydrophobicContact CB-CE1 4.33Å; A168-F184 HydrophobicContact CB-CE1 3.91Å; A168-F184 HydrophobicContact CB-CZ 3.56Å; M182-F184 HydrophobicContact CB-CD2 4.32Å; M182-F184 HydrophobicContact CB-CE2 3.65Å; M182-F184 HydrophobicContact CB-CZ 4.4Å; M182-F184 HydrophobicContact SD-CE2 4.27Å; M182-F184 HydrophobicContact SD-CZ 4.32Å; F184-S186 PolarHBondContact O-N 3.34Å; F184-L207 HydrophobicContact CD1-CD1 3.97Å; F184-Y210 HydrophobicContact CE1-CD1 4.39Å; F184-Y210 AromaticContact CE1-CE1 3.87Å; F184-Y210 HydrophobicContact CE1-CE1 3.87Å; F184-Y210 AromaticContact CZ-CE1 3.78Å; F184-Y210 HydrophobicContact CZ-CE1 3.78Å; F184-V211 HydrophobicContact CB-CG2 3.69Å; F184-V211 HydrophobicContact CD1-CG2 4.18Å; F184-V211 HydrophobicContact CD2-CG1 4.22Å; F184-V211 HydrophobicContact CD2-CG2 3.68Å; F184-V211 HydrophobicContact CE2-CG2 4.32Å; F184-V211 HydrophobicContact CG-CG2 3.59Å; F184-L214 HydrophobicContact CE2-CD2 3.9Å; F184-L214 HydrophobicContact CZ-CD2 3.86Å; F184-V225 HydrophobicContact CD2-CG1 4.08Å; F184-V225 HydrophobicContact CE2-CG1 3.92Å; F184-S226 PolarHBondContact N-O 2.89Å; F184-V227 CarbonylContact O-C 3.56Å; F184-V227 WeakPolarHBondContact O-CA 3.49Å; F184-M228 PolarHBondContact O-N 3.32Å
185M98.1Very high92.1Very high13 Ų1326.8 Ų26.86%0.06415%0.146CC..EExtended strand (participates in β ladder)trans-89.5103.3174.5-177.948.774.200111.1F57 N134 N135 K204 L207 M228 P230 V299 Y303F57-M185 HydrophobicContact CD2-CE 3.98Å; F57-M185 HydrophobicContact CE2-CE 4.5Å; N134-M185 WeakPolarHBondContact O-CB 3.39Å; N134-M185 PolarHBondContact O-N 2.96Å; N135-M185 HydrophobicContact CB-CB 4.5Å; M185-K204 PolarHBondContact O-NZ 3.46Å; M185-L207 WeakPolarHBondContact O-CD2 3.45Å; M185-M228 HydrophobicContact CE-CB 3.68Å; M185-M228 HydrophobicContact CE-CG 4.17Å; M185-M228 HydrophobicContact SD-CB 3.91Å; M185-P230 HydrophobicContact CE-CG 4.25Å; M185-P230 VanDerWaalsContact SD-CD 3.57Å; M185-P230 HydrophobicContact SD-CG 3.54Å; M185-P230 VanDerWaalsContact SD-CG 3.54Å; M185-V299 HydrophobicContact CE-CG1 3.82Å; M185-Y303 WeakPolarHBondContact CB-OH 3.43Å; M185-Y303 HydrophobicContact CE-CE1 4.43Å; M185-Y303 HydrophobicContact CE-CE2 3.48Å; M185-Y303 VanDerWaalsContact CE-CE2 3.48Å; M185-Y303 WeakPolarHBondContact CE-OH 3.44Å
186S96.1Very high90.9Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans-100-139.3170.5-167.20000110.4F184 K204 D208 M228F184-S186 PolarHBondContact O-N 3.34Å; S186-K204 PolarHBondContact OG-O 3.19Å; S186-D208 WeakPolarHBondContact CB-OD1 3.37Å; S186-D208 PolarHBondContact OG-OD1 3.44Å; S186-M228 CarbonylContact C-O 3.58Å; S186-M228 VanDerWaalsContact CA-O 3.28Å; S186-M228 WeakPolarHBondContact CA-O 3.36Å; S186-M228 WeakPolarHBondContact CB-O 3.46Å; S186-M228 PolarHBondContact N-O 3.42Å
187S92.7Very high90Very high9 Ų926.9 Ų26.96%0.06315%0.148CC..  trans-164.5163.6176.9179.70000108.8L189 G190S187-L189 PolarHBondContact O-N 2.88Å; S187-L189 VanDerWaalsContact O-N 3.15Å; S187-L189 PolarHBondContact OG-N 3.4Å; S187-L189 VanDerWaalsContact OG-N 3.12Å; S187-G190 PolarHBondContact O-N 2.55Å
188V86.2Confident89.4Confident1 Ų120.8 Ų20.81%0.00612%0.118CC..G310 helixtrans-51.6-29159.5-67.60000112.2G190 R191 V192 P230 A322 W326V188-G190 PolarHBondContact O-N 2.82Å; V188-R191 WeakPolarHBondContact O-CA 3.06Å; V188-R191 WeakPolarHBondContact O-CB 3.32Å; V188-R191 PolarHBondContact O-N 2.86Å; V188-V192 WeakPolarHBondContact O-CG2 3.48Å; V188-V192 PolarHBondContact O-N 3.1Å; V188-V192 VanDerWaalsContact O-N 3.09Å; V188-P230 PolarHBondContact N-O 2.89Å; V188-A322 HydrophobicContact CG1-CB 3.36Å; V188-W326 HydrophobicContact CB-CB 3.82Å; V188-W326 HydrophobicContact CB-CG 4.07Å; V188-W326 HydrophobicContact CG1-CB 4.06Å; V188-W326 HydrophobicContact CG1-CG 4.39Å; V188-W326 HydrophobicContact CG2-CB 4.27Å; V188-W326 HydrophobicContact CG2-CG 3.96Å
189L86.6Confident89Confident3 Ų320.4 Ų20.42%0.01612%0.115CC..G310 helixtrans-72.70.1174.4-60.6-178.3000114.3S187 R191 V192 A194 L197 Y200 Q201 H205 F232S187-L189 PolarHBondContact O-N 2.88Å; S187-L189 VanDerWaalsContact O-N 3.15Å; S187-L189 PolarHBondContact OG-N 3.4Å; S187-L189 VanDerWaalsContact OG-N 3.12Å; L189-R191 VanDerWaalsContact C-N 3.31Å; L189-V192 CarbonylContact C-O 3.58Å; L189-V192 WeakPolarHBondContact CA-O 3.28Å; L189-V192 HydrophobicContact CD2-CG2 4.08Å; L189-V192 VanDerWaalsContact O-O 3.06Å; L189-A194 HydrophobicContact CD2-CB 4.27Å; L189-L197 HydrophobicContact CD1-CD1 3.54Å; L189-Y200 HydrophobicContact CB-CE1 4.42Å; L189-Y200 HydrophobicContact CD1-CD1 3.81Å; L189-Y200 HydrophobicContact CD1-CE1 3.96Å; L189-Q201 HydrophobicContact CB-CB 4.13Å; L189-H205 PolarHBondContact O-CD2 2.99Å; L189-H205 PolarHBondContact O-NE2 3.04Å; L189-F232 HydrophobicContact CD1-CZ 4.43Å
190G90Very high88.6Confident4 Ų416.6 Ų16.64%0.04110%0.096CC..G310 helixtrans-84.4-6.9161.900000113.2S187 V188 H205S187-G190 PolarHBondContact O-N 2.55Å; V188-G190 PolarHBondContact O-N 2.82Å; G190-H205 PolarHBondContact O-CE1 2.89Å; G190-H205 PolarHBondContact O-ND1 3.11Å
191R88.1Confident88.2Confident66 Ų6617.4 Ų17.425%0.24910%0.1CC..THydrogen-bonded Turntrans-115.9-29.1-178.5-58.2-62.3-61.7-151.7-2.4112.8V188 L189 E229 R315 L327 A330 Y331V188-R191 WeakPolarHBondContact O-CA 3.06Å; V188-R191 WeakPolarHBondContact O-CB 3.32Å; V188-R191 PolarHBondContact O-N 2.86Å; L189-R191 VanDerWaalsContact C-N 3.31Å; R191-E229 WeakPolarHBondContact CD-OE1 3.26Å; R191-E229 WeakPolarHBondContact CG-OE1 3.45Å; R191-R315 VanDerWaalsContact NH1-CZ 3.33Å; R191-L327 HydrophobicContact CG-CD2 4.32Å; R191-A330 HydrophobicContact CB-CB 4.06Å; R191-A330 WeakPolarHBondContact O-CB 3.37Å; R191-Y331 PolarHBondContact NH2-OH 3.24Å; R191-Y331 VanDerWaalsContact NH2-OH 3.15Å
192V84.8Confident88Confident10 Ų1019.4 Ų19.46%0.06111%0.114CC..SBendtrans-129163.9176.6-63.90000110.7V188 L189 H205 W326 L329 A330V188-V192 WeakPolarHBondContact O-CG2 3.48Å; V188-V192 PolarHBondContact O-N 3.1Å; V188-V192 VanDerWaalsContact O-N 3.09Å; L189-V192 CarbonylContact C-O 3.58Å; L189-V192 WeakPolarHBondContact CA-O 3.28Å; L189-V192 HydrophobicContact CD2-CG2 4.08Å; L189-V192 VanDerWaalsContact O-O 3.06Å; V192-H205 PolarHBondContact O-NE2 2.99Å; V192-W326 WeakPolarHBondContact CG1-O 3.24Å; V192-W326 HydrophobicContact CG2-CB 4.3Å; V192-W326 HydrophobicContact CG2-CD2 4.44Å; V192-W326 HydrophobicContact CG2-CE3 3.82Å; V192-L329 HydrophobicContact CG1-CB 4.32Å; V192-A330 VanDerWaalsContact CG1-CA 3.47Å; V192-A330 HydrophobicContact CG1-CB 3.5Å
193S83.8Confident88Confident79 Ų7919.4 Ų19.455%0.55211%0.114SC*.  trans-119.4138.6177.3-74.90000110.4Q201S193-Q201 PolarHBondContact OG-OE1 3.38Å
194A74.4Confident87.9Confident13 Ų1319.6 Ų19.611%0.10712%0.115CC..  trans-129.7146.917800000110L189 Q201L189-A194 HydrophobicContact CD2-CB 4.27Å; A194-Q201 PolarHBondContact O-NE2 3.22Å
195P71.8Confident87.8Confident60 Ų6022.9 Ų22.939%0.3913%0.13SC..THydrogen-bonded Turntrans-57.9155.3174.9-21.231.1000112L197 L268P195-L197 PolarHBondContact O-N 3.05Å; P195-L268 HydrophobicContact CB-CD2 3.81Å; P195-L268 HydrophobicContact CG-CD1 4.29Å; P195-L268 HydrophobicContact CG-CD2 4.06Å
196L73.3Confident87.8Confident19 Ų1923.4 Ų23.410%0.09914%0.137CC..THydrogen-bonded Turntrans72.2-1.7172-45.5178.6000116.5S142 L143 P144 F261 Q265 L268S142-L196 CarbonylContact C-O 3.59Å; S142-L196 WeakPolarHBondContact CA-O 3.49Å; S142-L196 VanDerWaalsContact CB-O 3.27Å; S142-L196 WeakPolarHBondContact CB-O 3.43Å; L143-L196 PolarHBondContact N-O 3.42Å; P144-L196 HydrophobicContact CB-CD2 4.18Å; P144-L196 HydrophobicContact CG-CD2 3.86Å; L196-F261 HydrophobicContact CD1-CE1 3.75Å; L196-F261 HydrophobicContact CD1-CZ 3.69Å; L196-F261 HydrophobicContact CD2-CE1 4.25Å; L196-F261 HydrophobicContact CD2-CZ 3.61Å; L196-F261 HydrophobicContact CG-CE1 4.43Å; L196-F261 HydrophobicContact CG-CZ 4.19Å; L196-Q265 HydrophobicContact CD1-CG 3.41Å; L196-Q265 VanDerWaalsContact CD1-CG 3.41Å; L196-L268 HydrophobicContact CD1-CD2 4.07Å; L196-L268 HydrophobicContact CG-CD2 4.33Å
197L78.2Confident88Confident23 Ų2323.4 Ų23.412%0.1214%0.137CC..  trans-116.830.8-179.8-62.8175.5000112L139 L189 P195 Y200 Q201L139-L197 HydrophobicContact CD1-CD2 4.4Å; L189-L197 HydrophobicContact CD1-CD1 3.54Å; P195-L197 PolarHBondContact O-N 3.05Å; L197-Y200 PolarHBondContact O-N 3.11Å; L197-Q201 WeakPolarHBondContact O-CB 3.17Å; L197-Q201 VanDerWaalsContact O-CG 3.27Å; L197-Q201 WeakPolarHBondContact O-CG 3.24Å; L197-Q201 PolarHBondContact O-N 3.07Å; L197-Q201 PolarHBondContact O-NE2 3.21Å
198G86.1Confident88.2Confident11 Ų1123.3 Ų23.311%0.11314%0.135CC..Hα-helixtrans-53.8-57.8-171.900000113.7Y153 Y200 Q201 T202Y153-G198 VanDerWaalsContact CE1-C 3.45Å; G198-Y200 VanDerWaalsContact C-N 3.31Å; G198-Y200 PolarHBondContact O-N 3.3Å; G198-Q201 PolarHBondContact O-N 2.9Å; G198-T202 WeakPolarHBondContact O-CB 3.43Å; G198-T202 VanDerWaalsContact O-CG2 3.29Å; G198-T202 WeakPolarHBondContact O-CG2 3.4Å; G198-T202 PolarHBondContact O-N 3.33Å; G198-T202 VanDerWaalsContact O-N 3.14Å; G198-T202 PolarHBondContact O-OG1 3.1Å
199P89Confident88.8Confident0 Ų027 Ų270%016%0.162CC..Hα-helixtrans-60.1-41-179.1-27.338.1000112V141 L148 D152 Y153 A156 T202 T203V141-P199 WeakPolarHBondContact O-CG 3.35Å; L148-P199 VanDerWaalsContact CD1-CD 3.5Å; L148-P199 HydrophobicContact CD1-CG 3.78Å; L148-P199 HydrophobicContact CD2-CG 3.99Å; D152-P199 HydrophobicContact CB-CG 4.17Å; Y153-P199 HydrophobicContact CD1-CB 4.25Å; Y153-P199 HydrophobicContact CD1-CG 4.19Å; Y153-P199 HydrophobicContact CE1-CG 4.16Å; Y153-P199 HydrophobicContact CG-CG 4.37Å; A156-P199 HydrophobicContact CB-CB 3.84Å; P199-T202 PolarHBondContact O-OG1 2.92Å; P199-T202 VanDerWaalsContact O-OG1 3.14Å; P199-T203 WeakPolarHBondContact O-CG2 3.34Å
200Y88Confident89.4Confident24 Ų2427.7 Ų27.79%0.09416%0.164CC..Hα-helixtrans-65.7-57.2178.4-174.2-109.9000112.6I138 L139 L189 L197 G198 T202 T203 K204 L237I138-Y200 VanDerWaalsContact O-CD2 3.27Å; I138-Y200 WeakPolarHBondContact O-CD2 3.33Å; I138-Y200 WeakPolarHBondContact O-CE2 3.44Å; L139-Y200 HydrophobicContact CD1-CD1 4.18Å; L139-Y200 HydrophobicContact CD1-CD2 3.92Å; L139-Y200 HydrophobicContact CD1-CE2 4.34Å; L139-Y200 HydrophobicContact CD1-CG 3.81Å; L139-Y200 WeakPolarHBondContact O-CB 3.29Å; L189-Y200 HydrophobicContact CB-CE1 4.42Å; L189-Y200 HydrophobicContact CD1-CD1 3.81Å; L189-Y200 HydrophobicContact CD1-CE1 3.96Å; L197-Y200 PolarHBondContact O-N 3.11Å; G198-Y200 VanDerWaalsContact C-N 3.31Å; G198-Y200 PolarHBondContact O-N 3.3Å; Y200-T202 VanDerWaalsContact C-N 3.35Å; Y200-T202 PolarHBondContact O-N 3.41Å; Y200-T203 PolarHBondContact O-N 3.36Å; Y200-T203 PolarHBondContact O-OG1 2.94Å; Y200-K204 HydrophobicContact CD1-CG 4.35Å; Y200-K204 HydrophobicContact CE1-CG 3.94Å; Y200-K204 HydrophobicContact CE2-CD 4.48Å; Y200-K204 VanDerWaalsContact CE2-CE 3.5Å; Y200-K204 HydrophobicContact CE2-CG 4.35Å; Y200-K204 VanDerWaalsContact CZ-CE 3.46Å; Y200-K204 PolarHBondContact O-N 3.24Å; Y200-K204 VanDerWaalsContact OH-CE 3.28Å; Y200-K204 WeakPolarHBondContact OH-CE 3.25Å; Y200-L237 HydrophobicContact CE2-CD2 4.49Å
201Q89.8Confident89.8Confident18 Ų1827.5 Ų27.58%0.08416%0.162CC..Hα-helixtrans-66.2-37.5-170.275.4-168.8-93.300112.1L189 S193 A194 L197 G198 T203 K204 H205L189-Q201 HydrophobicContact CB-CB 4.13Å; S193-Q201 PolarHBondContact OG-OE1 3.38Å; A194-Q201 PolarHBondContact O-NE2 3.22Å; L197-Q201 WeakPolarHBondContact O-CB 3.17Å; L197-Q201 VanDerWaalsContact O-CG 3.27Å; L197-Q201 WeakPolarHBondContact O-CG 3.24Å; L197-Q201 PolarHBondContact O-N 3.07Å; L197-Q201 PolarHBondContact O-NE2 3.21Å; G198-Q201 PolarHBondContact O-N 2.9Å; Q201-T203 PolarHBondContact O-N 3.3Å; Q201-K204 PolarHBondContact O-N 2.99Å; Q201-H205 PolarHBondContact O-CD2 2.93Å; Q201-H205 VanDerWaalsContact O-CD2 3.32Å; Q201-H205 PolarHBondContact O-N 3.21Å
202T95.4Very high90.3Very high55 Ų5527 Ų2734%0.33716%0.164SC..Hα-helixtrans-60-38.2178.949.40000110.9Y153 G198 P199 Y200 K204 A206Y153-T202 HydrophobicContact CE1-CG2 4.16Å; G198-T202 WeakPolarHBondContact O-CB 3.43Å; G198-T202 VanDerWaalsContact O-CG2 3.29Å; G198-T202 WeakPolarHBondContact O-CG2 3.4Å; G198-T202 PolarHBondContact O-N 3.33Å; G198-T202 VanDerWaalsContact O-N 3.14Å; G198-T202 PolarHBondContact O-OG1 3.1Å; P199-T202 PolarHBondContact O-OG1 2.92Å; P199-T202 VanDerWaalsContact O-OG1 3.14Å; Y200-T202 VanDerWaalsContact C-N 3.35Å; Y200-T202 PolarHBondContact O-N 3.41Å; T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.15Å; T202-A206 WeakPolarHBondContact O-CB 3.49Å; T202-A206 PolarHBondContact O-N 3.38Å
203T98Very high90.9Very high0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-66-35.9173.972.90000112.7A156 M157 N160 P199 Y200 Q201 L207A156-T203 VanDerWaalsContact C-CG2 3.45Å; A156-T203 HydrophobicContact CB-CG2 3.75Å; M157-T203 HydrophobicContact CB-CG2 4.42Å; M157-T203 HydrophobicContact CG-CG2 3.85Å; M157-T203 HydrophobicContact SD-CG2 3.55Å; M157-T203 VanDerWaalsContact SD-CG2 3.55Å; N160-T203 HydrophobicContact CB-CG2 3.99Å; N160-T203 WeakPolarHBondContact CB-OG1 3.3Å; N160-T203 PolarHBondContact ND2-OG1 3.04Å; N160-T203 VanDerWaalsContact ND2-OG1 3.07Å; P199-T203 WeakPolarHBondContact O-CG2 3.34Å; Y200-T203 PolarHBondContact O-N 3.36Å; Y200-T203 PolarHBondContact O-OG1 2.94Å; Q201-T203 PolarHBondContact O-N 3.3Å; T203-L207 VanDerWaalsContact O-CB 3.24Å; T203-L207 WeakPolarHBondContact O-CB 3.14Å; T203-L207 PolarHBondContact O-N 3.35Å
204K96.6Very high91.6Very high4 Ų426.2 Ų26.22%0.01715%0.152CC..Hα-helixtrans-75.6-36.4-179.9-61.2-45.9-166.4175.10112.3M185 S186 Y200 Q201 T202 D208M185-K204 PolarHBondContact O-NZ 3.46Å; S186-K204 PolarHBondContact OG-O 3.19Å; Y200-K204 HydrophobicContact CD1-CG 4.35Å; Y200-K204 HydrophobicContact CE1-CG 3.94Å; Y200-K204 HydrophobicContact CE2-CD 4.48Å; Y200-K204 VanDerWaalsContact CE2-CE 3.5Å; Y200-K204 HydrophobicContact CE2-CG 4.35Å; Y200-K204 VanDerWaalsContact CZ-CE 3.46Å; Y200-K204 PolarHBondContact O-N 3.24Å; Y200-K204 VanDerWaalsContact OH-CE 3.28Å; Y200-K204 WeakPolarHBondContact OH-CE 3.25Å; Q201-K204 PolarHBondContact O-N 2.99Å; T202-K204 VanDerWaalsContact C-N 3.35Å; T202-K204 PolarHBondContact O-N 3.15Å; K204-D208 WeakPolarHBondContact O-CB 3.49Å; K204-D208 PolarHBondContact O-N 2.86Å
205H97.3Very high92.7Very high69 Ų6927 Ų2732%0.31915%0.152SC..Hα-helixtrans-62.9-46.5168.6-83.8-93.6000111.5L189 G190 V192 Q201 L207 D208 S209L189-H205 PolarHBondContact O-CD2 2.99Å; L189-H205 PolarHBondContact O-NE2 3.04Å; G190-H205 PolarHBondContact O-CE1 2.89Å; G190-H205 PolarHBondContact O-ND1 3.11Å; V192-H205 PolarHBondContact O-NE2 2.99Å; Q201-H205 PolarHBondContact O-CD2 2.93Å; Q201-H205 VanDerWaalsContact O-CD2 3.32Å; Q201-H205 PolarHBondContact O-N 3.21Å; H205-L207 VanDerWaalsContact C-N 3.34Å; H205-L207 PolarHBondContact O-N 3.3Å; H205-D208 PolarHBondContact O-N 3.33Å; H205-S209 PolarHBondContact O-N 3.39Å; H205-S209 VanDerWaalsContact O-N 3.15Å
206A98.6Very high93.9Very high24 Ų2430.7 Ų30.720%0.19816%0.164CC..Hα-helixtrans-60.7-44.6177.200000111.7M157 F161 T202 S209 Y210M157-A206 HydrophobicContact CE-CB 4.35Å; F161-A206 HydrophobicContact CD2-CB 3.79Å; F161-A206 VanDerWaalsContact CE2-C 3.49Å; F161-A206 HydrophobicContact CE2-CB 3.79Å; F161-A206 WeakPolarHBondContact CE2-O 3.5Å; F161-A206 HydrophobicContact CG-CB 4.16Å; F161-A206 HydrophobicContact CZ-CB 4.17Å; T202-A206 WeakPolarHBondContact O-CB 3.49Å; T202-A206 PolarHBondContact O-N 3.38Å; A206-S209 PolarHBondContact O-N 3.32Å; A206-Y210 PolarHBondContact O-N 2.91Å
207L98.7Very high95.1Very high0 Ų034.7 Ų34.70%018%0.182CC..Hα-helixtrans-61-46.1176.4-176.169.8000111.8F161 Q164 F184 M185 T203 H205 S209 Y210 V211F161-L207 HydrophobicContact CD2-CB 4.39Å; Q164-L207 HydrophobicContact CB-CD1 4.05Å; F184-L207 HydrophobicContact CD1-CD1 3.97Å; M185-L207 WeakPolarHBondContact O-CD2 3.45Å; T203-L207 VanDerWaalsContact O-CB 3.24Å; T203-L207 WeakPolarHBondContact O-CB 3.14Å; T203-L207 PolarHBondContact O-N 3.35Å; H205-L207 VanDerWaalsContact C-N 3.34Å; H205-L207 PolarHBondContact O-N 3.3Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 3.43Å; L207-Y210 HydrophobicContact CD1-CD1 4.42Å; L207-Y210 WeakPolarHBondContact O-CB 3.35Å; L207-Y210 PolarHBondContact O-N 3.35Å; L207-Y210 VanDerWaalsContact O-N 3.11Å; L207-V211 HydrophobicContact CD1-CG2 4.4Å; L207-V211 HydrophobicContact CG-CG2 4.27Å; L207-V211 VanDerWaalsContact O-CG2 3.28Å; L207-V211 WeakPolarHBondContact O-CG2 3.4Å; L207-V211 PolarHBondContact O-N 3.33Å
208D97.9Very high96Very high6 Ų633.8 Ų33.83%0.03218%0.178CC..Hα-helixtrans-56.9-43.3178.6-94.833.3000112.3S186 K204 H205 V211 D212 R315S186-D208 WeakPolarHBondContact CB-OD1 3.37Å; S186-D208 PolarHBondContact OG-OD1 3.44Å; K204-D208 WeakPolarHBondContact O-CB 3.49Å; K204-D208 PolarHBondContact O-N 2.86Å; H205-D208 PolarHBondContact O-N 3.33Å; D208-V211 PolarHBondContact O-N 3.11Å; D208-D212 PolarHBondContact O-N 2.97Å; D208-R315 IonicContact OD2-CZ 2.61Å; D208-R315 IonicContact OD2-NH1 2.67Å; D208-R315 PolarHBondContact OD2-NH1 3.43Å; D208-R315 IonicContact OD2-NH2 3.3Å
209S98.4Very high96.3Very high80 Ų8038.6 Ų38.656%0.55920%0.2SC*.Hα-helixtrans-61.8-46.2174.6-177.20000111.7H205 A206 L207 V211 D212 M213H205-S209 PolarHBondContact O-N 3.39Å; H205-S209 VanDerWaalsContact O-N 3.15Å; A206-S209 PolarHBondContact O-N 3.32Å; L207-S209 VanDerWaalsContact C-N 3.28Å; L207-S209 PolarHBondContact O-N 3.43Å; S209-V211 VanDerWaalsContact C-N 3.33Å; S209-V211 PolarHBondContact O-N 3.47Å; S209-D212 PolarHBondContact O-N 3.29Å; S209-M213 PolarHBondContact O-N 3.5Å
210Y98.7Very high96.5Very high17 Ų1743.5 Ų43.57%0.06723%0.233CC..Hα-helixtrans-58.5-43.9175.7170.8-101.9000112.1I165 A168 F184 A206 L207 M213 L214I165-Y210 HydrophobicContact CB-CE2 4.47Å; I165-Y210 HydrophobicContact CD1-CD2 3.79Å; I165-Y210 HydrophobicContact CD1-CE2 4.03Å; I165-Y210 HydrophobicContact CD1-CG 4.09Å; I165-Y210 HydrophobicContact CG1-CD1 3.95Å; I165-Y210 HydrophobicContact CG1-CD2 3.85Å; I165-Y210 HydrophobicContact CG1-CE1 3.82Å; I165-Y210 HydrophobicContact CG1-CE2 3.73Å; I165-Y210 HydrophobicContact CG1-CG 3.96Å; I165-Y210 HydrophobicContact CG2-CE2 4.17Å; A168-Y210 HydrophobicContact CB-CE1 4.5Å; F184-Y210 HydrophobicContact CE1-CD1 4.39Å; F184-Y210 AromaticContact CE1-CE1 3.87Å; F184-Y210 HydrophobicContact CE1-CE1 3.87Å; F184-Y210 AromaticContact CZ-CE1 3.78Å; F184-Y210 HydrophobicContact CZ-CE1 3.78Å; A206-Y210 PolarHBondContact O-N 2.91Å; L207-Y210 HydrophobicContact CD1-CD1 4.42Å; L207-Y210 WeakPolarHBondContact O-CB 3.35Å; L207-Y210 PolarHBondContact O-N 3.35Å; L207-Y210 VanDerWaalsContact O-N 3.11Å; Y210-M213 HydrophobicContact CD2-CE 3.44Å; Y210-M213 VanDerWaalsContact CD2-CE 3.44Å; Y210-M213 HydrophobicContact CE2-CE 3.89Å; Y210-M213 HydrophobicContact CG-CE 4.37Å; Y210-M213 PolarHBondContact O-N 3.29Å; Y210-L214 HydrophobicContact CE1-CD2 3.85Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.17Å; Y210-L214 PolarHBondContact O-N 3.44Å
211V98.6Very high96.9Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-67.2-40.1-180-178.40000111.6F184 L207 D208 S209 L214 R215 V225 V227F184-V211 HydrophobicContact CB-CG2 3.69Å; F184-V211 HydrophobicContact CD1-CG2 4.18Å; F184-V211 HydrophobicContact CD2-CG1 4.22Å; F184-V211 HydrophobicContact CD2-CG2 3.68Å; F184-V211 HydrophobicContact CE2-CG2 4.32Å; F184-V211 HydrophobicContact CG-CG2 3.59Å; L207-V211 HydrophobicContact CD1-CG2 4.4Å; L207-V211 HydrophobicContact CG-CG2 4.27Å; L207-V211 VanDerWaalsContact O-CG2 3.28Å; L207-V211 WeakPolarHBondContact O-CG2 3.4Å; L207-V211 PolarHBondContact O-N 3.33Å; D208-V211 PolarHBondContact O-N 3.11Å; S209-V211 VanDerWaalsContact C-N 3.33Å; S209-V211 PolarHBondContact O-N 3.47Å; V211-L214 PolarHBondContact O-N 3Å; V211-R215 VanDerWaalsContact CG1-NH2 3.33Å; V211-R215 WeakPolarHBondContact O-CG 3.39Å; V211-R215 PolarHBondContact O-N 2.83Å; V211-V225 HydrophobicContact CG1-CG1 3.56Å; V211-V227 HydrophobicContact CG1-CB 4.15Å
212D98.2Very high97.2Very high56 Ų5652.9 Ų52.930%0.29928%0.276SS..Hα-helixtrans-64.8-39.4177.3-77.8-9000112.3D208 S209 R215 Q216 R315D208-D212 PolarHBondContact O-N 2.97Å; S209-D212 PolarHBondContact O-N 3.29Å; D212-R215 IonicContact OD1-CZ 3.85Å; D212-R215 IonicContact OD1-NH1 2.82Å; D212-R215 PolarHBondContact OD1-NH1 3.15Å; D212-R215 IonicContact OD1-NH2 3.68Å; D212-Q216 PolarHBondContact O-NE2 2.8Å; D212-Q216 VanDerWaalsContact O-NE2 3.09Å; D212-R315 IonicContact OD1-CZ 2.77Å; D212-R315 IonicContact OD1-NE 3.75Å; D212-R315 IonicContact OD1-NH2 3.43Å; D212-R315 PolarHBondContact OD1-NH2 3.07Å; D212-R315 IonicContact OD2-CZ 2.61Å; D212-R315 IonicContact OD2-NH2 3.71Å; D212-R315 PolarHBondContact OD2-NH2 2.97Å
213M98.2Very high97.3Very high71 Ų7150.6 Ų50.635%0.3526%0.262SS..Hα-helixtrans-66.5-48.9172.2170.5-88.9-63.900110.9S209 Y210 R215 Q216 E217S209-M213 PolarHBondContact O-N 3.5Å; Y210-M213 HydrophobicContact CD2-CE 3.44Å; Y210-M213 VanDerWaalsContact CD2-CE 3.44Å; Y210-M213 HydrophobicContact CE2-CE 3.89Å; Y210-M213 HydrophobicContact CG-CE 4.37Å; Y210-M213 PolarHBondContact O-N 3.29Å; M213-R215 VanDerWaalsContact C-N 3.27Å; M213-R215 PolarHBondContact O-N 3Å; M213-Q216 WeakPolarHBondContact O-CB 3.32Å; M213-Q216 PolarHBondContact O-N 3.48Å; M213-E217 PolarHBondContact O-N 3.42Å; M213-E217 VanDerWaalsContact O-N 3.15Å; M213-E217 HydrophobicContact SD-CG 4.1Å; M213-E217 VanDerWaalsContact SD-OE1 3.41Å
214L98.3Very high97.3Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-62.2-34.3-177.4-17167.5000112.6M182 F184 Y210 V211 Q216 E217 L218 V225M182-L214 HydrophobicContact SD-CD2 3.7Å; F184-L214 HydrophobicContact CE2-CD2 3.9Å; F184-L214 HydrophobicContact CZ-CD2 3.86Å; Y210-L214 HydrophobicContact CE1-CD2 3.85Å; Y210-L214 VanDerWaalsContact O-CB 3.23Å; Y210-L214 WeakPolarHBondContact O-CB 3.17Å; Y210-L214 PolarHBondContact O-N 3.44Å; V211-L214 PolarHBondContact O-N 3Å; L214-Q216 VanDerWaalsContact C-N 3.3Å; L214-Q216 PolarHBondContact O-N 3.05Å; L214-E217 PolarHBondContact O-N 2.89Å; L214-L218 HydrophobicContact CD1-CD1 3.83Å; L214-L218 HydrophobicContact CD1-CG 3.99Å; L214-L218 HydrophobicContact CD2-CD1 4.26Å; L214-L218 HydrophobicContact CG-CD1 3.77Å; L214-L218 HydrophobicContact CG-CG 4.19Å; L214-L218 WeakPolarHBondContact O-CB 3.36Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 2.87Å; L214-V225 HydrophobicContact CD2-CG1 4.41Å; L214-V225 HydrophobicContact CD2-CG2 4.42Å; L214-V225 HydrophobicContact CG-CG2 4.33Å
215R97.5Very high97.4Very high29 Ų2952.6 Ų52.611%0.10927%0.271CS..Hα-helixtrans-53.2-49.5171.2-84.5178.6-156.8130.822.4111.2V211 D212 M213 L218 L219 V225 Y314V211-R215 VanDerWaalsContact CG1-NH2 3.33Å; V211-R215 WeakPolarHBondContact O-CG 3.39Å; V211-R215 PolarHBondContact O-N 2.83Å; D212-R215 IonicContact OD1-CZ 3.85Å; D212-R215 IonicContact OD1-NH1 2.82Å; D212-R215 PolarHBondContact OD1-NH1 3.15Å; D212-R215 IonicContact OD1-NH2 3.68Å; M213-R215 VanDerWaalsContact C-N 3.27Å; M213-R215 PolarHBondContact O-N 3Å; R215-L218 PolarHBondContact O-N 3.34Å; R215-L219 WeakPolarHBondContact O-CG 3.49Å; R215-L219 PolarHBondContact O-N 2.68Å; R215-V225 HydrophobicContact CB-CB 4.49Å; R215-V225 WeakPolarHBondContact CD-O 3.47Å; R215-V225 HydrophobicContact CG-CB 3.59Å; R215-V225 HydrophobicContact CG-CG1 4.02Å; R215-V225 VanDerWaalsContact CG-O 3.31Å; R215-V225 WeakPolarHBondContact CG-O 3.34Å; R215-V225 PolarHBondContact NE-O 3.02Å; R215-Y314 PolarHBondContact NH2-O 3.07Å
216Q97.6Very high97.5Very high139 Ų13949.3 Ų49.365%0.6526%0.256SS*.Hα-helixtrans-66.9-43.7-176-65.717169.700111.2D212 M213 L214 L218 L219D212-Q216 PolarHBondContact O-NE2 2.8Å; D212-Q216 VanDerWaalsContact O-NE2 3.09Å; M213-Q216 WeakPolarHBondContact O-CB 3.32Å; M213-Q216 PolarHBondContact O-N 3.48Å; L214-Q216 VanDerWaalsContact C-N 3.3Å; L214-Q216 PolarHBondContact O-N 3.05Å; Q216-L218 VanDerWaalsContact C-N 3.33Å; Q216-L218 PolarHBondContact O-N 2.91Å; Q216-L219 PolarHBondContact O-N 3.32Å
217E97.6Very high97.5Very high103 Ų10348.2 Ų48.248%0.48125%0.246SC..Hα-helixtrans-64.5-36.3179.3-66-169.5166.800112.9M213 L214M213-E217 PolarHBondContact O-N 3.42Å; M213-E217 VanDerWaalsContact O-N 3.15Å; M213-E217 HydrophobicContact SD-CG 4.1Å; M213-E217 VanDerWaalsContact SD-OE1 3.41Å; L214-E217 PolarHBondContact O-N 2.89Å
218L97.6Very high97.4Very high3 Ų348.2 Ų48.22%0.01625%0.246CC..Hα-helixtrans-90.1-2-176.1-66.7-174.9000114.5R172 M182 L214 R215 Q216 C220 R221 N222 V223 V225R172-L218 HydrophobicContact CG-CD2 4.39Å; M182-L218 HydrophobicContact CE-CD1 3.97Å; M182-L218 HydrophobicContact SD-CD1 3.98Å; L214-L218 HydrophobicContact CD1-CD1 3.83Å; L214-L218 HydrophobicContact CD1-CG 3.99Å; L214-L218 HydrophobicContact CD2-CD1 4.26Å; L214-L218 HydrophobicContact CG-CD1 3.77Å; L214-L218 HydrophobicContact CG-CG 4.19Å; L214-L218 WeakPolarHBondContact O-CB 3.36Å; L214-L218 WeakPolarHBondContact O-CG 3.49Å; L214-L218 PolarHBondContact O-N 2.87Å; R215-L218 PolarHBondContact O-N 3.34Å; Q216-L218 VanDerWaalsContact C-N 3.33Å; Q216-L218 PolarHBondContact O-N 2.91Å; L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 2.99Å; L218-R221 HydrophobicContact CD2-CB 4.39Å; L218-R221 HydrophobicContact CD2-CG 4.32Å; L218-R221 PolarHBondContact O-N 3.33Å; L218-N222 PolarHBondContact O-N 3.27Å; L218-V223 HydrophobicContact CB-CB 4.12Å; L218-V223 HydrophobicContact CD1-CB 4.06Å; L218-V223 HydrophobicContact CD1-CG1 3.97Å; L218-V223 PolarHBondContact O-N 3.02Å; L218-V225 HydrophobicContact CB-CG2 4.41Å; L218-V225 HydrophobicContact CD1-CG2 3.81Å
219L91.7Very high97.3Very high112 Ų11248 Ų4859%0.58625%0.245SC*.G310 helixtrans-54.9-45.6175-78.3175.4000111.8R215 Q216 R221 N222R215-L219 WeakPolarHBondContact O-CG 3.49Å; R215-L219 PolarHBondContact O-N 2.68Å; Q216-L219 PolarHBondContact O-N 3.32Å; L219-R221 PolarHBondContact O-N 2.97Å; L219-N222 PolarHBondContact O-N 3.28Å
220C94.4Very high96.9Very high103 Ų10344.5 Ų44.570%0.69622%0.221SC*.G310 helixtrans-73.2-13.1-178.966.70000113.6L218L218-C220 VanDerWaalsContact C-N 3.3Å; L218-C220 PolarHBondContact O-N 2.99Å
221R95.9Very high96.2Very high133 Ų13344.2 Ų44.250%0.50222%0.222SC..G310 helixtrans-99.20.5178.3-57.7-64.4-178.8140.2-12.4113E176 H179 L218 L219 V223E176-R221 HydrophobicContact CG-CB 4.03Å; E176-R221 HydrophobicContact CG-CG 4.34Å; E176-R221 IonicContact OE2-CZ 2.79Å; E176-R221 IonicContact OE2-NE 2.73Å; E176-R221 IonicContact OE2-NH1 3.11Å; E176-R221 PolarHBondContact OE2-NH1 2.98Å; H179-R221 PolarHBondContact ND1-O 2.87Å; L218-R221 HydrophobicContact CD2-CB 4.39Å; L218-R221 HydrophobicContact CD2-CG 4.32Å; L218-R221 PolarHBondContact O-N 3.33Å; L219-R221 PolarHBondContact O-N 2.97Å; R221-V223 HydrophobicContact CB-CG2 4.44Å; R221-V223 PolarHBondContact O-N 3.48Å
222N95.5Very high95.1Very high107 Ų10745.4 Ų45.457%0.57223%0.228SC*.THydrogen-bonded Turntrans5532.5-175.8-60.7-48.7000113.9H179 L218 L219H179-N222 CarbonylContact C-O 3.4Å; H179-N222 WeakPolarHBondContact CA-O 3.35Å; H179-N222 HydrophobicContact CB-CB 4.03Å; L218-N222 PolarHBondContact O-N 3.27Å; L219-N222 PolarHBondContact O-N 3.28Å
223V98.4Very high93.5Very high7 Ų743.1 Ų43.14%0.04222%0.215CC..  trans-99.7118.1171.5-1800000108.9L175 E176 G180 M182 L218 R221L175-V223 HydrophobicContact CB-CG1 4.12Å; L175-V223 HydrophobicContact CB-CG2 4.22Å; L175-V223 WeakPolarHBondContact O-CG2 3.4Å; E176-V223 HydrophobicContact CB-CG2 4.42Å; E176-V223 HydrophobicContact CG-CG2 3.99Å; G180-V223 WeakPolarHBondContact O-CA 3.26Å; M182-V223 HydrophobicContact CG-CG1 4.19Å; L218-V223 HydrophobicContact CB-CB 4.12Å; L218-V223 HydrophobicContact CD1-CB 4.06Å; L218-V223 HydrophobicContact CD1-CG1 3.97Å; L218-V223 PolarHBondContact O-N 3.02Å; R221-V223 HydrophobicContact CB-CG2 4.44Å; R221-V223 PolarHBondContact O-N 3.48Å
224F98.4Very high91.7Very high44 Ų4440.8 Ų40.819%0.19321%0.205CC..EExtended strand (participates in β ladder)trans-83.5128-178.1-166.8-87.7000111.3G180 R181 M182 S226 P312 R313 Y314G180-F224 PolarHBondContact O-N 3.37Å; R181-F224 CarbonylContact C-O 3.52Å; R181-F224 WeakPolarHBondContact CA-O 3.43Å; R181-F224 HydrophobicContact CB-CB 4.46Å; R181-F224 WeakPolarHBondContact CB-O 3.39Å; R181-F224 HydrophobicContact CG-CB 4Å; M182-F224 PolarHBondContact N-O 3.02Å; F224-S226 WeakPolarHBondContact CD1-OG 3.25Å; F224-S226 WeakPolarHBondContact CE1-OG 3.49Å; F224-P312 HydrophobicContact CD1-CB 3.98Å; F224-P312 HydrophobicContact CD1-CG 3.39Å; F224-P312 HydrophobicContact CD2-CG 4.02Å; F224-P312 HydrophobicContact CE1-CB 3.65Å; F224-P312 HydrophobicContact CE1-CG 3.37Å; F224-P312 HydrophobicContact CE2-CG 3.99Å; F224-P312 HydrophobicContact CG-CG 3.73Å; F224-P312 HydrophobicContact CZ-CB 4.17Å; F224-P312 HydrophobicContact CZ-CG 3.69Å; F224-P312 VanDerWaalsContact CZ-O 3.3Å; F224-P312 WeakPolarHBondContact CZ-O 3.43Å; F224-R313 WeakPolarHBondContact CE1-O 3.34Å; F224-Y314 HydrophobicContact CD2-CE1 4.25Å; F224-Y314 HydrophobicContact CE1-CD1 4.16Å; F224-Y314 HydrophobicContact CE1-CE1 4.44Å; F224-Y314 AromaticContact CE2-CD1 3.86Å; F224-Y314 HydrophobicContact CE2-CD1 3.86Å; F224-Y314 AromaticContact CE2-CE1 3.32Å; F224-Y314 HydrophobicContact CE2-CE1 3.32Å; F224-Y314 AromaticContact CE2-CZ 3.85Å; F224-Y314 AromaticContact CZ-CD1 3.45Å; F224-Y314 HydrophobicContact CZ-CD1 3.45Å; F224-Y314 VanDerWaalsContact CZ-CD1 3.45Å; F224-Y314 AromaticContact CZ-CE1 3.45Å; F224-Y314 HydrophobicContact CZ-CE1 3.45Å; F224-Y314 VanDerWaalsContact CZ-CE1 3.45Å; F224-Y314 HydrophobicContact CZ-CG 4.13Å
225V98.7Very high90Very high2 Ų241.7 Ų41.71%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-115121.2-177.8-177.10000111.2M182 F184 V211 L214 R215 L218M182-V225 HydrophobicContact CB-CG1 4.38Å; M182-V225 HydrophobicContact CB-CG2 4.25Å; M182-V225 CarbonylContact O-C 3.6Å; M182-V225 WeakPolarHBondContact O-CA 3.25Å; F184-V225 HydrophobicContact CD2-CG1 4.08Å; F184-V225 HydrophobicContact CE2-CG1 3.92Å; V211-V225 HydrophobicContact CG1-CG1 3.56Å; L214-V225 HydrophobicContact CD2-CG1 4.41Å; L214-V225 HydrophobicContact CD2-CG2 4.42Å; L214-V225 HydrophobicContact CG-CG2 4.33Å; R215-V225 HydrophobicContact CB-CB 4.49Å; R215-V225 WeakPolarHBondContact CD-O 3.47Å; R215-V225 HydrophobicContact CG-CB 3.59Å; R215-V225 HydrophobicContact CG-CG1 4.02Å; R215-V225 VanDerWaalsContact CG-O 3.31Å; R215-V225 WeakPolarHBondContact CG-O 3.34Å; R215-V225 PolarHBondContact NE-O 3.02Å; L218-V225 HydrophobicContact CB-CG2 4.41Å; L218-V225 HydrophobicContact CD1-CG2 3.81Å
226S98.3Very high88.3Confident0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-116.4153.8178.5-47.70000111.8M182 I183 F184 F224 R313 Y314M182-S226 PolarHBondContact O-N 2.8Å; I183-S226 WeakPolarHBondContact CA-O 3.44Å; F184-S226 PolarHBondContact N-O 2.89Å; F224-S226 WeakPolarHBondContact CD1-OG 3.25Å; F224-S226 WeakPolarHBondContact CE1-OG 3.49Å; S226-R313 PolarHBondContact OG-O 2.72Å; S226-Y314 CarbonylContact C-O 3.47Å; S226-Y314 WeakPolarHBondContact CA-O 2.95Å
227V98.5Very high86.2Confident0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-120.3138.7167.266.90000110.9F184 V211 E229 Y314 R315 Y316F184-V227 CarbonylContact O-C 3.56Å; F184-V227 WeakPolarHBondContact O-CA 3.49Å; V211-V227 HydrophobicContact CG1-CB 4.15Å; V227-E229 HydrophobicContact CG1-CG 4.17Å; V227-E229 HydrophobicContact CG2-CG 4.35Å; V227-Y314 PolarHBondContact N-O 3.47Å; V227-R315 HydrophobicContact CG1-CB 4.08Å; V227-R315 HydrophobicContact CG1-CG 3.67Å; V227-Y316 PolarHBondContact O-N 3.1Å
228M97.6Very high84.2Confident0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-93.9128168.3-63.2-69.6159.700109.1I183 F184 M185 S186 P230 A302 Y303 A306 Y316I183-M228 HydrophobicContact CG2-CE 3.65Å; I183-M228 HydrophobicContact CG2-CG 3.94Å; F184-M228 PolarHBondContact O-N 3.32Å; M185-M228 HydrophobicContact CE-CB 3.68Å; M185-M228 HydrophobicContact CE-CG 4.17Å; M185-M228 HydrophobicContact SD-CB 3.91Å; S186-M228 CarbonylContact C-O 3.58Å; S186-M228 VanDerWaalsContact CA-O 3.28Å; S186-M228 WeakPolarHBondContact CA-O 3.36Å; S186-M228 WeakPolarHBondContact CB-O 3.46Å; S186-M228 PolarHBondContact N-O 3.42Å; M228-P230 WeakPolarHBondContact O-CD 3.21Å; M228-A302 HydrophobicContact CE-CB 4.38Å; M228-A302 WeakPolarHBondContact CE-O 3.31Å; M228-A302 HydrophobicContact SD-CB 3.9Å; M228-Y303 HydrophobicContact CE-CD1 3.7Å; M228-Y303 HydrophobicContact CE-CE1 4.25Å; M228-Y303 HydrophobicContact CE-CG 4.19Å; M228-Y303 HydrophobicContact CG-CD1 3.98Å; M228-Y303 HydrophobicContact CG-CE1 3.59Å; M228-Y303 HydrophobicContact SD-CD1 4.3Å; M228-Y303 HydrophobicContact SD-CE1 4.49Å; M228-A306 HydrophobicContact CE-CB 3.48Å; M228-A306 VanDerWaalsContact CE-CB 3.48Å; M228-Y316 HydrophobicContact CE-CD1 4.35Å; M228-Y316 HydrophobicContact CE-CD2 3.7Å; M228-Y316 HydrophobicContact CE-CE2 4.21Å; M228-Y316 HydrophobicContact CE-CG 3.78Å; M228-Y316 WeakPolarHBondContact SD-CB 3.07Å; M228-Y316 HydrophobicContact SD-CD2 4.2Å; M228-Y316 HydrophobicContact SD-CG 3.84Å
229E94.9Very high82.1Confident2 Ų237.1 Ų37.11%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-12468.1179.1-57.3163.4137.200109R191 V227 R315 Y316 S317 V318R191-E229 WeakPolarHBondContact CD-OE1 3.26Å; R191-E229 WeakPolarHBondContact CG-OE1 3.45Å; V227-E229 HydrophobicContact CG1-CG 4.17Å; V227-E229 HydrophobicContact CG2-CG 4.35Å; E229-R315 IonicContact OE1-CZ 3.21Å; E229-R315 IonicContact OE1-NH1 2.88Å; E229-R315 PolarHBondContact OE1-NH1 3.34Å; E229-Y316 PolarHBondContact N-O 3.2Å; E229-S317 WeakPolarHBondContact O-CA 3.39Å; E229-S317 PolarHBondContact OE2-OG 3.06Å; E229-V318 PolarHBondContact O-N 3.28Å
230P91Very high80.1Confident7 Ų740.7 Ų40.75%0.04520%0.2CC..EExtended strand (participates in β ladder)trans-66.5147.2177.129.3-35.3000110.9M185 V188 M228 F233 V299 V318M185-P230 HydrophobicContact CE-CG 4.25Å; M185-P230 VanDerWaalsContact SD-CD 3.57Å; M185-P230 HydrophobicContact SD-CG 3.54Å; M185-P230 VanDerWaalsContact SD-CG 3.54Å; V188-P230 PolarHBondContact N-O 2.89Å; M228-P230 WeakPolarHBondContact O-CD 3.21Å; P230-F233 HydrophobicContact CB-CD2 3.89Å; P230-F233 HydrophobicContact CB-CE2 3.95Å; P230-V299 HydrophobicContact CB-CG2 4.03Å; P230-V318 CarbonylContact C-O 3.53Å; P230-V318 WeakPolarHBondContact CA-O 3.23Å
231G82.6Confident78Confident10 Ų1037.6 Ų37.610%0.10319%0.186CC..  trans-69.4-151.6159.600000111.9F233 V318 D321G231-F233 WeakPolarHBondContact O-CD2 3.45Å; G231-V318 PolarHBondContact N-O 3.47Å; G231-D321 WeakPolarHBondContact CA-OD2 3.27Å
232F75.3Confident76.3Confident26 Ų2633.2 Ų33.211%0.11417%0.172CC..SBendtrans-84.5121.9179.3-66.8-91.8000111.2L189 C292 S293 D321 W326L189-F232 HydrophobicContact CD1-CZ 4.43Å; F232-C292 WeakPolarHBondContact O-CA 3.41Å; F232-S293 PolarHBondContact O-N 2.89Å; F232-D321 WeakPolarHBondContact CD2-OD2 3.45Å; F232-D321 PolarHBondContact N-OD2 3.07Å; F232-W326 HydrophobicContact CD2-CZ2 4.06Å; F232-W326 AromaticContact CD2-NE1 3.67Å; F232-W326 AromaticContact CE2-CE2 3.56Å; F232-W326 HydrophobicContact CE2-CH2 4.22Å; F232-W326 AromaticContact CE2-CZ2 3.33Å; F232-W326 HydrophobicContact CE2-CZ2 3.33Å; F232-W326 AromaticContact CE2-NE1 3.57Å; F232-W326 HydrophobicContact CZ-CZ2 4.19Å
233F65.5Low74.7Confident7 Ų728.2 Ų28.23%0.03115%0.146CC..BIsolated β-bridgetrans-138146.5-178-77.1-91.2000111.6F57 P230 G231 T235 T238 S293 K295 M298 V299 V318F57-F233 HydrophobicContact CE1-CB 4.24Å; F57-F233 HydrophobicContact CE1-CG 4.41Å; F57-F233 HydrophobicContact CZ-CB 3.59Å; F57-F233 HydrophobicContact CZ-CD2 4.27Å; F57-F233 AromaticContact CZ-CG 3.91Å; F57-F233 HydrophobicContact CZ-CG 3.91Å; P230-F233 HydrophobicContact CB-CD2 3.89Å; P230-F233 HydrophobicContact CB-CE2 3.95Å; G231-F233 WeakPolarHBondContact O-CD2 3.45Å; F233-T235 PolarHBondContact O-N 3.12Å; F233-T235 VanDerWaalsContact O-N 3.16Å; F233-T238 PolarHBondContact O-OG1 2.65Å; F233-S293 WeakPolarHBondContact CD1-O 3.22Å; F233-K295 WeakPolarHBondContact CE1-O 3.41Å; F233-M298 HydrophobicContact CE1-CB 4.26Å; F233-M298 HydrophobicContact CZ-CB 4.41Å; F233-V299 HydrophobicContact CD1-CG2 4.26Å; F233-V299 HydrophobicContact CD2-CG2 3.97Å; F233-V299 HydrophobicContact CE1-CG2 4.07Å; F233-V299 HydrophobicContact CE2-CG2 3.76Å; F233-V299 HydrophobicContact CG-CG2 4.23Å; F233-V299 HydrophobicContact CZ-CG2 3.82Å; F233-V318 HydrophobicContact CE2-CG1 4.4Å; F233-V318 WeakPolarHBondContact CE2-O 3.23Å; F233-V318 HydrophobicContact CZ-CG1 3.98Å
234T61Low73.2Confident22 Ų2228 Ų2814%0.13514%0.144CC..  trans-80.8108.9-171.1-49.80000108C292 S293 Q294 T296T234-C292 VanDerWaalsContact N-CB 3.35Å; T234-C292 WeakPolarHBondContact OG1-CB 3.08Å; T234-C292 PolarHBondContact OG1-O 3.16Å; T234-S293 PolarHBondContact N-O 3.27Å; T234-S293 VanDerWaalsContact N-O 3.13Å; T234-Q294 PolarHBondContact OG1-NE2 3.45Å; T234-T296 VanDerWaalsContact O-CG2 3.25Å; T234-T296 WeakPolarHBondContact O-CG2 3.27Å
235T61.7Low71.7Confident20 Ų2029.8 Ų29.812%0.12315%0.153CC..SBendtrans-136.9171.4176.761.50000109.3F57 F233 L237 T238 H239 T296F57-T235 HydrophobicContact CD1-CG2 4.49Å; F57-T235 HydrophobicContact CD2-CG2 4.38Å; F57-T235 HydrophobicContact CE1-CG2 4.09Å; F57-T235 HydrophobicContact CE2-CG2 3.98Å; F57-T235 HydrophobicContact CZ-CG2 3.84Å; F233-T235 PolarHBondContact O-N 3.12Å; F233-T235 VanDerWaalsContact O-N 3.16Å; T235-L237 PolarHBondContact O-N 3.02Å; T235-L237 VanDerWaalsContact O-N 3.15Å; T235-L237 WeakPolarHBondContact OG1-CB 3.34Å; T235-L237 PolarHBondContact OG1-N 2.88Å; T235-T238 PolarHBondContact N-OG1 3.11Å; T235-T238 CarbonylContact O-C 3.59Å; T235-T238 PolarHBondContact O-N 3.09Å; T235-T238 PolarHBondContact O-OG1 3.2Å; T235-H239 WeakPolarHBondContact O-CB 3.49Å; T235-H239 PolarHBondContact O-N 2.61Å; T235-T296 HydrophobicContact CG2-CG2 4.37Å
236D61Low70.2Confident49 Ų4932.8 Ų32.826%0.26217%0.168SC..Hα-helixtrans-59.9-25.9174.2-76.7-21.3000112.3S55 T238 H239 R240 G241S55-D236 WeakPolarHBondContact CB-OD2 3.25Å; S55-D236 WeakPolarHBondContact OG-CB 3.26Å; S55-D236 PolarHBondContact OG-OD2 2.85Å; S55-D236 VanDerWaalsContact OG-OD2 3.11Å; D236-T238 PolarHBondContact O-N 2.88Å; D236-H239 PolarHBondContact O-N 3.2Å; D236-R240 HydrophobicContact CB-CB 4.48Å; D236-R240 HydrophobicContact CB-CG 4.47Å; D236-R240 PolarHBondContact O-N 3.17Å; D236-R240 IonicContact OD1-CZ 3.3Å; D236-R240 IonicContact OD1-NE 3.61Å; D236-R240 PolarHBondContact OD1-NE 3.07Å; D236-R240 IonicContact OD1-NH2 3.01Å; D236-R240 IonicContact OD2-NE 2.72Å; D236-G241 PolarHBondContact O-N 3.32Å
237L55.4Low69Low54 Ų5432.8 Ų32.828%0.28317%0.168SC..Hα-helixtrans-57.7-35.7172.9-162.391.5000112G137 L139 Y200 T235G137-L237 WeakPolarHBondContact O-CD1 3.44Å; L139-L237 HydrophobicContact CB-CD1 4.49Å; L139-L237 HydrophobicContact CB-CG 4.17Å; Y200-L237 HydrophobicContact CE2-CD2 4.49Å; T235-L237 PolarHBondContact O-N 3.02Å; T235-L237 VanDerWaalsContact O-N 3.15Å; T235-L237 WeakPolarHBondContact OG1-CB 3.34Å; T235-L237 PolarHBondContact OG1-N 2.88Å
238T54.3Low67.8Low17 Ų1734.5 Ų34.510%0.10418%0.177CC..Hα-helixtrans-99.3-23.4178.959.60000112.5F233 T235 D236 L288F233-T238 PolarHBondContact O-OG1 2.65Å; T235-T238 PolarHBondContact N-OG1 3.11Å; T235-T238 CarbonylContact O-C 3.59Å; T235-T238 PolarHBondContact O-N 3.09Å; T235-T238 PolarHBondContact O-OG1 3.2Å; D236-T238 PolarHBondContact O-N 2.88Å; T238-L288 WeakPolarHBondContact O-CD1 3.41Å
239H53.5Low66.7Low58 Ų5840 Ų4027%0.26921%0.207SC..Hα-helixtrans-103.2-35.8-169.7-159.3-97.3000114.6T235 D236 E289T235-H239 WeakPolarHBondContact O-CB 3.49Å; T235-H239 PolarHBondContact O-N 2.61Å; D236-H239 PolarHBondContact O-N 3.2Å; H239-E289 IonicContact CD2-OE1 3.66Å; H239-E289 IonicContact CE1-OE1 3.75Å; H239-E289 IonicContact NE2-OE1 3.92Å; H239-E289 PolarHBondContact NE2-OE1 2.86Å
240R49.6Very low65.9Low187 Ų18743.6 Ų43.671%0.70622%0.223SC*.THydrogen-bonded Turntrans-108.5-33-179.8-63.2-168.8-150.6-149.41.2113.3D236 D242D236-R240 HydrophobicContact CB-CB 4.48Å; D236-R240 HydrophobicContact CB-CG 4.47Å; D236-R240 PolarHBondContact O-N 3.17Å; D236-R240 IonicContact OD1-CZ 3.3Å; D236-R240 IonicContact OD1-NE 3.61Å; D236-R240 PolarHBondContact OD1-NE 3.07Å; D236-R240 IonicContact OD1-NH2 3.01Å; D236-R240 IonicContact OD2-NE 2.72Å; R240-D242 PolarHBondContact O-N 3.35Å
241G51.3Low65.3Low38 Ų3846.5 Ų46.539%0.39226%0.255SS..  trans-77.861.7169.100000110D236 P243D236-G241 PolarHBondContact O-N 3.32Å; G241-P243 WeakPolarHBondContact O-CD 3.34Å
242D60.5Low65Low40 Ų4048 Ų4821%0.21426%0.258CS..  trans-60107.3169.9-175.6-15.9000106.5R240 L244 Q245 L246 H284R240-D242 PolarHBondContact O-N 3.35Å; D242-L244 PolarHBondContact O-N 2.79Å; D242-L244 VanDerWaalsContact O-N 3.1Å; D242-L244 VanDerWaalsContact OD1-CB 3.32Å; D242-L244 WeakPolarHBondContact OD1-CB 3.47Å; D242-L244 PolarHBondContact OD1-N 3.39Å; D242-Q245 HydrophobicContact CB-CB 3.81Å; D242-Q245 WeakPolarHBondContact O-CB 3.28Å; D242-Q245 PolarHBondContact O-N 2.72Å; D242-L246 PolarHBondContact O-N 2.81Å; D242-H284 IonicContact OD1-CD2 3.64Å
243P61.6Low64.9Low3 Ų347.1 Ų47.12%0.01925%0.254CS..Hα-helixtrans-63.1-21.7-174.927.9-34.6000110.9L139 G241 C247L139-P243 HydrophobicContact CD2-CB 4.12Å; L139-P243 HydrophobicContact CD2-CG 3.96Å; G241-P243 WeakPolarHBondContact O-CD 3.34Å; P243-C247 PolarHBondContact O-N 3.12Å; P243-C247 PolarHBondContact O-SG 3.17Å
244L65.6Low65.5Low3 Ų349.5 Ų49.52%0.01627%0.271CS..Hα-helixtrans-77-36.9174.5-56.6175000111.5D242 L246 C247 I248 L253 A258 F261 A262 H284D242-L244 PolarHBondContact O-N 2.79Å; D242-L244 VanDerWaalsContact O-N 3.1Å; D242-L244 VanDerWaalsContact OD1-CB 3.32Å; D242-L244 WeakPolarHBondContact OD1-CB 3.47Å; D242-L244 PolarHBondContact OD1-N 3.39Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 3.21Å; L244-C247 CarbonylContact O-C 3.58Å; L244-C247 WeakPolarHBondContact O-CA 3.44Å; L244-C247 WeakPolarHBondContact O-CB 3.5Å; L244-C247 PolarHBondContact O-N 2.67Å; L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.31Å; L244-L253 HydrophobicContact CD2-CD1 3.97Å; L244-A258 HydrophobicContact CB-CB 4.17Å; L244-F261 HydrophobicContact CD2-CB 4.41Å; L244-F261 HydrophobicContact CD2-CD1 3.72Å; L244-F261 HydrophobicContact CD2-CG 4.45Å; L244-A262 HydrophobicContact CD1-CB 3.59Å; L244-H284 HydrophobicContact CD1-CB 3.89Å
245Q66.6Low66.2Low81 Ų8155 Ų5538%0.37930%0.296SS..Hα-helixtrans-61.2-42.3171.3-170.463.352.800110.9D242 C247 I248 D249D242-Q245 HydrophobicContact CB-CB 3.81Å; D242-Q245 WeakPolarHBondContact O-CB 3.28Å; D242-Q245 PolarHBondContact O-N 2.72Å; Q245-C247 PolarHBondContact O-N 2.88Å; Q245-I248 PolarHBondContact O-N 2.98Å; Q245-I248 VanDerWaalsContact O-N 3.09Å; Q245-D249 PolarHBondContact NE2-OD1 2.85Å; Q245-D249 WeakPolarHBondContact O-CB 3.05Å; Q245-D249 PolarHBondContact O-N 3.3Å
246L69.1Low66.8Low64 Ų6462 Ų6234%0.33532%0.324SS..Hα-helixtrans-57.7-38.3173-179.864.3000111.8V141 D242 L244 Q250V141-L246 HydrophobicContact CG2-CD2 3.85Å; V141-L246 HydrophobicContact CG2-CG 4.45Å; D242-L246 PolarHBondContact O-N 2.81Å; L244-L246 VanDerWaalsContact C-N 3.3Å; L244-L246 PolarHBondContact O-N 3.21Å; L246-Q250 HydrophobicContact CD1-CG 4.49Å; L246-Q250 WeakPolarHBondContact O-CB 3.46Å; L246-Q250 WeakPolarHBondContact O-CG 3.32Å; L246-Q250 PolarHBondContact O-N 2.91Å; L246-Q250 VanDerWaalsContact O-N 3.09Å
247C72.3Confident67.3Low0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-69.6-37.1175.9-63.20000112.6L143 P243 L244 Q245 Q250 G251 R252 L253L143-C247 HydrophobicContact CD2-CB 4.49Å; P243-C247 PolarHBondContact O-N 3.12Å; P243-C247 PolarHBondContact O-SG 3.17Å; L244-C247 CarbonylContact O-C 3.58Å; L244-C247 WeakPolarHBondContact O-CA 3.44Å; L244-C247 WeakPolarHBondContact O-CB 3.5Å; L244-C247 PolarHBondContact O-N 2.67Å; Q245-C247 PolarHBondContact O-N 2.88Å; C247-Q250 PolarHBondContact O-N 3.41Å; C247-G251 PolarHBondContact O-N 3.47Å; C247-R252 HydrophobicContact CB-CB 4.35Å; C247-R252 WeakPolarHBondContact O-CA 3.48Å; C247-R252 WeakPolarHBondContact O-CB 3.26Å; C247-R252 PolarHBondContact O-N 2.93Å; C247-L253 HydrophobicContact CB-CB 4.24Å; C247-L253 HydrophobicContact CB-CD1 3.75Å; C247-L253 HydrophobicContact CB-CG 3.89Å; C247-L253 PolarHBondContact O-N 2.96Å
248I72.4Confident68Low36 Ų3660.3 Ų60.319%0.18531%0.314CS..Hα-helixtrans-64.4-48.7174.5-65.8162.2000110.1L244 Q245 Q250 G251 L253 E255 A258L244-I248 WeakPolarHBondContact O-CG1 3.38Å; L244-I248 PolarHBondContact O-N 3.31Å; Q245-I248 PolarHBondContact O-N 2.98Å; Q245-I248 VanDerWaalsContact O-N 3.09Å; I248-Q250 PolarHBondContact O-N 3.23Å; I248-G251 WeakPolarHBondContact O-CA 3.42Å; I248-G251 PolarHBondContact O-N 3.11Å; I248-L253 WeakPolarHBondContact CA-O 3.22Å; I248-L253 HydrophobicContact CG1-CB 4.36Å; I248-E255 HydrophobicContact CD1-CG 4.29Å; I248-E255 HydrophobicContact CG2-CG 4.34Å; I248-A258 HydrophobicContact CD1-CB 3.6Å; I248-A258 HydrophobicContact CG1-CB 3.87Å
249D75.7Confident68.7Low116 Ų11665.9 Ų65.962%0.6234%0.339SS*.Hα-helixtrans-62.1-30.5-179.3-64-11000111.6Q245 G251Q245-D249 PolarHBondContact NE2-OD1 2.85Å; Q245-D249 WeakPolarHBondContact O-CB 3.05Å; Q245-D249 PolarHBondContact O-N 3.3Å; D249-G251 VanDerWaalsContact C-N 3.28Å
250Q77.4Confident69.4Low77 Ų7766.7 Ų66.736%0.3634%0.343SS..THydrogen-bonded Turntrans-820.5173.3-70.9177.2-2.100113.8L246 C247 I248 R252L246-Q250 HydrophobicContact CD1-CG 4.49Å; L246-Q250 WeakPolarHBondContact O-CB 3.46Å; L246-Q250 WeakPolarHBondContact O-CG 3.32Å; L246-Q250 PolarHBondContact O-N 2.91Å; L246-Q250 VanDerWaalsContact O-N 3.09Å; C247-Q250 PolarHBondContact O-N 3.41Å; I248-Q250 PolarHBondContact O-N 3.23Å; Q250-R252 HydrophobicContact CB-CG 3.94Å; Q250-R252 PolarHBondContact O-N 2.86Å; Q250-R252 VanDerWaalsContact OE1-CD 3.25Å
251G78Confident70.1Confident68 Ų6858 Ų5870%0.70131%0.311SS*.THydrogen-bonded Turntrans69.116.1-177.200000114.3C247 I248 D249C247-G251 PolarHBondContact O-N 3.47Å; I248-G251 WeakPolarHBondContact O-CA 3.42Å; I248-G251 PolarHBondContact O-N 3.11Å; D249-G251 VanDerWaalsContact C-N 3.28Å
252R76.1Confident70.6Confident43 Ų4356.5 Ų56.516%0.16229%0.294CS..SBendtrans-89-21-176.2-63.5174.969.2169.77.8113.4W147 D152 C247 Q250 R357W147-R252 PolarHBondContact O-NH2 3Å; D152-R252 IonicContact OD1-CZ 2.97Å; D152-R252 IonicContact OD1-NH1 3.38Å; D152-R252 PolarHBondContact OD1-NH1 2.73Å; D152-R252 IonicContact OD1-NH2 3.55Å; D152-R252 IonicContact OD2-CZ 2.75Å; D152-R252 VanDerWaalsContact OD2-CZ 3.3Å; D152-R252 IonicContact OD2-NH1 3.58Å; D152-R252 PolarHBondContact OD2-NH1 3.35Å; D152-R252 IonicContact OD2-NH2 2.72Å; D152-R252 PolarHBondContact OD2-NH2 2.86Å; C247-R252 HydrophobicContact CB-CB 4.35Å; C247-R252 WeakPolarHBondContact O-CA 3.48Å; C247-R252 WeakPolarHBondContact O-CB 3.26Å; C247-R252 PolarHBondContact O-N 2.93Å; Q250-R252 HydrophobicContact CB-CG 3.94Å; Q250-R252 PolarHBondContact O-N 2.86Å; Q250-R252 VanDerWaalsContact OE1-CD 3.25Å; R252-R357 PolarHBondContact O-NH1 3.07Å; R252-R357 VanDerWaalsContact O-NH1 3.14Å; R252-R357 PolarHBondContact O-NH2 3.19Å
253L73.3Confident70.4Confident6 Ų655.9 Ų55.93%0.03130%0.297CS..SBendtrans-134.7139.3172.4-67.6179.1000109L143 W147 L244 C247 I248 E257 A258L143-L253 HydrophobicContact CD2-CD1 3.79Å; L143-L253 HydrophobicContact CD2-CG 4.28Å; W147-L253 HydrophobicContact CE3-CD2 4.45Å; W147-L253 HydrophobicContact CZ3-CD2 3.97Å; L244-L253 HydrophobicContact CD2-CD1 3.97Å; C247-L253 HydrophobicContact CB-CB 4.24Å; C247-L253 HydrophobicContact CB-CD1 3.75Å; C247-L253 HydrophobicContact CB-CG 3.89Å; C247-L253 PolarHBondContact O-N 2.96Å; I248-L253 WeakPolarHBondContact CA-O 3.22Å; I248-L253 HydrophobicContact CG1-CB 4.36Å; L253-E257 HydrophobicContact CB-CB 4.42Å; L253-E257 HydrophobicContact CD2-CB 3.99Å; L253-A258 HydrophobicContact CB-CB 4.35Å; L253-A258 HydrophobicContact CD1-CB 4.22Å
254S78.1Confident70.3Confident57 Ų5757.4 Ų57.440%0.39930%0.303SS..  trans-70.8156.8159.360.30000110.3K256 E257 A258S254-K256 PolarHBondContact O-N 3.33Å; S254-E257 PolarHBondContact N-OE2 3.2Å; S254-E257 PolarHBondContact O-N 3.13Å; S254-E257 VanDerWaalsContact O-N 3.08Å; S254-E257 WeakPolarHBondContact OG-CB 3.41Å; S254-E257 VanDerWaalsContact OG-CG 3.25Å; S254-E257 WeakPolarHBondContact OG-CG 3.39Å; S254-E257 PolarHBondContact OG-N 3.25Å; S254-E257 PolarHBondContact OG-OE2 3.36Å; S254-A258 PolarHBondContact O-N 3.16Å
255E75.7Confident69.7Low139 Ų13957.7 Ų57.765%0.6531%0.305SS*.Hα-helixtrans-52.6-39.9174.8-67.7-178.8166.500111.7I248 A258 E259I248-E255 HydrophobicContact CD1-CG 4.29Å; I248-E255 HydrophobicContact CG2-CG 4.34Å; E255-A258 PolarHBondContact O-N 3.01Å; E255-E259 WeakPolarHBondContact O-CG 3.43Å; E255-E259 PolarHBondContact O-N 3.32Å
256K75.4Confident68.8Low165 Ų16554.4 Ų54.472%0.71729%0.289SS*.Hα-helixtrans-65.8-42.4177.6-171.8179.8179.3-178.70113.1S254 A258 E259 E260S254-K256 PolarHBondContact O-N 3.33Å; K256-A258 VanDerWaalsContact C-N 3.34Å; K256-E259 PolarHBondContact O-N 3.22Å; K256-E260 PolarHBondContact O-N 2.93Å; K256-E260 VanDerWaalsContact O-N 3.07Å
257E71.6Confident67.7Low62 Ų6254 Ų5429%0.2929%0.288SS..Hα-helixtrans-65.7-40.6175-74.2169.3126.700110.9L253 S254 E260 F261 R357L253-E257 HydrophobicContact CB-CB 4.42Å; L253-E257 HydrophobicContact CD2-CB 3.99Å; S254-E257 PolarHBondContact N-OE2 3.2Å; S254-E257 PolarHBondContact O-N 3.13Å; S254-E257 VanDerWaalsContact O-N 3.08Å; S254-E257 WeakPolarHBondContact OG-CB 3.41Å; S254-E257 VanDerWaalsContact OG-CG 3.25Å; S254-E257 WeakPolarHBondContact OG-CG 3.39Å; S254-E257 PolarHBondContact OG-N 3.25Å; S254-E257 PolarHBondContact OG-OE2 3.36Å; E257-E260 PolarHBondContact O-N 2.93Å; E257-F261 VanDerWaalsContact O-CB 3.32Å; E257-F261 WeakPolarHBondContact O-CB 3.39Å; E257-F261 PolarHBondContact O-N 3.39Å; E257-R357 IonicContact OE1-CZ 3.73Å; E257-R357 IonicContact OE1-NE 3.86Å; E257-R357 PolarHBondContact OE1-NE 3.08Å; E257-R357 IonicContact OE1-NH2 3.72Å; E257-R357 PolarHBondContact OE1-NH2 3.14Å; E257-R357 IonicContact OE2-NH2 3.54Å; E257-R357 PolarHBondContact OE2-NH2 3.3Å; E257-R357 VanDerWaalsContact OE2-NH2 3.15Å
258A69.2Low66.7Low6 Ų654.5 Ų54.55%0.0529%0.29CS..Hα-helixtrans-63.1-41.3176.800000112L244 I248 L253 S254 E255 K256 F261 A262L244-A258 HydrophobicContact CB-CB 4.17Å; I248-A258 HydrophobicContact CD1-CB 3.6Å; I248-A258 HydrophobicContact CG1-CB 3.87Å; L253-A258 HydrophobicContact CB-CB 4.35Å; L253-A258 HydrophobicContact CD1-CB 4.22Å; S254-A258 PolarHBondContact O-N 3.16Å; E255-A258 PolarHBondContact O-N 3.01Å; K256-A258 VanDerWaalsContact C-N 3.34Å; A258-F261 PolarHBondContact O-N 3.3Å; A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.14Å
259E69.6Low65.6Low135 Ų13553.8 Ų53.863%0.63129%0.286SS*.Hα-helixtrans-62.4-44.5172.9-75.1-179.8174.500112.4E255 K256 F261 A262 G263E255-E259 WeakPolarHBondContact O-CG 3.43Å; E255-E259 PolarHBondContact O-N 3.32Å; K256-E259 PolarHBondContact O-N 3.22Å; E259-F261 VanDerWaalsContact C-N 3.27Å; E259-F261 PolarHBondContact O-N 3.21Å; E259-A262 PolarHBondContact O-N 3.38Å; E259-G263 PolarHBondContact O-N 3.47Å
260E68Low64.1Low75 Ų7549.4 Ų49.435%0.3526%0.263SS..Hα-helixtrans-61.1-39.1175.6-168.1177.6170.300110.8K256 E257 I353 K356K256-E260 PolarHBondContact O-N 2.93Å; K256-E260 VanDerWaalsContact O-N 3.07Å; E257-E260 PolarHBondContact O-N 2.93Å; E260-I353 HydrophobicContact CG-CD1 3.95Å; E260-K356 IonicContact OE1-NZ 2.89Å; E260-K356 PolarHBondContact OE1-NZ 2.86Å; E260-K356 IonicContact OE2-NZ 3.43Å; E260-K356 PolarHBondContact OE2-NZ 3.14Å
261F65.3Low62.7Low5 Ų547.8 Ų47.82%0.02226%0.255CS..Hα-helixtrans-74.6-40.5-179.6-152.6-98.5000113.1P144 W147 L196 L244 E257 A258 E259 G263 K264 Q265P144-F261 VanDerWaalsContact CD-CZ 3.43Å; P144-F261 HydrophobicContact CG-CE2 3.69Å; P144-F261 HydrophobicContact CG-CZ 3.6Å; W147-F261 HydrophobicContact CH2-CE2 4.46Å; W147-F261 HydrophobicContact CZ3-CD2 4.3Å; W147-F261 HydrophobicContact CZ3-CE2 4.13Å; L196-F261 HydrophobicContact CD1-CE1 3.75Å; L196-F261 HydrophobicContact CD1-CZ 3.69Å; L196-F261 HydrophobicContact CD2-CE1 4.25Å; L196-F261 HydrophobicContact CD2-CZ 3.61Å; L196-F261 HydrophobicContact CG-CE1 4.43Å; L196-F261 HydrophobicContact CG-CZ 4.19Å; L244-F261 HydrophobicContact CD2-CB 4.41Å; L244-F261 HydrophobicContact CD2-CD1 3.72Å; L244-F261 HydrophobicContact CD2-CG 4.45Å; E257-F261 VanDerWaalsContact O-CB 3.32Å; E257-F261 WeakPolarHBondContact O-CB 3.39Å; E257-F261 PolarHBondContact O-N 3.39Å; A258-F261 PolarHBondContact O-N 3.3Å; E259-F261 VanDerWaalsContact C-N 3.27Å; E259-F261 PolarHBondContact O-N 3.21Å; F261-G263 VanDerWaalsContact C-N 3.29Å; F261-G263 PolarHBondContact O-N 2.76Å; F261-K264 PolarHBondContact O-N 3.14Å; F261-Q265 HydrophobicContact CD1-CG 3.87Å; F261-Q265 HydrophobicContact CE1-CG 3.74Å; F261-Q265 VanDerWaalsContact CE1-NE2 3.35Å; F261-Q265 PolarHBondContact O-N 3.36Å
262A61.6Low61.2Low5 Ų545.2 Ų45.24%0.04123%0.225CC..Hα-helixtrans-54.7-46.4174.800000111.4L244 A258 E259 K264 L266 H284L244-A262 HydrophobicContact CD1-CB 3.59Å; A258-A262 WeakPolarHBondContact O-CB 3.39Å; A258-A262 PolarHBondContact O-N 3.14Å; E259-A262 PolarHBondContact O-N 3.38Å; A262-K264 PolarHBondContact O-N 3.34Å; A262-L266 VanDerWaalsContact O-CB 3.25Å; A262-L266 WeakPolarHBondContact O-CB 3.17Å; A262-L266 PolarHBondContact O-N 3.45Å; A262-H284 HydrophobicContact CB-CB 3.74Å
263G57Low59.8Low27 Ų2745.1 Ų45.128%0.27823%0.227SC..Hα-helixtrans-61.2-29.7176.700000113.5E259 F261 L266 L267E259-G263 PolarHBondContact O-N 3.47Å; F261-G263 VanDerWaalsContact C-N 3.29Å; F261-G263 PolarHBondContact O-N 2.76Å; G263-L266 WeakPolarHBondContact O-CB 3.06Å; G263-L267 PolarHBondContact O-N 2.87Å
264K57.8Low58.1Low36 Ų3655 Ų5516%0.15726%0.264CS..Hα-helixtrans-87.7-40.7178.9-70.3-177.2-179.4-1580113.6F261 A262 L266 L267 L268 L348 D349 I353F261-K264 PolarHBondContact O-N 3.14Å; A262-K264 PolarHBondContact O-N 3.34Å; K264-L266 PolarHBondContact O-N 3.49Å; K264-L267 PolarHBondContact O-N 2.94Å; K264-L268 PolarHBondContact O-N 2.94Å; K264-L348 HydrophobicContact CB-CD2 4.06Å; K264-L348 WeakPolarHBondContact CD-O 3.04Å; K264-L348 WeakPolarHBondContact CE-O 3.15Å; K264-L348 HydrophobicContact CG-CD2 4.48Å; K264-L348 PolarHBondContact NZ-O 2.83Å; K264-L348 WeakPolarHBondContact O-CD2 3.19Å; K264-D349 PolarHBondContact NZ-O 3.12Å; K264-I353 HydrophobicContact CD-CD1 3.37Å; K264-I353 HydrophobicContact CD-CG1 4.41Å; K264-I353 VanDerWaalsContact CE-CD1 3.42Å; K264-I353 VanDerWaalsContact NZ-CD1 3.28Å
265Q54.6Low56.1Low9 Ų959.8 Ų59.84%0.04229%0.285CS..Hα-helixtrans-56.5-40.7170.1-85.2-177.5-15.800111.4S142 L196 F261 L267 L268 I269 H284S142-Q265 PolarHBondContact O-NE2 3.33Å; L196-Q265 HydrophobicContact CD1-CG 3.41Å; L196-Q265 VanDerWaalsContact CD1-CG 3.41Å; F261-Q265 HydrophobicContact CD1-CG 3.87Å; F261-Q265 HydrophobicContact CE1-CG 3.74Å; F261-Q265 VanDerWaalsContact CE1-NE2 3.35Å; F261-Q265 PolarHBondContact O-N 3.36Å; Q265-L267 VanDerWaalsContact C-N 3.3Å; Q265-L267 PolarHBondContact O-N 3.48Å; Q265-L268 WeakPolarHBondContact O-CB 3.45Å; Q265-L268 PolarHBondContact O-N 3.34Å; Q265-I269 PolarHBondContact O-N 2.75Å; Q265-H284 PolarHBondContact OE1-CE1 3.16Å; Q265-H284 PolarHBondContact OE1-ND1 3.19Å
266L47.8Very low54.2Low11 Ų1156.2 Ų56.26%0.05828%0.275CS..Hα-helixtrans-51-51.1171.6160.265.4000111.6A262 G263 K264 L268 I269 L270 Y281 F287A262-L266 VanDerWaalsContact O-CB 3.25Å; A262-L266 WeakPolarHBondContact O-CB 3.17Å; A262-L266 PolarHBondContact O-N 3.45Å; G263-L266 WeakPolarHBondContact O-CB 3.06Å; K264-L266 PolarHBondContact O-N 3.49Å; L266-L268 VanDerWaalsContact C-N 3.3Å; L266-L268 PolarHBondContact O-N 3.28Å; L266-I269 PolarHBondContact O-N 2.97Å; L266-L270 HydrophobicContact CD1-CD1 3.33Å; L266-L270 HydrophobicContact CD1-CD2 4.41Å; L266-L270 HydrophobicContact CD1-CG 3.68Å; L266-L270 HydrophobicContact CG-CD1 3.83Å; L266-L270 HydrophobicContact CG-CG 4.44Å; L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 2.92Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.37Å; L266-Y281 WeakPolarHBondContact CD2-O 2.91Å; L266-F287 VanDerWaalsContact CA-CE2 3.48Å; L266-F287 HydrophobicContact CB-CB 4.31Å; L266-F287 HydrophobicContact CB-CD2 4.07Å; L266-F287 HydrophobicContact CB-CE2 4.28Å; L266-F287 HydrophobicContact CB-CG 4.07Å; L266-F287 HydrophobicContact CD1-CB 3.75Å; L266-F287 HydrophobicContact CD1-CD2 3.08Å; L266-F287 HydrophobicContact CD1-CE2 3.68Å; L266-F287 HydrophobicContact CD1-CG 3.66Å; L266-F287 HydrophobicContact CG-CD2 4.14Å; L266-F287 HydrophobicContact CG-CG 4.46Å; L266-F287 VanDerWaalsContact O-CE2 3.23Å; L266-F287 WeakPolarHBondContact O-CE2 3.33Å
267L46Very low52.1Low57 Ų5758.4 Ų58.430%0.29829%0.285SS..Hα-helixtrans-76.1-22.7-172.1-157.9151.7000111.4G263 K264 Q265 F271 I347 L348G263-L267 PolarHBondContact O-N 2.87Å; K264-L267 PolarHBondContact O-N 2.94Å; Q265-L267 VanDerWaalsContact C-N 3.3Å; Q265-L267 PolarHBondContact O-N 3.48Å; L267-F271 WeakPolarHBondContact O-CB 3.2Å; L267-F271 PolarHBondContact O-N 2.81Å; L267-I347 HydrophobicContact CD2-CB 4Å; L267-I347 HydrophobicContact CD2-CG2 3.3Å; L267-L348 HydrophobicContact CB-CD2 3.41Å; L267-L348 VanDerWaalsContact CB-CD2 3.41Å; L267-L348 HydrophobicContact CD2-CD2 3.55Å; L267-L348 HydrophobicContact CD2-CG 4.3Å; L267-L348 HydrophobicContact CG-CD2 4.03Å
268L50.8Low50.5Low9 Ų956.7 Ų56.75%0.04728%0.277CS..Hα-helixtrans-63.6-51.7172.9-175.154.8000111.9P195 L196 K264 Q265 L266 L272 V344 L348P195-L268 HydrophobicContact CB-CD2 3.81Å; P195-L268 HydrophobicContact CG-CD1 4.29Å; P195-L268 HydrophobicContact CG-CD2 4.06Å; L196-L268 HydrophobicContact CD1-CD2 4.07Å; L196-L268 HydrophobicContact CG-CD2 4.33Å; K264-L268 PolarHBondContact O-N 2.94Å; Q265-L268 WeakPolarHBondContact O-CB 3.45Å; Q265-L268 PolarHBondContact O-N 3.34Å; L266-L268 VanDerWaalsContact C-N 3.3Å; L266-L268 PolarHBondContact O-N 3.28Å; L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.82Å; L268-V344 HydrophobicContact CB-CG1 4.38Å; L268-V344 HydrophobicContact CD1-CB 3.71Å; L268-V344 HydrophobicContact CD1-CG1 3.47Å; L268-V344 VanDerWaalsContact CD1-CG1 3.47Å; L268-V344 HydrophobicContact CD1-CG2 4.18Å; L268-V344 HydrophobicContact CG-CG1 4.41Å; L268-L348 HydrophobicContact CB-CD1 3.51Å; L268-L348 HydrophobicContact CD1-CD1 3.74Å; L268-L348 HydrophobicContact CD2-CD1 4.47Å; L268-L348 HydrophobicContact CG-CD1 4.05Å
269I48.1Very low48.8Very low21 Ų2164.5 Ų64.511%0.10832%0.317CS..Hα-helixtrans-86.4-30-173.7-43.2167.6000110.9Q265 L266 F271 L272 L273 F287 L291 W326Q265-I269 PolarHBondContact O-N 2.75Å; L266-I269 PolarHBondContact O-N 2.97Å; I269-F271 PolarHBondContact O-N 2.91Å; I269-L272 PolarHBondContact O-N 2.83Å; I269-L273 HydrophobicContact CG2-CD1 4Å; I269-L273 PolarHBondContact O-N 3.3Å; I269-F287 HydrophobicContact CB-CE2 4.12Å; I269-F287 HydrophobicContact CB-CZ 3.55Å; I269-F287 HydrophobicContact CD1-CE1 3.68Å; I269-F287 HydrophobicContact CD1-CZ 3.46Å; I269-F287 VanDerWaalsContact CD1-CZ 3.46Å; I269-F287 HydrophobicContact CG1-CE1 4.44Å; I269-F287 HydrophobicContact CG1-CZ 3.77Å; I269-F287 HydrophobicContact CG2-CZ 4.49Å; I269-L291 HydrophobicContact CB-CD1 3.56Å; I269-L291 HydrophobicContact CG2-CD1 3.26Å; I269-W326 HydrophobicContact CG2-CZ2 4.32Å
270L46Very low47Very low25 Ų2561.8 Ų61.813%0.13132%0.318CS..Hα-helixtrans-55.4-41.1167.8-80.4179000111.7L266 L273 W274 C276 L278 F287 L291L266-L270 HydrophobicContact CD1-CD1 3.33Å; L266-L270 HydrophobicContact CD1-CD2 4.41Å; L266-L270 HydrophobicContact CD1-CG 3.68Å; L266-L270 HydrophobicContact CG-CD1 3.83Å; L266-L270 HydrophobicContact CG-CG 4.44Å; L266-L270 VanDerWaalsContact O-CB 3.3Å; L266-L270 WeakPolarHBondContact O-CB 2.92Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.47Å; L266-L270 PolarHBondContact O-N 3.37Å; L270-L273 CarbonylContact O-C 3.58Å; L270-L273 PolarHBondContact O-N 2.9Å; L270-W274 PolarHBondContact O-N 2.93Å; L270-W274 VanDerWaalsContact O-N 3.16Å; L270-C276 HydrophobicContact CD2-CB 4.31Å; L270-L278 HydrophobicContact CD1-CB 4.16Å; L270-L278 WeakPolarHBondContact CD1-O 3.05Å; L270-L278 HydrophobicContact CD2-CB 3.73Å; L270-F287 HydrophobicContact CG-CE2 4.28Å; L270-L291 HydrophobicContact CD2-CD2 4.17Å
271F46.2Very low45.7Very low42 Ų4262.7 Ų62.718%0.18432%0.319CS..Hα-helixtrans-68-43177.2-176.6-85000111.9L267 I269 L273 W274 L340 I343 V344 I347L267-F271 WeakPolarHBondContact O-CB 3.2Å; L267-F271 PolarHBondContact O-N 2.81Å; I269-F271 PolarHBondContact O-N 2.91Å; F271-L273 PolarHBondContact O-N 3.44Å; F271-L273 VanDerWaalsContact O-N 3.14Å; F271-W274 PolarHBondContact O-N 2.74Å; F271-L340 HydrophobicContact CE1-CD1 3.65Å; F271-L340 HydrophobicContact CE1-CG 4.15Å; F271-L340 HydrophobicContact CZ-CD1 4.41Å; F271-I343 HydrophobicContact CE1-CB 4.24Å; F271-I343 HydrophobicContact CE1-CG2 4.08Å; F271-I343 HydrophobicContact CE2-CG2 3.6Å; F271-I343 HydrophobicContact CZ-CB 3.84Å; F271-I343 HydrophobicContact CZ-CG2 3.24Å; F271-V344 HydrophobicContact CB-CG1 3.6Å; F271-V344 HydrophobicContact CB-CG2 4.27Å; F271-V344 HydrophobicContact CD1-CB 4.03Å; F271-V344 HydrophobicContact CD1-CG1 4.02Å; F271-V344 HydrophobicContact CD1-CG2 3.12Å; F271-V344 HydrophobicContact CE1-CG2 3.56Å; F271-V344 HydrophobicContact CG-CB 4.33Å; F271-V344 HydrophobicContact CG-CG1 3.88Å; F271-V344 HydrophobicContact CG-CG2 3.86Å; F271-I347 HydrophobicContact CD2-CD1 3.51Å; F271-I347 HydrophobicContact CE2-CD1 3.55Å; F271-I347 HydrophobicContact CG-CD1 4.45Å; F271-I347 HydrophobicContact CZ-CD1 4.49Å
272L46.3Very low44.5Very low14 Ų1465.7 Ų65.77%0.07335%0.352CS..Hα-helixtrans-57.4-29.2175.1-70.2166.6000111.5L268 I269 L325 W326 L340L268-L272 WeakPolarHBondContact O-CG 3.4Å; L268-L272 PolarHBondContact O-N 2.82Å; I269-L272 PolarHBondContact O-N 2.83Å; L272-L325 HydrophobicContact CB-CD2 4.31Å; L272-L325 WeakPolarHBondContact O-CD1 3.29Å; L272-L325 WeakPolarHBondContact O-CD2 2.93Å; L272-W326 HydrophobicContact CB-CH2 3.86Å; L272-W326 HydrophobicContact CB-CZ3 4.43Å; L272-W326 HydrophobicContact CD1-CH2 3.53Å; L272-W326 HydrophobicContact CD1-CZ3 3.9Å; L272-W326 HydrophobicContact CG-CH2 4.19Å; L272-W326 HydrophobicContact CG-CZ3 4.5Å; L272-L340 HydrophobicContact CD2-CD2 3.6Å; L272-L340 HydrophobicContact CD2-CG 4.14Å
273L48.1Very low43.9Very low41 Ų4167.5 Ų67.522%0.21536%0.364CS..THydrogen-bonded Turntrans-99.65.3-178.1-71.6161.1000115.5I269 L270 F271 N275 L291 D321 L325I269-L273 HydrophobicContact CG2-CD1 4Å; I269-L273 PolarHBondContact O-N 3.3Å; L270-L273 CarbonylContact O-C 3.58Å; L270-L273 PolarHBondContact O-N 2.9Å; F271-L273 PolarHBondContact O-N 3.44Å; F271-L273 VanDerWaalsContact O-N 3.14Å; L273-N275 PolarHBondContact O-N 2.99Å; L273-L291 HydrophobicContact CD1-CB 4.45Å; L273-L291 HydrophobicContact CD1-CD1 3.87Å; L273-L291 HydrophobicContact CD1-CD2 3.5Å; L273-L291 HydrophobicContact CD1-CG 4.15Å; L273-D321 HydrophobicContact CD2-CB 4.01Å; L273-L325 HydrophobicContact CD2-CD2 3.43Å; L273-L325 VanDerWaalsContact CD2-CD2 3.43Å; L273-L325 HydrophobicContact CG-CD2 3.82Å
274W37.6Very low43.6Very low213 Ų21366.8 Ų66.881%0.80735%0.353SS*.  trans4.239.1179.4-164.117.3000121.3L270 F271L270-W274 PolarHBondContact O-N 2.93Å; L270-W274 VanDerWaalsContact O-N 3.16Å; F271-W274 PolarHBondContact O-N 2.74Å
275N35.8Very low43.1Very low158 Ų15869.9 Ų69.985%0.84537%0.367SS*.  trans-150.82.6168.1-99.6-43.6000114.7L273L273-N275 PolarHBondContact O-N 2.99Å
276C36.2Very low42.9Very low64 Ų6476.9 Ų76.943%0.43239%0.393SS..  trans-90.8112.5176.8-67.50000109.6L270 L278L270-C276 HydrophobicContact CD2-CB 4.31Å; C276-L278 HydrophobicContact CB-CD1 3.64Å; C276-L278 PolarHBondContact O-N 3.32Å
277K31.5Very low43Very low212 Ų21276.5 Ų76.592%0.92239%0.391SS*.  trans-53.737.6179-84-178.2168.5-178.80117.2
278L37.8Very low43.3Very low25 Ų2574.2 Ų74.213%0.13138%0.379CS..  trans-110.249.9-158.2-87.1108.4000116.5L270 C276 A280 Y281 V290L270-L278 HydrophobicContact CD1-CB 4.16Å; L270-L278 WeakPolarHBondContact CD1-O 3.05Å; L270-L278 HydrophobicContact CD2-CB 3.73Å; C276-L278 HydrophobicContact CB-CD1 3.64Å; C276-L278 PolarHBondContact O-N 3.32Å; L278-A280 PolarHBondContact O-N 2.97Å; L278-A280 VanDerWaalsContact O-N 3.09Å; L278-Y281 HydrophobicContact CB-CD2 4.03Å; L278-Y281 HydrophobicContact CB-CE2 4Å; L278-Y281 HydrophobicContact CD2-CD2 3.54Å; L278-Y281 HydrophobicContact CD2-CE2 3.33Å; L278-Y281 HydrophobicContact CD2-CG 4.32Å; L278-Y281 HydrophobicContact CG-CD2 4.08Å; L278-Y281 HydrophobicContact CG-CE2 3.65Å; L278-V290 HydrophobicContact CD1-CG1 3.45Å; L278-V290 VanDerWaalsContact CD1-CG1 3.45Å; L278-V290 HydrophobicContact CD2-CB 3.71Å; L278-V290 HydrophobicContact CD2-CG1 3.41Å; L278-V290 VanDerWaalsContact CD2-CG1 3.41Å; L278-V290 HydrophobicContact CD2-CG2 3.43Å; L278-V290 VanDerWaalsContact CD2-CG2 3.43Å; L278-V290 HydrophobicContact CG-CG1 4.08Å
279L32.7Very low43.4Very low171 Ų17177.3 Ų77.390%0.89539%0.393SS*.THydrogen-bonded Turntrans-72.813.8175.5-86.4162.9000115.6
280A32.7Very low43.6Very low78 Ų7879.3 Ų79.365%0.64541%0.406SS*.THydrogen-bonded Turntrans-118.45-164.300000118.2L278L278-A280 PolarHBondContact O-N 2.97Å; L278-A280 VanDerWaalsContact O-N 3.09Å
281Y40.7Very low44.1Very low93 Ų9379.1 Ų79.137%0.36541%0.405SS..  trans-118.3101.3-155.2-61.1-85.2000115L266 L278 S283L266-Y281 WeakPolarHBondContact CD2-O 2.91Å; L278-Y281 HydrophobicContact CB-CD2 4.03Å; L278-Y281 HydrophobicContact CB-CE2 4Å; L278-Y281 HydrophobicContact CD2-CD2 3.54Å; L278-Y281 HydrophobicContact CD2-CE2 3.33Å; L278-Y281 HydrophobicContact CD2-CG 4.32Å; L278-Y281 HydrophobicContact CG-CD2 4.08Å; L278-Y281 HydrophobicContact CG-CE2 3.65Å; Y281-S283 VanDerWaalsContact C-N 3.26Å; Y281-S283 PolarHBondContact O-N 3.15Å
282G40.5Very low45Very low69 Ų6977.2 Ų77.271%0.71140%0.397SS*.  trans-73.622.3-176.700000118.1
283S48.8Very low46Very low43 Ų4378.3 Ų78.330%0.30141%0.406SS..  trans-153.3145.4172.970.90000114.7Y281 K285 R286 F287Y281-S283 VanDerWaalsContact C-N 3.26Å; Y281-S283 PolarHBondContact O-N 3.15Å; S283-K285 PolarHBondContact O-N 3.14Å; S283-R286 PolarHBondContact O-N 3.02Å; S283-R286 PolarHBondContact OG-N 3.2Å; S283-F287 PolarHBondContact O-N 2.95Å
284H49Very low47.2Very low12 Ų1282.2 Ų82.26%0.05642%0.423CS..Hα-helixtrans-59.4-31.6177.9-173.281.3000111.8D242 L244 A262 Q265 F287 L288D242-H284 IonicContact OD1-CD2 3.64Å; L244-H284 HydrophobicContact CD1-CB 3.89Å; A262-H284 HydrophobicContact CB-CB 3.74Å; Q265-H284 PolarHBondContact OE1-CE1 3.16Å; Q265-H284 PolarHBondContact OE1-ND1 3.19Å; H284-F287 WeakPolarHBondContact O-CB 3.22Å; H284-F287 PolarHBondContact O-N 3.37Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.43Å; H284-L288 PolarHBondContact O-N 3.17Å; H284-L288 VanDerWaalsContact O-N 3.1Å
285K49.1Very low49.3Very low101 Ų10178.7 Ų78.744%0.43941%0.413SS..Hα-helixtrans-64.9-51.9176.3-170.8176.9-177.2176.30113.4S283 F287 L288 E289S283-K285 PolarHBondContact O-N 3.14Å; K285-F287 PolarHBondContact O-N 3.29Å; K285-L288 PolarHBondContact O-N 2.81Å; K285-E289 WeakPolarHBondContact O-CG 3.5Å; K285-E289 PolarHBondContact O-N 3.07Å
286R48.9Very low51.6Low156 Ų15672.5 Ų72.559%0.58938%0.381SS*.Hα-helixtrans-66.4-24.2178-81.8-178177.2167.10.8112.5S283 V290S283-R286 PolarHBondContact O-N 3.02Å; S283-R286 PolarHBondContact OG-N 3.2Å; R286-V290 WeakPolarHBondContact O-CG2 3.29Å
287F51.1Low54Low2 Ų272.7 Ų72.71%0.00938%0.376CS..Hα-helixtrans-70.4-52.5175.5160.9-117.3000113.4L266 I269 L270 S283 H284 K285 E289 V290 L291L266-F287 VanDerWaalsContact CA-CE2 3.48Å; L266-F287 HydrophobicContact CB-CB 4.31Å; L266-F287 HydrophobicContact CB-CD2 4.07Å; L266-F287 HydrophobicContact CB-CE2 4.28Å; L266-F287 HydrophobicContact CB-CG 4.07Å; L266-F287 HydrophobicContact CD1-CB 3.75Å; L266-F287 HydrophobicContact CD1-CD2 3.08Å; L266-F287 HydrophobicContact CD1-CE2 3.68Å; L266-F287 HydrophobicContact CD1-CG 3.66Å; L266-F287 HydrophobicContact CG-CD2 4.14Å; L266-F287 HydrophobicContact CG-CG 4.46Å; L266-F287 VanDerWaalsContact O-CE2 3.23Å; L266-F287 WeakPolarHBondContact O-CE2 3.33Å; I269-F287 HydrophobicContact CB-CE2 4.12Å; I269-F287 HydrophobicContact CB-CZ 3.55Å; I269-F287 HydrophobicContact CD1-CE1 3.68Å; I269-F287 HydrophobicContact CD1-CZ 3.46Å; I269-F287 VanDerWaalsContact CD1-CZ 3.46Å; I269-F287 HydrophobicContact CG1-CE1 4.44Å; I269-F287 HydrophobicContact CG1-CZ 3.77Å; I269-F287 HydrophobicContact CG2-CZ 4.49Å; L270-F287 HydrophobicContact CG-CE2 4.28Å; S283-F287 PolarHBondContact O-N 2.95Å; H284-F287 WeakPolarHBondContact O-CB 3.22Å; H284-F287 PolarHBondContact O-N 3.37Å; K285-F287 PolarHBondContact O-N 3.29Å; F287-E289 PolarHBondContact O-N 3.34Å; F287-V290 PolarHBondContact O-N 2.94Å; F287-L291 HydrophobicContact CD2-CD1 3.93Å; F287-L291 HydrophobicContact CD2-CG 3.9Å; F287-L291 HydrophobicContact CE1-CD1 4.22Å; F287-L291 HydrophobicContact CE2-CD1 3.14Å; F287-L291 HydrophobicContact CE2-CD2 4.36Å; F287-L291 HydrophobicContact CE2-CG 3.59Å; F287-L291 HydrophobicContact CZ-CD1 3.38Å; F287-L291 HydrophobicContact CZ-CG 4.24Å; F287-L291 PolarHBondContact O-N 3.09Å; F287-L291 VanDerWaalsContact O-N 3.14Å
288L51.6Low56.8Low10 Ų1066.1 Ų66.15%0.05235%0.349CS..Hα-helixtrans-59.7-34.4178.3-74174.8000110T238 H284 K285 V290 C292T238-L288 WeakPolarHBondContact O-CD1 3.41Å; H284-L288 WeakPolarHBondContact NE2-CD1 3.43Å; H284-L288 PolarHBondContact O-N 3.17Å; H284-L288 VanDerWaalsContact O-N 3.1Å; K285-L288 PolarHBondContact O-N 2.81Å; L288-V290 PolarHBondContact O-N 2.91Å; L288-V290 VanDerWaalsContact O-N 3.17Å; L288-C292 WeakPolarHBondContact O-CA 3.44Å; L288-C292 WeakPolarHBondContact O-CB 3.26Å; L288-C292 PolarHBondContact O-N 2.61Å; L288-C292 PolarHBondContact O-SG 2.88Å
289E53.4Low59.4Low74 Ų7465 Ų6535%0.34634%0.343SS..Hα-helixtrans-56.4-29.7172.9-72.6172.8174.100114.7H239 K285 F287 Q294H239-E289 IonicContact CD2-OE1 3.66Å; H239-E289 IonicContact CE1-OE1 3.75Å; H239-E289 IonicContact NE2-OE1 3.92Å; H239-E289 PolarHBondContact NE2-OE1 2.86Å; K285-E289 WeakPolarHBondContact O-CG 3.5Å; K285-E289 PolarHBondContact O-N 3.07Å; F287-E289 PolarHBondContact O-N 3.34Å; E289-Q294 PolarHBondContact O-NE2 2.6Å
290V52.3Low62.3Low63 Ų6356.8 Ų56.838%0.38230%0.301SS..Hα-helixtrans-93.9-41.5-175.61790000112.6L278 R286 F287 L288L278-V290 HydrophobicContact CD1-CG1 3.45Å; L278-V290 VanDerWaalsContact CD1-CG1 3.45Å; L278-V290 HydrophobicContact CD2-CB 3.71Å; L278-V290 HydrophobicContact CD2-CG1 3.41Å; L278-V290 VanDerWaalsContact CD2-CG1 3.41Å; L278-V290 HydrophobicContact CD2-CG2 3.43Å; L278-V290 VanDerWaalsContact CD2-CG2 3.43Å; L278-V290 HydrophobicContact CG-CG1 4.08Å; R286-V290 WeakPolarHBondContact O-CG2 3.29Å; F287-V290 PolarHBondContact O-N 2.94Å; L288-V290 PolarHBondContact O-N 2.91Å; L288-V290 VanDerWaalsContact O-N 3.17Å
291L57Low65.2Low20 Ų2060.5 Ų60.511%0.10530%0.298CS..Hα-helixtrans-72.2-38.3177.4-67.2-163.9000112I269 L270 L273 F287 S293I269-L291 HydrophobicContact CB-CD1 3.56Å; I269-L291 HydrophobicContact CG2-CD1 3.26Å; L270-L291 HydrophobicContact CD2-CD2 4.17Å; L273-L291 HydrophobicContact CD1-CB 4.45Å; L273-L291 HydrophobicContact CD1-CD1 3.87Å; L273-L291 HydrophobicContact CD1-CD2 3.5Å; L273-L291 HydrophobicContact CD1-CG 4.15Å; F287-L291 HydrophobicContact CD2-CD1 3.93Å; F287-L291 HydrophobicContact CD2-CG 3.9Å; F287-L291 HydrophobicContact CE1-CD1 4.22Å; F287-L291 HydrophobicContact CE2-CD1 3.14Å; F287-L291 HydrophobicContact CE2-CD2 4.36Å; F287-L291 HydrophobicContact CE2-CG 3.59Å; F287-L291 HydrophobicContact CZ-CD1 3.38Å; F287-L291 HydrophobicContact CZ-CG 4.24Å; F287-L291 PolarHBondContact O-N 3.09Å; F287-L291 VanDerWaalsContact O-N 3.14Å; L291-S293 PolarHBondContact O-N 2.65Å
292C63.6Low67.8Low3 Ų356.5 Ų56.52%0.0228%0.284CS..SBendtrans-74.4124.4-174.2-67.70000109.7F232 T234 L288 Q294F232-C292 WeakPolarHBondContact O-CA 3.41Å; T234-C292 VanDerWaalsContact N-CB 3.35Å; T234-C292 WeakPolarHBondContact OG1-CB 3.08Å; T234-C292 PolarHBondContact OG1-O 3.16Å; L288-C292 WeakPolarHBondContact O-CA 3.44Å; L288-C292 WeakPolarHBondContact O-CB 3.26Å; L288-C292 PolarHBondContact O-N 2.61Å; L288-C292 PolarHBondContact O-SG 2.88Å; C292-Q294 PolarHBondContact O-N 3.31Å
293S67.7Low70.5Confident37 Ų3753.2 Ų53.226%0.25925%0.25SS..BIsolated β-bridgetrans-62.6126.8172.6-1690000109.4F232 F233 T234 L291 K295F232-S293 PolarHBondContact O-N 2.89Å; F233-S293 WeakPolarHBondContact CD1-O 3.22Å; T234-S293 PolarHBondContact N-O 3.27Å; T234-S293 VanDerWaalsContact N-O 3.13Å; L291-S293 PolarHBondContact O-N 2.65Å; S293-K295 PolarHBondContact O-N 3.45Å; S293-K295 PolarHBondContact OG-N 3.49Å
294Q73Confident72.7Confident122 Ų12253 Ų5357%0.5725%0.245SC*.SBendtrans-71-7.5171.1-59-65.2-24.300111.9T234 E289 C292 T296T234-Q294 PolarHBondContact OG1-NE2 3.45Å; E289-Q294 PolarHBondContact O-NE2 2.6Å; C292-Q294 PolarHBondContact O-N 3.31Å; Q294-T296 PolarHBondContact O-N 2.87Å
295K81.2Confident74.9Confident140 Ų14054 Ų5461%0.60925%0.249SC*.  trans-84.854.6-178-59.2-178-179.4177.30111.6F233 S293 E297 M298F233-K295 WeakPolarHBondContact CE1-O 3.41Å; S293-K295 PolarHBondContact O-N 3.45Å; S293-K295 PolarHBondContact OG-N 3.49Å; K295-E297 PolarHBondContact O-N 3.18Å; K295-E297 VanDerWaalsContact O-N 3.09Å; K295-M298 HydrophobicContact CB-CG 3.99Å; K295-M298 HydrophobicContact CB-SD 3.92Å; K295-M298 HydrophobicContact CD-SD 4.2Å; K295-M298 WeakPolarHBondContact O-CB 3.27Å; K295-M298 WeakPolarHBondContact O-CG 3.34Å; K295-M298 PolarHBondContact O-N 3.28Å
296T84.6Confident77.2Confident28 Ų2849.1 Ų49.117%0.17223%0.228CC..THydrogen-bonded Turntrans-55.2-27.8178.251.80000113F57 L60 T234 T235 Q294 M298 V299 T300F57-T296 HydrophobicContact CE1-CG2 3.93Å; L60-T296 WeakPolarHBondContact CD1-OG1 3.44Å; T234-T296 VanDerWaalsContact O-CG2 3.25Å; T234-T296 WeakPolarHBondContact O-CG2 3.27Å; T235-T296 HydrophobicContact CG2-CG2 4.37Å; Q294-T296 PolarHBondContact O-N 2.87Å; T296-M298 PolarHBondContact O-N 2.76Å; T296-M298 VanDerWaalsContact O-N 3.1Å; T296-V299 PolarHBondContact O-N 3.4Å; T296-T300 PolarHBondContact O-N 3.48Å; T296-T300 PolarHBondContact O-OG1 3.03Å
297E87.8Confident79.5Confident67 Ų6741.8 Ų41.831%0.31320%0.2SC..Hα-helixtrans-52.7-27.3170.9177.960.9-173.600113.8K295 V299 T300 R301K295-E297 PolarHBondContact O-N 3.18Å; K295-E297 VanDerWaalsContact O-N 3.09Å; E297-V299 VanDerWaalsContact C-N 3.29Å; E297-V299 PolarHBondContact O-N 3.25Å; E297-T300 PolarHBondContact O-N 3.29Å; E297-R301 HydrophobicContact CG-CG 4.25Å; E297-R301 WeakPolarHBondContact O-CB 3.23Å; E297-R301 VanDerWaalsContact O-CG 3.27Å; E297-R301 WeakPolarHBondContact O-CG 3.23Å; E297-R301 PolarHBondContact O-N 3.11Å; E297-R301 WeakPolarHBondContact OE1-CG 3.44Å; E297-R301 IonicContact OE1-CZ 2.73Å; E297-R301 IonicContact OE1-NE 3.24Å; E297-R301 PolarHBondContact OE1-NE 3.26Å; E297-R301 IonicContact OE1-NH2 2.86Å
298M89.6Confident81.7Confident74 Ų7442.1 Ų42.137%0.36520%0.203SC..Hα-helixtrans-61.4-40.2174.4-68.6-18062.500111.9F233 K295 T296 A302 V318F233-M298 HydrophobicContact CE1-CB 4.26Å; F233-M298 HydrophobicContact CZ-CB 4.41Å; K295-M298 HydrophobicContact CB-CG 3.99Å; K295-M298 HydrophobicContact CB-SD 3.92Å; K295-M298 HydrophobicContact CD-SD 4.2Å; K295-M298 WeakPolarHBondContact O-CB 3.27Å; K295-M298 WeakPolarHBondContact O-CG 3.34Å; K295-M298 PolarHBondContact O-N 3.28Å; T296-M298 PolarHBondContact O-N 2.76Å; T296-M298 VanDerWaalsContact O-N 3.1Å; M298-A302 PolarHBondContact O-N 3.35Å; M298-A302 VanDerWaalsContact O-N 3.15Å; M298-V318 HydrophobicContact CB-CG1 3.73Å
299V92.9Very high83.8Confident1 Ų141.8 Ų41.81%0.00620%0.201CC..Hα-helixtrans-74.6-42.1178.2-178.90000109.9F57 M185 P230 F233 T296 E297 R301 A302 Y303 V318F57-V299 HydrophobicContact CB-CG1 4.42Å; F57-V299 HydrophobicContact CD1-CB 3.66Å; F57-V299 HydrophobicContact CD1-CG1 3.74Å; F57-V299 HydrophobicContact CD1-CG2 4.26Å; F57-V299 HydrophobicContact CD2-CG1 4.02Å; F57-V299 HydrophobicContact CE1-CB 3.48Å; F57-V299 VanDerWaalsContact CE1-CB 3.48Å; F57-V299 HydrophobicContact CE1-CG1 3.87Å; F57-V299 HydrophobicContact CE1-CG2 3.57Å; F57-V299 HydrophobicContact CE2-CG1 4.13Å; F57-V299 HydrophobicContact CE2-CG2 4.37Å; F57-V299 HydrophobicContact CG-CB 4.27Å; F57-V299 HydrophobicContact CG-CG1 3.81Å; F57-V299 HydrophobicContact CZ-CB 3.93Å; F57-V299 HydrophobicContact CZ-CG1 4.04Å; F57-V299 HydrophobicContact CZ-CG2 3.62Å; M185-V299 HydrophobicContact CE-CG1 3.82Å; P230-V299 HydrophobicContact CB-CG2 4.03Å; F233-V299 HydrophobicContact CD1-CG2 4.26Å; F233-V299 HydrophobicContact CD2-CG2 3.97Å; F233-V299 HydrophobicContact CE1-CG2 4.07Å; F233-V299 HydrophobicContact CE2-CG2 3.76Å; F233-V299 HydrophobicContact CG-CG2 4.23Å; F233-V299 HydrophobicContact CZ-CG2 3.82Å; T296-V299 PolarHBondContact O-N 3.4Å; E297-V299 VanDerWaalsContact C-N 3.29Å; E297-V299 PolarHBondContact O-N 3.25Å; V299-R301 VanDerWaalsContact C-N 3.3Å; V299-R301 PolarHBondContact O-N 2.81Å; V299-A302 WeakPolarHBondContact O-CB 3.47Å; V299-A302 PolarHBondContact O-N 3.49Å; V299-A302 VanDerWaalsContact O-N 3.09Å; V299-Y303 HydrophobicContact CG1-CD2 4.06Å; V299-Y303 HydrophobicContact CG1-CE2 3.99Å; V299-Y303 PolarHBondContact O-N 3.27Å; V299-V318 HydrophobicContact CB-CG1 4.48Å; V299-V318 HydrophobicContact CG2-CB 4.15Å; V299-V318 HydrophobicContact CG2-CG1 3.74Å
300T93.7Very high85.7Confident0 Ų043.6 Ų43.60%021%0.208CC..Hα-helixtrans-60.7-38.3176.1-45.20000112.1L60 L61 R64 T296 E297 Y303 E304L60-T300 HydrophobicContact CB-CG2 4.2Å; L61-T300 HydrophobicContact CB-CG2 4.38Å; L61-T300 HydrophobicContact CD1-CG2 4.33Å; R64-T300 HydrophobicContact CB-CG2 4.08Å; R64-T300 HydrophobicContact CG-CG2 4.32Å; T296-T300 PolarHBondContact O-N 3.48Å; T296-T300 PolarHBondContact O-OG1 3.03Å; E297-T300 PolarHBondContact O-N 3.29Å; T300-Y303 WeakPolarHBondContact O-CB 3.44Å; T300-Y303 PolarHBondContact O-N 2.98Å; T300-E304 PolarHBondContact O-N 2.94Å
301R92.6Very high87.5Confident156 Ų15645.8 Ų45.859%0.58921%0.21SC*.Hα-helixtrans-68.4-35.4173.2-74.2177.8-175.7-173.30.9113.2E297 V299 Y303 E304 E305E297-R301 HydrophobicContact CG-CG 4.25Å; E297-R301 WeakPolarHBondContact O-CB 3.23Å; E297-R301 VanDerWaalsContact O-CG 3.27Å; E297-R301 WeakPolarHBondContact O-CG 3.23Å; E297-R301 PolarHBondContact O-N 3.11Å; E297-R301 WeakPolarHBondContact OE1-CG 3.44Å; E297-R301 IonicContact OE1-CZ 2.73Å; E297-R301 IonicContact OE1-NE 3.24Å; E297-R301 PolarHBondContact OE1-NE 3.26Å; E297-R301 IonicContact OE1-NH2 2.86Å; V299-R301 VanDerWaalsContact C-N 3.3Å; V299-R301 PolarHBondContact O-N 2.81Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-E304 PolarHBondContact O-N 3.3Å; R301-E305 WeakPolarHBondContact O-CB 3.5Å; R301-E305 PolarHBondContact O-N 2.98Å
302A94.5Very high89.3Confident9 Ų945.2 Ų45.27%0.07421%0.207CC..Hα-helixtrans-64.7-42.6173.300000110.8M228 M298 V299 E305 A306 Y316 V318M228-A302 HydrophobicContact CE-CB 4.38Å; M228-A302 WeakPolarHBondContact CE-O 3.31Å; M228-A302 HydrophobicContact SD-CB 3.9Å; M298-A302 PolarHBondContact O-N 3.35Å; M298-A302 VanDerWaalsContact O-N 3.15Å; V299-A302 WeakPolarHBondContact O-CB 3.47Å; V299-A302 PolarHBondContact O-N 3.49Å; V299-A302 VanDerWaalsContact O-N 3.09Å; A302-E305 PolarHBondContact O-N 3.14Å; A302-A306 WeakPolarHBondContact O-CB 3.27Å; A302-A306 PolarHBondContact O-N 3.1Å; A302-Y316 HydrophobicContact CB-CD1 3.95Å; A302-Y316 HydrophobicContact CB-CG 4.49Å; A302-V318 HydrophobicContact CB-CG2 3.54Å
303Y97.6Very high90.7Very high0 Ų048.3 Ų48.30%022%0.219CC..Hα-helixtrans-57.7-49.4170-84.2-57.7000112.5F57 L61 V133 N135 I183 M185 M228 V299 T300 R301 E305 A306 I307F57-Y303 HydrophobicContact CB-CE2 3.95Å; L61-Y303 HydrophobicContact CD1-CG 4.33Å; L61-Y303 HydrophobicContact CD2-CD1 3.92Å; L61-Y303 HydrophobicContact CD2-CD2 3.98Å; L61-Y303 HydrophobicContact CD2-CE1 4.43Å; L61-Y303 HydrophobicContact CD2-CE2 4.44Å; L61-Y303 HydrophobicContact CD2-CG 3.67Å; V133-Y303 HydrophobicContact CG1-CD1 3.88Å; V133-Y303 HydrophobicContact CG1-CE1 3.36Å; N135-Y303 WeakPolarHBondContact CB-OH 3.32Å; N135-Y303 PolarHBondContact OD1-OH 3.4Å; I183-Y303 HydrophobicContact CG2-CD1 3.79Å; I183-Y303 HydrophobicContact CG2-CE1 3.64Å; M185-Y303 WeakPolarHBondContact CB-OH 3.43Å; M185-Y303 HydrophobicContact CE-CE1 4.43Å; M185-Y303 HydrophobicContact CE-CE2 3.48Å; M185-Y303 VanDerWaalsContact CE-CE2 3.48Å; M185-Y303 WeakPolarHBondContact CE-OH 3.44Å; M228-Y303 HydrophobicContact CE-CD1 3.7Å; M228-Y303 HydrophobicContact CE-CE1 4.25Å; M228-Y303 HydrophobicContact CE-CG 4.19Å; M228-Y303 HydrophobicContact CG-CD1 3.98Å; M228-Y303 HydrophobicContact CG-CE1 3.59Å; M228-Y303 HydrophobicContact SD-CD1 4.3Å; M228-Y303 HydrophobicContact SD-CE1 4.49Å; V299-Y303 HydrophobicContact CG1-CD2 4.06Å; V299-Y303 HydrophobicContact CG1-CE2 3.99Å; V299-Y303 PolarHBondContact O-N 3.27Å; T300-Y303 WeakPolarHBondContact O-CB 3.44Å; T300-Y303 PolarHBondContact O-N 2.98Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; Y303-E305 VanDerWaalsContact C-N 3.3Å; Y303-E305 PolarHBondContact O-N 3.42Å; Y303-A306 PolarHBondContact O-N 3.3Å; Y303-A306 VanDerWaalsContact O-N 3.13Å; Y303-I307 VanDerWaalsContact O-CG1 3.26Å; Y303-I307 WeakPolarHBondContact O-CG1 3.47Å; Y303-I307 PolarHBondContact O-N 3.47Å
304E96.1Very high92Very high39 Ų3952.8 Ų52.818%0.18223%0.231CC..Hα-helixtrans-56.2-44.5176.1180-179.6150.500111.4R64 L68 T300 R301 I307 T308R64-E304 IonicContact CZ-OE2 3.7Å; R64-E304 IonicContact NE-OE2 3.81Å; R64-E304 PolarHBondContact NE-OE2 2.97Å; R64-E304 IonicContact NH2-OE1 2.86Å; R64-E304 PolarHBondContact NH2-OE1 2.91Å; R64-E304 IonicContact NH2-OE2 3.73Å; R64-E304 PolarHBondContact NH2-OE2 3.2Å; L68-E304 HydrophobicContact CD1-CG 3.93Å; T300-E304 PolarHBondContact O-N 2.94Å; R301-E304 PolarHBondContact O-N 3.3Å; E304-I307 PolarHBondContact O-N 3.09Å; E304-T308 HydrophobicContact CG-CG2 4.17Å; E304-T308 VanDerWaalsContact O-CB 3.32Å; E304-T308 WeakPolarHBondContact O-CB 3.27Å; E304-T308 WeakPolarHBondContact O-CG2 3.42Å; E304-T308 PolarHBondContact O-N 2.77Å; E304-T308 PolarHBondContact O-OG1 3.23Å
305E94.9Very high93.1Very high31 Ų3149.5 Ų49.515%0.14521%0.213CC..Hα-helixtrans-62.3-44.1175.9-174.2-177152.400111.5R301 A302 Y303 I307 T308 S309 R313 Y316R301-E305 WeakPolarHBondContact O-CB 3.5Å; R301-E305 PolarHBondContact O-N 2.98Å; A302-E305 PolarHBondContact O-N 3.14Å; Y303-E305 VanDerWaalsContact C-N 3.3Å; Y303-E305 PolarHBondContact O-N 3.42Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.95Å; E305-T308 PolarHBondContact O-N 3.26Å; E305-S309 WeakPolarHBondContact O-CB 3.18Å; E305-S309 PolarHBondContact O-N 3.45Å; E305-R313 IonicContact OE1-CZ 3.65Å; E305-R313 VanDerWaalsContact OE1-CZ 3.24Å; E305-R313 IonicContact OE1-NE 2.9Å; E305-R313 PolarHBondContact OE1-NE 3.29Å; E305-R313 IonicContact OE1-NH2 2.77Å; E305-R313 PolarHBondContact OE1-NH2 3.08Å; E305-R313 IonicContact OE2-CZ 3.69Å; E305-R313 IonicContact OE2-NH2 3.67Å; E305-R313 PolarHBondContact OE2-NH2 3.43Å; E305-Y316 HydrophobicContact CB-CE1 4.13Å; E305-Y316 HydrophobicContact CG-CE1 4.07Å
306A97Very high93.7Very high0 Ų043 Ų430%018%0.184CC..Hα-helixtrans-62.3-35.9177.800000112.4R181 I183 M228 A302 Y303 Y316R181-A306 WeakPolarHBondContact CD-O 3.49Å; R181-A306 PolarHBondContact NH1-O 3.32Å; I183-A306 HydrophobicContact CD1-CB 3.59Å; I183-A306 HydrophobicContact CG1-CB 4.03Å; I183-A306 HydrophobicContact CG2-CB 4.45Å; M228-A306 HydrophobicContact CE-CB 3.48Å; M228-A306 VanDerWaalsContact CE-CB 3.48Å; A302-A306 WeakPolarHBondContact O-CB 3.27Å; A302-A306 PolarHBondContact O-N 3.1Å; Y303-A306 PolarHBondContact O-N 3.3Å; Y303-A306 VanDerWaalsContact O-N 3.13Å; A306-Y316 VanDerWaalsContact CA-OH 3.31Å; A306-Y316 WeakPolarHBondContact CA-OH 3.35Å; A306-Y316 HydrophobicContact CB-CD2 4.29Å; A306-Y316 HydrophobicContact CB-CE1 4.5Å; A306-Y316 HydrophobicContact CB-CE2 3.57Å; A306-Y316 PolarHBondContact N-OH 3.29Å
307I98.1Very high94Very high1 Ų143.9 Ų43.91%0.00519%0.192CC..Hα-helixtrans-76.1-49.4177.6-65.9167.4000110.8V48 L61 T65 M70 W130 A131 V133 R181 I183 Y303 E304 E305V48-I307 HydrophobicContact CG1-CD1 4.15Å; V48-I307 HydrophobicContact CG2-CG2 4.16Å; L61-I307 HydrophobicContact CD1-CD1 3.97Å; L61-I307 HydrophobicContact CD2-CD1 4.2Å; L61-I307 HydrophobicContact CG-CD1 4.45Å; T65-I307 HydrophobicContact CG2-CD1 4.07Å; M70-I307 HydrophobicContact CE-CG2 3.63Å; M70-I307 HydrophobicContact SD-CG2 3.99Å; W130-I307 PolarHBondContact NE1-O 2.73Å; A131-I307 HydrophobicContact CB-CG1 4.1Å; A131-I307 HydrophobicContact CB-CG2 4.21Å; V133-I307 HydrophobicContact CG2-CD1 4.08Å; V133-I307 HydrophobicContact CG2-CG1 4.45Å; R181-I307 PolarHBondContact NH1-O 3.48Å; I183-I307 HydrophobicContact CD1-CD1 4.47Å; I183-I307 HydrophobicContact CD1-CG1 3.49Å; I183-I307 VanDerWaalsContact CD1-CG1 3.49Å; Y303-I307 VanDerWaalsContact O-CG1 3.26Å; Y303-I307 WeakPolarHBondContact O-CG1 3.47Å; Y303-I307 PolarHBondContact O-N 3.47Å; E304-I307 PolarHBondContact O-N 3.09Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.95Å
308T96.7Very high94.1Very high10 Ų1041.3 Ų41.36%0.06118%0.181CC..Hα-helixtrans-100.7-21.3-162.965.30000114.3T39 I40 L43 L68 M70 E304 E305T39-T308 CarbonylContact C-O 3.54Å; T39-T308 VanDerWaalsContact CA-O 3.27Å; T39-T308 WeakPolarHBondContact CA-O 3.38Å; I40-T308 WeakPolarHBondContact CG1-O 3.46Å; I40-T308 PolarHBondContact N-O 3.48Å; L43-T308 HydrophobicContact CD2-CG2 4.21Å; L68-T308 HydrophobicContact CD1-CG2 4.29Å; M70-T308 HydrophobicContact SD-CG2 4.33Å; E304-T308 HydrophobicContact CG-CG2 4.17Å; E304-T308 VanDerWaalsContact O-CB 3.32Å; E304-T308 WeakPolarHBondContact O-CB 3.27Å; E304-T308 WeakPolarHBondContact O-CG2 3.42Å; E304-T308 PolarHBondContact O-N 2.77Å; E304-T308 PolarHBondContact O-OG1 3.23Å; E305-T308 PolarHBondContact O-N 3.26Å
309S94.7Very high93.8Very high3 Ų338.3 Ų38.32%0.02117%0.169CC..BIsolated β-bridgetrans-65.6141.7-178.7-179.30000110.6R35 S38 R181 E305 Y311R35-S309 PolarHBondContact O-OG 2.97Å; S38-S309 CarbonylContact O-C 3.58Å; S38-S309 WeakPolarHBondContact O-CA 3.27Å; S38-S309 PolarHBondContact O-OG 3.35Å; R181-S309 PolarHBondContact NH1-O 3.25Å; R181-S309 PolarHBondContact NH2-O 3.48Å; E305-S309 WeakPolarHBondContact O-CB 3.18Å; E305-S309 PolarHBondContact O-N 3.45Å; S309-Y311 PolarHBondContact O-N 2.98Å; S309-Y311 PolarHBondContact OG-N 2.79Å; S309-Y311 VanDerWaalsContact OG-N 3.09Å
310K93.6Very high92.9Very high111 Ų11144.3 Ų44.348%0.48320%0.2SC..SBendtrans-63.6-27.6169-170.4173.9-179.61780111.7S38S38-K310 PolarHBondContact O-N 3.01Å; S38-K310 VanDerWaalsContact OG-CB 3.29Å; S38-K310 WeakPolarHBondContact OG-CB 2.99Å; S38-K310 WeakPolarHBondContact OG-CD 3.43Å
311Y91.6Very high91.9Very high110 Ų11045.5 Ų45.543%0.43121%0.207SC..SBendtrans-131.565.2-172.5-58.4-63.9000111.3R35 S309R35-Y311 PolarHBondContact NH1-O 2.72Å; S309-Y311 PolarHBondContact O-N 2.98Å; S309-Y311 PolarHBondContact OG-N 2.79Å; S309-Y311 VanDerWaalsContact OG-N 3.09Å
312P93.9Very high91.2Very high7 Ų738.1 Ų38.15%0.04518%0.179CC..  trans-59.9161.4-178.330-38.6000112F224 Y316F224-P312 HydrophobicContact CD1-CB 3.98Å; F224-P312 HydrophobicContact CD1-CG 3.39Å; F224-P312 HydrophobicContact CD2-CG 4.02Å; F224-P312 HydrophobicContact CE1-CB 3.65Å; F224-P312 HydrophobicContact CE1-CG 3.37Å; F224-P312 HydrophobicContact CE2-CG 3.99Å; F224-P312 HydrophobicContact CG-CG 3.73Å; F224-P312 HydrophobicContact CZ-CB 4.17Å; F224-P312 HydrophobicContact CZ-CG 3.69Å; F224-P312 VanDerWaalsContact CZ-O 3.3Å; F224-P312 WeakPolarHBondContact CZ-O 3.43Å; P312-Y316 WeakPolarHBondContact CA-OH 3.3Å
313R93.2Very high90.2Very high69 Ų6944.6 Ų44.626%0.2621%0.206SC..  trans-93.6149.7177.7-49.9-178.6-146.716310.2109.9F224 S226 E305 Y316F224-R313 WeakPolarHBondContact CE1-O 3.34Å; S226-R313 PolarHBondContact OG-O 2.72Å; E305-R313 IonicContact OE1-CZ 3.65Å; E305-R313 VanDerWaalsContact OE1-CZ 3.24Å; E305-R313 IonicContact OE1-NE 2.9Å; E305-R313 PolarHBondContact OE1-NE 3.29Å; E305-R313 IonicContact OE1-NH2 2.77Å; E305-R313 PolarHBondContact OE1-NH2 3.08Å; E305-R313 IonicContact OE2-CZ 3.69Å; E305-R313 IonicContact OE2-NH2 3.67Å; E305-R313 PolarHBondContact OE2-NH2 3.43Å; R313-Y316 HydrophobicContact CB-CD2 4.26Å; R313-Y316 HydrophobicContact CB-CE1 4.22Å; R313-Y316 HydrophobicContact CB-CE2 3.8Å; R313-Y316 HydrophobicContact CG-CE1 4.12Å; R313-Y316 PolarHBondContact N-OH 3.01Å; R313-Y316 WeakPolarHBondContact O-CE2 3.37Å
314Y95.3Very high89.1Confident130 Ų13050.4 Ų50.451%0.5124%0.236SC..SBendtrans-69.6-36.6174.9-61.1-67000112.6R215 F224 S226 V227R215-Y314 PolarHBondContact NH2-O 3.07Å; F224-Y314 HydrophobicContact CD2-CE1 4.25Å; F224-Y314 HydrophobicContact CE1-CD1 4.16Å; F224-Y314 HydrophobicContact CE1-CE1 4.44Å; F224-Y314 AromaticContact CE2-CD1 3.86Å; F224-Y314 HydrophobicContact CE2-CD1 3.86Å; F224-Y314 AromaticContact CE2-CE1 3.32Å; F224-Y314 HydrophobicContact CE2-CE1 3.32Å; F224-Y314 AromaticContact CE2-CZ 3.85Å; F224-Y314 AromaticContact CZ-CD1 3.45Å; F224-Y314 HydrophobicContact CZ-CD1 3.45Å; F224-Y314 VanDerWaalsContact CZ-CD1 3.45Å; F224-Y314 AromaticContact CZ-CE1 3.45Å; F224-Y314 HydrophobicContact CZ-CE1 3.45Å; F224-Y314 VanDerWaalsContact CZ-CE1 3.45Å; F224-Y314 HydrophobicContact CZ-CG 4.13Å; S226-Y314 CarbonylContact C-O 3.47Å; S226-Y314 WeakPolarHBondContact CA-O 2.95Å; V227-Y314 PolarHBondContact N-O 3.47Å
315R95.1Very high88.1Confident54 Ų5450.3 Ų50.320%0.20424%0.237CC..EExtended strand (participates in β ladder)trans-129131180-58.5-166.8162.4-101.43.2110.5R191 D208 D212 V227 E229R191-R315 VanDerWaalsContact NH1-CZ 3.33Å; D208-R315 IonicContact OD2-CZ 2.61Å; D208-R315 IonicContact OD2-NH1 2.67Å; D208-R315 PolarHBondContact OD2-NH1 3.43Å; D208-R315 IonicContact OD2-NH2 3.3Å; D212-R315 IonicContact OD1-CZ 2.77Å; D212-R315 IonicContact OD1-NE 3.75Å; D212-R315 IonicContact OD1-NH2 3.43Å; D212-R315 PolarHBondContact OD1-NH2 3.07Å; D212-R315 IonicContact OD2-CZ 2.61Å; D212-R315 IonicContact OD2-NH2 3.71Å; D212-R315 PolarHBondContact OD2-NH2 2.97Å; V227-R315 HydrophobicContact CG1-CB 4.08Å; V227-R315 HydrophobicContact CG1-CG 3.67Å; E229-R315 IonicContact OE1-CZ 3.21Å; E229-R315 IonicContact OE1-NH1 2.88Å; E229-R315 PolarHBondContact OE1-NH1 3.34Å
316Y94.5Very high87.4Confident2 Ų249 Ų491%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-116.587.9177.7-73.6-94.1000109.2V227 M228 E229 A302 E305 A306 P312 R313V227-Y316 PolarHBondContact O-N 3.1Å; M228-Y316 HydrophobicContact CE-CD1 4.35Å; M228-Y316 HydrophobicContact CE-CD2 3.7Å; M228-Y316 HydrophobicContact CE-CE2 4.21Å; M228-Y316 HydrophobicContact CE-CG 3.78Å; M228-Y316 WeakPolarHBondContact SD-CB 3.07Å; M228-Y316 HydrophobicContact SD-CD2 4.2Å; M228-Y316 HydrophobicContact SD-CG 3.84Å; E229-Y316 PolarHBondContact N-O 3.2Å; A302-Y316 HydrophobicContact CB-CD1 3.95Å; A302-Y316 HydrophobicContact CB-CG 4.49Å; E305-Y316 HydrophobicContact CB-CE1 4.13Å; E305-Y316 HydrophobicContact CG-CE1 4.07Å; A306-Y316 VanDerWaalsContact CA-OH 3.31Å; A306-Y316 WeakPolarHBondContact CA-OH 3.35Å; A306-Y316 HydrophobicContact CB-CD2 4.29Å; A306-Y316 HydrophobicContact CB-CE1 4.5Å; A306-Y316 HydrophobicContact CB-CE2 3.57Å; A306-Y316 PolarHBondContact N-OH 3.29Å; P312-Y316 WeakPolarHBondContact CA-OH 3.3Å; R313-Y316 HydrophobicContact CB-CD2 4.26Å; R313-Y316 HydrophobicContact CB-CE1 4.22Å; R313-Y316 HydrophobicContact CB-CE2 3.8Å; R313-Y316 HydrophobicContact CG-CE1 4.12Å; R313-Y316 PolarHBondContact N-OH 3.01Å; R313-Y316 WeakPolarHBondContact O-CE2 3.37Å
317S91.3Very high86.8Confident48 Ų4850.3 Ų50.334%0.33624%0.237SC..EExtended strand (participates in β ladder)trans-81.4118.7171.5-32.20000109E229E229-S317 WeakPolarHBondContact O-CA 3.39Å; E229-S317 PolarHBondContact OE2-OG 3.06Å
318V88.5Confident86Confident13 Ų1353.6 Ų53.68%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-123.9132.8-170.2-172.90000109.7E229 P230 G231 F233 M298 V299 A302 A322E229-V318 PolarHBondContact O-N 3.28Å; P230-V318 CarbonylContact C-O 3.53Å; P230-V318 WeakPolarHBondContact CA-O 3.23Å; G231-V318 PolarHBondContact N-O 3.47Å; F233-V318 HydrophobicContact CE2-CG1 4.4Å; F233-V318 WeakPolarHBondContact CE2-O 3.23Å; F233-V318 HydrophobicContact CZ-CG1 3.98Å; M298-V318 HydrophobicContact CB-CG1 3.73Å; V299-V318 HydrophobicContact CB-CG1 4.48Å; V299-V318 HydrophobicContact CG2-CB 4.15Å; V299-V318 HydrophobicContact CG2-CG1 3.74Å; A302-V318 HydrophobicContact CB-CG2 3.54Å; V318-A322 WeakPolarHBondContact O-CB 3.38Å
319G83.3Confident85.2Confident10 Ų1054 Ų5410%0.10326%0.26CS..SBendtrans114.5146.8-175.600000111.5D321 F323G319-D321 VanDerWaalsContact C-N 3.35Å; G319-F323 PolarHBondContact O-N 3.26Å
320L75Confident84.8Confident128 Ų12855.4 Ų55.467%0.6727%0.272SS*.Hα-helixtrans-70.1-37.9177-72.2175.8000110.9A322 F323 L324L320-A322 VanDerWaalsContact C-N 3.35Å; L320-F323 PolarHBondContact O-N 3.01Å; L320-L324 HydrophobicContact CB-CD1 4.43Å; L320-L324 VanDerWaalsContact O-CB 3.26Å; L320-L324 WeakPolarHBondContact O-CB 3.38Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.24Å
321D71.9Confident84.4Confident25 Ų2558.2 Ų58.213%0.13428%0.281CS..Hα-helixtrans-61.5-42.417464.5-43.9000111.5G231 F232 L273 G319 F323 L325 W326G231-D321 WeakPolarHBondContact CA-OD2 3.27Å; F232-D321 WeakPolarHBondContact CD2-OD2 3.45Å; F232-D321 PolarHBondContact N-OD2 3.07Å; L273-D321 HydrophobicContact CD2-CB 4.01Å; G319-D321 VanDerWaalsContact C-N 3.35Å; D321-F323 VanDerWaalsContact C-N 3.32Å; D321-F323 PolarHBondContact O-N 3.41Å; D321-L325 WeakPolarHBondContact O-CB 3.33Å; D321-L325 PolarHBondContact O-N 3.47Å; D321-W326 VanDerWaalsContact C-CD1 3.45Å; D321-W326 VanDerWaalsContact O-CD1 3.25Å; D321-W326 PolarHBondContact O-N 2.94Å; D321-W326 PolarHBondContact OD2-NE1 3.03Å
322A78.6Confident84.1Confident0 Ų054.2 Ų54.20%027%0.271CS..Iπ-helixtrans-54.9-49174.800000111.6V188 V318 L320 L327V188-A322 HydrophobicContact CG1-CB 3.36Å; V318-A322 WeakPolarHBondContact O-CB 3.38Å; L320-A322 VanDerWaalsContact C-N 3.35Å; A322-L327 WeakPolarHBondContact O-CB 3.48Å; A322-L327 VanDerWaalsContact O-CG 3.24Å; A322-L327 WeakPolarHBondContact O-CG 3.32Å; A322-L327 PolarHBondContact O-N 2.84Å
323F74.3Confident83.9Confident146 Ų14657.4 Ų57.464%0.6429%0.291SS*.Iπ-helixtrans-78-41-175.6-175.1-101.5000114G319 L320 D321 P328G319-F323 PolarHBondContact O-N 3.26Å; L320-F323 PolarHBondContact O-N 3.01Å; D321-F323 VanDerWaalsContact C-N 3.32Å; D321-F323 PolarHBondContact O-N 3.41Å; F323-P328 VanDerWaalsContact O-CD 3.23Å; F323-P328 WeakPolarHBondContact O-CD 3.45Å; F323-P328 WeakPolarHBondContact O-CG 3.5Å
324L74.5Confident83.5Confident121 Ų12159 Ų5963%0.63431%0.309SS*.Iπ-helixtrans-91.2-21.2-170.9-63.5175.2000113.8L320L320-L324 HydrophobicContact CB-CD1 4.43Å; L320-L324 VanDerWaalsContact O-CB 3.26Å; L320-L324 WeakPolarHBondContact O-CB 3.38Å; L320-L324 WeakPolarHBondContact O-CG 3.45Å; L320-L324 PolarHBondContact O-N 3.24Å
325L74Confident83.2Confident38 Ų3861.1 Ų61.120%0.19932%0.316CS..Iπ-helixtrans-122.2-62.2-175.7177.868.3000111.8L272 L273 D321 P328 L329L272-L325 HydrophobicContact CB-CD2 4.31Å; L272-L325 WeakPolarHBondContact O-CD1 3.29Å; L272-L325 WeakPolarHBondContact O-CD2 2.93Å; L273-L325 HydrophobicContact CD2-CD2 3.43Å; L273-L325 VanDerWaalsContact CD2-CD2 3.43Å; L273-L325 HydrophobicContact CG-CD2 3.82Å; D321-L325 WeakPolarHBondContact O-CB 3.33Å; D321-L325 PolarHBondContact O-N 3.47Å; L325-P328 WeakPolarHBondContact O-CD 3.44Å; L325-L329 VanDerWaalsContact O-CB 3.32Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 PolarHBondContact O-N 3.32Å
326W80.9Confident82.6Confident4 Ų462.1 Ų62.12%0.01532%0.322CS..Iπ-helixtrans-73-44.1-165.1-58.4118.3000113.2V188 V192 F232 I269 L272 D321 L329 A330V188-W326 HydrophobicContact CB-CB 3.82Å; V188-W326 HydrophobicContact CB-CG 4.07Å; V188-W326 HydrophobicContact CG1-CB 4.06Å; V188-W326 HydrophobicContact CG1-CG 4.39Å; V188-W326 HydrophobicContact CG2-CB 4.27Å; V188-W326 HydrophobicContact CG2-CG 3.96Å; V192-W326 WeakPolarHBondContact CG1-O 3.24Å; V192-W326 HydrophobicContact CG2-CB 4.3Å; V192-W326 HydrophobicContact CG2-CD2 4.44Å; V192-W326 HydrophobicContact CG2-CE3 3.82Å; F232-W326 HydrophobicContact CD2-CZ2 4.06Å; F232-W326 AromaticContact CD2-NE1 3.67Å; F232-W326 AromaticContact CE2-CE2 3.56Å; F232-W326 HydrophobicContact CE2-CH2 4.22Å; F232-W326 AromaticContact CE2-CZ2 3.33Å; F232-W326 HydrophobicContact CE2-CZ2 3.33Å; F232-W326 AromaticContact CE2-NE1 3.57Å; F232-W326 HydrophobicContact CZ-CZ2 4.19Å; I269-W326 HydrophobicContact CG2-CZ2 4.32Å; L272-W326 HydrophobicContact CB-CH2 3.86Å; L272-W326 HydrophobicContact CB-CZ3 4.43Å; L272-W326 HydrophobicContact CD1-CH2 3.53Å; L272-W326 HydrophobicContact CD1-CZ3 3.9Å; L272-W326 HydrophobicContact CG-CH2 4.19Å; L272-W326 HydrophobicContact CG-CZ3 4.5Å; D321-W326 VanDerWaalsContact C-CD1 3.45Å; D321-W326 VanDerWaalsContact O-CD1 3.25Å; D321-W326 PolarHBondContact O-N 2.94Å; D321-W326 PolarHBondContact OD2-NE1 3.03Å; W326-L329 HydrophobicContact CE3-CD2 4.31Å; W326-L329 HydrophobicContact CZ3-CD2 4.41Å; W326-L329 PolarHBondContact O-N 3.39Å; W326-A330 PolarHBondContact O-N 2.98Å
327L83.5Confident81.8Confident26 Ų2663.5 Ų63.514%0.13633%0.332CS..Hα-helixtrans-65.3-46.1177-72.4176.6000112.6R191 A322 L329 A330 Y331R191-L327 HydrophobicContact CG-CD2 4.32Å; A322-L327 WeakPolarHBondContact O-CB 3.48Å; A322-L327 VanDerWaalsContact O-CG 3.24Å; A322-L327 WeakPolarHBondContact O-CG 3.32Å; A322-L327 PolarHBondContact O-N 2.84Å; L327-L329 VanDerWaalsContact C-N 3.26Å; L327-L329 PolarHBondContact O-N 3.02Å; L327-A330 VanDerWaalsContact O-CB 3.29Å; L327-A330 WeakPolarHBondContact O-CB 3.25Å; L327-A330 PolarHBondContact O-N 3.45Å; L327-A330 VanDerWaalsContact O-N 3.1Å; L327-Y331 WeakPolarHBondContact O-CD2 2.9Å; L327-Y331 PolarHBondContact O-N 3.3Å
328P81.9Confident81.2Confident70 Ų7066.5 Ų66.546%0.45534%0.344SS..Hα-helixtrans-55.1-42.3171.4-28.735.7000112.8F323 L325 A330 Y331 A332F323-P328 VanDerWaalsContact O-CD 3.23Å; F323-P328 WeakPolarHBondContact O-CD 3.45Å; F323-P328 WeakPolarHBondContact O-CG 3.5Å; L325-P328 WeakPolarHBondContact O-CD 3.44Å; P328-A330 VanDerWaalsContact C-N 3.29Å; P328-A330 PolarHBondContact O-N 3.06Å; P328-Y331 PolarHBondContact O-N 3.05Å; P328-A332 PolarHBondContact O-N 3.31Å; P328-A332 VanDerWaalsContact O-N 3.07Å
329L78.9Confident80.8Confident20 Ų2072.4 Ų72.411%0.10537%0.365CS..Hα-helixtrans-64.5-33.3177.2-169.365.8000112.4V192 L325 W326 L327 Y331 A332 F336 L340V192-L329 HydrophobicContact CG1-CB 4.32Å; L325-L329 VanDerWaalsContact O-CB 3.32Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 PolarHBondContact O-N 3.32Å; W326-L329 HydrophobicContact CE3-CD2 4.31Å; W326-L329 HydrophobicContact CZ3-CD2 4.41Å; W326-L329 PolarHBondContact O-N 3.39Å; L327-L329 VanDerWaalsContact C-N 3.26Å; L327-L329 PolarHBondContact O-N 3.02Å; L329-Y331 VanDerWaalsContact C-N 3.27Å; L329-Y331 PolarHBondContact O-N 3.26Å; L329-A332 WeakPolarHBondContact O-CB 3.14Å; L329-A332 PolarHBondContact O-N 3.04Å; L329-F336 HydrophobicContact CD1-CD1 4.02Å; L329-F336 HydrophobicContact CD1-CE1 4.09Å; L329-L340 HydrophobicContact CD1-CD2 4.15Å; L329-L340 HydrophobicContact CD2-CD2 4.4Å
330A86.1Confident80.3Confident32 Ų3273.2 Ų73.226%0.26437%0.366SS..Hα-helixtrans-63.3-31.3175.500000113.4R191 V192 W326 L327 P328R191-A330 HydrophobicContact CB-CB 4.06Å; R191-A330 WeakPolarHBondContact O-CB 3.37Å; V192-A330 VanDerWaalsContact CG1-CA 3.47Å; V192-A330 HydrophobicContact CG1-CB 3.5Å; W326-A330 PolarHBondContact O-N 2.98Å; L327-A330 VanDerWaalsContact O-CB 3.29Å; L327-A330 WeakPolarHBondContact O-CB 3.25Å; L327-A330 PolarHBondContact O-N 3.45Å; L327-A330 VanDerWaalsContact O-N 3.1Å; P328-A330 VanDerWaalsContact C-N 3.29Å; P328-A330 PolarHBondContact O-N 3.06Å
331Y86.4Confident80.1Confident169 Ų16969 Ų6966%0.66335%0.347SS*.Hα-helixtrans-94.1-8.1177.6-65.6-70.5000112.9R191 L327 P328 L329R191-Y331 PolarHBondContact NH2-OH 3.24Å; R191-Y331 VanDerWaalsContact NH2-OH 3.15Å; L327-Y331 WeakPolarHBondContact O-CD2 2.9Å; L327-Y331 PolarHBondContact O-N 3.3Å; P328-Y331 PolarHBondContact O-N 3.05Å; L329-Y331 VanDerWaalsContact C-N 3.27Å; L329-Y331 PolarHBondContact O-N 3.26Å
332A84.9Confident80.1Confident27 Ų2770.4 Ų70.422%0.22336%0.363CS..SBendtrans-71.4149.6177.800000110.8P328 L329 F336P328-A332 PolarHBondContact O-N 3.31Å; P328-A332 VanDerWaalsContact O-N 3.07Å; L329-A332 WeakPolarHBondContact O-CB 3.14Å; L329-A332 PolarHBondContact O-N 3.04Å; A332-F336 HydrophobicContact CB-CB 4.44Å; A332-F336 HydrophobicContact CB-CD1 3.72Å; A332-F336 HydrophobicContact CB-CE1 4.5Å; A332-F336 HydrophobicContact CB-CG 4.46Å
333P89.2Confident79.6Confident74 Ų7472.9 Ų72.948%0.48138%0.375SS..  trans-56.4143.9172.2-2534.7000111.9W335 F336 S337P333-W335 VanDerWaalsContact CB-CD1 3.43Å; P333-W335 HydrophobicContact CB-CG 4.31Å; P333-W335 VanDerWaalsContact CB-NE1 3.31Å; P333-W335 PolarHBondContact O-N 2.75Å; P333-W335 VanDerWaalsContact O-N 3.11Å; P333-F336 WeakPolarHBondContact O-CB 3.5Å; P333-F336 PolarHBondContact O-N 2.93Å; P333-S337 PolarHBondContact O-N 2.7Å
334T86.5Confident79.1Confident103 Ų10365.9 Ų65.963%0.63235%0.345SS*.Hα-helixtrans-55.2-34.9-178-49.90000113.3F336 S337 L338T334-F336 PolarHBondContact O-N 2.84Å; T334-S337 PolarHBondContact O-N 3.32Å; T334-S337 PolarHBondContact O-OG 3.09Å; T334-L338 HydrophobicContact CG2-CD1 4.05Å; T334-L338 HydrophobicContact CG2-CG 4.23Å; T334-L338 WeakPolarHBondContact O-CB 3.46Å; T334-L338 VanDerWaalsContact O-CG 3.26Å; T334-L338 WeakPolarHBondContact O-CG 3.18Å; T334-L338 PolarHBondContact O-N 3.31Å
335W88Confident78.5Confident173 Ų17361.6 Ų61.666%0.65533%0.33SS*.Hα-helixtrans-62-31.8177.371.1-100.6000112.2P333 W339P333-W335 VanDerWaalsContact CB-CD1 3.43Å; P333-W335 HydrophobicContact CB-CG 4.31Å; P333-W335 VanDerWaalsContact CB-NE1 3.31Å; P333-W335 PolarHBondContact O-N 2.75Å; P333-W335 VanDerWaalsContact O-N 3.11Å; W335-W339 VanDerWaalsContact O-CB 3.23Å; W335-W339 WeakPolarHBondContact O-CB 3.37Å; W335-W339 PolarHBondContact O-N 3.25Å
336F83.2Confident78.1Confident75 Ų7568.5 Ų68.533%0.32936%0.358SS..Hα-helixtrans-72.9-44.2179.3179.5-102.8000111L329 A332 P333 T334 L338 W339 L340L329-F336 HydrophobicContact CD1-CD1 4.02Å; L329-F336 HydrophobicContact CD1-CE1 4.09Å; A332-F336 HydrophobicContact CB-CB 4.44Å; A332-F336 HydrophobicContact CB-CD1 3.72Å; A332-F336 HydrophobicContact CB-CE1 4.5Å; A332-F336 HydrophobicContact CB-CG 4.46Å; P333-F336 WeakPolarHBondContact O-CB 3.5Å; P333-F336 PolarHBondContact O-N 2.93Å; T334-F336 PolarHBondContact O-N 2.84Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.38Å; F336-W339 HydrophobicContact CD2-CE3 4.16Å; F336-W339 HydrophobicContact CE2-CE3 4.01Å; F336-W339 AromaticContact CE2-CZ3 3.96Å; F336-W339 HydrophobicContact CE2-CZ3 3.96Å; F336-W339 PolarHBondContact O-N 3.19Å; F336-L340 WeakPolarHBondContact O-CB 3.2Å; F336-L340 PolarHBondContact O-N 3.24Å
337S76.4Confident77Confident32 Ų3272.6 Ų72.622%0.22438%0.38CS..Hα-helixtrans-64.8-35.2174.959.60000112.1P333 T334 S341P333-S337 PolarHBondContact O-N 2.7Å; T334-S337 PolarHBondContact O-N 3.32Å; T334-S337 PolarHBondContact O-OG 3.09Å; S337-S341 VanDerWaalsContact O-CB 3.23Å; S337-S341 WeakPolarHBondContact O-CB 3.41Å; S337-S341 PolarHBondContact O-N 3.24Å; S337-S341 PolarHBondContact O-OG 3.48Å
338L80.1Confident75.8Confident110 Ų11071.6 Ų71.658%0.57637%0.374SS*.Hα-helixtrans-69.9-41.4173.5-71.5177.1000112.2T334 F336 S341 A342T334-L338 HydrophobicContact CG2-CD1 4.05Å; T334-L338 HydrophobicContact CG2-CG 4.23Å; T334-L338 WeakPolarHBondContact O-CB 3.46Å; T334-L338 VanDerWaalsContact O-CG 3.26Å; T334-L338 WeakPolarHBondContact O-CG 3.18Å; T334-L338 PolarHBondContact O-N 3.31Å; F336-L338 VanDerWaalsContact C-N 3.3Å; F336-L338 PolarHBondContact O-N 3.38Å; L338-S341 CarbonylContact O-C 3.36Å; L338-S341 PolarHBondContact O-N 3.09Å; L338-A342 VanDerWaalsContact O-CB 3.27Å; L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 2.81Å
339W79.6Confident75Confident138 Ų13871.6 Ų71.652%0.52337%0.371SS..Hα-helixtrans-60.8-47174.9174.180.7000111.1W335 F336 S341 A342 I343W335-W339 VanDerWaalsContact O-CB 3.23Å; W335-W339 WeakPolarHBondContact O-CB 3.37Å; W335-W339 PolarHBondContact O-N 3.25Å; F336-W339 HydrophobicContact CD2-CE3 4.16Å; F336-W339 HydrophobicContact CE2-CE3 4.01Å; F336-W339 AromaticContact CE2-CZ3 3.96Å; F336-W339 HydrophobicContact CE2-CZ3 3.96Å; F336-W339 PolarHBondContact O-N 3.19Å; W339-S341 VanDerWaalsContact C-N 3.35Å; W339-S341 PolarHBondContact O-N 2.87Å; W339-A342 PolarHBondContact O-N 2.76Å; W339-I343 HydrophobicContact CD2-CD1 3.77Å; W339-I343 VanDerWaalsContact CE2-CD1 3.43Å; W339-I343 HydrophobicContact CE3-CD1 4.01Å; W339-I343 HydrophobicContact CG-CD1 4.49Å; W339-I343 HydrophobicContact CH2-CD1 3.68Å; W339-I343 HydrophobicContact CZ2-CD1 3.42Å; W339-I343 VanDerWaalsContact CZ2-CD1 3.42Å; W339-I343 HydrophobicContact CZ3-CD1 3.97Å; W339-I343 WeakPolarHBondContact O-CG1 3.48Å; W339-I343 PolarHBondContact O-N 2.98Å
340L72.7Confident74Confident26 Ų2671.9 Ų71.914%0.13637%0.373CS..Hα-helixtrans-58.4-49174.3-167.670.2000110.3F271 L272 L329 F336 A342 I343 V344F271-L340 HydrophobicContact CE1-CD1 3.65Å; F271-L340 HydrophobicContact CE1-CG 4.15Å; F271-L340 HydrophobicContact CZ-CD1 4.41Å; L272-L340 HydrophobicContact CD2-CD2 3.6Å; L272-L340 HydrophobicContact CD2-CG 4.14Å; L329-L340 HydrophobicContact CD1-CD2 4.15Å; L329-L340 HydrophobicContact CD2-CD2 4.4Å; F336-L340 WeakPolarHBondContact O-CB 3.2Å; F336-L340 PolarHBondContact O-N 3.24Å; L340-A342 VanDerWaalsContact C-N 3.34Å; L340-A342 PolarHBondContact O-N 2.96Å; L340-I343 PolarHBondContact O-N 3.4Å; L340-V344 WeakPolarHBondContact O-CG2 3.35Å; L340-V344 PolarHBondContact O-N 3.3Å; L340-V344 VanDerWaalsContact O-N 3.11Å
341S69.9Low72.9Confident39 Ų3975.6 Ų75.627%0.27339%0.388SS..Hα-helixtrans-60-38.6177.9-64.40000113.2S337 L338 W339 V344 G345S337-S341 VanDerWaalsContact O-CB 3.23Å; S337-S341 WeakPolarHBondContact O-CB 3.41Å; S337-S341 PolarHBondContact O-N 3.24Å; S337-S341 PolarHBondContact O-OG 3.48Å; L338-S341 CarbonylContact O-C 3.36Å; L338-S341 PolarHBondContact O-N 3.09Å; W339-S341 VanDerWaalsContact C-N 3.35Å; W339-S341 PolarHBondContact O-N 2.87Å; S341-V344 PolarHBondContact O-N 3.3Å; S341-G345 PolarHBondContact O-N 2.83Å
342A72.2Confident72Confident55 Ų5572.9 Ų72.946%0.45538%0.38SS..Hα-helixtrans-70.8-37.8179.300000112.1L338 W339 L340 V344 G345 K346L338-A342 VanDerWaalsContact O-CB 3.27Å; L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 2.81Å; W339-A342 PolarHBondContact O-N 2.76Å; L340-A342 VanDerWaalsContact C-N 3.34Å; L340-A342 PolarHBondContact O-N 2.96Å; A342-V344 PolarHBondContact O-N 3.45Å; A342-G345 PolarHBondContact O-N 2.78Å; A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 2.87Å
343I69.5Low70.8Confident52 Ų5272.3 Ų72.327%0.26737%0.373SS..Hα-helixtrans-59.5-44.5170.5-64.5165000108.9F271 W339 L340 K346 I347F271-I343 HydrophobicContact CE1-CB 4.24Å; F271-I343 HydrophobicContact CE1-CG2 4.08Å; F271-I343 HydrophobicContact CE2-CG2 3.6Å; F271-I343 HydrophobicContact CZ-CB 3.84Å; F271-I343 HydrophobicContact CZ-CG2 3.24Å; W339-I343 HydrophobicContact CD2-CD1 3.77Å; W339-I343 VanDerWaalsContact CE2-CD1 3.43Å; W339-I343 HydrophobicContact CE3-CD1 4.01Å; W339-I343 HydrophobicContact CG-CD1 4.49Å; W339-I343 HydrophobicContact CH2-CD1 3.68Å; W339-I343 HydrophobicContact CZ2-CD1 3.42Å; W339-I343 VanDerWaalsContact CZ2-CD1 3.42Å; W339-I343 HydrophobicContact CZ3-CD1 3.97Å; W339-I343 WeakPolarHBondContact O-CG1 3.48Å; W339-I343 PolarHBondContact O-N 2.98Å; L340-I343 PolarHBondContact O-N 3.4Å; I343-K346 PolarHBondContact O-N 3.49Å; I343-I347 HydrophobicContact CG2-CD1 3.94Å; I343-I347 VanDerWaalsContact O-CG1 3.29Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 3.33Å
344V62.5Low69.6Low0 Ų069.8 Ų69.80%036%0.356CS..Hα-helixtrans-65.9-46.2179.3-150.40000112.1L268 F271 L340 S341 A342 K346 I347 L348L268-V344 HydrophobicContact CB-CG1 4.38Å; L268-V344 HydrophobicContact CD1-CB 3.71Å; L268-V344 HydrophobicContact CD1-CG1 3.47Å; L268-V344 VanDerWaalsContact CD1-CG1 3.47Å; L268-V344 HydrophobicContact CD1-CG2 4.18Å; L268-V344 HydrophobicContact CG-CG1 4.41Å; F271-V344 HydrophobicContact CB-CG1 3.6Å; F271-V344 HydrophobicContact CB-CG2 4.27Å; F271-V344 HydrophobicContact CD1-CB 4.03Å; F271-V344 HydrophobicContact CD1-CG1 4.02Å; F271-V344 HydrophobicContact CD1-CG2 3.12Å; F271-V344 HydrophobicContact CE1-CG2 3.56Å; F271-V344 HydrophobicContact CG-CB 4.33Å; F271-V344 HydrophobicContact CG-CG1 3.88Å; F271-V344 HydrophobicContact CG-CG2 3.86Å; L340-V344 WeakPolarHBondContact O-CG2 3.35Å; L340-V344 PolarHBondContact O-N 3.3Å; L340-V344 VanDerWaalsContact O-N 3.11Å; S341-V344 PolarHBondContact O-N 3.3Å; A342-V344 PolarHBondContact O-N 3.45Å; V344-K346 PolarHBondContact O-N 2.9Å; V344-I347 PolarHBondContact O-N 2.91Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.14Å; V344-L348 WeakPolarHBondContact O-CB 3.37Å; V344-L348 VanDerWaalsContact O-CG 3.24Å; V344-L348 WeakPolarHBondContact O-CG 3.32Å; V344-L348 PolarHBondContact O-N 3.2Å
345G61.8Low68.6Low31 Ų3170.3 Ų70.332%0.3235%0.351SS..Hα-helixtrans-56.3-38.3179.300000112.9S341 A342 L348 D349S341-G345 PolarHBondContact O-N 2.83Å; A342-G345 PolarHBondContact O-N 2.78Å; G345-L348 PolarHBondContact O-N 3.41Å; G345-D349 PolarHBondContact O-N 3.31Å
346K65Low67.4Low183 Ų18366.5 Ų66.580%0.79634%0.339SS*.Hα-helixtrans-65.7-39.2174.3-76.5-177.3-179.7-1770113.1A342 I343 V344 L348A342-K346 WeakPolarHBondContact O-CG 3.47Å; A342-K346 PolarHBondContact O-N 2.87Å; I343-K346 PolarHBondContact O-N 3.49Å; V344-K346 PolarHBondContact O-N 2.9Å; K346-L348 VanDerWaalsContact C-N 3.34Å
347I59.2Low66.6Low90 Ų9066.4 Ų66.446%0.46234%0.336SS..Hα-helixtrans-73-33.5179.8-55.6163.1000110.5L267 F271 I343 V344L267-I347 HydrophobicContact CD2-CB 4Å; L267-I347 HydrophobicContact CD2-CG2 3.3Å; F271-I347 HydrophobicContact CD2-CD1 3.51Å; F271-I347 HydrophobicContact CE2-CD1 3.55Å; F271-I347 HydrophobicContact CG-CD1 4.45Å; F271-I347 HydrophobicContact CZ-CD1 4.49Å; I343-I347 HydrophobicContact CG2-CD1 3.94Å; I343-I347 VanDerWaalsContact O-CG1 3.29Å; I343-I347 WeakPolarHBondContact O-CG1 3.46Å; I343-I347 PolarHBondContact O-N 3.33Å; V344-I347 PolarHBondContact O-N 2.91Å
348L56.9Low65.9Low5 Ų571.8 Ų71.83%0.02635%0.351CS..Hα-helixtrans-79.3-24.9-179.5-68.1179.1000115.1K264 L267 L268 V344 G345 K346 V350K264-L348 HydrophobicContact CB-CD2 4.06Å; K264-L348 WeakPolarHBondContact CD-O 3.04Å; K264-L348 WeakPolarHBondContact CE-O 3.15Å; K264-L348 HydrophobicContact CG-CD2 4.48Å; K264-L348 PolarHBondContact NZ-O 2.83Å; K264-L348 WeakPolarHBondContact O-CD2 3.19Å; L267-L348 HydrophobicContact CB-CD2 3.41Å; L267-L348 VanDerWaalsContact CB-CD2 3.41Å; L267-L348 HydrophobicContact CD2-CD2 3.55Å; L267-L348 HydrophobicContact CD2-CG 4.3Å; L267-L348 HydrophobicContact CG-CD2 4.03Å; L268-L348 HydrophobicContact CB-CD1 3.51Å; L268-L348 HydrophobicContact CD1-CD1 3.74Å; L268-L348 HydrophobicContact CD2-CD1 4.47Å; L268-L348 HydrophobicContact CG-CD1 4.05Å; V344-L348 HydrophobicContact CG1-CD1 3.92Å; V344-L348 HydrophobicContact CG1-CG 4.14Å; V344-L348 WeakPolarHBondContact O-CB 3.37Å; V344-L348 VanDerWaalsContact O-CG 3.24Å; V344-L348 WeakPolarHBondContact O-CG 3.32Å; V344-L348 PolarHBondContact O-N 3.2Å; G345-L348 PolarHBondContact O-N 3.41Å; K346-L348 VanDerWaalsContact C-N 3.34Å; L348-V350 HydrophobicContact CB-CG2 3.56Å; L348-V350 HydrophobicContact CD1-CG2 3.93Å; L348-V350 HydrophobicContact CG-CG2 4.41Å; L348-V350 PolarHBondContact O-N 3.38Å
349D65.4Low64.7Low70 Ų7071.2 Ų71.237%0.37435%0.352SS..THydrogen-bonded Turntrans51.444-173.6-162.113.1000111.5K264 G345 N351 K352K264-D349 PolarHBondContact NZ-O 3.12Å; G345-D349 PolarHBondContact O-N 3.31Å; D349-N351 PolarHBondContact O-N 2.98Å; D349-K352 PolarHBondContact O-N 3.33Å; D349-K352 VanDerWaalsContact OD1-CB 3.29Å; D349-K352 WeakPolarHBondContact OD1-CB 3.4Å; D349-K352 WeakPolarHBondContact OD2-CB 3.43Å; D349-K352 WeakPolarHBondContact OD2-CD 3.29Å
350V59.1Low63.5Low26 Ų2672.5 Ų72.516%0.15836%0.364CS..Hα-helixtrans-59.6-39.6-178.8-179.20000109.9L348 K352 I353 L354L348-V350 HydrophobicContact CB-CG2 3.56Å; L348-V350 HydrophobicContact CD1-CG2 3.93Å; L348-V350 HydrophobicContact CG-CG2 4.41Å; L348-V350 PolarHBondContact O-N 3.38Å; V350-K352 VanDerWaalsContact C-N 3.27Å; V350-K352 PolarHBondContact O-N 2.97Å; V350-I353 WeakPolarHBondContact O-CB 3.36Å; V350-I353 PolarHBondContact O-N 2.71Å; V350-L354 HydrophobicContact CG1-CD1 4.23Å; V350-L354 HydrophobicContact CG1-CD2 4.38Å; V350-L354 HydrophobicContact CG1-CG 4.21Å; V350-L354 WeakPolarHBondContact O-CG 3.25Å; V350-L354 PolarHBondContact O-N 3.15Å
351N62.6Low62.6Low110 Ų11076.2 Ų76.259%0.58839%0.392SS*.Hα-helixtrans-54.7-40.8179.8-70.7-14.3000112.6D349 I353 L354 E355D349-N351 PolarHBondContact O-N 2.98Å; N351-I353 PolarHBondContact O-N 3.14Å; N351-L354 PolarHBondContact O-N 2.81Å; N351-E355 WeakPolarHBondContact O-CB 3.05Å; N351-E355 WeakPolarHBondContact O-CG 3.41Å; N351-E355 PolarHBondContact O-N 2.84Å
352K66.7Low61.6Low112 Ų11281 Ų8149%0.48743%0.426SS..Hα-helixtrans-61.6-31.4178-174.5174.2-175.8176.20113.4D349 V350 K356D349-K352 PolarHBondContact O-N 3.33Å; D349-K352 VanDerWaalsContact OD1-CB 3.29Å; D349-K352 WeakPolarHBondContact OD1-CB 3.4Å; D349-K352 WeakPolarHBondContact OD2-CB 3.43Å; D349-K352 WeakPolarHBondContact OD2-CD 3.29Å; V350-K352 VanDerWaalsContact C-N 3.27Å; V350-K352 PolarHBondContact O-N 2.97Å; K352-K356 VanDerWaalsContact O-CG 3.3Å; K352-K356 WeakPolarHBondContact O-CG 3.43Å; K352-K356 PolarHBondContact O-N 3.18Å
353I60.7Low61.1Low15 Ų1582.4 Ų82.48%0.07742%0.424CS..Hα-helixtrans-74.2-44.9175.4-72179.1000110.8W147 E260 K264 V350 N351 E355 K356 R357W147-I353 HydrophobicContact CH2-CG2 3.44Å; W147-I353 VanDerWaalsContact CH2-CG2 3.44Å; W147-I353 HydrophobicContact CZ2-CG2 3.86Å; E260-I353 HydrophobicContact CG-CD1 3.95Å; K264-I353 HydrophobicContact CD-CD1 3.37Å; K264-I353 HydrophobicContact CD-CG1 4.41Å; K264-I353 VanDerWaalsContact CE-CD1 3.42Å; K264-I353 VanDerWaalsContact NZ-CD1 3.28Å; V350-I353 WeakPolarHBondContact O-CB 3.36Å; V350-I353 PolarHBondContact O-N 2.71Å; N351-I353 PolarHBondContact O-N 3.14Å; I353-E355 VanDerWaalsContact C-N 3.27Å; I353-E355 PolarHBondContact O-N 2.97Å; I353-K356 PolarHBondContact O-N 3.26Å; I353-R357 PolarHBondContact O-N 3.43Å
354L62.8Low60.6Low21 Ų2183.9 Ų83.911%0.1143%0.433CS..Hα-helixtrans-58.1-44.1176.3-55.8-175.7000110.1P144 E146 W147 V350 N351 R357 R358P144-L354 HydrophobicContact CB-CD2 3.64Å; P144-L354 HydrophobicContact CG-CD2 3.59Å; E146-L354 HydrophobicContact CG-CD1 4.42Å; E146-L354 HydrophobicContact CG-CD2 4.05Å; E146-L354 WeakPolarHBondContact OE1-CB 3.3Å; E146-L354 WeakPolarHBondContact OE1-CD2 3.48Å; W147-L354 HydrophobicContact CH2-CD2 4.46Å; W147-L354 HydrophobicContact CZ2-CD2 3.72Å; V350-L354 HydrophobicContact CG1-CD1 4.23Å; V350-L354 HydrophobicContact CG1-CD2 4.38Å; V350-L354 HydrophobicContact CG1-CG 4.21Å; V350-L354 WeakPolarHBondContact O-CG 3.25Å; V350-L354 PolarHBondContact O-N 3.15Å; N351-L354 PolarHBondContact O-N 2.81Å; L354-R357 PolarHBondContact O-N 3.3Å; L354-R358 PolarHBondContact O-N 3.03Å; L354-R358 VanDerWaalsContact O-N 3.12Å
355E66Low60.5Low113 Ų11388.6 Ų88.653%0.52846%0.457SS..Hα-helixtrans-64.1-45.3176.4-75.5176.7-17700113N351 I353 R357 R358 V359N351-E355 WeakPolarHBondContact O-CB 3.05Å; N351-E355 WeakPolarHBondContact O-CG 3.41Å; N351-E355 PolarHBondContact O-N 2.84Å; I353-E355 VanDerWaalsContact C-N 3.27Å; I353-E355 PolarHBondContact O-N 2.97Å; E355-R357 PolarHBondContact O-N 3.24Å; E355-R358 PolarHBondContact O-N 3.41Å; E355-V359 WeakPolarHBondContact O-CG2 3.44Å; E355-V359 PolarHBondContact O-N 3.01Å; E355-V359 VanDerWaalsContact O-N 3.14Å
356K63.3Low60.4Low94 Ų9492 Ų9241%0.40947%0.465SS..Hα-helixtrans-52.4-41.7176.3-83.9176-176.61770111.8E260 K352 I353 H360E260-K356 IonicContact OE1-NZ 2.89Å; E260-K356 PolarHBondContact OE1-NZ 2.86Å; E260-K356 IonicContact OE2-NZ 3.43Å; E260-K356 PolarHBondContact OE2-NZ 3.14Å; K352-K356 VanDerWaalsContact O-CG 3.3Å; K352-K356 WeakPolarHBondContact O-CG 3.43Å; K352-K356 PolarHBondContact O-N 3.18Å; I353-K356 PolarHBondContact O-N 3.26Å; K356-H360 PolarHBondContact O-N 3.32Å; K356-H360 PolarHBondContact O-ND1 2.89Å
357R65.6Low60.1Low72 Ų7286.3 Ų86.327%0.27244%0.444SS..Hα-helixtrans-75.6-38.6-178.8-123.4179.7-163.6-157.9-3.2113W147 R252 E257 I353 L354 E355 V359 H360 S361W147-R357 HydrophobicContact CZ2-CB 4.31Å; R252-R357 PolarHBondContact O-NH1 3.07Å; R252-R357 VanDerWaalsContact O-NH1 3.14Å; R252-R357 PolarHBondContact O-NH2 3.19Å; E257-R357 IonicContact OE1-CZ 3.73Å; E257-R357 IonicContact OE1-NE 3.86Å; E257-R357 PolarHBondContact OE1-NE 3.08Å; E257-R357 IonicContact OE1-NH2 3.72Å; E257-R357 PolarHBondContact OE1-NH2 3.14Å; E257-R357 IonicContact OE2-NH2 3.54Å; E257-R357 PolarHBondContact OE2-NH2 3.3Å; E257-R357 VanDerWaalsContact OE2-NH2 3.15Å; I353-R357 PolarHBondContact O-N 3.43Å; L354-R357 PolarHBondContact O-N 3.3Å; E355-R357 PolarHBondContact O-N 3.24Å; R357-V359 PolarHBondContact O-N 3.14Å; R357-H360 PolarHBondContact O-N 3.21Å; R357-S361 PolarHBondContact O-N 3.21Å; R357-S361 PolarHBondContact O-OG 3.27Å
358R61.6Low60.2Low145 Ų14586.1 Ų86.155%0.54744%0.443SS..Hα-helixtrans-55.8-41.9173.9-75.1-176.4-159167.55.1111.8E146 L354 E355 H360 S361 S362E146-R358 IonicContact OE2-CZ 3.15Å; E146-R358 IonicContact OE2-NE 2.98Å; E146-R358 IonicContact OE2-NH2 2.81Å; E146-R358 PolarHBondContact OE2-NH2 3.46Å; L354-R358 PolarHBondContact O-N 3.03Å; L354-R358 VanDerWaalsContact O-N 3.12Å; E355-R358 PolarHBondContact O-N 3.41Å; R358-H360 VanDerWaalsContact C-N 3.28Å; R358-H360 PolarHBondContact O-N 2.9Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.29Å; R358-S361 PolarHBondContact O-OG 3.29Å; R358-S362 PolarHBondContact O-N 2.83Å; R358-S362 VanDerWaalsContact O-N 3.14Å; R358-S362 PolarHBondContact O-OG 3.01Å
359V56.4Low60.4Low98 Ų9891.9 Ų91.959%0.59447%0.473SS*.Hα-helixtrans-66.5-27.5177.7177.40000112.7E355 R357 S362E355-V359 WeakPolarHBondContact O-CG2 3.44Å; E355-V359 PolarHBondContact O-N 3.01Å; E355-V359 VanDerWaalsContact O-N 3.14Å; R357-V359 PolarHBondContact O-N 3.14Å; V359-S362 PolarHBondContact O-OG 3.22Å
360H53.2Low60.1Low166 Ų16693.5 Ų93.577%0.76948%0.48SS*.Hα-helixtrans-86.6-19.6176.8-73.662.1000113.2K356 R357 R358K356-H360 PolarHBondContact O-N 3.32Å; K356-H360 PolarHBondContact O-ND1 2.89Å; R357-H360 PolarHBondContact O-N 3.21Å; R358-H360 VanDerWaalsContact C-N 3.28Å; R358-H360 PolarHBondContact O-N 2.9Å
361S53.8Low60.2Low103 Ų10399.2 Ų99.272%0.7251%0.507SS*.Hα-helixtrans-89.5-19.1176.157.40000114.3R357 R358R357-S361 PolarHBondContact O-N 3.21Å; R357-S361 PolarHBondContact O-OG 3.27Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.29Å; R358-S361 PolarHBondContact O-OG 3.29Å
362S49.2Very low59.9Low141 Ų14198.2 Ų98.299%0.98650%0.5SS*.  trans-86.20171.460.80000110.6R358 V359R358-S362 PolarHBondContact O-N 2.83Å; R358-S362 VanDerWaalsContact O-N 3.14Å; R358-S362 PolarHBondContact O-OG 3.01Å; V359-S362 PolarHBondContact O-OG 3.22Å

Retrieved 362 of 362 residues in 615.3 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).