A0A087X990_POEFO Loading...

aromatase

Catalyzes the formation of aromatic C18 estrogens from C19 androgens.

AlphaFold DB , UniProt , Accession A0A087X990, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.2Low64.2Low206 Ų206112.4 Ų112.4100%1.01560%0.598SS**  0-62.70-72.6-82.1-105.200112.2V3 L4 H5M1-V3 PolarHBondContact O-N 2.79Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-H5 PolarHBondContact O-N 2.98Å
2A65.3Low64.5Low82 Ų82115.8 Ų115.868%0.67861%0.605SS**Hα-helixtrans-64.3-39.3-174.900000115.7H5 K6A2-H5 PolarHBondContact O-N 2.76Å; A2-K6 WeakPolarHBondContact O-CB 3.48Å; A2-K6 PolarHBondContact O-N 2.93Å
3V67.9Low65.8Low112 Ų112109.8 Ų109.868%0.67958%0.578SS**Hα-helixtrans-66.9-41.7177.4177.10000111.4M1 H5 K6 L7M1-V3 PolarHBondContact O-N 2.79Å; V3-H5 VanDerWaalsContact C-N 3.34Å; V3-K6 PolarHBondContact O-N 3.12Å; V3-L7 HydrophobicContact CG1-CD1 3.96Å; V3-L7 WeakPolarHBondContact O-CB 3.47Å; V3-L7 PolarHBondContact O-N 2.85Å
4L65.6Low66.4Low114 Ų114118.1 Ų118.160%0.59760%0.599SS**Hα-helixtrans-64.1-41.1175.7-168.371.9000110.9M1 K6 L7 L8M1-L4 PolarHBondContact O-N 3.19Å; L4-K6 PolarHBondContact O-N 3.06Å; L4-L7 PolarHBondContact O-N 2.94Å; L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 3.18Å
5H68.5Low67.3Low138 Ų138115.9 Ų115.964%0.63960%0.598SS**Hα-helixtrans-67-36.3178.7-158.7-3.1000112.6M1 A2 V3 S9M1-H5 PolarHBondContact O-N 2.98Å; A2-H5 PolarHBondContact O-N 2.76Å; V3-H5 VanDerWaalsContact C-N 3.34Å; H5-S9 WeakPolarHBondContact O-CB 3.3Å; H5-S9 PolarHBondContact O-N 3.11Å; H5-S9 PolarHBondContact O-OG 2.89Å
6K69Low68.1Low147 Ų147109.6 Ų109.664%0.63957%0.571SS**Hα-helixtrans-73.5-36177.6-156.9175.9-174.2-178.60112.6A2 V3 L4 S9 Q10A2-K6 WeakPolarHBondContact O-CB 3.48Å; A2-K6 PolarHBondContact O-N 2.93Å; V3-K6 PolarHBondContact O-N 3.12Å; L4-K6 PolarHBondContact O-N 3.06Å; K6-S9 PolarHBondContact O-OG 3.32Å; K6-S9 VanDerWaalsContact O-OG 3.09Å; K6-Q10 WeakPolarHBondContact O-CB 3.46Å; K6-Q10 WeakPolarHBondContact O-CG 3.4Å; K6-Q10 PolarHBondContact O-N 3.02Å; K6-Q10 VanDerWaalsContact O-N 3.12Å
7L63.1Low69Low89 Ų89107.5 Ų107.547%0.46656%0.559SS.*Hα-helixtrans-65.7-45.5170.8-84.3158.7000111.2V3 L4 Q10 L11V3-L7 HydrophobicContact CG1-CD1 3.96Å; V3-L7 WeakPolarHBondContact O-CB 3.47Å; V3-L7 PolarHBondContact O-N 2.85Å; L4-L7 PolarHBondContact O-N 2.94Å; L7-Q10 PolarHBondContact O-N 3.13Å; L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.29Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.71Å
8L61.6Low69.9Low72 Ų72104.1 Ų104.138%0.37755%0.546SS..Hα-helixtrans-64.6-42176.9-71.1165.4000111.4L4 Q10 L11 F12L4-L8 HydrophobicContact CG-CD1 3.99Å; L4-L8 WeakPolarHBondContact O-CB 3.43Å; L4-L8 WeakPolarHBondContact O-CD1 3.46Å; L4-L8 WeakPolarHBondContact O-CG 3.38Å; L4-L8 PolarHBondContact O-N 3.18Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-Q10 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.29Å; L8-F12 HydrophobicContact CB-CD2 4.37Å; L8-F12 HydrophobicContact CD2-CE2 3.97Å; L8-F12 WeakPolarHBondContact O-CB 3.21Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 PolarHBondContact O-N 2.87Å
9S65.1Low70.8Confident68 Ų68105.4 Ų105.448%0.47655%0.547SS..Hα-helixtrans-67.1-32178.369.10000113.3H5 K6 S13H5-S9 WeakPolarHBondContact O-CB 3.3Å; H5-S9 PolarHBondContact O-N 3.11Å; H5-S9 PolarHBondContact O-OG 2.89Å; K6-S9 PolarHBondContact O-OG 3.32Å; K6-S9 VanDerWaalsContact O-OG 3.09Å; S9-S13 PolarHBondContact O-N 3.31Å
10Q61.7Low71.7Confident125 Ų125103.8 Ų103.858%0.58454%0.539SS*.Hα-helixtrans-72.8-38.7171.5-76.4-174.5-2900112.4K6 L7 L8 S13K6-Q10 WeakPolarHBondContact O-CB 3.46Å; K6-Q10 WeakPolarHBondContact O-CG 3.4Å; K6-Q10 PolarHBondContact O-N 3.02Å; K6-Q10 VanDerWaalsContact O-N 3.12Å; L7-Q10 PolarHBondContact O-N 3.13Å; L8-Q10 VanDerWaalsContact C-N 3.33Å; L8-Q10 PolarHBondContact O-N 3.49Å; Q10-S13 WeakPolarHBondContact O-CB 3.3Å; Q10-S13 PolarHBondContact O-N 2.84Å; Q10-S13 PolarHBondContact O-OG 3.31Å
11L60.3Low72.5Confident83 Ų83104.2 Ų104.244%0.43554%0.541SS..Hα-helixtrans-66.6-37.2175.9-76.6162.6000112.7L7 L8 S13 L20L7-L11 WeakPolarHBondContact O-CB 3.37Å; L7-L11 WeakPolarHBondContact O-CD1 3.29Å; L7-L11 VanDerWaalsContact O-CG 3.27Å; L7-L11 WeakPolarHBondContact O-CG 3.46Å; L7-L11 PolarHBondContact O-N 2.71Å; L8-L11 PolarHBondContact O-N 3.29Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-L20 HydrophobicContact CD2-CD1 4.19Å
12F68.1Low74.1Confident153 Ų153100.2 Ų100.267%0.67152%0.52SS*.THydrogen-bonded Turntrans-88.22.8176.9-71.6-68.8000114L8L8-F12 HydrophobicContact CB-CD2 4.37Å; L8-F12 HydrophobicContact CD2-CE2 3.97Å; L8-F12 WeakPolarHBondContact O-CB 3.21Å; L8-F12 WeakPolarHBondContact O-CD2 3.24Å; L8-F12 PolarHBondContact O-N 2.87Å
13S81.2Confident75.4Confident38 Ų38100.9 Ų100.927%0.26651%0.512SS..SBendtrans-69.9151.6169.773.20000110.5S9 Q10 L11 S15 G16 I17S9-S13 PolarHBondContact O-N 3.31Å; Q10-S13 WeakPolarHBondContact O-CB 3.3Å; Q10-S13 PolarHBondContact O-N 2.84Å; Q10-S13 PolarHBondContact O-OG 3.31Å; L11-S13 VanDerWaalsContact C-N 3.34Å; S13-S15 PolarHBondContact O-N 2.86Å; S13-S15 PolarHBondContact OG-OG 2.89Å; S13-S15 VanDerWaalsContact OG-OG 3.09Å; S13-G16 WeakPolarHBondContact O-CA 3.35Å; S13-G16 PolarHBondContact O-N 2.98Å; S13-G16 PolarHBondContact OG-N 2.91Å; S13-G16 VanDerWaalsContact OG-N 3.12Å; S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 2.82Å
14W74.1Confident76.5Confident227 Ų227101.9 Ų101.986%0.8651%0.511SS*.Hα-helixtrans-58.7-33.7-179-157.377.6000112.4S18W14-S18 VanDerWaalsContact O-CB 3.31Å; W14-S18 WeakPolarHBondContact O-CB 3.48Å; W14-S18 PolarHBondContact O-N 2.78Å
15S79.3Confident77.8Confident85 Ų8597.9 Ų97.959%0.59450%0.497SS*.Hα-helixtrans-70-40.1172.851.70000113S13 S18 F19S13-S15 PolarHBondContact O-N 2.86Å; S13-S15 PolarHBondContact OG-OG 2.89Å; S13-S15 VanDerWaalsContact OG-OG 3.09Å; S15-S18 PolarHBondContact O-N 3.04Å; S15-F19 WeakPolarHBondContact O-CB 3.5Å; S15-F19 PolarHBondContact O-N 2.82Å
16G80.1Confident79Confident15 Ų1595.3 Ų95.316%0.15549%0.491CS..Hα-helixtrans-62.3-44.8173.800000112.7S13 F19 L20S13-G16 WeakPolarHBondContact O-CA 3.35Å; S13-G16 PolarHBondContact O-N 2.98Å; S13-G16 PolarHBondContact OG-N 2.91Å; S13-G16 VanDerWaalsContact OG-N 3.12Å; G16-F19 PolarHBondContact O-N 2.92Å; G16-L20 WeakPolarHBondContact O-CG 3.49Å; G16-L20 PolarHBondContact O-N 2.73Å
17I83.5Confident80.2Confident73 Ų7390.8 Ų90.837%0.37448%0.481SS..Hα-helixtrans-64.6-44.6175.9-63.8169.9000110.8S13 F19 L20 L21S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 2.82Å; I17-F19 PolarHBondContact O-N 2.79Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-L21 HydrophobicContact CG2-CD1 4.01Å; I17-L21 HydrophobicContact CG2-CG 4.39Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.16Å
18S85.4Confident81.7Confident46 Ų4692 Ų9232%0.32249%0.487SS..Hα-helixtrans-60.9-42.3176.7-176.90000112.3W14 S15 L21 Q22W14-S18 VanDerWaalsContact O-CB 3.31Å; W14-S18 WeakPolarHBondContact O-CB 3.48Å; W14-S18 PolarHBondContact O-N 2.78Å; S15-S18 PolarHBondContact O-N 3.04Å; S18-L21 PolarHBondContact O-N 3.42Å; S18-Q22 WeakPolarHBondContact O-CB 3.32Å; S18-Q22 VanDerWaalsContact O-CG 3.32Å; S18-Q22 WeakPolarHBondContact O-CG 3.41Å; S18-Q22 PolarHBondContact O-N 2.9Å
19F87.6Confident83.2Confident130 Ų13094.5 Ų94.557%0.5750%0.501SS*.Hα-helixtrans-64.6-43176.9179.8-99.6000111.8S15 G16 I17 Q22 L23S15-F19 WeakPolarHBondContact O-CB 3.5Å; S15-F19 PolarHBondContact O-N 2.82Å; G16-F19 PolarHBondContact O-N 2.92Å; I17-F19 PolarHBondContact O-N 2.79Å; F19-Q22 PolarHBondContact O-N 3.2Å; F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 PolarHBondContact O-N 3.42Å
20L87.5Confident84.6Confident73 Ų7394 Ų9438%0.38250%0.501SS..Hα-helixtrans-62.7-43.6175.4-73.7171000112L11 G16 I17 Q22 L23 M24L11-L20 HydrophobicContact CD2-CD1 4.19Å; G16-L20 WeakPolarHBondContact O-CG 3.49Å; G16-L20 PolarHBondContact O-N 2.73Å; I17-L20 PolarHBondContact O-N 3.46Å; L20-Q22 PolarHBondContact O-N 3.47Å; L20-L23 PolarHBondContact O-N 3.11Å; L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.37Å; L20-M24 PolarHBondContact O-N 3.14Å
21L90.2Very high86.2Confident112 Ų11292.7 Ų92.759%0.58650%0.501SS*.Hα-helixtrans-63.6-40.1176.5-73.3172.8000112.1I17 S18 G25I17-L21 HydrophobicContact CG2-CD1 4.01Å; I17-L21 HydrophobicContact CG2-CG 4.39Å; I17-L21 WeakPolarHBondContact O-CB 3.41Å; I17-L21 WeakPolarHBondContact O-CG 3.35Å; I17-L21 PolarHBondContact O-N 3.16Å; S18-L21 PolarHBondContact O-N 3.42Å; L21-G25 PolarHBondContact O-N 3.17Å
22Q90.9Very high87.8Confident123 Ų12392.3 Ų92.358%0.57550%0.502SS*.Hα-helixtrans-64.2-45.4174.1-75.9175.2-7.600111.5S18 F19 L20 G25 T26S18-Q22 WeakPolarHBondContact O-CB 3.32Å; S18-Q22 VanDerWaalsContact O-CG 3.32Å; S18-Q22 WeakPolarHBondContact O-CG 3.41Å; S18-Q22 PolarHBondContact O-N 2.9Å; F19-Q22 PolarHBondContact O-N 3.2Å; L20-Q22 PolarHBondContact O-N 3.47Å; Q22-G25 PolarHBondContact O-N 2.87Å; Q22-T26 WeakPolarHBondContact O-CG2 3.45Å; Q22-T26 PolarHBondContact O-N 3.39Å; Q22-T26 PolarHBondContact O-OG1 3.07Å
23L92.3Very high89.1Confident96 Ų9687 Ų8750%0.50349%0.49SS..Hα-helixtrans-63.1-42.6177.5-173.668.7000111.8F19 L20 G25 T26 A27F19-L23 WeakPolarHBondContact O-CB 3.48Å; F19-L23 PolarHBondContact O-N 3.42Å; L20-L23 PolarHBondContact O-N 3.11Å; L23-G25 VanDerWaalsContact C-N 3.35Å; L23-T26 PolarHBondContact O-OG1 3.43Å; L23-T26 VanDerWaalsContact O-OG1 3.04Å; L23-A27 VanDerWaalsContact O-CB 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.43Å; L23-A27 PolarHBondContact O-N 2.81Å
24M92.1Very high89.8Confident133 Ų13388.7 Ų88.766%0.65550%0.499SS*.Hα-helixtrans-64.3-40.7174.3-72.8-178.566.300111.5L20 L28L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 VanDerWaalsContact O-CG 3.27Å; L20-M24 WeakPolarHBondContact O-CG 3.37Å; L20-M24 PolarHBondContact O-N 3.14Å; M24-L28 VanDerWaalsContact O-CB 3.27Å; M24-L28 WeakPolarHBondContact O-CB 3.44Å; M24-L28 PolarHBondContact O-N 3.01Å
25G93.1Very high90.7Very high30 Ų3084.2 Ų84.231%0.30948%0.481SS..Hα-helixtrans-64.1-46.3176.800000112.7L21 Q22 L23 L28 L29L21-G25 PolarHBondContact O-N 3.17Å; Q22-G25 PolarHBondContact O-N 2.87Å; L23-G25 VanDerWaalsContact C-N 3.35Å; G25-L28 PolarHBondContact O-N 3.36Å; G25-L29 WeakPolarHBondContact O-CB 3.29Å; G25-L29 WeakPolarHBondContact O-CG 3.5Å; G25-L29 PolarHBondContact O-N 3.01Å
26T93.4Very high91.3Very high84 Ų8483.1 Ų83.152%0.51547%0.472SS..Hα-helixtrans-67.2-40.7176.956.20000111.9Q22 L23 L28 L29 A30Q22-T26 WeakPolarHBondContact O-CG2 3.45Å; Q22-T26 PolarHBondContact O-N 3.39Å; Q22-T26 PolarHBondContact O-OG1 3.07Å; L23-T26 PolarHBondContact O-OG1 3.43Å; L23-T26 VanDerWaalsContact O-OG1 3.04Å; T26-L28 PolarHBondContact O-N 3.37Å; T26-L29 PolarHBondContact O-N 2.99Å; T26-A30 WeakPolarHBondContact O-CB 3.49Å; T26-A30 PolarHBondContact O-N 3.09Å
27A93.6Very high92Very high52 Ų5287.8 Ų87.843%0.4349%0.492SS..Hα-helixtrans-60.8-44.2173.700000111.6L23 A30 V31L23-A27 VanDerWaalsContact O-CB 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.43Å; L23-A27 PolarHBondContact O-N 2.81Å; A27-A30 PolarHBondContact O-N 2.87Å; A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.28Å; A27-V31 PolarHBondContact O-N 3.33Å
28L94.1Very high92.5Very high113 Ų11392.9 Ų92.959%0.59251%0.507SS*.Hα-helixtrans-61.9-45.4176.1-177.964.6000111.5M24 G25 T26 A30 V31 V32M24-L28 VanDerWaalsContact O-CB 3.27Å; M24-L28 WeakPolarHBondContact O-CB 3.44Å; M24-L28 PolarHBondContact O-N 3.01Å; G25-L28 PolarHBondContact O-N 3.36Å; T26-L28 PolarHBondContact O-N 3.37Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.44Å; L28-V31 PolarHBondContact O-N 3.23Å; L28-V32 VanDerWaalsContact O-CG2 3.31Å; L28-V32 WeakPolarHBondContact O-CG2 3.42Å; L28-V32 PolarHBondContact O-N 3.09Å
29L94.6Very high92.8Very high126 Ų12691.6 Ų91.666%0.6650%0.496SS*.Hα-helixtrans-62.3-40.2176.4-73.7172.5000112.1G25 T26 V32 G33G25-L29 WeakPolarHBondContact O-CB 3.29Å; G25-L29 WeakPolarHBondContact O-CG 3.5Å; G25-L29 PolarHBondContact O-N 3.01Å; T26-L29 PolarHBondContact O-N 2.99Å; L29-V32 PolarHBondContact O-N 3.19Å; L29-G33 PolarHBondContact O-N 3.15Å
30A94.4Very high93Very high58 Ų5888.7 Ų88.748%0.47949%0.486SS..Hα-helixtrans-63.7-43.8175.400000111.4T26 A27 L28 G33 V34T26-A30 WeakPolarHBondContact O-CB 3.49Å; T26-A30 PolarHBondContact O-N 3.09Å; A27-A30 PolarHBondContact O-N 2.87Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 3.44Å; A30-G33 PolarHBondContact O-N 2.85Å; A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 3.24Å
31V94.6Very high93.4Very high97 Ų9789.5 Ų89.559%0.58849%0.494SS*.Hα-helixtrans-61.3-46.5175.7169.80000111A27 L28 V34 W35A27-V31 VanDerWaalsContact O-CG2 3.3Å; A27-V31 WeakPolarHBondContact O-CG2 3.28Å; A27-V31 PolarHBondContact O-N 3.33Å; L28-V31 PolarHBondContact O-N 3.23Å; V31-V34 PolarHBondContact O-N 3.07Å; V31-W35 VanDerWaalsContact O-CB 3.31Å; V31-W35 WeakPolarHBondContact O-CB 3.48Å; V31-W35 PolarHBondContact O-N 3.34Å
32V94.1Very high93.5Very high75 Ų7589.6 Ų89.646%0.45549%0.486SS..Hα-helixtrans-60.8-46.3176171.50000110.5L28 L29 V34 W35 T36L28-V32 VanDerWaalsContact O-CG2 3.31Å; L28-V32 WeakPolarHBondContact O-CG2 3.42Å; L28-V32 PolarHBondContact O-N 3.09Å; L29-V32 PolarHBondContact O-N 3.19Å; V32-V34 PolarHBondContact O-N 3.26Å; V32-W35 PolarHBondContact O-N 2.84Å; V32-T36 WeakPolarHBondContact O-CB 3.4Å; V32-T36 PolarHBondContact O-N 3.29Å; V32-T36 PolarHBondContact O-OG1 3.1Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å
33G95.4Very high93.6Very high40 Ų4085 Ų8541%0.41247%0.465SS..Hα-helixtrans-59.5-46.9178.400000113.1L29 A30 W35 T36 L37L29-G33 PolarHBondContact O-N 3.15Å; A30-G33 PolarHBondContact O-N 2.85Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.48Å; G33-T36 PolarHBondContact O-N 3.3Å; G33-L37 WeakPolarHBondContact O-CB 3.35Å; G33-L37 PolarHBondContact O-N 2.91Å
34V95.4Very high93.7Very high75 Ų7583.2 Ų83.246%0.45546%0.464SS..Hα-helixtrans-62.8-42.1175.7171.10000111.1A30 V31 V32 L37 R38A30-V34 WeakPolarHBondContact O-CG2 3.34Å; A30-V34 PolarHBondContact O-N 3.24Å; V31-V34 PolarHBondContact O-N 3.07Å; V32-V34 PolarHBondContact O-N 3.26Å; V34-L37 PolarHBondContact O-N 2.59Å; V34-R38 WeakPolarHBondContact O-CB 3.45Å; V34-R38 VanDerWaalsContact O-CG 3.3Å; V34-R38 WeakPolarHBondContact O-CG 3.29Å; V34-R38 PolarHBondContact O-N 2.92Å
35W93.7Very high93.8Very high132 Ų13282.9 Ų82.950%0.546%0.456SS..Hα-helixtrans-66.2-43.5179.1-166.777.3000112V31 V32 G33 R38 L39 F97V31-W35 VanDerWaalsContact O-CB 3.31Å; V31-W35 WeakPolarHBondContact O-CB 3.48Å; V31-W35 PolarHBondContact O-N 3.34Å; V32-W35 PolarHBondContact O-N 2.84Å; G33-W35 VanDerWaalsContact C-N 3.35Å; G33-W35 PolarHBondContact O-N 3.48Å; W35-R38 PolarHBondContact O-N 2.89Å; W35-L39 HydrophobicContact CD2-CD1 3.89Å; W35-L39 HydrophobicContact CD2-CG 4.41Å; W35-L39 HydrophobicContact CE3-CD1 3.51Å; W35-L39 HydrophobicContact CE3-CG 4.46Å; W35-L39 HydrophobicContact CH2-CD1 3.58Å; W35-L39 HydrophobicContact CZ2-CD1 3.91Å; W35-L39 HydrophobicContact CZ3-CD1 3.36Å; W35-L39 WeakPolarHBondContact O-CG 3.33Å; W35-L39 PolarHBondContact O-N 3.17Å; W35-F97 AromaticContact CH2-CE1 3.87Å; W35-F97 HydrophobicContact CH2-CE1 3.87Å; W35-F97 HydrophobicContact CZ3-CE1 4.35Å
36T92.1Very high93.9Very high63 Ų6382.8 Ų82.839%0.38745%0.446SS..Hα-helixtrans-61.9-45.3174.5-63.40000111.5V32 G33 R38 L39 L40V32-T36 WeakPolarHBondContact O-CB 3.4Å; V32-T36 PolarHBondContact O-N 3.29Å; V32-T36 PolarHBondContact O-OG1 3.1Å; V32-T36 VanDerWaalsContact O-OG1 3.05Å; G33-T36 PolarHBondContact O-N 3.3Å; T36-R38 PolarHBondContact O-N 2.81Å; T36-L39 PolarHBondContact O-N 3.11Å; T36-L40 HydrophobicContact CG2-CD1 4.13Å; T36-L40 HydrophobicContact CG2-CG 4.44Å; T36-L40 WeakPolarHBondContact O-CG 3.29Å; T36-L40 PolarHBondContact O-N 3.28Å
37L94.3Very high93.9Very high112 Ų11281.1 Ų81.159%0.58644%0.436SS*.Hα-helixtrans-59.8-45.9175.9179.662000111.3G33 V34 L39 L40 V41G33-L37 WeakPolarHBondContact O-CB 3.35Å; G33-L37 PolarHBondContact O-N 2.91Å; V34-L37 PolarHBondContact O-N 2.59Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.13Å; L37-L40 PolarHBondContact O-N 3.41Å; L37-V41 HydrophobicContact CD1-CG2 4.16Å; L37-V41 HydrophobicContact CG-CG2 4.42Å; L37-V41 WeakPolarHBondContact O-CB 3.22Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 2.91Å
38R94.3Very high94Very high181 Ų18185.3 Ų85.368%0.68345%0.447SS*.Hα-helixtrans-57.9-41.9175.7-76.7176.4178.2-176.40.9112.1V34 W35 T36 R42V34-R38 WeakPolarHBondContact O-CB 3.45Å; V34-R38 VanDerWaalsContact O-CG 3.3Å; V34-R38 WeakPolarHBondContact O-CG 3.29Å; V34-R38 PolarHBondContact O-N 2.92Å; W35-R38 PolarHBondContact O-N 2.89Å; T36-R38 PolarHBondContact O-N 2.81Å; R38-R42 VanDerWaalsContact O-CB 3.25Å; R38-R42 WeakPolarHBondContact O-CB 3.47Å; R38-R42 PolarHBondContact O-N 3.35Å
39L92Very high94.1Very high19 Ų1984 Ų8410%0.09943%0.434CS..Hα-helixtrans-66.5-42.1177-76.3176.6000112.6W35 T36 L37 R42 H43 P96 F97W35-L39 HydrophobicContact CD2-CD1 3.89Å; W35-L39 HydrophobicContact CD2-CG 4.41Å; W35-L39 HydrophobicContact CE3-CD1 3.51Å; W35-L39 HydrophobicContact CE3-CG 4.46Å; W35-L39 HydrophobicContact CH2-CD1 3.58Å; W35-L39 HydrophobicContact CZ2-CD1 3.91Å; W35-L39 HydrophobicContact CZ3-CD1 3.36Å; W35-L39 WeakPolarHBondContact O-CG 3.33Å; W35-L39 PolarHBondContact O-N 3.17Å; T36-L39 PolarHBondContact O-N 3.11Å; L37-L39 VanDerWaalsContact C-N 3.3Å; L37-L39 PolarHBondContact O-N 3.13Å; L39-R42 PolarHBondContact O-N 3.14Å; L39-H43 VanDerWaalsContact O-CB 3.28Å; L39-H43 WeakPolarHBondContact O-CB 3.18Å; L39-H43 PolarHBondContact O-N 3.32Å; L39-P96 HydrophobicContact CB-CB 4.15Å; L39-P96 HydrophobicContact CB-CG 4.36Å; L39-P96 HydrophobicContact CD1-CG 4.5Å; L39-F97 HydrophobicContact CD1-CD1 4.17Å; L39-F97 HydrophobicContact CD1-CE1 3.58Å; L39-F97 HydrophobicContact CD1-CZ 4.45Å; L39-F97 HydrophobicContact CD2-CD1 4.11Å; L39-F97 HydrophobicContact CD2-CE1 4.36Å
40L92.1Very high94.1Very high69 Ų6978.3 Ų78.336%0.36140%0.404SS..Hα-helixtrans-66.3-42.5177.3-69.5175000111.7T36 L37 H43 A44 W61T36-L40 HydrophobicContact CG2-CD1 4.13Å; T36-L40 HydrophobicContact CG2-CG 4.44Å; T36-L40 WeakPolarHBondContact O-CG 3.29Å; T36-L40 PolarHBondContact O-N 3.28Å; L37-L40 PolarHBondContact O-N 3.41Å; L40-H43 PolarHBondContact O-N 3.19Å; L40-A44 WeakPolarHBondContact O-CB 3.4Å; L40-A44 PolarHBondContact O-N 2.91Å; L40-W61 HydrophobicContact CD2-CH2 4.42Å; L40-W61 HydrophobicContact CD2-CZ3 4.01Å
41V94.1Very high94.2Very high89 Ų8979.7 Ų79.754%0.53941%0.41SS..Hα-helixtrans-62-46.4174.3171.10000110.5L37 H43 A44 W45L37-V41 HydrophobicContact CD1-CG2 4.16Å; L37-V41 HydrophobicContact CG-CG2 4.42Å; L37-V41 WeakPolarHBondContact O-CB 3.22Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.48Å; L37-V41 PolarHBondContact O-N 2.91Å; V41-H43 VanDerWaalsContact C-N 3.31Å; V41-H43 PolarHBondContact O-N 3.12Å; V41-A44 PolarHBondContact O-N 2.74Å; V41-W45 WeakPolarHBondContact O-CB 3.48Å; V41-W45 PolarHBondContact O-N 3.09Å
42R92.7Very high94.2Very high114 Ų11477.6 Ų77.643%0.4340%0.399SS..Hα-helixtrans-59-44.1174.7176.5177.2169.9-178.7-5.7111.4R38 L39 W45 Y46 F97R38-R42 VanDerWaalsContact O-CB 3.25Å; R38-R42 WeakPolarHBondContact O-CB 3.47Å; R38-R42 PolarHBondContact O-N 3.35Å; L39-R42 PolarHBondContact O-N 3.14Å; R42-W45 PolarHBondContact O-N 2.87Å; R42-Y46 HydrophobicContact CG-CD2 3.7Å; R42-Y46 HydrophobicContact CG-CE2 3.75Å; R42-Y46 WeakPolarHBondContact O-CD2 3.33Å; R42-Y46 PolarHBondContact O-N 2.92Å; R42-F97 PolarHBondContact NH2-O 3.21Å
43H93.7Very high94.3Very high26 Ų2674.4 Ų74.412%0.1238%0.379CS..Hα-helixtrans-63.3-46.9178.9177.378.6000111.4L39 L40 V41 W45 Y46 T47 F93 P96 H99L39-H43 VanDerWaalsContact O-CB 3.28Å; L39-H43 WeakPolarHBondContact O-CB 3.18Å; L39-H43 PolarHBondContact O-N 3.32Å; L40-H43 PolarHBondContact O-N 3.19Å; V41-H43 VanDerWaalsContact C-N 3.31Å; V41-H43 PolarHBondContact O-N 3.12Å; H43-W45 VanDerWaalsContact C-N 3.32Å; H43-W45 PolarHBondContact O-N 2.93Å; H43-Y46 PolarHBondContact O-N 3.23Å; H43-T47 PolarHBondContact NE2-OG1 2.95Å; H43-T47 VanDerWaalsContact O-CB 3.26Å; H43-T47 WeakPolarHBondContact O-CB 3.48Å; H43-T47 PolarHBondContact O-N 3.32Å; H43-T47 PolarHBondContact O-OG1 2.99Å; H43-F93 AromaticContact CE1-CD2 3.53Å; H43-F93 AromaticContact CE1-CE2 3.66Å; H43-F93 AromaticContact CE1-CG 3.9Å; H43-P96 HydrophobicContact CB-CB 3.91Å; H43-H99 AromaticContact CE1-NE2 3.79Å; H43-H99 AromaticContact CG-NE2 3.81Å; H43-H99 AromaticContact ND1-CE1 3.59Å; H43-H99 AromaticContact ND1-NE2 3.09Å; H43-H99 PolarHBondContact ND1-NE2 3.46Å; H43-H99 PolarHBondContact O-NE2 3.45Å
44A93.7Very high94.3Very high60 Ų6077.7 Ų77.750%0.49639%0.387SS..Hα-helixtrans-59.7-43175.300000111.8L40 V41 T47 H48L40-A44 WeakPolarHBondContact O-CB 3.4Å; L40-A44 PolarHBondContact O-N 2.91Å; V41-A44 PolarHBondContact O-N 2.74Å; A44-T47 PolarHBondContact O-N 3.21Å; A44-H48 WeakPolarHBondContact O-CB 3.36Å; A44-H48 PolarHBondContact O-N 3.49Å
45W94.8Very high94.2Very high125 Ų12579 Ų7947%0.47339%0.387SS..Hα-helixtrans-61.5-50.7178.6-176.280.1000112.7V41 R42 H43 H48 R49V41-W45 WeakPolarHBondContact O-CB 3.48Å; V41-W45 PolarHBondContact O-N 3.09Å; R42-W45 PolarHBondContact O-N 2.87Å; H43-W45 VanDerWaalsContact C-N 3.32Å; H43-W45 PolarHBondContact O-N 2.93Å; W45-H48 PolarHBondContact O-N 3.44Å; W45-R49 HydrophobicContact CD2-CG 4.14Å; W45-R49 HydrophobicContact CE3-CG 4.47Å; W45-R49 HydrophobicContact CH2-CG 4.41Å; W45-R49 HydrophobicContact CZ2-CG 4.06Å; W45-R49 WeakPolarHBondContact O-CB 3.49Å; W45-R49 VanDerWaalsContact O-CG 3.23Å; W45-R49 WeakPolarHBondContact O-CG 3.46Å; W45-R49 PolarHBondContact O-N 2.87Å
46Y94.8Very high94.3Very high29 Ų2973 Ų7311%0.11437%0.365CS..Hα-helixtrans-67.9-37.4178-83.1-70.6000112.3R42 H43 H48 R49 L50 H99 V422R42-Y46 HydrophobicContact CG-CD2 3.7Å; R42-Y46 HydrophobicContact CG-CE2 3.75Å; R42-Y46 WeakPolarHBondContact O-CD2 3.33Å; R42-Y46 PolarHBondContact O-N 2.92Å; H43-Y46 PolarHBondContact O-N 3.23Å; Y46-H48 VanDerWaalsContact C-N 3.3Å; Y46-H48 PolarHBondContact O-N 2.83Å; Y46-R49 PolarHBondContact O-N 3.32Å; Y46-L50 VanDerWaalsContact O-CB 3.32Å; Y46-L50 WeakPolarHBondContact O-CB 3.37Å; Y46-L50 VanDerWaalsContact O-CG 3.3Å; Y46-L50 WeakPolarHBondContact O-CG 3.19Å; Y46-L50 PolarHBondContact O-N 3.46Å; Y46-H99 WeakPolarHBondContact CB-CD2 3.37Å; Y46-H99 VanDerWaalsContact CB-CG 3.44Å; Y46-H99 HydrophobicContact CD1-CB 4.49Å; Y46-H99 AromaticContact CD2-ND1 3.86Å; Y46-H99 HydrophobicContact CG-CB 4.26Å; Y46-H99 AromaticContact CG-CG 3.93Å; Y46-H99 AromaticContact CG-ND1 3.94Å; Y46-V422 HydrophobicContact CD1-CG2 3.47Å; Y46-V422 VanDerWaalsContact CD1-CG2 3.47Å; Y46-V422 HydrophobicContact CE1-CG2 3.55Å
47T93.8Very high94.3Very high49 Ų4974.9 Ų74.930%0.30138%0.378SS..Hα-helixtrans-61.2-40.9175.2-62.70000111H43 A44 L50 S51H43-T47 PolarHBondContact NE2-OG1 2.95Å; H43-T47 VanDerWaalsContact O-CB 3.26Å; H43-T47 WeakPolarHBondContact O-CB 3.48Å; H43-T47 PolarHBondContact O-N 3.32Å; H43-T47 PolarHBondContact O-OG1 2.99Å; A44-T47 PolarHBondContact O-N 3.21Å; T47-L50 PolarHBondContact O-N 3.01Å; T47-S51 PolarHBondContact O-N 2.99Å
48H94.9Very high94.2Very high140 Ų14071.8 Ų71.865%0.64836%0.364SS*.Hα-helixtrans-65.8-45.7173.8179.568.6000112.1A44 W45 Y46 L50 S51A44-H48 WeakPolarHBondContact O-CB 3.36Å; A44-H48 PolarHBondContact O-N 3.49Å; W45-H48 PolarHBondContact O-N 3.44Å; Y46-H48 VanDerWaalsContact C-N 3.3Å; Y46-H48 PolarHBondContact O-N 2.83Å; H48-L50 PolarHBondContact O-N 3.31Å; H48-S51 WeakPolarHBondContact O-CB 3.35Å; H48-S51 PolarHBondContact O-N 3.19Å; H48-S51 VanDerWaalsContact O-N 3.07Å; H48-S51 PolarHBondContact O-OG 3.24Å
49R95.9Very high93.9Very high86 Ų8669.1 Ų69.133%0.32536%0.359SS..Hα-helixtrans-63.7-25.6178-69.9-86.3-73.3167.91.6113.4W45 Y46 D409 P419W45-R49 HydrophobicContact CD2-CG 4.14Å; W45-R49 HydrophobicContact CE3-CG 4.47Å; W45-R49 HydrophobicContact CH2-CG 4.41Å; W45-R49 HydrophobicContact CZ2-CG 4.06Å; W45-R49 WeakPolarHBondContact O-CB 3.49Å; W45-R49 VanDerWaalsContact O-CG 3.23Å; W45-R49 WeakPolarHBondContact O-CG 3.46Å; W45-R49 PolarHBondContact O-N 2.87Å; Y46-R49 PolarHBondContact O-N 3.32Å; R49-D409 IonicContact CZ-OD2 3.74Å; R49-D409 IonicContact NH1-OD2 2.87Å; R49-D409 PolarHBondContact NH1-OD2 3.16Å; R49-D409 IonicContact NH2-OD1 2.86Å; R49-D409 PolarHBondContact NH2-OD1 3.13Å; R49-D409 IonicContact NH2-OD2 3.9Å; R49-D409 PolarHBondContact NH2-OD2 3.01Å; R49-P419 HydrophobicContact CB-CB 4.41Å; R49-P419 HydrophobicContact CB-CG 3.88Å
50L96.4Very high93.7Very high6 Ų670.1 Ų70.13%0.03137%0.368CS..THydrogen-bonded Turntrans-95.16.1176.8-68.7175.7000113.5Y46 T47 H48 C52 F53 H99 V101 P419 V422Y46-L50 VanDerWaalsContact O-CB 3.32Å; Y46-L50 WeakPolarHBondContact O-CB 3.37Å; Y46-L50 VanDerWaalsContact O-CG 3.3Å; Y46-L50 WeakPolarHBondContact O-CG 3.19Å; Y46-L50 PolarHBondContact O-N 3.46Å; T47-L50 PolarHBondContact O-N 3.01Å; H48-L50 PolarHBondContact O-N 3.31Å; L50-C52 PolarHBondContact O-N 2.84Å; L50-F53 HydrophobicContact CD2-CD2 3.84Å; L50-F53 HydrophobicContact CD2-CE2 3.95Å; L50-F53 PolarHBondContact O-N 2.73Å; L50-H99 HydrophobicContact CD1-CB 3.96Å; L50-V101 HydrophobicContact CD2-CG2 3.41Å; L50-V101 VanDerWaalsContact CD2-CG2 3.41Å; L50-P419 HydrophobicContact CD2-CG 3.9Å; L50-P419 HydrophobicContact CG-CG 4.44Å; L50-V422 HydrophobicContact CD1-CG1 4.32Å; L50-V422 HydrophobicContact CD1-CG2 4.25Å; L50-V422 HydrophobicContact CD2-CG1 4.29Å; L50-V422 HydrophobicContact CD2-CG2 4.28Å; L50-V422 HydrophobicContact CG-CG2 4.45Å
51S94.8Very high93.4Very high86 Ų8675.3 Ų75.360%0.60138%0.382SS*.THydrogen-bonded Turntrans-63.9-19.3-178.860.90000114.1T47 H48 F53T47-S51 PolarHBondContact O-N 2.99Å; H48-S51 WeakPolarHBondContact O-CB 3.35Å; H48-S51 PolarHBondContact O-N 3.19Å; H48-S51 VanDerWaalsContact O-N 3.07Å; H48-S51 PolarHBondContact O-OG 3.24Å; S51-F53 PolarHBondContact O-N 3.1Å
52C94.6Very high92.9Very high54 Ų5474.9 Ų74.937%0.36538%0.377SS..THydrogen-bonded Turntrans-69.8-18.6172.9600000113.2L50 L416L50-C52 PolarHBondContact O-N 2.84Å; C52-L416 HydrophobicContact CB-CD2 3.82Å; C52-L416 WeakPolarHBondContact O-CD2 3.24Å
53F96.3Very high92.6Very high7 Ų773.4 Ų73.43%0.03138%0.377CS..SBendtrans-96.9135.1175-62.2-82.7000110.9L50 S51 K55 S89 S91 V101 L412 L416 T417 V418L50-F53 HydrophobicContact CD2-CD2 3.84Å; L50-F53 HydrophobicContact CD2-CE2 3.95Å; L50-F53 PolarHBondContact O-N 2.73Å; S51-F53 PolarHBondContact O-N 3.1Å; F53-K55 PolarHBondContact O-N 3.36Å; F53-S89 WeakPolarHBondContact CD1-OG 3.32Å; F53-S91 PolarHBondContact O-OG 3.47Å; F53-V101 HydrophobicContact CD1-CG1 4.07Å; F53-V101 HydrophobicContact CD2-CG2 3.92Å; F53-V101 HydrophobicContact CE1-CG1 3.74Å; F53-V101 HydrophobicContact CE2-CG1 4.39Å; F53-V101 HydrophobicContact CE2-CG2 3.7Å; F53-V101 HydrophobicContact CG-CG2 4.41Å; F53-V101 HydrophobicContact CZ-CG1 3.92Å; F53-V101 HydrophobicContact CZ-CG2 4.02Å; F53-L412 HydrophobicContact CE1-CD1 4.04Å; F53-L412 HydrophobicContact CZ-CD1 4.06Å; F53-L416 HydrophobicContact CD1-CD1 3.85Å; F53-L416 HydrophobicContact CE1-CB 3.99Å; F53-L416 HydrophobicContact CE1-CD1 3.65Å; F53-L416 HydrophobicContact CE1-CG 4.32Å; F53-L416 HydrophobicContact CZ-CB 4.08Å; F53-T417 VanDerWaalsContact CE2-O 3.26Å; F53-T417 WeakPolarHBondContact CE2-O 3.31Å; F53-V418 HydrophobicContact CZ-CG2 4.19Å
54N95.2Very high92.6Very high110 Ų11072.2 Ų72.259%0.58837%0.371SS*.  trans-55.4140.5167.2-70.1-37.9000110.8Y86 C90 S91N54-Y86 HydrophobicContact CB-CD1 3.55Å; N54-Y86 HydrophobicContact CB-CE1 3.67Å; N54-C90 CarbonylContact O-C 3.56Å; N54-C90 WeakPolarHBondContact O-CA 3.25Å; N54-C90 VanDerWaalsContact O-CB 3.26Å; N54-C90 WeakPolarHBondContact O-CB 3.41Å; N54-S91 PolarHBondContact O-N 2.93Å
55K95.3Very high92.6Very high103 Ų10369.3 Ų69.345%0.44835%0.347SS..  trans-116.2125.1-177.3-169.918067.6179.30110.1F53 T58 F93F53-K55 PolarHBondContact O-N 3.36Å; K55-T58 HydrophobicContact CD-CG2 4.47Å; K55-F93 HydrophobicContact CD-CE1 4.29Å
56P94.6Very high92.3Very high6 Ų665 Ų654%0.03933%0.333CS..PPolyproline II helixtrans-64.6163.5174.2-22.236.1000113.6T58 H65 L82 Y86 C90 S91P56-T58 PolarHBondContact O-N 3.14Å; P56-H65 PolarHBondContact O-NE2 3.43Å; P56-L82 HydrophobicContact CB-CD1 4.17Å; P56-L82 HydrophobicContact CG-CD1 3.52Å; P56-Y86 VanDerWaalsContact CA-OH 3.31Å; P56-Y86 WeakPolarHBondContact CA-OH 3.49Å; P56-Y86 HydrophobicContact CB-CE2 4.04Å; P56-Y86 HydrophobicContact CG-CD2 4.34Å; P56-Y86 HydrophobicContact CG-CE2 3.73Å; P56-C90 HydrophobicContact CG-CB 4.07Å; P56-S91 VanDerWaalsContact CD-O 3.31Å; P56-S91 WeakPolarHBondContact CD-O 3.49Å
57P92.8Very high91.9Very high102 Ų10264.7 Ų64.766%0.66234%0.339SS*.PPolyproline II helixtrans-57.5128.2172.7-2434.7000111.6Q68P57-Q68 PolarHBondContact O-NE2 3.07Å
58T92.7Very high91.7Very high47 Ų4764 Ų6429%0.28833%0.333SS..PPolyproline II helixtrans-99.5149.418056.10000110.8K55 P56 S60 H65 F93K55-T58 HydrophobicContact CD-CG2 4.47Å; P56-T58 PolarHBondContact O-N 3.14Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 3.3Å; T58-H65 WeakPolarHBondContact CG2-CE1 3.49Å; T58-F93 HydrophobicContact CG2-CE1 3.59Å; T58-F93 HydrophobicContact CG2-CZ 4.01Å
59H86.8Confident91.5Very high125 Ų12558.4 Ų58.458%0.57931%0.307SS*.SBendtrans-63.7-39.5173.3-71.9-68.2000112.5G64 Q68H59-G64 PolarHBondContact N-O 3.46Å; H59-Q68 VanDerWaalsContact NE2-CG 3.32Å; H59-Q68 WeakPolarHBondContact NE2-CG 3.36Å
60S88.8Confident91.2Very high40 Ų4059.2 Ų59.228%0.2832%0.315SS..BIsolated β-bridgetrans-158.8166.5173.270.90000110.4T58 L62 I63 G64T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 3.3Å; S60-L62 PolarHBondContact O-N 3.23Å; S60-L62 PolarHBondContact OG-N 2.9Å; S60-I63 WeakPolarHBondContact OG-CB 3.37Å; S60-I63 PolarHBondContact OG-N 3.32Å; S60-G64 WeakPolarHBondContact O-CA 3.42Å; S60-G64 PolarHBondContact O-N 3.39Å
61W84.1Confident91Very high177 Ų17760 Ų6067%0.6732%0.321SS*.THydrogen-bonded Turntrans-61.5-27.1174.573.3-92.5000112.7L40 F93L40-W61 HydrophobicContact CD2-CH2 4.42Å; L40-W61 HydrophobicContact CD2-CZ3 4.01Å; W61-F93 WeakPolarHBondContact O-CE2 3.45Å
62L83.6Confident91Very high81 Ų8157.7 Ų57.742%0.42430%0.303SS..THydrogen-bonded Turntrans-89.1-52.2-177.8-175.466.1000111.7S60 G95S60-L62 PolarHBondContact O-N 3.23Å; S60-L62 PolarHBondContact OG-N 2.9Å; L62-G95 WeakPolarHBondContact O-CA 3.31Å; L62-G95 PolarHBondContact O-N 3.45Å
63I87.3Confident91Very high83 Ų8355.7 Ų55.743%0.42629%0.288SS..THydrogen-bonded Turntrans-77.3-32.3-174.2-64.3174.5000110.8S60 H65 L66 G95S60-I63 WeakPolarHBondContact OG-CB 3.37Å; S60-I63 PolarHBondContact OG-N 3.32Å; I63-H65 PolarHBondContact O-N 3.36Å; I63-L66 HydrophobicContact CG2-CB 3.73Å; I63-L66 HydrophobicContact CG2-CD2 4.38Å; I63-G95 PolarHBondContact O-N 3.35Å
64G93.1Very high91Very high0 Ų058.9 Ų58.90%030%0.303CS..BIsolated β-bridgetrans69.7-121.4-178.400000112.2H59 S60H59-G64 PolarHBondContact N-O 3.46Å; S60-G64 WeakPolarHBondContact O-CA 3.42Å; S60-G64 PolarHBondContact O-N 3.39Å
65H93.6Very high91Very high0 Ų053.8 Ų53.80%028%0.276CS..THydrogen-bonded Turntrans-103.78.1-175.4-55.382.1000112.8P56 T58 I63 G67 Q68 W92 F93 F94P56-H65 PolarHBondContact O-NE2 3.43Å; T58-H65 WeakPolarHBondContact CG2-CE1 3.49Å; I63-H65 PolarHBondContact O-N 3.36Å; H65-G67 PolarHBondContact O-N 2.98Å; H65-Q68 PolarHBondContact CD2-OE1 3.44Å; H65-Q68 WeakPolarHBondContact O-CB 3.18Å; H65-Q68 PolarHBondContact O-N 3.37Å; H65-Q68 VanDerWaalsContact O-N 3.1Å; H65-W92 HydrophobicContact CB-CD2 3.85Å; H65-W92 HydrophobicContact CB-CE3 3.36Å; H65-W92 HydrophobicContact CB-CH2 4.24Å; H65-W92 HydrophobicContact CB-CZ3 3.59Å; H65-W92 AromaticContact CD2-CD2 3.91Å; H65-W92 AromaticContact CD2-CE2 3.9Å; H65-W92 AromaticContact CG-CD2 3.81Å; H65-W92 AromaticContact CG-CE3 3.88Å; H65-F93 PolarHBondContact N-O 3.33Å; H65-F93 AromaticContact ND1-CD1 3.91Å; H65-F93 PolarHBondContact ND1-N 2.93Å; H65-F93 PolarHBondContact ND1-O 3.28Å; H65-F94 HydrophobicContact CB-CD1 4.21Å; H65-F94 HydrophobicContact CB-CE1 3.85Å; H65-F94 WeakPolarHBondContact O-CE1 3.23Å
66L89.4Confident91Very high33 Ų3349.3 Ų49.317%0.17326%0.257CS..THydrogen-bonded Turntrans-60.7130.2-179.4-177.570.5000109.5I63 F94 I241I63-L66 HydrophobicContact CG2-CB 3.73Å; I63-L66 HydrophobicContact CG2-CD2 4.38Å; L66-F94 HydrophobicContact CB-CB 4.45Å; L66-F94 HydrophobicContact CB-CD1 4.04Å; L66-F94 HydrophobicContact CB-CG 4.45Å; L66-F94 HydrophobicContact CD1-CB 4.49Å; L66-F94 HydrophobicContact CD1-CD1 4.49Å; L66-F94 HydrophobicContact CD1-CG 4.33Å; L66-I241 HydrophobicContact CD2-CB 4.03Å; L66-I241 HydrophobicContact CD2-CD1 4.27Å
67G86.2Confident91.1Very high24 Ų2453.1 Ų53.125%0.24728%0.275CS..THydrogen-bonded Turntrans89.3-6.1-178.100000115H65 Q70H65-G67 PolarHBondContact O-N 2.98Å; G67-Q70 WeakPolarHBondContact O-CG 3.49Å; G67-Q70 PolarHBondContact O-NE2 3.03Å
68Q90.4Very high91.2Very high35 Ų3552 Ų5216%0.16426%0.26CS..SBendtrans-81.5152.2169-61.9-175.6-100111.2P57 H59 H65 W92P57-Q68 PolarHBondContact O-NE2 3.07Å; H59-Q68 VanDerWaalsContact NE2-CG 3.32Å; H59-Q68 WeakPolarHBondContact NE2-CG 3.36Å; H65-Q68 PolarHBondContact CD2-OE1 3.44Å; H65-Q68 WeakPolarHBondContact O-CB 3.18Å; H65-Q68 PolarHBondContact O-N 3.37Å; H65-Q68 VanDerWaalsContact O-N 3.1Å; Q68-W92 HydrophobicContact CB-CH2 3.89Å; Q68-W92 HydrophobicContact CB-CZ3 4.2Å
69M89.3Confident91.4Very high21 Ų2150.3 Ų50.310%0.10325%0.25CS..SBendtrans52.358-178.4-62.7170.2-168.200111.3Q78 V79 L82 W92 R102M69-Q78 HydrophobicContact CE-CB 4.48Å; M69-Q78 WeakPolarHBondContact CE-O 3.09Å; M69-Q78 HydrophobicContact CG-CB 3.84Å; M69-V79 HydrophobicContact CB-CG2 4.18Å; M69-V79 HydrophobicContact CG-CG2 3.9Å; M69-V79 HydrophobicContact SD-CG2 3.66Å; M69-L82 HydrophobicContact CE-CB 3.55Å; M69-L82 HydrophobicContact CE-CD1 3.87Å; M69-L82 HydrophobicContact CE-CD2 3.64Å; M69-L82 HydrophobicContact CE-CG 3.86Å; M69-L82 HydrophobicContact SD-CD2 4.21Å; M69-W92 HydrophobicContact CB-CH2 4.4Å; M69-W92 HydrophobicContact CE-CH2 3.71Å; M69-W92 HydrophobicContact CE-CZ2 3.45Å; M69-W92 VanDerWaalsContact CE-CZ2 3.45Å; M69-W92 HydrophobicContact CG-CH2 3.97Å; M69-W92 HydrophobicContact SD-CH2 3.36Å; M69-W92 WeakPolarHBondContact SD-CH2 3.43Å; M69-W92 HydrophobicContact SD-CZ2 3.55Å; M69-W92 VanDerWaalsContact SD-CZ2 3.55Å; M69-W92 HydrophobicContact SD-CZ3 4.4Å; M69-R102 VanDerWaalsContact SD-CZ 3.58Å; M69-R102 PolarHBondContact SD-NH1 3.48Å
70Q90.2Very high91.8Very high104 Ų10445 Ų4549%0.48623%0.226SC..  trans-60.9165.4178.4-62.2-170.6-1100111.4G67 T72 G75G67-Q70 WeakPolarHBondContact O-CG 3.49Å; G67-Q70 PolarHBondContact O-NE2 3.03Å; Q70-T72 HydrophobicContact CB-CG2 4.37Å; Q70-T72 PolarHBondContact O-N 3.1Å; Q70-G75 WeakPolarHBondContact O-CA 3.13Å
71S92.1Very high92.1Very high23 Ų2348.9 Ų48.916%0.16124%0.24CC..SBendtrans-75.760173.8-84.60000111.7I235 P514S71-I235 VanDerWaalsContact OG-CG2 3.25Å; S71-I235 WeakPolarHBondContact OG-CG2 3.2Å; S71-P514 WeakPolarHBondContact CB-O 3.33Å; S71-P514 PolarHBondContact OG-O 3.41Å
72T94.4Very high92.7Very high37 Ų3741 Ų4123%0.22721%0.211CC..SBendtrans-140.1170.7178.668.50000111.1Q70 E74 G75 L76Q70-T72 HydrophobicContact CB-CG2 4.37Å; Q70-T72 PolarHBondContact O-N 3.1Å; T72-E74 VanDerWaalsContact C-N 3.32Å; T72-E74 PolarHBondContact O-N 2.95Å; T72-E74 PolarHBondContact OG1-OE2 2.9Å; T72-G75 PolarHBondContact O-N 3.23Å; T72-G75 VanDerWaalsContact O-N 3.13Å; T72-G75 PolarHBondContact OG1-N 3.35Å; T72-L76 PolarHBondContact O-N 3.07Å; T72-L76 VanDerWaalsContact O-N 3.1Å
73E95.1Very high93.3Very high12 Ų1237.1 Ų37.16%0.05619%0.191CC..Hα-helixtrans-56.6-44.6172.9176.460.3-148.400111.7G75 L76 Q77 R511 R512E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 2.78Å; E73-L76 WeakPolarHBondContact O-CB 3.19Å; E73-L76 PolarHBondContact O-N 2.78Å; E73-L76 VanDerWaalsContact O-N 3.16Å; E73-Q77 WeakPolarHBondContact O-CG 3.24Å; E73-Q77 PolarHBondContact O-N 3.41Å; E73-Q77 PolarHBondContact OE1-NE2 3.37Å; E73-Q77 VanDerWaalsContact OE1-NE2 3.15Å; E73-R511 HydrophobicContact CB-CB 4.18Å; E73-R511 HydrophobicContact CG-CB 4.47Å; E73-R512 PolarHBondContact N-O 3.18Å; E73-R512 IonicContact OE1-CZ 3.1Å; E73-R512 IonicContact OE1-NE 3.53Å; E73-R512 PolarHBondContact OE1-NE 3.28Å; E73-R512 IonicContact OE1-NH2 3.24Å; E73-R512 PolarHBondContact OE1-NH2 3.24Å; E73-R512 WeakPolarHBondContact OE2-CB 3.41Å; E73-R512 WeakPolarHBondContact OE2-CG 3.46Å; E73-R512 IonicContact OE2-CZ 3.96Å; E73-R512 PolarHBondContact OE2-N 2.76Å; E73-R512 IonicContact OE2-NE 2.78Å; E73-R512 PolarHBondContact OE2-NE 2.98Å; E73-R512 IonicContact OE2-NH2 3.93Å
74E95.9Very high93.6Very high73 Ų7338 Ų3834%0.34119%0.193SC..Hα-helixtrans-63.6-35.6176.5-63.873.3-159.400111.4T72 L76 Q77 Q78 R511T72-E74 VanDerWaalsContact C-N 3.32Å; T72-E74 PolarHBondContact O-N 2.95Å; T72-E74 PolarHBondContact OG1-OE2 2.9Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.94Å; E74-Q77 PolarHBondContact O-N 2.92Å; E74-Q78 WeakPolarHBondContact O-CG 3.5Å; E74-Q78 PolarHBondContact O-N 3.5Å; E74-R511 VanDerWaalsContact CD-NH2 3.29Å; E74-R511 IonicContact OE1-CZ 2.65Å; E74-R511 IonicContact OE1-NH1 3.75Å; E74-R511 PolarHBondContact OE1-NH1 2.86Å; E74-R511 IonicContact OE1-NH2 3.33Å; E74-R511 PolarHBondContact OE1-NH2 3.41Å; E74-R511 IonicContact OE2-NH2 2.81Å; E74-R511 PolarHBondContact OE2-NH2 3.43Å
75G95.3Very high93.7Very high3 Ų342.6 Ų42.63%0.03122%0.221CC..Hα-helixtrans-65.1-34.5174.900000113.3Q70 T72 E73 V79Q70-G75 WeakPolarHBondContact O-CA 3.13Å; T72-G75 PolarHBondContact O-N 3.23Å; T72-G75 VanDerWaalsContact O-N 3.13Å; T72-G75 PolarHBondContact OG1-N 3.35Å; E73-G75 VanDerWaalsContact C-N 3.27Å; E73-G75 PolarHBondContact O-N 2.78Å; G75-V79 WeakPolarHBondContact O-CG2 3.43Å; G75-V79 PolarHBondContact O-N 3.45Å
76L95.6Very high93.7Very high9 Ų945 Ų455%0.04723%0.23CC..Hα-helixtrans-68.2-40.8170.7-70.6-179.9000112T72 E73 E74 Q78 V79 D80 Q400 Y429 R512 P514 L518T72-L76 PolarHBondContact O-N 3.07Å; T72-L76 VanDerWaalsContact O-N 3.1Å; E73-L76 WeakPolarHBondContact O-CB 3.19Å; E73-L76 PolarHBondContact O-N 2.78Å; E73-L76 VanDerWaalsContact O-N 3.16Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.94Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.02Å; L76-V79 WeakPolarHBondContact O-CA 3.46Å; L76-V79 VanDerWaalsContact O-CB 3.29Å; L76-V79 WeakPolarHBondContact O-CB 3.37Å; L76-V79 PolarHBondContact O-N 2.97Å; L76-D80 PolarHBondContact O-N 3.49Å; L76-Q400 HydrophobicContact CD2-CG 4.45Å; L76-Y429 HydrophobicContact CB-CE1 4.3Å; L76-Y429 HydrophobicContact CD1-CE2 4.35Å; L76-Y429 HydrophobicContact CD2-CD1 4.15Å; L76-Y429 HydrophobicContact CD2-CD2 4.23Å; L76-Y429 HydrophobicContact CD2-CE1 4.2Å; L76-Y429 HydrophobicContact CD2-CE2 4.28Å; L76-Y429 HydrophobicContact CD2-CG 4.18Å; L76-R512 HydrophobicContact CD1-CB 3.74Å; L76-R512 HydrophobicContact CD1-CG 4.42Å; L76-P514 HydrophobicContact CD1-CG 3.83Å; L76-P514 HydrophobicContact CD2-CG 3.85Å; L76-P514 HydrophobicContact CG-CG 3.61Å; L76-L518 HydrophobicContact CD1-CD1 4.49Å
77Q95.8Very high93.7Very high86 Ų8646.5 Ų46.540%0.40224%0.236SC..Hα-helixtrans-61.9-38.2175.8-67.1169.97.600111.4E73 E74 V79 D80 E81E73-Q77 WeakPolarHBondContact O-CG 3.24Å; E73-Q77 PolarHBondContact O-N 3.41Å; E73-Q77 PolarHBondContact OE1-NE2 3.37Å; E73-Q77 VanDerWaalsContact OE1-NE2 3.15Å; E74-Q77 PolarHBondContact O-N 2.92Å; Q77-V79 VanDerWaalsContact C-N 3.27Å; Q77-V79 PolarHBondContact O-N 3.46Å; Q77-D80 WeakPolarHBondContact O-CA 3.45Å; Q77-D80 WeakPolarHBondContact O-CB 3.36Å; Q77-D80 PolarHBondContact O-N 2.72Å; Q77-E81 PolarHBondContact O-N 2.74Å
78Q95.9Very high94.1Very high78 Ų7848.1 Ų48.136%0.36424%0.237SC..Hα-helixtrans-61.4-34.9170.6-72.1175.1-400112.4M69 E74 L76 D80 L82M69-Q78 HydrophobicContact CE-CB 4.48Å; M69-Q78 WeakPolarHBondContact CE-O 3.09Å; M69-Q78 HydrophobicContact CG-CB 3.84Å; E74-Q78 WeakPolarHBondContact O-CG 3.5Å; E74-Q78 PolarHBondContact O-N 3.5Å; L76-Q78 VanDerWaalsContact C-N 3.29Å; L76-Q78 PolarHBondContact O-N 3.02Å; Q78-D80 VanDerWaalsContact C-N 3.34Å; Q78-L82 WeakPolarHBondContact O-CB 3.31Å; Q78-L82 PolarHBondContact O-N 2.86Å
79V96.1Very high94.4Very high12 Ų1246.9 Ų46.97%0.07323%0.232CC..Hα-helixtrans-65.6-40.1172.3178.90000110.5M69 G75 L76 Q77 L82 V83 Y429M69-V79 HydrophobicContact CB-CG2 4.18Å; M69-V79 HydrophobicContact CG-CG2 3.9Å; M69-V79 HydrophobicContact SD-CG2 3.66Å; G75-V79 WeakPolarHBondContact O-CG2 3.43Å; G75-V79 PolarHBondContact O-N 3.45Å; L76-V79 WeakPolarHBondContact O-CA 3.46Å; L76-V79 VanDerWaalsContact O-CB 3.29Å; L76-V79 WeakPolarHBondContact O-CB 3.37Å; L76-V79 PolarHBondContact O-N 2.97Å; Q77-V79 VanDerWaalsContact C-N 3.27Å; Q77-V79 PolarHBondContact O-N 3.46Å; V79-L82 WeakPolarHBondContact O-CB 3.38Å; V79-L82 PolarHBondContact O-N 2.78Å; V79-V83 HydrophobicContact CG1-CG2 4.2Å; V79-V83 WeakPolarHBondContact O-CB 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.39Å; V79-Y429 HydrophobicContact CB-CD1 4.17Å; V79-Y429 HydrophobicContact CB-CE1 4.24Å; V79-Y429 HydrophobicContact CG1-CD1 3.77Å; V79-Y429 HydrophobicContact CG1-CE1 4.22Å
80D95.7Very high94.7Very high14 Ų1445.9 Ų45.98%0.07523%0.227CC..Hα-helixtrans-61.3-47.1176.2-65.1-40.7000111.4L76 Q77 Q78 L82 V83 Q84 Y429 H442L76-D80 PolarHBondContact O-N 3.49Å; Q77-D80 WeakPolarHBondContact O-CA 3.45Å; Q77-D80 WeakPolarHBondContact O-CB 3.36Å; Q77-D80 PolarHBondContact O-N 2.72Å; Q78-D80 VanDerWaalsContact C-N 3.34Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.43Å; D80-V83 PolarHBondContact O-N 3.36Å; D80-Q84 WeakPolarHBondContact O-CB 3.46Å; D80-Q84 VanDerWaalsContact O-CG 3.29Å; D80-Q84 WeakPolarHBondContact O-CG 3.26Å; D80-Q84 PolarHBondContact O-N 2.91Å; D80-Y429 WeakPolarHBondContact OD1-CE1 3.38Å; D80-Y429 PolarHBondContact OD1-OH 2.77Å; D80-Y429 PolarHBondContact OD2-OH 3.12Å; D80-H442 VanDerWaalsContact CG-CE1 3.45Å; D80-H442 IonicContact OD1-CE1 3.16Å; D80-H442 PolarHBondContact OD1-CE1 3.21Å; D80-H442 IonicContact OD2-CE1 3.14Å; D80-H442 PolarHBondContact OD2-CE1 2.79Å
81E95.9Very high95Very high121 Ų12141.3 Ų41.357%0.56521%0.206SC*.Hα-helixtrans-58.7-42.8175.1-69.9174.1-176.900112.1Q77 Q84 T85Q77-E81 PolarHBondContact O-N 2.74Å; E81-Q84 PolarHBondContact O-N 2.97Å; E81-T85 WeakPolarHBondContact O-CB 3.27Å; E81-T85 PolarHBondContact O-N 3.16Å; E81-T85 PolarHBondContact O-OG1 2.86Å
82L95.9Very high95.2Very high11 Ų1140.3 Ų40.36%0.05820%0.199CC..Hα-helixtrans-61.7-46.5176.3-17483.8000111.3P56 M69 Q78 V79 D80 Q84 T85 Y86 W92 F104P56-L82 HydrophobicContact CB-CD1 4.17Å; P56-L82 HydrophobicContact CG-CD1 3.52Å; M69-L82 HydrophobicContact CE-CB 3.55Å; M69-L82 HydrophobicContact CE-CD1 3.87Å; M69-L82 HydrophobicContact CE-CD2 3.64Å; M69-L82 HydrophobicContact CE-CG 3.86Å; M69-L82 HydrophobicContact SD-CD2 4.21Å; Q78-L82 WeakPolarHBondContact O-CB 3.31Å; Q78-L82 PolarHBondContact O-N 2.86Å; V79-L82 WeakPolarHBondContact O-CB 3.38Å; V79-L82 PolarHBondContact O-N 2.78Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-L82 PolarHBondContact O-N 3.43Å; L82-Q84 VanDerWaalsContact C-N 3.32Å; L82-T85 PolarHBondContact O-N 2.78Å; L82-Y86 HydrophobicContact CD1-CD2 3.47Å; L82-Y86 VanDerWaalsContact CD1-CD2 3.47Å; L82-Y86 HydrophobicContact CD1-CE2 3.67Å; L82-Y86 HydrophobicContact CG-CD2 4Å; L82-Y86 WeakPolarHBondContact O-CD2 3.35Å; L82-Y86 PolarHBondContact O-N 3.2Å; L82-W92 HydrophobicContact CD1-CZ2 4.46Å; L82-W92 HydrophobicContact CD2-CZ2 4.47Å; L82-F104 HydrophobicContact CD2-CE1 4.24Å
83V95.9Very high95.2Very high1 Ų139 Ų391%0.00619%0.19CC..Hα-helixtrans-63.2-42.7179.7169.80000110.3V79 D80 T85 K87 F104 N434V79-V83 HydrophobicContact CG1-CG2 4.2Å; V79-V83 WeakPolarHBondContact O-CB 3.31Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.39Å; D80-V83 PolarHBondContact O-N 3.36Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.41Å; V83-K87 VanDerWaalsContact O-CA 3.23Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.92Å; V83-F104 HydrophobicContact CB-CD2 4.02Å; V83-F104 HydrophobicContact CB-CE2 4.18Å; V83-F104 HydrophobicContact CG1-CD2 3.88Å; V83-F104 HydrophobicContact CG1-CE2 4.25Å; V83-F104 HydrophobicContact CG2-CB 4.06Å; V83-F104 HydrophobicContact CG2-CD1 4.43Å; V83-F104 HydrophobicContact CG2-CD2 3.65Å; V83-F104 HydrophobicContact CG2-CE2 4.14Å; V83-F104 HydrophobicContact CG2-CG 3.8Å; V83-N434 HydrophobicContact CG1-CB 4.01Å
84Q94.4Very high95Very high102 Ų10239.7 Ų39.748%0.47719%0.193SC..Hα-helixtrans-63.7-36.1176.8-72.6177.213.800112.8D80 E81 L82 K87 P435D80-Q84 WeakPolarHBondContact O-CB 3.46Å; D80-Q84 VanDerWaalsContact O-CG 3.29Å; D80-Q84 WeakPolarHBondContact O-CG 3.26Å; D80-Q84 PolarHBondContact O-N 2.91Å; E81-Q84 PolarHBondContact O-N 2.97Å; L82-Q84 VanDerWaalsContact C-N 3.32Å; Q84-K87 WeakPolarHBondContact O-CD 3.31Å; Q84-K87 WeakPolarHBondContact O-CE 3.24Å; Q84-K87 PolarHBondContact O-NZ 3.35Å; Q84-P435 HydrophobicContact CG-CG 4.42Å
85T95.4Very high94.4Very high96 Ų9636.4 Ų36.459%0.58918%0.179SC*.Hα-helixtrans-80-49.3-176.7-56.70000112.5E81 L82 V83E81-T85 WeakPolarHBondContact O-CB 3.27Å; E81-T85 PolarHBondContact O-N 3.16Å; E81-T85 PolarHBondContact O-OG1 2.86Å; L82-T85 PolarHBondContact O-N 2.78Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 3.41Å
86Y94Very high94Very high49 Ų4937 Ų3719%0.19218%0.182CC..Hα-helixtrans-100.2-10.8-169.6-66.5-75.9000114N54 P56 L82 H88 C90N54-Y86 HydrophobicContact CB-CD1 3.55Å; N54-Y86 HydrophobicContact CB-CE1 3.67Å; P56-Y86 VanDerWaalsContact CA-OH 3.31Å; P56-Y86 WeakPolarHBondContact CA-OH 3.49Å; P56-Y86 HydrophobicContact CB-CE2 4.04Å; P56-Y86 HydrophobicContact CG-CD2 4.34Å; P56-Y86 HydrophobicContact CG-CE2 3.73Å; L82-Y86 HydrophobicContact CD1-CD2 3.47Å; L82-Y86 VanDerWaalsContact CD1-CD2 3.47Å; L82-Y86 HydrophobicContact CD1-CE2 3.67Å; L82-Y86 HydrophobicContact CG-CD2 4Å; L82-Y86 WeakPolarHBondContact O-CD2 3.35Å; L82-Y86 PolarHBondContact O-N 3.2Å; Y86-H88 PolarHBondContact O-N 3.35Å; Y86-C90 HydrophobicContact CD1-CB 4.4Å; Y86-C90 HydrophobicContact CD2-CB 4.5Å; Y86-C90 HydrophobicContact CG-CB 4.17Å
87K88.1Confident93.6Very high66 Ų6638.8 Ų38.829%0.28719%0.189SC..THydrogen-bonded Turntrans58.6-43.7174.6-56.1-58.1-166-166.90117.9V83 Q84 F104 N434 E436V83-K87 VanDerWaalsContact O-CA 3.23Å; V83-K87 WeakPolarHBondContact O-CA 3.38Å; V83-K87 PolarHBondContact O-N 2.92Å; Q84-K87 WeakPolarHBondContact O-CD 3.31Å; Q84-K87 WeakPolarHBondContact O-CE 3.24Å; Q84-K87 PolarHBondContact O-NZ 3.35Å; K87-F104 VanDerWaalsContact O-CD2 3.23Å; K87-F104 WeakPolarHBondContact O-CD2 3.22Å; K87-F104 WeakPolarHBondContact O-CE2 3.47Å; K87-N434 PolarHBondContact O-ND2 3.47Å; K87-E436 WeakPolarHBondContact CB-OE1 3.31Å; K87-E436 HydrophobicContact CD-CG 4.23Å; K87-E436 WeakPolarHBondContact CD-OE1 3.29Å; K87-E436 VanDerWaalsContact CG-OE1 3.26Å; K87-E436 WeakPolarHBondContact CG-OE1 3.48Å
88H94.4Very high93.4Very high58 Ų5837.8 Ų37.827%0.26918%0.182SC..THydrogen-bonded Turntrans-118.5-53.4-172.3-53.8143000114.3Y86 F104 H105 Y108 E436Y86-H88 PolarHBondContact O-N 3.35Å; H88-F104 PolarHBondContact O-N 3.3Å; H88-H105 HydrophobicContact CB-CB 4.11Å; H88-H105 AromaticContact CD2-CD2 3.62Å; H88-H105 AromaticContact CD2-CG 3.5Å; H88-H105 VanDerWaalsContact CD2-CG 3.5Å; H88-H105 PolarHBondContact O-N 3.23Å; H88-Y108 HydrophobicContact CB-CD2 3.67Å; H88-Y108 HydrophobicContact CB-CE1 4.39Å; H88-Y108 HydrophobicContact CB-CE2 3.49Å; H88-Y108 VanDerWaalsContact CB-CE2 3.49Å; H88-Y108 HydrophobicContact CB-CG 4.19Å; H88-Y108 AromaticContact CG-CE2 3.48Å; H88-Y108 VanDerWaalsContact CG-CE2 3.48Å; H88-Y108 AromaticContact ND1-CE2 3.78Å; H88-E436 IonicContact CD2-OE2 2.93Å; H88-E436 PolarHBondContact CD2-OE2 3.3Å; H88-E436 IonicContact CE1-OE2 3.95Å; H88-E436 IonicContact NE2-OE1 2.71Å; H88-E436 IonicContact NE2-OE2 2.74Å; H88-E436 PolarHBondContact NE2-OE2 3.46Å
89S96.2Very high93.3Very high8 Ų834.5 Ų34.56%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-163162.3-17363.60000112.8F53 R102F53-S89 WeakPolarHBondContact CD1-OG 3.32Å; S89-R102 CarbonylContact C-O 3.52Å; S89-R102 WeakPolarHBondContact CA-O 3.2Å; S89-R102 VanDerWaalsContact CB-O 3.29Å; S89-R102 WeakPolarHBondContact CB-O 3.05Å
90C96.9Very high93.3Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-155.5154.717260.20000112.3N54 P56 Y86 W92 R102N54-C90 CarbonylContact O-C 3.56Å; N54-C90 WeakPolarHBondContact O-CA 3.25Å; N54-C90 VanDerWaalsContact O-CB 3.26Å; N54-C90 WeakPolarHBondContact O-CB 3.41Å; P56-C90 HydrophobicContact CG-CB 4.07Å; Y86-C90 HydrophobicContact CD1-CB 4.4Å; Y86-C90 HydrophobicContact CD2-CB 4.5Å; Y86-C90 HydrophobicContact CG-CB 4.17Å; C90-W92 PolarHBondContact SG-NE1 2.92Å; C90-R102 PolarHBondContact N-O 2.97Å; C90-R102 PolarHBondContact O-N 3.4Å
91S96.9Very high93.4Very high8 Ų833.4 Ų33.46%0.05616%0.161CC..EExtended strand (participates in β ladder)trans-90.4141.8177.258.30000112.2F53 N54 P56F53-S91 PolarHBondContact O-OG 3.47Å; N54-S91 PolarHBondContact O-N 2.93Å; P56-S91 VanDerWaalsContact CD-O 3.31Å; P56-S91 WeakPolarHBondContact CD-O 3.49Å
92W95.3Very high93.5Very high3 Ų329 Ų291%0.01114%0.139CC..EExtended strand (participates in β ladder)trans-134.7157.1-175.7-82.954.7000109.9H65 Q68 M69 L82 C90 F94 M100 R102H65-W92 HydrophobicContact CB-CD2 3.85Å; H65-W92 HydrophobicContact CB-CE3 3.36Å; H65-W92 HydrophobicContact CB-CH2 4.24Å; H65-W92 HydrophobicContact CB-CZ3 3.59Å; H65-W92 AromaticContact CD2-CD2 3.91Å; H65-W92 AromaticContact CD2-CE2 3.9Å; H65-W92 AromaticContact CG-CD2 3.81Å; H65-W92 AromaticContact CG-CE3 3.88Å; Q68-W92 HydrophobicContact CB-CH2 3.89Å; Q68-W92 HydrophobicContact CB-CZ3 4.2Å; M69-W92 HydrophobicContact CB-CH2 4.4Å; M69-W92 HydrophobicContact CE-CH2 3.71Å; M69-W92 HydrophobicContact CE-CZ2 3.45Å; M69-W92 VanDerWaalsContact CE-CZ2 3.45Å; M69-W92 HydrophobicContact CG-CH2 3.97Å; M69-W92 HydrophobicContact SD-CH2 3.36Å; M69-W92 WeakPolarHBondContact SD-CH2 3.43Å; M69-W92 HydrophobicContact SD-CZ2 3.55Å; M69-W92 VanDerWaalsContact SD-CZ2 3.55Å; M69-W92 HydrophobicContact SD-CZ3 4.4Å; L82-W92 HydrophobicContact CD1-CZ2 4.46Å; L82-W92 HydrophobicContact CD2-CZ2 4.47Å; C90-W92 PolarHBondContact SG-NE1 2.92Å; W92-F94 AromaticContact CE3-CE1 3.75Å; W92-F94 HydrophobicContact CE3-CE1 3.75Å; W92-F94 AromaticContact CE3-CZ 4Å; W92-F94 HydrophobicContact CE3-CZ 4Å; W92-F94 HydrophobicContact CZ3-CE1 4.12Å; W92-F94 HydrophobicContact CZ3-CZ 4.34Å; W92-M100 HydrophobicContact CB-CB 4.04Å; W92-M100 PolarHBondContact N-O 3.03Å; W92-M100 PolarHBondContact O-N 3.48Å; W92-R102 HydrophobicContact CD2-CG 4.44Å; W92-R102 HydrophobicContact CG-CG 4.27Å
93F93.9Very high93.6Very high10 Ų1028.4 Ų28.44%0.04414%0.136CC..EExtended strand (participates in β ladder)trans-153.2149.5170.271.7-87.1000110.8H43 K55 T58 W61 H65 G95 Y98H43-F93 AromaticContact CE1-CD2 3.53Å; H43-F93 AromaticContact CE1-CE2 3.66Å; H43-F93 AromaticContact CE1-CG 3.9Å; K55-F93 HydrophobicContact CD-CE1 4.29Å; T58-F93 HydrophobicContact CG2-CE1 3.59Å; T58-F93 HydrophobicContact CG2-CZ 4.01Å; W61-F93 WeakPolarHBondContact O-CE2 3.45Å; H65-F93 PolarHBondContact N-O 3.33Å; H65-F93 AromaticContact ND1-CD1 3.91Å; H65-F93 PolarHBondContact ND1-N 2.93Å; H65-F93 PolarHBondContact ND1-O 3.28Å; F93-G95 WeakPolarHBondContact CD2-O 3.37Å; F93-Y98 CarbonylContact C-O 3.55Å; F93-Y98 WeakPolarHBondContact CA-O 3.45Å; F93-Y98 WeakPolarHBondContact CB-O 3.14Å
94F90.8Very high93.5Very high26 Ų2628.5 Ų28.511%0.11414%0.136CC..EExtended strand (participates in β ladder)trans-124.3105.8174.3-55.9-34.1000108.7H65 L66 W92 Y98 M100 F125H65-F94 HydrophobicContact CB-CD1 4.21Å; H65-F94 HydrophobicContact CB-CE1 3.85Å; H65-F94 WeakPolarHBondContact O-CE1 3.23Å; L66-F94 HydrophobicContact CB-CB 4.45Å; L66-F94 HydrophobicContact CB-CD1 4.04Å; L66-F94 HydrophobicContact CB-CG 4.45Å; L66-F94 HydrophobicContact CD1-CB 4.49Å; L66-F94 HydrophobicContact CD1-CD1 4.49Å; L66-F94 HydrophobicContact CD1-CG 4.33Å; W92-F94 AromaticContact CE3-CE1 3.75Å; W92-F94 HydrophobicContact CE3-CE1 3.75Å; W92-F94 AromaticContact CE3-CZ 4Å; W92-F94 HydrophobicContact CE3-CZ 4Å; W92-F94 HydrophobicContact CZ3-CE1 4.12Å; W92-F94 HydrophobicContact CZ3-CZ 4.34Å; F94-Y98 HydrophobicContact CB-CD2 4.48Å; F94-Y98 PolarHBondContact N-O 3.27Å; F94-Y98 PolarHBondContact O-N 3.06Å; F94-M100 HydrophobicContact CD2-SD 4.05Å; F94-M100 HydrophobicContact CE2-SD 3.54Å; F94-M100 VanDerWaalsContact CE2-SD 3.54Å; F94-M100 HydrophobicContact CZ-SD 4.07Å; F94-F125 HydrophobicContact CD2-CE1 4.38Å; F94-F125 HydrophobicContact CD2-CE2 4.39Å; F94-F125 AromaticContact CD2-CZ 3.85Å; F94-F125 HydrophobicContact CD2-CZ 3.85Å; F94-F125 HydrophobicContact CE2-CE1 4.13Å; F94-F125 AromaticContact CE2-CZ 3.94Å; F94-F125 HydrophobicContact CE2-CZ 3.94Å
95G85.3Confident93.7Very high4 Ų424.6 Ų24.64%0.04112%0.118CC..THydrogen-bonded Turntrans66.1-173-172.500000113L62 I63 F93 F97L62-G95 WeakPolarHBondContact O-CA 3.31Å; L62-G95 PolarHBondContact O-N 3.45Å; I63-G95 PolarHBondContact O-N 3.35Å; F93-G95 WeakPolarHBondContact CD2-O 3.37Å; G95-F97 PolarHBondContact O-N 3.38Å
96P86.4Confident93.7Very high14 Ų1420 Ų209%0.0919%0.09CC..THydrogen-bonded Turntrans-73.15.5161.933.9-36.6000113L39 H43L39-P96 HydrophobicContact CB-CB 4.15Å; L39-P96 HydrophobicContact CB-CG 4.36Å; L39-P96 HydrophobicContact CD1-CG 4.5Å; H43-P96 HydrophobicContact CB-CB 3.91Å
97F87.5Confident93.8Very high47 Ų4721.5 Ų21.521%0.20610%0.101CC..THydrogen-bonded Turntrans-94.6-42.5-167.5-53-68.3000113.4W35 L39 R42 G95 I241W35-F97 AromaticContact CH2-CE1 3.87Å; W35-F97 HydrophobicContact CH2-CE1 3.87Å; W35-F97 HydrophobicContact CZ3-CE1 4.35Å; L39-F97 HydrophobicContact CD1-CD1 4.17Å; L39-F97 HydrophobicContact CD1-CE1 3.58Å; L39-F97 HydrophobicContact CD1-CZ 4.45Å; L39-F97 HydrophobicContact CD2-CD1 4.11Å; L39-F97 HydrophobicContact CD2-CE1 4.36Å; R42-F97 PolarHBondContact NH2-O 3.21Å; G95-F97 PolarHBondContact O-N 3.38Å; F97-I241 HydrophobicContact CD2-CD1 4.01Å; F97-I241 HydrophobicContact CE2-CD1 3.87Å
98Y90.8Very high94.1Very high65 Ų6519.7 Ų19.726%0.2559%0.093SC..EExtended strand (participates in β ladder)trans-129.6133.6-172.4-54.9-77.7000111.1F93 F94 F125 I423F93-Y98 CarbonylContact C-O 3.55Å; F93-Y98 WeakPolarHBondContact CA-O 3.45Å; F93-Y98 WeakPolarHBondContact CB-O 3.14Å; F94-Y98 HydrophobicContact CB-CD2 4.48Å; F94-Y98 PolarHBondContact N-O 3.27Å; F94-Y98 PolarHBondContact O-N 3.06Å; Y98-F125 HydrophobicContact CD1-CB 4.26Å; Y98-F125 AromaticContact CD1-CD2 3.91Å; Y98-F125 HydrophobicContact CD1-CD2 3.91Å; Y98-F125 HydrophobicContact CD1-CG 4.32Å; Y98-F125 HydrophobicContact CD2-CD2 4.03Å; Y98-F125 HydrophobicContact CD2-CE2 4.08Å; Y98-F125 HydrophobicContact CE1-CB 4.1Å; Y98-F125 AromaticContact CE1-CD2 3.73Å; Y98-F125 HydrophobicContact CE1-CD2 3.73Å; Y98-F125 HydrophobicContact CE1-CG 4.31Å; Y98-F125 AromaticContact CE2-CD2 3.87Å; Y98-F125 HydrophobicContact CE2-CD2 3.87Å; Y98-F125 HydrophobicContact CE2-CE2 4.06Å; Y98-F125 HydrophobicContact CG-CD2 4.06Å; Y98-F125 HydrophobicContact CG-CE2 4.41Å; Y98-F125 AromaticContact CZ-CD2 3.72Å; Y98-I423 HydrophobicContact CD1-CD1 4.08Å
99H94.6Very high94.3Very high9 Ų917 Ų174%0.0428%0.08CC..EExtended strand (participates in β ladder)trans-123.7138.5175.7-62.578.3000108.2H43 Y46 L50 V422 I423H43-H99 AromaticContact CE1-NE2 3.79Å; H43-H99 AromaticContact CG-NE2 3.81Å; H43-H99 AromaticContact ND1-CE1 3.59Å; H43-H99 AromaticContact ND1-NE2 3.09Å; H43-H99 PolarHBondContact ND1-NE2 3.46Å; H43-H99 PolarHBondContact O-NE2 3.45Å; Y46-H99 WeakPolarHBondContact CB-CD2 3.37Å; Y46-H99 VanDerWaalsContact CB-CG 3.44Å; Y46-H99 HydrophobicContact CD1-CB 4.49Å; Y46-H99 AromaticContact CD2-ND1 3.86Å; Y46-H99 HydrophobicContact CG-CB 4.26Å; Y46-H99 AromaticContact CG-CG 3.93Å; Y46-H99 AromaticContact CG-ND1 3.94Å; L50-H99 HydrophobicContact CD1-CB 3.96Å; H99-V422 HydrophobicContact CB-CG2 4.49Å; H99-I423 PolarHBondContact O-N 2.69Å
100M95.7Very high94.3Very high4 Ų421.1 Ų21.12%0.0210%0.097CC..EExtended strand (participates in β ladder)trans-139.4153.1-172-44.2-173.545.300112W92 F94 I423 L425W92-M100 HydrophobicContact CB-CB 4.04Å; W92-M100 PolarHBondContact N-O 3.03Å; W92-M100 PolarHBondContact O-N 3.48Å; F94-M100 HydrophobicContact CD2-SD 4.05Å; F94-M100 HydrophobicContact CE2-SD 3.54Å; F94-M100 VanDerWaalsContact CE2-SD 3.54Å; F94-M100 HydrophobicContact CZ-SD 4.07Å; M100-I423 CarbonylContact C-O 3.28Å; M100-I423 WeakPolarHBondContact CA-O 3.4Å; M100-I423 HydrophobicContact CB-CB 4.4Å; M100-I423 WeakPolarHBondContact CB-O 3.06Å; M100-I423 HydrophobicContact CE-CB 4.34Å; M100-I423 HydrophobicContact CE-CG2 3.87Å; M100-I423 HydrophobicContact CG-CB 3.99Å; M100-I423 HydrophobicContact CG-CD1 4.39Å; M100-L425 HydrophobicContact CE-CB 3.78Å; M100-L425 HydrophobicContact CE-CD1 3.82Å; M100-L425 HydrophobicContact CE-CG 4.44Å
101V97.4Very high94.2Very high0 Ų023.3 Ų23.30%011%0.112CC..EExtended strand (participates in β ladder)trans-116.6128.2162.3175.10000107.2L50 F53 V103 V418 V422 I423 C424 L425L50-V101 HydrophobicContact CD2-CG2 3.41Å; L50-V101 VanDerWaalsContact CD2-CG2 3.41Å; F53-V101 HydrophobicContact CD1-CG1 4.07Å; F53-V101 HydrophobicContact CD2-CG2 3.92Å; F53-V101 HydrophobicContact CE1-CG1 3.74Å; F53-V101 HydrophobicContact CE2-CG1 4.39Å; F53-V101 HydrophobicContact CE2-CG2 3.7Å; F53-V101 HydrophobicContact CG-CG2 4.41Å; F53-V101 HydrophobicContact CZ-CG1 3.92Å; F53-V101 HydrophobicContact CZ-CG2 4.02Å; V101-V103 HydrophobicContact CG1-CG1 3.94Å; V101-V418 HydrophobicContact CG1-CG2 4.43Å; V101-V422 HydrophobicContact CG2-CG1 4.05Å; V101-I423 PolarHBondContact N-O 3.14Å; V101-C424 CarbonylContact O-C 3.45Å; V101-C424 WeakPolarHBondContact O-CA 3.48Å; V101-L425 PolarHBondContact O-N 2.95Å
102R97.4Very high94.1Very high27 Ų2723 Ų2310%0.10211%0.109CC..EExtended strand (participates in β ladder)trans-96130.5169.4-71.8-175.2156.9-122.60.9108.8M69 S89 C90 W92 L425M69-R102 VanDerWaalsContact SD-CZ 3.58Å; M69-R102 PolarHBondContact SD-NH1 3.48Å; S89-R102 CarbonylContact C-O 3.52Å; S89-R102 WeakPolarHBondContact CA-O 3.2Å; S89-R102 VanDerWaalsContact CB-O 3.29Å; S89-R102 WeakPolarHBondContact CB-O 3.05Å; C90-R102 PolarHBondContact N-O 2.97Å; C90-R102 PolarHBondContact O-N 3.4Å; W92-R102 HydrophobicContact CD2-CG 4.44Å; W92-R102 HydrophobicContact CG-CG 4.27Å; R102-L425 WeakPolarHBondContact CA-O 3.43Å; R102-L425 HydrophobicContact CG-CB 4.11Å; R102-L425 HydrophobicContact CG-CD1 4.42Å; R102-L425 HydrophobicContact CG-CD2 4.17Å; R102-L425 HydrophobicContact CG-CG 4.46Å
103V97.6Very high94.2Very high0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans-123.7140.9175.1-630000110.5V101 V109 L112 L412 L425 V426 S427V101-V103 HydrophobicContact CG1-CG1 3.94Å; V103-V109 HydrophobicContact CB-CG2 4.27Å; V103-V109 HydrophobicContact CG2-CG2 3.89Å; V103-L112 HydrophobicContact CB-CD1 4.27Å; V103-L112 HydrophobicContact CG1-CD1 3.78Å; V103-L112 HydrophobicContact CG2-CD1 3.64Å; V103-L412 HydrophobicContact CG1-CD1 4.31Å; V103-L425 PolarHBondContact N-O 3.09Å; V103-V426 HydrophobicContact CG2-CB 4.26Å; V103-V426 HydrophobicContact CG2-CG2 3.83Å; V103-S427 PolarHBondContact O-N 3.43Å
104F95.6Very high94.2Very high2 Ų227.1 Ų27.11%0.00913%0.13CC..  trans-15111.9-174.146.5-93.5000113.6L82 V83 K87 H88 T431 N434L82-F104 HydrophobicContact CD2-CE1 4.24Å; V83-F104 HydrophobicContact CB-CD2 4.02Å; V83-F104 HydrophobicContact CB-CE2 4.18Å; V83-F104 HydrophobicContact CG1-CD2 3.88Å; V83-F104 HydrophobicContact CG1-CE2 4.25Å; V83-F104 HydrophobicContact CG2-CB 4.06Å; V83-F104 HydrophobicContact CG2-CD1 4.43Å; V83-F104 HydrophobicContact CG2-CD2 3.65Å; V83-F104 HydrophobicContact CG2-CE2 4.14Å; V83-F104 HydrophobicContact CG2-CG 3.8Å; K87-F104 VanDerWaalsContact O-CD2 3.23Å; K87-F104 WeakPolarHBondContact O-CD2 3.22Å; K87-F104 WeakPolarHBondContact O-CE2 3.47Å; H88-F104 PolarHBondContact O-N 3.3Å; F104-T431 VanDerWaalsContact O-CA 3.27Å; F104-T431 WeakPolarHBondContact O-CA 3.21Å; F104-T431 PolarHBondContact O-OG1 3.33Å; F104-N434 PolarHBondContact O-ND2 3.45Å
105H96.8Very high94.4Very high21 Ų2126.5 Ų26.510%0.09713%0.129CC..SBendtrans-111.8138.1168.6-172.2-87.6000110.8H88 D107 Y108 V109 E436H88-H105 HydrophobicContact CB-CB 4.11Å; H88-H105 AromaticContact CD2-CD2 3.62Å; H88-H105 AromaticContact CD2-CG 3.5Å; H88-H105 VanDerWaalsContact CD2-CG 3.5Å; H88-H105 PolarHBondContact O-N 3.23Å; H105-D107 VanDerWaalsContact C-N 3.26Å; H105-D107 IonicContact CE1-OD2 3.56Å; H105-D107 PolarHBondContact CE1-OD2 3.26Å; H105-D107 VanDerWaalsContact CE1-OD2 3.31Å; H105-D107 PolarHBondContact ND1-N 2.81Å; H105-D107 IonicContact ND1-OD2 2.74Å; H105-D107 PolarHBondContact O-N 3.43Å; H105-D107 VanDerWaalsContact O-N 3.14Å; H105-Y108 HydrophobicContact CB-CD2 4.02Å; H105-Y108 PolarHBondContact O-N 3.4Å; H105-V109 WeakPolarHBondContact O-CG2 3.19Å; H105-V109 PolarHBondContact O-N 2.89Å; H105-E436 IonicContact CD2-OE2 3.05Å; H105-E436 IonicContact NE2-OE2 3.72Å
106P96.4Very high94.8Very high0 Ų029.3 Ų29.30%015%0.148CC..Hα-helixtrans-51.1-41-173.9-33.239.8000114.7Y108 V109 K110 T431 V437 S458 H460P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 3.37Å; P106-V109 PolarHBondContact O-N 3.03Å; P106-K110 VanDerWaalsContact O-CB 3.29Å; P106-K110 WeakPolarHBondContact O-CB 3.22Å; P106-K110 PolarHBondContact O-N 3.47Å; P106-T431 HydrophobicContact CG-CG2 3.96Å; P106-V437 VanDerWaalsContact CD-CG2 3.47Å; P106-V437 HydrophobicContact CG-CG1 4.13Å; P106-V437 HydrophobicContact CG-CG2 3.68Å; P106-S458 VanDerWaalsContact CB-OG 3.25Å; P106-S458 WeakPolarHBondContact CB-OG 3.49Å; P106-H460 HydrophobicContact CB-CB 4.13Å
107D95.4Very high95.1Very high80 Ų8029 Ų2943%0.42815%0.148SC..Hα-helixtrans-69.7-25.5-177.1-60.9-20.4000113.1H105 P111 P413H105-D107 VanDerWaalsContact C-N 3.26Å; H105-D107 IonicContact CE1-OD2 3.56Å; H105-D107 PolarHBondContact CE1-OD2 3.26Å; H105-D107 VanDerWaalsContact CE1-OD2 3.31Å; H105-D107 PolarHBondContact ND1-N 2.81Å; H105-D107 IonicContact ND1-OD2 2.74Å; H105-D107 PolarHBondContact O-N 3.43Å; H105-D107 VanDerWaalsContact O-N 3.14Å; D107-P111 WeakPolarHBondContact O-CD 3.46Å; D107-P413 HydrophobicContact CB-CG 4.36Å
108Y96Very high95.2Very high28 Ų2832 Ų3211%0.1117%0.165CC..Hα-helixtrans-87.9-35.1174.9-68.8-99.1000110.9H88 H105 P106 L112 L412 P413 L416H88-Y108 HydrophobicContact CB-CD2 3.67Å; H88-Y108 HydrophobicContact CB-CE1 4.39Å; H88-Y108 HydrophobicContact CB-CE2 3.49Å; H88-Y108 VanDerWaalsContact CB-CE2 3.49Å; H88-Y108 HydrophobicContact CB-CG 4.19Å; H88-Y108 AromaticContact CG-CE2 3.48Å; H88-Y108 VanDerWaalsContact CG-CE2 3.48Å; H88-Y108 AromaticContact ND1-CE2 3.78Å; H105-Y108 HydrophobicContact CB-CD2 4.02Å; H105-Y108 PolarHBondContact O-N 3.4Å; P106-Y108 VanDerWaalsContact C-N 3.26Å; P106-Y108 PolarHBondContact O-N 3.37Å; Y108-L112 WeakPolarHBondContact O-CD1 3.45Å; Y108-L412 HydrophobicContact CD1-CB 3.97Å; Y108-L412 HydrophobicContact CD1-CD1 4.05Å; Y108-L412 HydrophobicContact CE1-CB 4.32Å; Y108-L412 WeakPolarHBondContact O-CD2 3.4Å; Y108-P413 HydrophobicContact CE1-CB 4.11Å; Y108-P413 HydrophobicContact CE1-CG 4.37Å; Y108-P413 VanDerWaalsContact CE1-O 3.23Å; Y108-P413 WeakPolarHBondContact CE1-O 3.32Å; Y108-P413 HydrophobicContact CE2-CB 4.27Å; Y108-P413 HydrophobicContact CE2-CG 4.41Å; Y108-P413 PolarHBondContact OH-O 3.09Å; Y108-L416 HydrophobicContact CD1-CD1 4.4Å; Y108-L416 HydrophobicContact CE1-CD1 3.68Å; Y108-L416 HydrophobicContact CE1-CG 4.47Å
109V96.9Very high95.3Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-68.8-38.9177.8171.70000111.9V103 H105 P106 L112 L113 V426 I463V103-V109 HydrophobicContact CB-CG2 4.27Å; V103-V109 HydrophobicContact CG2-CG2 3.89Å; H105-V109 WeakPolarHBondContact O-CG2 3.19Å; H105-V109 PolarHBondContact O-N 2.89Å; P106-V109 PolarHBondContact O-N 3.03Å; V109-L112 WeakPolarHBondContact O-CB 3.15Å; V109-L112 PolarHBondContact O-N 2.97Å; V109-L113 HydrophobicContact CG1-CD1 3.44Å; V109-L113 VanDerWaalsContact CG1-CD1 3.44Å; V109-L113 HydrophobicContact CG1-CG 3.8Å; V109-L113 PolarHBondContact O-N 3.12Å; V109-V426 HydrophobicContact CB-CG1 4.42Å; V109-V426 HydrophobicContact CG1-CG1 3.57Å; V109-V426 HydrophobicContact CG2-CG1 4.03Å; V109-I463 HydrophobicContact CG1-CD1 3.66Å
110K95.9Very high95.3Very high95 Ų9530.2 Ų30.241%0.41316%0.16SC..Hα-helixtrans-58.4-53.5-173.9172.9177.9-179.2-178.20113.2P106 L112 L113 M114 H460P106-K110 VanDerWaalsContact O-CB 3.29Å; P106-K110 WeakPolarHBondContact O-CB 3.22Å; P106-K110 PolarHBondContact O-N 3.47Å; K110-L112 PolarHBondContact O-N 2.74Å; K110-L113 PolarHBondContact O-N 3.28Å; K110-M114 HydrophobicContact CG-CG 4.08Å; K110-M114 WeakPolarHBondContact O-CB 3.05Å; K110-M114 VanDerWaalsContact O-CG 3.24Å; K110-M114 WeakPolarHBondContact O-CG 3.48Å; K110-M114 PolarHBondContact O-N 2.9Å; K110-H460 HydrophobicContact CB-CB 4.19Å
111P95.3Very high95.3Very high47 Ų4732.1 Ų32.131%0.30517%0.17SC..Hα-helixtrans-55.6-37178.2-25.733.5000113.1D107 A115 L412D107-P111 WeakPolarHBondContact O-CD 3.46Å; P111-A115 PolarHBondContact O-N 3.22Å; P111-A115 VanDerWaalsContact O-N 3.14Å; P111-L412 HydrophobicContact CB-CD2 4.23Å; P111-L412 HydrophobicContact CG-CD2 4.4Å
112L95.9Very high95.2Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-72.6-44.1-177.2-67.5168.4000112.6V103 Y108 V109 K110 A115 Y406 V410 L412 V418 C424V103-L112 HydrophobicContact CB-CD1 4.27Å; V103-L112 HydrophobicContact CG1-CD1 3.78Å; V103-L112 HydrophobicContact CG2-CD1 3.64Å; Y108-L112 WeakPolarHBondContact O-CD1 3.45Å; V109-L112 WeakPolarHBondContact O-CB 3.15Å; V109-L112 PolarHBondContact O-N 2.97Å; K110-L112 PolarHBondContact O-N 2.74Å; L112-A115 WeakPolarHBondContact O-CB 3.46Å; L112-Y406 VanDerWaalsContact CA-OH 3.31Å; L112-Y406 WeakPolarHBondContact CA-OH 3.32Å; L112-Y406 VanDerWaalsContact CB-OH 3.24Å; L112-Y406 WeakPolarHBondContact CB-OH 3.46Å; L112-Y406 HydrophobicContact CD2-CD2 4.31Å; L112-Y406 HydrophobicContact CD2-CE2 3.49Å; L112-Y406 VanDerWaalsContact CD2-CE2 3.49Å; L112-Y406 PolarHBondContact O-OH 2.99Å; L112-V410 HydrophobicContact CD2-CB 4.27Å; L112-V410 HydrophobicContact CD2-CG1 3.91Å; L112-L412 HydrophobicContact CD1-CD1 4.44Å; L112-L412 HydrophobicContact CD1-CD2 3.97Å; L112-L412 HydrophobicContact CD2-CD2 4.12Å; L112-L412 HydrophobicContact CG-CD2 3.77Å; L112-V418 HydrophobicContact CD2-CG2 4.03Å; L112-C424 WeakPolarHBondContact CD1-SG 3.38Å
113L95.8Very high95Very high3 Ų331.7 Ų31.72%0.01617%0.169CC..Hα-helixtrans-75.4-33178.3-66.8-174.2000112.5V109 K110 A115 V426 I463 G468 P469V109-L113 HydrophobicContact CG1-CD1 3.44Å; V109-L113 VanDerWaalsContact CG1-CD1 3.44Å; V109-L113 HydrophobicContact CG1-CG 3.8Å; V109-L113 PolarHBondContact O-N 3.12Å; K110-L113 PolarHBondContact O-N 3.28Å; L113-A115 VanDerWaalsContact C-N 3.3Å; L113-V426 HydrophobicContact CD1-CG1 4.3Å; L113-V426 HydrophobicContact CD2-CG1 4.3Å; L113-V426 HydrophobicContact CD2-CG2 4.05Å; L113-V426 HydrophobicContact CG-CG1 4.42Å; L113-I463 HydrophobicContact CD1-CD1 4.05Å; L113-G468 WeakPolarHBondContact O-CA 3.43Å; L113-P469 WeakPolarHBondContact O-CD 3.37Å
114M95.8Very high94.7Very high98 Ų9836.7 Ų36.748%0.48319%0.192SC..Hα-helixtrans-81.4-8.1179.6-67.4-60.2-56.900113.7K110K110-M114 HydrophobicContact CG-CG 4.08Å; K110-M114 WeakPolarHBondContact O-CB 3.05Å; K110-M114 VanDerWaalsContact O-CG 3.24Å; K110-M114 WeakPolarHBondContact O-CG 3.48Å; K110-M114 PolarHBondContact O-N 2.9Å
115A94.7Very high94.4Very high12 Ų1237.5 Ų37.510%0.09920%0.196CC..SBendtrans-52.9139.9174.900000111.6P111 L112 L113 I119 Y406P111-A115 PolarHBondContact O-N 3.22Å; P111-A115 VanDerWaalsContact O-N 3.14Å; L112-A115 WeakPolarHBondContact O-CB 3.46Å; L113-A115 VanDerWaalsContact C-N 3.3Å; A115-I119 HydrophobicContact CB-CD1 4.14Å; A115-I119 HydrophobicContact CB-CG1 4.22Å; A115-Y406 HydrophobicContact CB-CD1 4.29Å; A115-Y406 HydrophobicContact CB-CE1 3.7Å
116S93.6Very high94.1Very high63 Ų6337.4 Ų37.444%0.44120%0.197SC..  trans-56140.3179.7174.30000111.5N118 I119 T120S116-N118 PolarHBondContact O-N 3.12Å; S116-N118 PolarHBondContact OG-N 3.38Å; S116-I119 VanDerWaalsContact O-CG1 3.25Å; S116-I119 WeakPolarHBondContact O-CG1 3.39Å; S116-I119 PolarHBondContact O-N 3.38Å; S116-T120 WeakPolarHBondContact O-CG2 3.19Å; S116-T120 PolarHBondContact O-N 3.46Å
117A91.4Very high94Very high9 Ų938.2 Ų38.27%0.07420%0.2CC..THydrogen-bonded Turntrans-55.4-22.8177.700000114I119 W146 P469A117-I119 VanDerWaalsContact C-N 3.3Å; A117-W146 HydrophobicContact CB-CE3 3.61Å; A117-W146 HydrophobicContact CB-CH2 3.98Å; A117-W146 HydrophobicContact CB-CZ3 3.17Å; A117-P469 HydrophobicContact CB-CB 4.06Å
118N90.6Very high94Very high109 Ų10935 Ų3558%0.58319%0.185SC*.THydrogen-bonded Turntrans-71.8-25177.1-65.3-5.2000112.8S116 M121S116-N118 PolarHBondContact O-N 3.12Å; S116-N118 PolarHBondContact OG-N 3.38Å; N118-M121 WeakPolarHBondContact O-CE 3.49Å
119I93.3Very high93.9Very high35 Ų3534.3 Ų34.318%0.17918%0.183CC..THydrogen-bonded Turntrans-109.5-21.9-179.767.6167.8000113.3A115 S116 A117 Y406 T407 Q408A115-I119 HydrophobicContact CB-CD1 4.14Å; A115-I119 HydrophobicContact CB-CG1 4.22Å; S116-I119 VanDerWaalsContact O-CG1 3.25Å; S116-I119 WeakPolarHBondContact O-CG1 3.39Å; S116-I119 PolarHBondContact O-N 3.38Å; A117-I119 VanDerWaalsContact C-N 3.3Å; I119-Y406 WeakPolarHBondContact O-CA 3.32Å; I119-T407 VanDerWaalsContact CA-OG1 3.31Å; I119-T407 WeakPolarHBondContact CA-OG1 3.27Å; I119-T407 WeakPolarHBondContact CB-OG1 3.26Å; I119-T407 PolarHBondContact O-N 3.09Å; I119-Q408 HydrophobicContact CD1-CG 4.33Å; I119-Q408 HydrophobicContact CG2-CG 4.44Å
120T94.1Very high93.8Very high1 Ų134.8 Ų34.81%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-89.5118176.4179.10000112S116 R404 R470S116-T120 WeakPolarHBondContact O-CG2 3.19Å; S116-T120 PolarHBondContact O-N 3.46Å; T120-R404 WeakPolarHBondContact OG1-CD 3.21Å; T120-R470 HydrophobicContact CG2-CG 3.95Å
121M95.1Very high93.8Very high44 Ų4434.6 Ų34.622%0.21718%0.182CC..EExtended strand (participates in β ladder)trans-112.4149.5177.9-54.2-57.8-178.800111.3N118 N142 R404 K405 T407N118-M121 WeakPolarHBondContact O-CE 3.49Å; M121-N142 WeakPolarHBondContact CA-OD1 3.46Å; M121-N142 HydrophobicContact SD-CB 3.53Å; M121-N142 VanDerWaalsContact SD-CB 3.53Å; M121-R404 CarbonylContact O-C 3.5Å; M121-R404 VanDerWaalsContact O-CA 3.31Å; M121-R404 WeakPolarHBondContact O-CA 3.24Å; M121-K405 WeakPolarHBondContact CA-O 3.38Å; M121-K405 WeakPolarHBondContact CB-O 3.3Å; M121-K405 PolarHBondContact N-O 3.49Å; M121-K405 PolarHBondContact O-N 3.11Å; M121-T407 HydrophobicContact CE-CG2 3.57Å; M121-T407 HydrophobicContact CG-CG2 3.93Å
122K95.4Very high93.8Very high15 Ų1534.5 Ų34.57%0.06518%0.182CC..  trans-71.4134.4159.6-62.9-53.6-158.8170.40109.1Y127 L139 N142K122-Y127 HydrophobicContact CB-CD1 4.41Å; K122-Y127 HydrophobicContact CB-CD2 3.69Å; K122-Y127 HydrophobicContact CB-CE2 4.19Å; K122-Y127 HydrophobicContact CB-CG 3.82Å; K122-Y127 HydrophobicContact CD-CD1 4.32Å; K122-Y127 HydrophobicContact CD-CD2 4Å; K122-Y127 HydrophobicContact CD-CE1 3.98Å; K122-Y127 HydrophobicContact CD-CE2 3.6Å; K122-Y127 HydrophobicContact CD-CG 4.34Å; K122-Y127 HydrophobicContact CG-CD1 4.38Å; K122-Y127 HydrophobicContact CG-CD2 4.25Å; K122-Y127 HydrophobicContact CG-CE1 4.5Å; K122-Y127 HydrophobicContact CG-CE2 4.35Å; K122-Y127 HydrophobicContact CG-CG 4.26Å; K122-Y127 PolarHBondContact NZ-OH 3.28Å; K122-L139 WeakPolarHBondContact CE-O 2.9Å; K122-L139 WeakPolarHBondContact CG-O 3.46Å; K122-N142 PolarHBondContact N-ND2 3.48Å; K122-N142 PolarHBondContact N-OD1 3.41Å; K122-N142 PolarHBondContact O-ND2 3.16Å
123D93.5Very high93.8Very high4 Ų434.5 Ų34.52%0.02118%0.182CC..  trans-80.7153.5-18067.4100.8000112.4F125 V126 Y127 T403 K405 I423D123-F125 VanDerWaalsContact C-N 3.32Å; D123-F125 PolarHBondContact O-N 2.76Å; D123-F125 WeakPolarHBondContact OD1-CA 3.48Å; D123-F125 WeakPolarHBondContact OD1-CB 3.44Å; D123-F125 PolarHBondContact OD1-N 3.31Å; D123-F125 VanDerWaalsContact OD1-N 3.08Å; D123-V126 PolarHBondContact OD1-N 3.5Å; D123-Y127 VanDerWaalsContact O-CB 3.31Å; D123-Y127 WeakPolarHBondContact O-CB 3.5Å; D123-Y127 PolarHBondContact O-N 2.97Å; D123-Y127 VanDerWaalsContact O-N 3.1Å; D123-Y127 WeakPolarHBondContact OD2-CD2 3.27Å; D123-T403 WeakPolarHBondContact OD2-CB 3.14Å; D123-T403 PolarHBondContact OD2-OG1 3.48Å; D123-K405 HydrophobicContact CB-CB 4.31Å; D123-I423 HydrophobicContact CB-CG1 4.28Å; D123-I423 HydrophobicContact CB-CG2 4.36Å
124E90.9Very high93.9Very high104 Ų10434.3 Ų34.349%0.48618%0.181SC..Hα-helixtrans-74.5-21177.8-64.7-61.5126.900113.3G128 R131E124-G128 VanDerWaalsContact O-CA 3.23Å; E124-G128 WeakPolarHBondContact O-CA 3.48Å; E124-G128 PolarHBondContact O-N 3.09Å; E124-R131 IonicContact OE1-CZ 2.76Å; E124-R131 IonicContact OE1-NH1 2.67Å; E124-R131 IonicContact OE1-NH2 3.53Å; E124-R131 PolarHBondContact OE1-NH2 2.9Å; E124-R131 IonicContact OE2-CZ 3.43Å; E124-R131 VanDerWaalsContact OE2-CZ 3.27Å; E124-R131 IonicContact OE2-NH1 3.74Å; E124-R131 PolarHBondContact OE2-NH1 3.46Å; E124-R131 IonicContact OE2-NH2 3.68Å; E124-R131 PolarHBondContact OE2-NH2 2.94Å
125F89.1Confident93.9Very high19 Ų1930.8 Ų30.88%0.08317%0.169CC..Hα-helixtrans-68-41.4-176.1173.8-101000111.8F94 Y98 D123 H129 I423F94-F125 HydrophobicContact CD2-CE1 4.38Å; F94-F125 HydrophobicContact CD2-CE2 4.39Å; F94-F125 AromaticContact CD2-CZ 3.85Å; F94-F125 HydrophobicContact CD2-CZ 3.85Å; F94-F125 HydrophobicContact CE2-CE1 4.13Å; F94-F125 AromaticContact CE2-CZ 3.94Å; F94-F125 HydrophobicContact CE2-CZ 3.94Å; Y98-F125 HydrophobicContact CD1-CB 4.26Å; Y98-F125 AromaticContact CD1-CD2 3.91Å; Y98-F125 HydrophobicContact CD1-CD2 3.91Å; Y98-F125 HydrophobicContact CD1-CG 4.32Å; Y98-F125 HydrophobicContact CD2-CD2 4.03Å; Y98-F125 HydrophobicContact CD2-CE2 4.08Å; Y98-F125 HydrophobicContact CE1-CB 4.1Å; Y98-F125 AromaticContact CE1-CD2 3.73Å; Y98-F125 HydrophobicContact CE1-CD2 3.73Å; Y98-F125 HydrophobicContact CE1-CG 4.31Å; Y98-F125 AromaticContact CE2-CD2 3.87Å; Y98-F125 HydrophobicContact CE2-CD2 3.87Å; Y98-F125 HydrophobicContact CE2-CE2 4.06Å; Y98-F125 HydrophobicContact CG-CD2 4.06Å; Y98-F125 HydrophobicContact CG-CE2 4.41Å; Y98-F125 AromaticContact CZ-CD2 3.72Å; D123-F125 VanDerWaalsContact C-N 3.32Å; D123-F125 PolarHBondContact O-N 2.76Å; D123-F125 WeakPolarHBondContact OD1-CA 3.48Å; D123-F125 WeakPolarHBondContact OD1-CB 3.44Å; D123-F125 PolarHBondContact OD1-N 3.31Å; D123-F125 VanDerWaalsContact OD1-N 3.08Å; F125-H129 PolarHBondContact O-CE1 3.23Å; F125-H129 PolarHBondContact O-ND1 2.92Å; F125-I423 HydrophobicContact CB-CD1 3.71Å; F125-I423 HydrophobicContact CD1-CD1 4.35Å; F125-I423 HydrophobicContact CG-CD1 4.14Å
126V90.8Very high93.9Very high20 Ų2037.5 Ų37.512%0.12119%0.192CC..Hα-helixtrans-95.4-52.9174.9-177.90000111.2D123 H129 T403D123-V126 PolarHBondContact OD1-N 3.5Å; V126-H129 PolarHBondContact O-N 3.38Å; V126-T403 HydrophobicContact CG2-CG2 3.97Å; V126-T403 WeakPolarHBondContact CG2-OG1 3.2Å
127Y94.7Very high94.1Very high17 Ų1734.5 Ų34.57%0.06717%0.171CC..Hα-helixtrans-81.3-19.5-169.7-62.3-88.9000113.2K122 D123 H129 L130 R131 L139 I140 T403K122-Y127 HydrophobicContact CB-CD1 4.41Å; K122-Y127 HydrophobicContact CB-CD2 3.69Å; K122-Y127 HydrophobicContact CB-CE2 4.19Å; K122-Y127 HydrophobicContact CB-CG 3.82Å; K122-Y127 HydrophobicContact CD-CD1 4.32Å; K122-Y127 HydrophobicContact CD-CD2 4Å; K122-Y127 HydrophobicContact CD-CE1 3.98Å; K122-Y127 HydrophobicContact CD-CE2 3.6Å; K122-Y127 HydrophobicContact CD-CG 4.34Å; K122-Y127 HydrophobicContact CG-CD1 4.38Å; K122-Y127 HydrophobicContact CG-CD2 4.25Å; K122-Y127 HydrophobicContact CG-CE1 4.5Å; K122-Y127 HydrophobicContact CG-CE2 4.35Å; K122-Y127 HydrophobicContact CG-CG 4.26Å; K122-Y127 PolarHBondContact NZ-OH 3.28Å; D123-Y127 VanDerWaalsContact O-CB 3.31Å; D123-Y127 WeakPolarHBondContact O-CB 3.5Å; D123-Y127 PolarHBondContact O-N 2.97Å; D123-Y127 VanDerWaalsContact O-N 3.1Å; D123-Y127 WeakPolarHBondContact OD2-CD2 3.27Å; Y127-H129 VanDerWaalsContact C-N 3.32Å; Y127-H129 PolarHBondContact O-N 2.82Å; Y127-L130 HydrophobicContact CD1-CD1 4.05Å; Y127-L130 HydrophobicContact CE1-CD1 4.49Å; Y127-L130 PolarHBondContact O-N 2.75Å; Y127-R131 PolarHBondContact O-N 2.73Å; Y127-R131 VanDerWaalsContact O-N 3.15Å; Y127-L139 HydrophobicContact CE1-CD1 4.28Å; Y127-L139 HydrophobicContact CE1-CG 4.3Å; Y127-I140 HydrophobicContact CD1-CG1 4.29Å; Y127-T403 WeakPolarHBondContact CE2-OG1 3.06Å
128G94.1Very high94.3Very high12 Ų1234.7 Ų34.712%0.12417%0.171CC..Hα-helixtrans-62.4-39.3171.800000111.9E124 L130 R131 P132E124-G128 VanDerWaalsContact O-CA 3.23Å; E124-G128 WeakPolarHBondContact O-CA 3.48Å; E124-G128 PolarHBondContact O-N 3.09Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 2.92Å; G128-R131 WeakPolarHBondContact O-CB 3.46Å; G128-R131 PolarHBondContact O-N 3.39Å; G128-P132 WeakPolarHBondContact O-CD 3.39Å
129H93.9Very high94.5Very high13 Ų1332.1 Ų32.16%0.0616%0.157CC..Hα-helixtrans-70.7-24.2176.5-57.7141000113.7F125 V126 Y127 P132 L234 R237 Q244F125-H129 PolarHBondContact O-CE1 3.23Å; F125-H129 PolarHBondContact O-ND1 2.92Å; V126-H129 PolarHBondContact O-N 3.38Å; Y127-H129 VanDerWaalsContact C-N 3.32Å; Y127-H129 PolarHBondContact O-N 2.82Å; H129-P132 WeakPolarHBondContact O-CD 3.3Å; H129-L234 HydrophobicContact CB-CD2 3.75Å; H129-L234 WeakPolarHBondContact O-CD2 3.44Å; H129-R237 PolarHBondContact CD2-NH2 2.72Å; H129-Q244 PolarHBondContact CE1-OE1 3Å
130L95.4Very high94.7Very high11 Ų1130.7 Ų30.76%0.05815%0.149CC..Hα-helixtrans-81-21.9174.6-70.7168.3000112.6Y127 G128 W133 L134 I140 L234 L516Y127-L130 HydrophobicContact CD1-CD1 4.05Å; Y127-L130 HydrophobicContact CE1-CD1 4.49Å; Y127-L130 PolarHBondContact O-N 2.75Å; G128-L130 VanDerWaalsContact C-N 3.3Å; G128-L130 PolarHBondContact O-N 2.92Å; L130-W133 HydrophobicContact CD2-CE3 4.02Å; L130-W133 HydrophobicContact CD2-CZ3 4.31Å; L130-W133 WeakPolarHBondContact O-CB 3.32Å; L130-W133 PolarHBondContact O-N 2.63Å; L130-L134 HydrophobicContact CB-CD1 4.39Å; L130-L134 HydrophobicContact CD2-CD1 4.42Å; L130-L134 PolarHBondContact O-N 3.15Å; L130-I140 HydrophobicContact CB-CD1 3.74Å; L130-L234 HydrophobicContact CD2-CD1 3.56Å; L130-L516 HydrophobicContact CD2-CD1 4.16Å; L130-L516 HydrophobicContact CD2-CD2 4.48Å
131R95.9Very high94.7Very high90 Ų9030.8 Ų30.834%0.3415%0.15SC..Hα-helixtrans-57.5-40.5-175.3-173.5180-65.6147.35.4114.3E124 Y127 G128 W133 G135 I140E124-R131 IonicContact OE1-CZ 2.76Å; E124-R131 IonicContact OE1-NH1 2.67Å; E124-R131 IonicContact OE1-NH2 3.53Å; E124-R131 PolarHBondContact OE1-NH2 2.9Å; E124-R131 IonicContact OE2-CZ 3.43Å; E124-R131 VanDerWaalsContact OE2-CZ 3.27Å; E124-R131 IonicContact OE2-NH1 3.74Å; E124-R131 PolarHBondContact OE2-NH1 3.46Å; E124-R131 IonicContact OE2-NH2 3.68Å; E124-R131 PolarHBondContact OE2-NH2 2.94Å; Y127-R131 PolarHBondContact O-N 2.73Å; Y127-R131 VanDerWaalsContact O-N 3.15Å; G128-R131 WeakPolarHBondContact O-CB 3.46Å; G128-R131 PolarHBondContact O-N 3.39Å; R131-W133 PolarHBondContact O-N 2.89Å; R131-G135 VanDerWaalsContact O-CA 3.24Å; R131-G135 WeakPolarHBondContact O-CA 3.38Å; R131-G135 PolarHBondContact O-N 2.94Å; R131-I140 HydrophobicContact CB-CD1 4.48Å
132P96.1Very high94.8Very high45 Ų4530.5 Ų30.529%0.29215%0.149SC..Hα-helixtrans-61.2-26.5175.4-24.735.3000113.6G128 H129 W250 F258 L262 H266G128-P132 WeakPolarHBondContact O-CD 3.39Å; H129-P132 WeakPolarHBondContact O-CD 3.3Å; P132-W250 HydrophobicContact CB-CH2 4.41Å; P132-W250 HydrophobicContact CG-CH2 4.26Å; P132-W250 HydrophobicContact CG-CZ2 4.02Å; P132-F258 HydrophobicContact CB-CE1 4.31Å; P132-L262 HydrophobicContact CB-CD1 4.05Å; P132-H266 PolarHBondContact O-CE1 3.08Å
133W96.4Very high94.7Very high0 Ų030.5 Ų30.50%015%0.154CC..Hα-helixtrans-86.5-54.9176.8177.917.6000111.9L130 R131 I227 L230 L234 L262 V265 H266 N327 F331 L516L130-W133 HydrophobicContact CD2-CE3 4.02Å; L130-W133 HydrophobicContact CD2-CZ3 4.31Å; L130-W133 WeakPolarHBondContact O-CB 3.32Å; L130-W133 PolarHBondContact O-N 2.63Å; R131-W133 PolarHBondContact O-N 2.89Å; W133-I227 HydrophobicContact CH2-CG2 4.26Å; W133-I227 HydrophobicContact CZ2-CD1 4.2Å; W133-I227 HydrophobicContact CZ2-CG1 3.97Å; W133-I227 HydrophobicContact CZ2-CG2 4.49Å; W133-L230 HydrophobicContact CD2-CD1 3.98Å; W133-L230 HydrophobicContact CE3-CD1 4.48Å; W133-L230 HydrophobicContact CG-CD1 4.16Å; W133-L230 HydrophobicContact CZ2-CD1 4.34Å; W133-L234 HydrophobicContact CE3-CD1 4.1Å; W133-L234 HydrophobicContact CZ3-CD1 4.27Å; W133-L262 VanDerWaalsContact CA-CD2 3.45Å; W133-L262 HydrophobicContact CB-CD2 3.54Å; W133-L262 HydrophobicContact CG-CD2 3.97Å; W133-V265 VanDerWaalsContact NE1-CG1 3.29Å; W133-H266 PolarHBondContact O-NE2 3.11Å; W133-N327 PolarHBondContact O-ND2 3.07Å; W133-F331 HydrophobicContact CH2-CB 4.05Å; W133-F331 AromaticContact CH2-CD1 3.86Å; W133-F331 HydrophobicContact CH2-CD1 3.86Å; W133-F331 AromaticContact CH2-CD2 3.25Å; W133-F331 HydrophobicContact CH2-CD2 3.25Å; W133-F331 HydrophobicContact CH2-CE1 4.12Å; W133-F331 AromaticContact CH2-CE2 3.54Å; W133-F331 HydrophobicContact CH2-CE2 3.54Å; W133-F331 AromaticContact CH2-CG 3.42Å; W133-F331 HydrophobicContact CH2-CG 3.42Å; W133-F331 VanDerWaalsContact CH2-CG 3.42Å; W133-F331 AromaticContact CH2-CZ 3.97Å; W133-F331 HydrophobicContact CH2-CZ 3.97Å; W133-F331 HydrophobicContact CZ2-CB 3.66Å; W133-F331 HydrophobicContact CZ2-CD1 4.26Å; W133-F331 AromaticContact CZ2-CD2 3.7Å; W133-F331 HydrophobicContact CZ2-CD2 3.7Å; W133-F331 HydrophobicContact CZ2-CE2 4.42Å; W133-F331 AromaticContact CZ2-CG 3.59Å; W133-F331 HydrophobicContact CZ2-CG 3.59Å; W133-F331 HydrophobicContact CZ3-CD1 4.28Å; W133-F331 HydrophobicContact CZ3-CD2 4.26Å; W133-F331 HydrophobicContact CZ3-CE1 4.26Å; W133-F331 HydrophobicContact CZ3-CE2 4.23Å; W133-F331 HydrophobicContact CZ3-CG 4.27Å; W133-F331 HydrophobicContact CZ3-CZ 4.23Å; W133-L516 HydrophobicContact CH2-CD1 4.45Å; W133-L516 HydrophobicContact CZ3-CD1 3.7Å
134L96.6Very high94.7Very high0 Ų038.5 Ų38.50%019%0.191CC..Hα-helixtrans-98.4-4.1-166-58.5-174.3000113.5L130 S137 L139 I140 A324 N327 T328 F331L130-L134 HydrophobicContact CB-CD1 4.39Å; L130-L134 HydrophobicContact CD2-CD1 4.42Å; L130-L134 PolarHBondContact O-N 3.15Å; L134-S137 WeakPolarHBondContact O-CB 3.17Å; L134-S137 PolarHBondContact O-OG 3.3Å; L134-L139 HydrophobicContact CD1-CD2 3.76Å; L134-I140 HydrophobicContact CB-CD1 3.76Å; L134-I140 HydrophobicContact CD1-CD1 4.45Å; L134-A324 WeakPolarHBondContact O-CA 3.42Å; L134-A324 VanDerWaalsContact O-CB 3.32Å; L134-A324 WeakPolarHBondContact O-CB 3.36Å; L134-N327 HydrophobicContact CD2-CB 4.24Å; L134-T328 PolarHBondContact O-OG1 3.05Å; L134-F331 HydrophobicContact CD1-CD1 4.25Å; L134-F331 HydrophobicContact CD2-CB 4.48Å; L134-F331 HydrophobicContact CD2-CD1 4.46Å
135G95.8Very high94.8Very high23 Ų2335.6 Ų35.624%0.23718%0.178CC..  trans62.1-158-175.600000112.7R131 S137 I140R131-G135 VanDerWaalsContact O-CA 3.24Å; R131-G135 WeakPolarHBondContact O-CA 3.38Å; R131-G135 PolarHBondContact O-N 2.94Å; G135-S137 PolarHBondContact O-N 3.37Å; G135-I140 WeakPolarHBondContact O-CD1 3.35Å
136R95.3Very high95.1Very high153 Ų15335.4 Ų35.458%0.57718%0.177SC*.SBendtrans-90.555.6171.7-62.6175.768.5138.40.2110.2E145 K149R136-E145 VanDerWaalsContact CB-OE1 3.27Å; R136-E145 WeakPolarHBondContact CB-OE1 3.25Å; R136-E145 IonicContact CZ-OE2 2.7Å; R136-E145 VanDerWaalsContact CZ-OE2 3.24Å; R136-E145 IonicContact NE-OE1 3.53Å; R136-E145 PolarHBondContact NE-OE1 3.1Å; R136-E145 IonicContact NE-OE2 3.14Å; R136-E145 PolarHBondContact NE-OE2 3.13Å; R136-E145 IonicContact NH2-OE2 2.87Å; R136-E145 PolarHBondContact NH2-OE2 2.8Å; R136-K149 PolarHBondContact O-NZ 2.91Å
137S96.5Very high95.2Very high0 Ų037 Ų370%019%0.188CC..  trans-74.9-178.9-179.565.10000113.4L134 G135 L139 I140 S141 A324 E325 T328L134-S137 WeakPolarHBondContact O-CB 3.17Å; L134-S137 PolarHBondContact O-OG 3.3Å; G135-S137 PolarHBondContact O-N 3.37Å; S137-L139 PolarHBondContact O-N 3.44Å; S137-L139 VanDerWaalsContact O-N 3.11Å; S137-L139 PolarHBondContact OG-N 2.74Å; S137-I140 PolarHBondContact O-N 3.47Å; S137-S141 WeakPolarHBondContact O-CB 3.24Å; S137-S141 PolarHBondContact O-N 3.34Å; S137-S141 PolarHBondContact O-OG 3.02Å; S137-A324 WeakPolarHBondContact CB-O 3.49Å; S137-E325 VanDerWaalsContact C-OE1 3.28Å; S137-E325 VanDerWaalsContact CA-OE1 3.24Å; S137-E325 WeakPolarHBondContact CA-OE1 3.29Å; S137-T328 WeakPolarHBondContact CB-OG1 3.45Å; S137-T328 WeakPolarHBondContact OG-CG2 3.26Å; S137-T328 PolarHBondContact OG-OG1 3.49Å
138L96.1Very high95.2Very high13 Ų1338.9 Ų38.97%0.06820%0.195CC..THydrogen-bonded Turntrans-52.1-32.8173.7-173.271.1000113.4K149 R150 L153 E325 F329 I473L138-K149 HydrophobicContact CD1-CB 4.02Å; L138-R150 VanDerWaalsContact CD1-CA 3.49Å; L138-R150 HydrophobicContact CD1-CB 3.74Å; L138-R150 HydrophobicContact CD1-CG 4.49Å; L138-L153 HydrophobicContact CB-CD1 4.34Å; L138-L153 HydrophobicContact CD2-CD1 4.3Å; L138-E325 WeakPolarHBondContact CB-OE2 3.47Å; L138-E325 VanDerWaalsContact N-CD 3.3Å; L138-E325 PolarHBondContact N-OE1 2.96Å; L138-E325 PolarHBondContact N-OE2 3Å; L138-F329 HydrophobicContact CB-CE2 4.31Å; L138-F329 HydrophobicContact CD2-CE2 4.09Å; L138-F329 HydrophobicContact CD2-CZ 3.7Å; L138-I473 HydrophobicContact CD2-CB 4.48Å; L138-I473 HydrophobicContact CD2-CD1 3.87Å; L138-I473 HydrophobicContact CD2-CG2 4.1Å
139L96.3Very high95.2Very high56 Ų5638.4 Ų38.429%0.29319%0.19SC..THydrogen-bonded Turntrans-71.7-37.1179.8-179.662.5000112.2K122 Y127 L134 S137 T328K122-L139 WeakPolarHBondContact CE-O 2.9Å; K122-L139 WeakPolarHBondContact CG-O 3.46Å; Y127-L139 HydrophobicContact CE1-CD1 4.28Å; Y127-L139 HydrophobicContact CE1-CG 4.3Å; L134-L139 HydrophobicContact CD1-CD2 3.76Å; S137-L139 PolarHBondContact O-N 3.44Å; S137-L139 VanDerWaalsContact O-N 3.11Å; S137-L139 PolarHBondContact OG-N 2.74Å; L139-T328 HydrophobicContact CB-CG2 3.63Å; L139-T328 HydrophobicContact CD2-CG2 4.44Å
140I96.1Very high95.2Very high4 Ų439.9 Ų39.92%0.02120%0.195CC..THydrogen-bonded Turntrans-104.3-35.2-168.4-64.4-176.9000112.6Y127 L130 R131 L134 G135 S137Y127-I140 HydrophobicContact CD1-CG1 4.29Å; L130-I140 HydrophobicContact CB-CD1 3.74Å; R131-I140 HydrophobicContact CB-CD1 4.48Å; L134-I140 HydrophobicContact CB-CD1 3.76Å; L134-I140 HydrophobicContact CD1-CD1 4.45Å; G135-I140 WeakPolarHBondContact O-CD1 3.35Å; S137-I140 PolarHBondContact O-N 3.47Å
141S95.6Very high95Very high3 Ų345.2 Ų45.22%0.02121%0.214CC..  trans-57.8159.418057.20000111.9S137 W146 R470S137-S141 WeakPolarHBondContact O-CB 3.24Å; S137-S141 PolarHBondContact O-N 3.34Å; S137-S141 PolarHBondContact O-OG 3.02Å; S141-W146 WeakPolarHBondContact OG-CA 3.49Å; S141-R470 PolarHBondContact O-NH1 3.26Å; S141-R470 PolarHBondContact O-NH2 2.8Å
142N95.4Very high94.8Very high38 Ų3841.7 Ų41.720%0.20320%0.202CC..  trans-139.9163.2-173.1-79.2-36.2000110.4M121 K122 W146 R470M121-N142 WeakPolarHBondContact CA-OD1 3.46Å; M121-N142 HydrophobicContact SD-CB 3.53Å; M121-N142 VanDerWaalsContact SD-CB 3.53Å; K122-N142 PolarHBondContact N-ND2 3.48Å; K122-N142 PolarHBondContact N-OD1 3.41Å; K122-N142 PolarHBondContact O-ND2 3.16Å; N142-W146 PolarHBondContact O-N 3.45Å; N142-R470 PolarHBondContact OD1-NH1 3.43Å; N142-R470 VanDerWaalsContact OD1-NH1 3.11Å
143G93.7Very high94.5Very high16 Ų1639.6 Ų39.617%0.16519%0.188CC..Hα-helixtrans57.3-139.6176.100000113.9E145 W146 S147G143-E145 VanDerWaalsContact C-N 3.34Å; G143-E145 PolarHBondContact O-N 3.39Å; G143-W146 PolarHBondContact O-N 3.49Å; G143-S147 PolarHBondContact O-N 2.66Å
144E93Very high94.3Very high171 Ų17142.6 Ų42.680%0.79921%0.207SC*.Hα-helixtrans-61.4-39-177.5-66.9178.217600113W146 S147 R148E144-W146 VanDerWaalsContact C-N 3.3Å; E144-W146 PolarHBondContact O-N 2.9Å; E144-S147 PolarHBondContact O-N 3.06Å; E144-S147 VanDerWaalsContact O-N 3.12Å; E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 PolarHBondContact O-N 3.02Å
145E93.4Very high93.9Very high43 Ų4345.9 Ų45.920%0.20123%0.228CC..Hα-helixtrans-57-46.4176.8-173.4-168.9166.200110.9R136 G143 K149R136-E145 VanDerWaalsContact CB-OE1 3.27Å; R136-E145 WeakPolarHBondContact CB-OE1 3.25Å; R136-E145 IonicContact CZ-OE2 2.7Å; R136-E145 VanDerWaalsContact CZ-OE2 3.24Å; R136-E145 IonicContact NE-OE1 3.53Å; R136-E145 PolarHBondContact NE-OE1 3.1Å; R136-E145 IonicContact NE-OE2 3.14Å; R136-E145 PolarHBondContact NE-OE2 3.13Å; R136-E145 IonicContact NH2-OE2 2.87Å; R136-E145 PolarHBondContact NH2-OE2 2.8Å; G143-E145 VanDerWaalsContact C-N 3.34Å; G143-E145 PolarHBondContact O-N 3.39Å; E145-K149 HydrophobicContact CG-CD 4.19Å; E145-K149 WeakPolarHBondContact O-CG 3.49Å; E145-K149 PolarHBondContact O-N 3.18Å; E145-K149 VanDerWaalsContact O-N 3.13Å; E145-K149 IonicContact OE1-NZ 3.41Å; E145-K149 PolarHBondContact OE1-NZ 2.72Å
146W95.8Very high93.4Very high16 Ų1644.9 Ų44.96%0.06122%0.218CC..Hα-helixtrans-64.6-43.7175.8171.578.5000112A117 S141 N142 G143 E144 K149 R150 P469 R470A117-W146 HydrophobicContact CB-CE3 3.61Å; A117-W146 HydrophobicContact CB-CH2 3.98Å; A117-W146 HydrophobicContact CB-CZ3 3.17Å; S141-W146 WeakPolarHBondContact OG-CA 3.49Å; N142-W146 PolarHBondContact O-N 3.45Å; G143-W146 PolarHBondContact O-N 3.49Å; E144-W146 VanDerWaalsContact C-N 3.3Å; E144-W146 PolarHBondContact O-N 2.9Å; W146-K149 PolarHBondContact O-N 3.02Å; W146-R150 HydrophobicContact CH2-CB 4.28Å; W146-R150 HydrophobicContact CH2-CG 4.09Å; W146-R150 HydrophobicContact CZ2-CB 3.94Å; W146-R150 HydrophobicContact CZ2-CG 3.78Å; W146-R150 VanDerWaalsContact O-CB 3.3Å; W146-R150 WeakPolarHBondContact O-CB 3.28Å; W146-R150 PolarHBondContact O-N 3.35Å; W146-P469 HydrophobicContact CH2-CB 4.01Å; W146-P469 VanDerWaalsContact CH2-O 3.23Å; W146-P469 WeakPolarHBondContact CH2-O 3.29Å; W146-P469 WeakPolarHBondContact CZ2-O 3.33Å; W146-R470 VanDerWaalsContact CD1-NH2 3.29Å; W146-R470 VanDerWaalsContact CE2-CD 3.42Å; W146-R470 VanDerWaalsContact CE2-NE 3.33Å; W146-R470 VanDerWaalsContact NE1-NE 3.15Å
147S93.9Very high93Very high52 Ų5238.9 Ų38.936%0.36420%0.196SC..Hα-helixtrans-62-45.8-178.4-168.60000111.4G143 E144 R150 R151G143-S147 PolarHBondContact O-N 2.66Å; E144-S147 PolarHBondContact O-N 3.06Å; E144-S147 VanDerWaalsContact O-N 3.12Å; S147-R150 PolarHBondContact O-N 2.76Å; S147-R151 WeakPolarHBondContact O-CB 3.34Å; S147-R151 PolarHBondContact O-N 3.24Å
148R93.6Very high92.5Very high58 Ų5842.9 Ų42.922%0.21921%0.214CC..Hα-helixtrans-55.3-54174.2179.4-175.7177.1-121.9-2110.8E144 R150 R151 L152 D311 G316 E321E144-R148 WeakPolarHBondContact O-CB 3.36Å; E144-R148 PolarHBondContact O-N 3.02Å; R148-R150 PolarHBondContact O-N 2.92Å; R148-R151 PolarHBondContact O-N 2.64Å; R148-L152 HydrophobicContact CG-CD1 4.07Å; R148-L152 WeakPolarHBondContact O-CG 3.47Å; R148-L152 PolarHBondContact O-N 3.24Å; R148-D311 IonicContact CZ-OD2 3.72Å; R148-D311 IonicContact NE-OD2 3.31Å; R148-D311 PolarHBondContact NE-OD2 2.98Å; R148-D311 IonicContact NH2-OD2 2.76Å; R148-D311 PolarHBondContact NH2-OD2 3.32Å; R148-G316 PolarHBondContact NH2-O 3.01Å; R148-E321 IonicContact NH1-OE1 3.66Å; R148-E321 IonicContact NH1-OE2 2.74Å; R148-E321 PolarHBondContact NH1-OE2 3.04Å
149K93.8Very high91.9Very high2 Ų246.3 Ų46.31%0.00923%0.229CC..Hα-helixtrans-60.6-43.8178.7-74166.1172.7172.50111.7R136 L138 E145 W146 R151 L152 L153 L317 E321 E325R136-K149 PolarHBondContact O-NZ 2.91Å; L138-K149 HydrophobicContact CD1-CB 4.02Å; E145-K149 HydrophobicContact CG-CD 4.19Å; E145-K149 WeakPolarHBondContact O-CG 3.49Å; E145-K149 PolarHBondContact O-N 3.18Å; E145-K149 VanDerWaalsContact O-N 3.13Å; E145-K149 IonicContact OE1-NZ 3.41Å; E145-K149 PolarHBondContact OE1-NZ 2.72Å; W146-K149 PolarHBondContact O-N 3.02Å; K149-R151 PolarHBondContact O-N 3.45Å; K149-L152 PolarHBondContact O-N 3.27Å; K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 WeakPolarHBondContact O-CG 3.39Å; K149-L153 PolarHBondContact O-N 2.84Å; K149-L317 HydrophobicContact CG-CD2 4.49Å; K149-E321 WeakPolarHBondContact CE-OE1 3.41Å; K149-E321 IonicContact NZ-OE1 2.72Å; K149-E321 PolarHBondContact NZ-OE1 2.93Å; K149-E325 WeakPolarHBondContact CD-OE1 3.45Å
150R94.3Very high91.3Very high43 Ų4346.6 Ų46.616%0.16223%0.231CC..Hα-helixtrans-61.3-43.9179.3-175.459.9-178.3-117.5-3.7111.6L138 W146 S147 R148 L153 T154 N471L138-R150 VanDerWaalsContact CD1-CA 3.49Å; L138-R150 HydrophobicContact CD1-CB 3.74Å; L138-R150 HydrophobicContact CD1-CG 4.49Å; W146-R150 HydrophobicContact CH2-CB 4.28Å; W146-R150 HydrophobicContact CH2-CG 4.09Å; W146-R150 HydrophobicContact CZ2-CB 3.94Å; W146-R150 HydrophobicContact CZ2-CG 3.78Å; W146-R150 VanDerWaalsContact O-CB 3.3Å; W146-R150 WeakPolarHBondContact O-CB 3.28Å; W146-R150 PolarHBondContact O-N 3.35Å; S147-R150 PolarHBondContact O-N 2.76Å; R148-R150 PolarHBondContact O-N 2.92Å; R150-L153 PolarHBondContact O-N 3.34Å; R150-T154 PolarHBondContact NE-OG1 3.49Å; R150-T154 WeakPolarHBondContact O-CB 3.39Å; R150-T154 PolarHBondContact O-N 3.07Å; R150-T154 PolarHBondContact O-OG1 2.88Å; R150-N471 PolarHBondContact NH1-O 2.92Å; R150-N471 PolarHBondContact NH1-OD1 3.24Å; R150-N471 PolarHBondContact NH2-OD1 2.91Å
151R91.8Very high90.9Very high123 Ų12347.3 Ų47.346%0.46423%0.234SC..Hα-helixtrans-63.3-44.7177.5-176.4173.860.2-160.11.2111.6S147 R148 K149 L153 P155 E312S147-R151 WeakPolarHBondContact O-CB 3.34Å; S147-R151 PolarHBondContact O-N 3.24Å; R148-R151 PolarHBondContact O-N 2.64Å; K149-R151 PolarHBondContact O-N 3.45Å; R151-L153 PolarHBondContact O-N 2.93Å; R151-P155 WeakPolarHBondContact O-CD 3.29Å; R151-E312 IonicContact CZ-OE1 2.92Å; R151-E312 IonicContact NE-OE1 3.66Å; R151-E312 IonicContact NH1-OE1 2.76Å; R151-E312 PolarHBondContact NH1-OE1 3.45Å; R151-E312 IonicContact NH1-OE2 3.16Å; R151-E312 IonicContact NH2-OE1 2.83Å
152L90.6Very high90.5Very high16 Ų1647.2 Ų47.28%0.08423%0.233CC..Hα-helixtrans-63.6-37.4178.7-71.4169.6000113R148 K149 D311 L317R148-L152 HydrophobicContact CG-CD1 4.07Å; R148-L152 WeakPolarHBondContact O-CG 3.47Å; R148-L152 PolarHBondContact O-N 3.24Å; K149-L152 PolarHBondContact O-N 3.27Å; L152-D311 HydrophobicContact CD2-CB 4.39Å; L152-L317 HydrophobicContact CD1-CD2 4.08Å
153L91.3Very high90.2Very high1 Ų148.8 Ų48.81%0.00524%0.239CC..Hα-helixtrans-95.3-20.6-171.1-57.6177.2000114.6L138 K149 R150 R151 P155 A156 F157 F302 I306 E325 F329 I473L138-L153 HydrophobicContact CB-CD1 4.34Å; L138-L153 HydrophobicContact CD2-CD1 4.3Å; K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 WeakPolarHBondContact O-CG 3.39Å; K149-L153 PolarHBondContact O-N 2.84Å; R150-L153 PolarHBondContact O-N 3.34Å; R151-L153 PolarHBondContact O-N 2.93Å; L153-P155 VanDerWaalsContact C-CD 3.41Å; L153-A156 VanDerWaalsContact O-CB 3.24Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 3.21Å; L153-A156 VanDerWaalsContact O-N 3.14Å; L153-F157 WeakPolarHBondContact O-CD2 3.23Å; L153-F302 HydrophobicContact CD1-CE2 4.27Å; L153-F302 HydrophobicContact CD2-CE2 3.87Å; L153-F302 HydrophobicContact CG-CE2 4.45Å; L153-I306 HydrophobicContact CD2-CG2 3.57Å; L153-E325 HydrophobicContact CD1-CG 4.11Å; L153-F329 HydrophobicContact CD1-CE2 3.73Å; L153-F329 HydrophobicContact CD1-CZ 4.01Å; L153-I473 HydrophobicContact CB-CD1 4.24Å
154T91.1Very high90Very high63 Ų6352 Ų5239%0.38725%0.252SS..G310 helixtrans-56.6-38.4-179.9-64.60000114.2R150 A156 F157R150-T154 PolarHBondContact NE-OG1 3.49Å; R150-T154 WeakPolarHBondContact O-CB 3.39Å; R150-T154 PolarHBondContact O-N 3.07Å; R150-T154 PolarHBondContact O-OG1 2.88Å; T154-A156 PolarHBondContact O-N 3.32Å; T154-A156 VanDerWaalsContact O-N 3.13Å; T154-F157 PolarHBondContact O-N 3.39Å; T154-F157 VanDerWaalsContact O-N 3.08Å
155P88.6Confident90Very high70 Ų7044.5 Ų44.546%0.45522%0.216SC..G310 helixtrans-56-29.2176.9-28.136.7000114.4R151 L153 F157 H158 I161R151-P155 WeakPolarHBondContact O-CD 3.29Å; L153-P155 VanDerWaalsContact C-CD 3.41Å; P155-F157 PolarHBondContact O-N 2.94Å; P155-F157 VanDerWaalsContact O-N 3.12Å; P155-H158 WeakPolarHBondContact O-CB 3.44Å; P155-H158 PolarHBondContact O-N 2.68Å; P155-I161 VanDerWaalsContact O-CD1 3.25Å; P155-I161 WeakPolarHBondContact O-CD1 3.48Å
156A85.8Confident90.1Very high2 Ų242.6 Ų42.62%0.01721%0.208CC..G310 helixtrans-60.3-22.2178.500000113.7L153 T154 F302 L305L153-A156 VanDerWaalsContact O-CB 3.24Å; L153-A156 WeakPolarHBondContact O-CB 3.39Å; L153-A156 PolarHBondContact O-N 3.21Å; L153-A156 VanDerWaalsContact O-N 3.14Å; T154-A156 PolarHBondContact O-N 3.32Å; T154-A156 VanDerWaalsContact O-N 3.13Å; A156-F302 HydrophobicContact CB-CB 4.26Å; A156-F302 HydrophobicContact CB-CD2 4.16Å; A156-L305 HydrophobicContact CB-CD1 3.29Å
157F86.2Confident90Very high27 Ų2746.3 Ų46.312%0.11823%0.232CC..G310 helixtrans-11016.8-174.8-58.5-81.1000112.1L153 T154 P155 F302 F329 I473 F477L153-F157 WeakPolarHBondContact O-CD2 3.23Å; T154-F157 PolarHBondContact O-N 3.39Å; T154-F157 VanDerWaalsContact O-N 3.08Å; P155-F157 PolarHBondContact O-N 2.94Å; P155-F157 VanDerWaalsContact O-N 3.12Å; F157-F302 HydrophobicContact CE2-CD2 4.25Å; F157-F302 HydrophobicContact CZ-CD2 4.21Å; F157-F329 HydrophobicContact CE1-CE1 4.36Å; F157-F329 HydrophobicContact CE2-CD1 4.28Å; F157-F329 AromaticContact CE2-CE1 3.46Å; F157-F329 HydrophobicContact CE2-CE1 3.46Å; F157-F329 VanDerWaalsContact CE2-CE1 3.46Å; F157-F329 HydrophobicContact CE2-CZ 4.14Å; F157-F329 AromaticContact CZ-CD1 3.66Å; F157-F329 HydrophobicContact CZ-CD1 3.66Å; F157-F329 AromaticContact CZ-CE1 3.25Å; F157-F329 HydrophobicContact CZ-CE1 3.25Å; F157-F329 HydrophobicContact CZ-CZ 4.32Å; F157-I473 HydrophobicContact CD2-CD1 3.78Å; F157-I473 HydrophobicContact CD2-CG1 3.65Å; F157-I473 HydrophobicContact CD2-CG2 4.4Å; F157-I473 HydrophobicContact CE2-CD1 3.96Å; F157-I473 HydrophobicContact CE2-CG1 4.12Å; F157-I473 HydrophobicContact CE2-CG2 4.14Å; F157-I473 HydrophobicContact CG-CG1 4.27Å; F157-I473 HydrophobicContact CZ-CG2 4.48Å; F157-F477 HydrophobicContact CD1-CB 4.44Å
158H87.3Confident90.1Very high84 Ų8445.2 Ų45.239%0.38922%0.223SC..SBendtrans-68.3147.2172.8-163.1-102000111P155 D160 I161 L162P155-H158 WeakPolarHBondContact O-CB 3.44Å; P155-H158 PolarHBondContact O-N 2.68Å; H158-D160 IonicContact CE1-OD2 3.02Å; H158-D160 PolarHBondContact CE1-OD2 2.64Å; H158-D160 IonicContact ND1-OD2 2.8Å; H158-D160 PolarHBondContact ND1-OD2 2.82Å; H158-D160 PolarHBondContact O-N 2.8Å; H158-D160 VanDerWaalsContact O-N 3.16Å; H158-I161 PolarHBondContact O-N 2.67Å; H158-L162 WeakPolarHBondContact O-CG 3.48Å; H158-L162 PolarHBondContact O-N 3.32Å; H158-L162 VanDerWaalsContact O-N 3.15Å
159F82.9Confident90.3Very high84 Ų8442.5 Ų42.537%0.36821%0.213SC..Hα-helixtrans-59.8-31.8-174.862.3-97.8000112.6I161 L162 K163 W376F159-I161 PolarHBondContact O-N 2.92Å; F159-L162 PolarHBondContact O-N 3.47Å; F159-K163 WeakPolarHBondContact O-CG 3.22Å; F159-K163 PolarHBondContact O-N 3.21Å; F159-W376 HydrophobicContact CB-CH2 4.46Å; F159-W376 HydrophobicContact CB-CZ2 3.98Å
160D83.9Confident90.4Very high63 Ų6342.5 Ų42.534%0.33721%0.213SC..Hα-helixtrans-62.9-24.3177.5-68.5-45.6000114.3H158 K299H158-D160 IonicContact CE1-OD2 3.02Å; H158-D160 PolarHBondContact CE1-OD2 2.64Å; H158-D160 IonicContact ND1-OD2 2.8Å; H158-D160 PolarHBondContact ND1-OD2 2.82Å; H158-D160 PolarHBondContact O-N 2.8Å; H158-D160 VanDerWaalsContact O-N 3.16Å; D160-K299 PolarHBondContact O-NZ 2.81Å
161I86.1Confident90.5Very high18 Ų1843 Ų439%0.09222%0.223CC..Hα-helixtrans-87.2-47.1173.7-59.1-179.2000108.7P155 H158 F159 K163 N164 Y165P155-I161 VanDerWaalsContact O-CD1 3.25Å; P155-I161 WeakPolarHBondContact O-CD1 3.48Å; H158-I161 PolarHBondContact O-N 2.67Å; F159-I161 PolarHBondContact O-N 2.92Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.43Å; I161-N164 WeakPolarHBondContact O-CB 3.34Å; I161-N164 PolarHBondContact O-N 3.28Å; I161-Y165 HydrophobicContact CG2-CE1 4.22Å; I161-Y165 HydrophobicContact CG2-CE2 3.7Å; I161-Y165 VanDerWaalsContact CG2-CZ 3.46Å; I161-Y165 VanDerWaalsContact CG2-OH 3.22Å; I161-Y165 WeakPolarHBondContact CG2-OH 3.46Å
162L87.3Confident90.8Very high1 Ų137.1 Ų37.11%0.00520%0.201CC..Hα-helixtrans-60-32.1-178.3-60.1179.7000113.7H158 F159 N164 Y165 W376 K476 F477H158-L162 WeakPolarHBondContact O-CG 3.48Å; H158-L162 PolarHBondContact O-N 3.32Å; H158-L162 VanDerWaalsContact O-N 3.15Å; F159-L162 PolarHBondContact O-N 3.47Å; L162-N164 PolarHBondContact O-N 2.92Å; L162-Y165 HydrophobicContact CD2-CD2 3.84Å; L162-Y165 HydrophobicContact CD2-CE2 4.13Å; L162-Y165 WeakPolarHBondContact O-CB 3.1Å; L162-Y165 PolarHBondContact O-N 3.33Å; L162-W376 HydrophobicContact CB-CE3 4.48Å; L162-W376 HydrophobicContact CB-CH2 3.79Å; L162-W376 HydrophobicContact CB-CZ3 3.56Å; L162-W376 HydrophobicContact CD1-CH2 4.27Å; L162-K476 HydrophobicContact CD1-CB 3.49Å; L162-K476 VanDerWaalsContact CD1-CB 3.49Å; L162-F477 HydrophobicContact CD2-CB 3.89Å; L162-F477 HydrophobicContact CD2-CD2 3.83Å; L162-F477 HydrophobicContact CD2-CG 4.36Å
163K90.8Very high91.1Very high71 Ų7136.4 Ų36.431%0.30920%0.197SC..Hα-helixtrans-51.2-42.1172.9-82.8178.8178.3-120.20112.3F159 I161 Y165 I166 W376 E377F159-K163 WeakPolarHBondContact O-CG 3.22Å; F159-K163 PolarHBondContact O-N 3.21Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.43Å; K163-Y165 VanDerWaalsContact C-N 3.26Å; K163-Y165 PolarHBondContact O-N 2.96Å; K163-I166 WeakPolarHBondContact O-CG1 3.38Å; K163-I166 PolarHBondContact O-N 2.94Å; K163-W376 HydrophobicContact CB-CB 4.44Å; K163-W376 HydrophobicContact CB-CD2 4.34Å; K163-W376 HydrophobicContact CB-CG 4.3Å; K163-W376 HydrophobicContact CD-CG 4.29Å; K163-W376 VanDerWaalsContact CE-CD1 3.49Å; K163-W376 HydrophobicContact CG-CB 3.91Å; K163-W376 HydrophobicContact CG-CD2 3.49Å; K163-W376 VanDerWaalsContact CG-CD2 3.49Å; K163-W376 HydrophobicContact CG-CE3 4.08Å; K163-W376 HydrophobicContact CG-CG 3.38Å; K163-E377 IonicContact NZ-OE1 3.72Å; K163-E377 PolarHBondContact NZ-OE1 3.5Å
164N88.3Confident91.4Very high84 Ų8438 Ų3845%0.44921%0.205SC..Hα-helixtrans-72.2-23.5-178.1-61.9-14.8000112.3I161 L162 I166I161-N164 WeakPolarHBondContact O-CB 3.34Å; I161-N164 PolarHBondContact O-N 3.28Å; L162-N164 PolarHBondContact O-N 2.92Å; N164-I166 VanDerWaalsContact C-N 3.28Å; N164-I166 PolarHBondContact O-N 3.49Å
165Y93.5Very high91.6Very high13 Ų1336.8 Ų36.85%0.05120%0.198CC..Hα-helixtrans-76.5-16-178.8-62.7-21.9000113I161 L162 K163 V167 T168 F169 C208 D301 F477I161-Y165 HydrophobicContact CG2-CE1 4.22Å; I161-Y165 HydrophobicContact CG2-CE2 3.7Å; I161-Y165 VanDerWaalsContact CG2-CZ 3.46Å; I161-Y165 VanDerWaalsContact CG2-OH 3.22Å; I161-Y165 WeakPolarHBondContact CG2-OH 3.46Å; L162-Y165 HydrophobicContact CD2-CD2 3.84Å; L162-Y165 HydrophobicContact CD2-CE2 4.13Å; L162-Y165 WeakPolarHBondContact O-CB 3.1Å; L162-Y165 PolarHBondContact O-N 3.33Å; K163-Y165 VanDerWaalsContact C-N 3.26Å; K163-Y165 PolarHBondContact O-N 2.96Å; Y165-V167 VanDerWaalsContact C-N 3.32Å; Y165-V167 PolarHBondContact O-N 3.47Å; Y165-T168 CarbonylContact O-C 3.57Å; Y165-T168 WeakPolarHBondContact O-CA 3.22Å; Y165-T168 WeakPolarHBondContact O-CB 3.35Å; Y165-T168 PolarHBondContact O-N 2.93Å; Y165-F169 WeakPolarHBondContact O-CD2 3.22Å; Y165-F169 WeakPolarHBondContact O-CG 3.39Å; Y165-F169 PolarHBondContact O-N 2.72Å; Y165-C208 VanDerWaalsContact CB-SG 3.52Å; Y165-C208 HydrophobicContact CD1-CB 3.59Å; Y165-C208 VanDerWaalsContact CD1-SG 3.6Å; Y165-C208 HydrophobicContact CD2-CB 3.89Å; Y165-C208 HydrophobicContact CE1-CB 3.76Å; Y165-C208 VanDerWaalsContact CE1-O 3.23Å; Y165-C208 WeakPolarHBondContact CE1-O 3.18Å; Y165-C208 HydrophobicContact CE2-CB 4.04Å; Y165-C208 HydrophobicContact CG-CB 3.67Å; Y165-C208 VanDerWaalsContact CG-SG 3.53Å; Y165-C208 PolarHBondContact OH-O 2.87Å; Y165-D301 WeakPolarHBondContact CE1-OD1 3.4Å; Y165-D301 PolarHBondContact OH-OD1 3.33Å; Y165-F477 AromaticContact CD2-CD2 3.81Å; Y165-F477 HydrophobicContact CD2-CD2 3.81Å; Y165-F477 AromaticContact CD2-CE2 3.7Å; Y165-F477 HydrophobicContact CD2-CE2 3.7Å; Y165-F477 HydrophobicContact CE2-CD2 4.26Å; Y165-F477 HydrophobicContact CE2-CE2 4.19Å; Y165-F477 HydrophobicContact CG-CE2 4.42Å
166I95.3Very high92Very high4 Ų433.6 Ų33.62%0.02118%0.177CC..Hα-helixtrans-58.5-43.8176.9-59.3-52.1000111.9K163 N164 T168 F169 N170 I374 W376 L379 A480 V484K163-I166 WeakPolarHBondContact O-CG1 3.38Å; K163-I166 PolarHBondContact O-N 2.94Å; N164-I166 VanDerWaalsContact C-N 3.28Å; N164-I166 PolarHBondContact O-N 3.49Å; I166-T168 PolarHBondContact O-N 3.45Å; I166-F169 HydrophobicContact CD1-CD2 3.81Å; I166-F169 HydrophobicContact CD1-CE2 4.13Å; I166-F169 PolarHBondContact O-N 3.07Å; I166-F169 VanDerWaalsContact O-N 3.16Å; I166-N170 WeakPolarHBondContact CG2-ND2 3.38Å; I166-N170 PolarHBondContact O-N 2.92Å; I166-N170 PolarHBondContact O-ND2 3.49Å; I166-I374 WeakPolarHBondContact CG2-O 3.48Å; I166-W376 HydrophobicContact CD1-CE3 3.75Å; I166-W376 HydrophobicContact CD1-CZ3 4.27Å; I166-W376 HydrophobicContact CG1-CB 3.99Å; I166-W376 HydrophobicContact CG1-CE3 3.72Å; I166-L379 HydrophobicContact CD1-CD1 3.73Å; I166-A480 HydrophobicContact CD1-CB 4.1Å; I166-V484 HydrophobicContact CD1-CG2 4.28Å; I166-V484 HydrophobicContact CG2-CG2 4.39Å
167V94.4Very high92.6Very high93 Ų9333.5 Ų33.556%0.56418%0.176SC*.Hα-helixtrans-58.5-38.8175.4-179.70000110.9Y165 N170 S171Y165-V167 VanDerWaalsContact C-N 3.32Å; Y165-V167 PolarHBondContact O-N 3.47Å; V167-N170 PolarHBondContact O-N 3.41Å; V167-S171 WeakPolarHBondContact O-CB 3.44Å; V167-S171 PolarHBondContact O-N 2.71Å
168T95.3Very high93Very high30 Ų3036.5 Ų36.518%0.18419%0.194CC..Hα-helixtrans-71.3-39.4178.1-59.60000112Y165 I166 S171 S172 K207 C208Y165-T168 CarbonylContact O-C 3.57Å; Y165-T168 WeakPolarHBondContact O-CA 3.22Å; Y165-T168 WeakPolarHBondContact O-CB 3.35Å; Y165-T168 PolarHBondContact O-N 2.93Å; I166-T168 PolarHBondContact O-N 3.45Å; T168-S171 PolarHBondContact O-N 3.45Å; T168-S172 WeakPolarHBondContact O-CB 3.38Å; T168-S172 PolarHBondContact O-N 3.11Å; T168-S172 PolarHBondContact O-OG 2.69Å; T168-K207 HydrophobicContact CG2-CB 3.38Å; T168-K207 HydrophobicContact CG2-CD 3.79Å; T168-K207 HydrophobicContact CG2-CG 4.25Å; T168-C208 VanDerWaalsContact CB-SG 3.51Å; T168-C208 WeakPolarHBondContact CG2-SG 3.34Å
169F97.6Very high93.4Very high1 Ų135 Ų350%0.00419%0.186CC..Hα-helixtrans-60.3-45.9172.9-62.4-42.5000111.3Y165 I166 T173 S204 F477 A480 E481 V484Y165-F169 WeakPolarHBondContact O-CD2 3.22Å; Y165-F169 WeakPolarHBondContact O-CG 3.39Å; Y165-F169 PolarHBondContact O-N 2.72Å; I166-F169 HydrophobicContact CD1-CD2 3.81Å; I166-F169 HydrophobicContact CD1-CE2 4.13Å; I166-F169 PolarHBondContact O-N 3.07Å; I166-F169 VanDerWaalsContact O-N 3.16Å; F169-T173 WeakPolarHBondContact O-CB 2.94Å; F169-T173 PolarHBondContact O-N 2.88Å; F169-T173 PolarHBondContact O-OG1 2.77Å; F169-S204 WeakPolarHBondContact CD1-OG 3.46Å; F169-S204 VanDerWaalsContact CE1-OG 3.32Å; F169-S204 WeakPolarHBondContact CE1-OG 3.35Å; F169-F477 AromaticContact CE1-CE1 3.95Å; F169-F477 HydrophobicContact CE1-CE1 3.95Å; F169-F477 AromaticContact CE1-CE2 3.98Å; F169-F477 HydrophobicContact CE1-CE2 3.98Å; F169-F477 AromaticContact CE1-CZ 3.54Å; F169-F477 HydrophobicContact CE1-CZ 3.54Å; F169-F477 HydrophobicContact CZ-CD1 4.33Å; F169-F477 AromaticContact CZ-CD2 3.98Å; F169-F477 HydrophobicContact CZ-CD2 3.98Å; F169-F477 AromaticContact CZ-CE1 3.98Å; F169-F477 HydrophobicContact CZ-CE1 3.98Å; F169-F477 AromaticContact CZ-CE2 3.6Å; F169-F477 HydrophobicContact CZ-CE2 3.6Å; F169-F477 HydrophobicContact CZ-CG 4.32Å; F169-F477 AromaticContact CZ-CZ 3.6Å; F169-F477 HydrophobicContact CZ-CZ 3.6Å; F169-A480 HydrophobicContact CE2-CB 3.98Å; F169-E481 HydrophobicContact CD1-CB 3.86Å; F169-E481 HydrophobicContact CD1-CG 3.71Å; F169-E481 HydrophobicContact CD2-CB 4.49Å; F169-E481 HydrophobicContact CE1-CB 3.6Å; F169-E481 HydrophobicContact CE1-CG 3.75Å; F169-E481 HydrophobicContact CE2-CB 4.25Å; F169-E481 HydrophobicContact CG-CB 4.36Å; F169-E481 HydrophobicContact CG-CG 4.45Å; F169-E481 HydrophobicContact CZ-CB 3.82Å; F169-E481 HydrophobicContact CZ-CG 4.47Å; F169-V484 HydrophobicContact CB-CB 3.99Å; F169-V484 HydrophobicContact CB-CG1 3.74Å; F169-V484 HydrophobicContact CB-CG2 4.19Å; F169-V484 HydrophobicContact CD2-CG2 4.39Å
170N97.1Very high94Very high1 Ų131 Ų311%0.00517%0.169CC..Hα-helixtrans-57.6-51.8174.1-76.6-81.5000110.7I166 V167 T173 N174 E373 I374 L488I166-N170 WeakPolarHBondContact CG2-ND2 3.38Å; I166-N170 PolarHBondContact O-N 2.92Å; I166-N170 PolarHBondContact O-ND2 3.49Å; V167-N170 PolarHBondContact O-N 3.41Å; N170-T173 PolarHBondContact O-N 2.75Å; N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-N 3.1Å; N170-N174 PolarHBondContact O-ND2 2.95Å; N170-N174 PolarHBondContact O-OD1 2.95Å; N170-E373 WeakPolarHBondContact OD1-CA 3.37Å; N170-I374 PolarHBondContact ND2-O 3.33Å; N170-I374 PolarHBondContact OD1-N 3.49Å; N170-L488 WeakPolarHBondContact OD1-CD1 3.39Å
171S96.3Very high94.6Very high54 Ų5430.4 Ų30.438%0.37816%0.164SC..Hα-helixtrans-58.6-50.8-179.4177.30000113V167 T168 T173 N174 T175V167-S171 WeakPolarHBondContact O-CB 3.44Å; V167-S171 PolarHBondContact O-N 2.71Å; T168-S171 PolarHBondContact O-N 3.45Å; S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.19Å; S171-N174 PolarHBondContact O-N 2.99Å; S171-T175 PolarHBondContact O-N 2.88Å; S171-T175 PolarHBondContact O-OG1 3.4Å
172S97.5Very high95Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-64.6-36.4179-72.50000112.1T168 T175 M176 M200 D203 S204 K207 Q217T168-S172 WeakPolarHBondContact O-CB 3.38Å; T168-S172 PolarHBondContact O-N 3.11Å; T168-S172 PolarHBondContact O-OG 2.69Å; S172-T175 PolarHBondContact O-N 3.21Å; S172-M176 PolarHBondContact O-N 3.45Å; S172-M200 WeakPolarHBondContact O-CG 3.4Å; S172-D203 WeakPolarHBondContact CB-OD2 3.38Å; S172-D203 PolarHBondContact OG-OD2 2.94Å; S172-S204 PolarHBondContact OG-N 3.19Å; S172-K207 PolarHBondContact OG-NZ 3.14Å; S172-Q217 PolarHBondContact O-NE2 3.19Å; S172-Q217 PolarHBondContact O-OE1 3.18Å
173T97.8Very high95.4Very high0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-65.8-41.9173.8-58.60000111.5F169 N170 S171 T175 M176 H177 V485 L488F169-T173 WeakPolarHBondContact O-CB 2.94Å; F169-T173 PolarHBondContact O-N 2.88Å; F169-T173 PolarHBondContact O-OG1 2.77Å; N170-T173 PolarHBondContact O-N 2.75Å; S171-T173 VanDerWaalsContact C-N 3.31Å; S171-T173 PolarHBondContact O-N 3.19Å; T173-T175 PolarHBondContact O-N 3.4Å; T173-M176 WeakPolarHBondContact O-CB 3.43Å; T173-M176 PolarHBondContact O-N 2.72Å; T173-H177 WeakPolarHBondContact CG2-CE1 3.19Å; T173-H177 PolarHBondContact O-N 3.5Å; T173-V485 WeakPolarHBondContact OG1-CG2 3.47Å; T173-L488 HydrophobicContact CG2-CB 4.01Å; T173-L488 HydrophobicContact CG2-CD1 3.92Å
174N96.2Very high95.6Very high34 Ų3436.4 Ų36.418%0.18219%0.19CC..Hα-helixtrans-61.9-41.2177-70.8-20.2000111.7N170 S171 M176 H177 N178 R492N170-N174 WeakPolarHBondContact O-CB 3.46Å; N170-N174 PolarHBondContact O-N 3.1Å; N170-N174 PolarHBondContact O-ND2 2.95Å; N170-N174 PolarHBondContact O-OD1 2.95Å; S171-N174 PolarHBondContact O-N 2.99Å; N174-M176 VanDerWaalsContact C-N 3.34Å; N174-M176 PolarHBondContact O-N 3.09Å; N174-H177 PolarHBondContact O-N 2.74Å; N174-N178 WeakPolarHBondContact O-CB 3.46Å; N174-N178 PolarHBondContact O-N 3.45Å; N174-N178 PolarHBondContact O-ND2 3.02Å; N174-N178 PolarHBondContact O-OD1 2.81Å; N174-R492 PolarHBondContact OD1-NH1 2.84Å; N174-R492 PolarHBondContact OD1-NH2 2.89Å
175T96.4Very high95.9Very high39 Ų3936.8 Ų36.824%0.23920%0.204CC..Hα-helixtrans-57.2-47.7173.3-59.30000111.6S171 S172 T173 N178 K179 Q217S171-T175 PolarHBondContact O-N 2.88Å; S171-T175 PolarHBondContact O-OG1 3.4Å; S172-T175 PolarHBondContact O-N 3.21Å; T173-T175 PolarHBondContact O-N 3.4Å; T175-N178 PolarHBondContact O-N 2.95Å; T175-K179 PolarHBondContact O-N 3.06Å; T175-Q217 HydrophobicContact CG2-CB 3.99Å; T175-Q217 HydrophobicContact CG2-CG 4.38Å
176M97.3Very high96Very high2 Ų239.2 Ų39.21%0.0123%0.233CC..Hα-helixtrans-62.3-46.4177.4-173.7-178.468.500111.7S172 T173 N174 N178 K179 W180 H196 V197 M200 Q217 V485S172-M176 PolarHBondContact O-N 3.45Å; T173-M176 WeakPolarHBondContact O-CB 3.43Å; T173-M176 PolarHBondContact O-N 2.72Å; N174-M176 VanDerWaalsContact C-N 3.34Å; N174-M176 PolarHBondContact O-N 3.09Å; M176-N178 PolarHBondContact O-N 3.36Å; M176-K179 WeakPolarHBondContact O-CB 3.43Å; M176-K179 PolarHBondContact O-N 2.77Å; M176-K179 VanDerWaalsContact O-N 3.16Å; M176-W180 HydrophobicContact CE-CH2 3.58Å; M176-W180 HydrophobicContact CE-CZ2 3.75Å; M176-W180 HydrophobicContact CE-CZ3 4.14Å; M176-W180 HydrophobicContact CG-CD2 4.46Å; M176-W180 HydrophobicContact CG-CZ2 4Å; M176-W180 PolarHBondContact O-N 2.97Å; M176-W180 HydrophobicContact SD-CH2 4.11Å; M176-W180 HydrophobicContact SD-CZ2 3.64Å; M176-H196 HydrophobicContact CG-CB 4.4Å; M176-H196 HydrophobicContact SD-CB 4.32Å; M176-V197 HydrophobicContact SD-CG2 4.07Å; M176-M200 HydrophobicContact CB-CB 4.19Å; M176-M200 HydrophobicContact CB-CG 4Å; M176-M200 HydrophobicContact CE-CG 4.46Å; M176-M200 HydrophobicContact CG-CB 4.39Å; M176-M200 HydrophobicContact SD-CB 3.75Å; M176-M200 HydrophobicContact SD-CG 4Å; M176-Q217 VanDerWaalsContact N-OE1 3.15Å; M176-V485 HydrophobicContact CE-CG1 4.38Å
177H96.6Very high95.9Very high0 Ų041.8 Ų41.80%026%0.261CS..Hα-helixtrans-64.8-39.4179.3-68.9167.7000112.4T173 N174 K179 W180 H181 T489 R492 F493T173-H177 WeakPolarHBondContact CG2-CE1 3.19Å; T173-H177 PolarHBondContact O-N 3.5Å; N174-H177 PolarHBondContact O-N 2.74Å; H177-K179 PolarHBondContact O-N 3.43Å; H177-W180 AromaticContact CD2-CE3 3.79Å; H177-W180 AromaticContact CD2-CZ3 3.94Å; H177-W180 CarbonylContact O-C 3.22Å; H177-W180 WeakPolarHBondContact O-CA 3.04Å; H177-W180 WeakPolarHBondContact O-CB 3.25Å; H177-W180 PolarHBondContact O-N 3.21Å; H177-H181 PolarHBondContact O-CD2 3.15Å; H177-H181 PolarHBondContact O-N 3.06Å; H177-T489 PolarHBondContact CE1-N 3.43Å; H177-T489 WeakPolarHBondContact NE2-CA 3.36Å; H177-T489 PolarHBondContact NE2-OG1 3.47Å; H177-R492 PolarHBondContact ND1-NH1 3.37Å; H177-F493 HydrophobicContact CB-CE2 3.97Å; H177-F493 HydrophobicContact CB-CZ 4.43Å; H177-F493 AromaticContact CD2-CE2 3.68Å; H177-F493 AromaticContact CG-CE2 3.78Å
178N95.6Very high96Very high91 Ų9140.7 Ų40.749%0.48726%0.255SS..Hα-helixtrans-60-36174.1-71.1-16000111.6N174 T175 M176 R182N174-N178 WeakPolarHBondContact O-CB 3.46Å; N174-N178 PolarHBondContact O-N 3.45Å; N174-N178 PolarHBondContact O-ND2 3.02Å; N174-N178 PolarHBondContact O-OD1 2.81Å; T175-N178 PolarHBondContact O-N 2.95Å; M176-N178 PolarHBondContact O-N 3.36Å; N178-R182 WeakPolarHBondContact O-CG 3.26Å; N178-R182 PolarHBondContact O-N 3.49Å; N178-R182 PolarHBondContact O-NE 3.26Å
179K95.4Very high95.9Very high53 Ų5342 Ų4223%0.2326%0.262CS..Hα-helixtrans-66.6-42.9171.5-172178.6-176.4179.20111.3T175 M176 H177 R182 L183 Q217T175-K179 PolarHBondContact O-N 3.06Å; M176-K179 WeakPolarHBondContact O-CB 3.43Å; M176-K179 PolarHBondContact O-N 2.77Å; M176-K179 VanDerWaalsContact O-N 3.16Å; H177-K179 PolarHBondContact O-N 3.43Å; K179-R182 PolarHBondContact O-N 2.98Å; K179-L183 HydrophobicContact CG-CD1 4.4Å; K179-L183 WeakPolarHBondContact O-CG 3.37Å; K179-L183 PolarHBondContact O-N 3.41Å; K179-Q217 PolarHBondContact NZ-O 3.37Å
180W96.3Very high95.8Very high0 Ų043.7 Ų43.70%027%0.271CS..Hα-helixtrans-64.8-43.6177.3-69.1-2.1000113.3M176 H177 R182 L183 V184 I191 M193 H196 T489 F493 L528M176-W180 HydrophobicContact CE-CH2 3.58Å; M176-W180 HydrophobicContact CE-CZ2 3.75Å; M176-W180 HydrophobicContact CE-CZ3 4.14Å; M176-W180 HydrophobicContact CG-CD2 4.46Å; M176-W180 HydrophobicContact CG-CZ2 4Å; M176-W180 PolarHBondContact O-N 2.97Å; M176-W180 HydrophobicContact SD-CH2 4.11Å; M176-W180 HydrophobicContact SD-CZ2 3.64Å; H177-W180 AromaticContact CD2-CE3 3.79Å; H177-W180 AromaticContact CD2-CZ3 3.94Å; H177-W180 CarbonylContact O-C 3.22Å; H177-W180 WeakPolarHBondContact O-CA 3.04Å; H177-W180 WeakPolarHBondContact O-CB 3.25Å; H177-W180 PolarHBondContact O-N 3.21Å; W180-R182 VanDerWaalsContact C-N 3.31Å; W180-R182 PolarHBondContact O-N 3.41Å; W180-L183 PolarHBondContact O-N 2.91Å; W180-L183 VanDerWaalsContact O-N 3.11Å; W180-V184 WeakPolarHBondContact O-CG2 3.42Å; W180-V184 PolarHBondContact O-N 2.77Å; W180-I191 HydrophobicContact CD2-CD1 4.03Å; W180-I191 HydrophobicContact CG-CD1 4.33Å; W180-I191 HydrophobicContact CZ2-CD1 3.86Å; W180-M193 HydrophobicContact CH2-CE 3.37Å; W180-M193 HydrophobicContact CH2-SD 4.22Å; W180-M193 HydrophobicContact CZ2-CE 3.61Å; W180-M193 HydrophobicContact CZ2-SD 4.08Å; W180-M193 HydrophobicContact CZ3-CE 4.41Å; W180-H196 AromaticContact CD1-ND1 3.65Å; W180-H196 HydrophobicContact CZ2-CB 4.24Å; W180-H196 AromaticContact NE1-CE1 3.94Å; W180-H196 AromaticContact NE1-CG 3.48Å; W180-H196 AromaticContact NE1-ND1 3.21Å; W180-H196 PolarHBondContact NE1-ND1 3.25Å; W180-T489 HydrophobicContact CH2-CG2 4.39Å; W180-T489 HydrophobicContact CZ3-CG2 3.77Å; W180-F493 HydrophobicContact CB-CE1 4.12Å; W180-F493 HydrophobicContact CB-CE2 4.37Å; W180-F493 HydrophobicContact CB-CZ 3.74Å; W180-F493 AromaticContact CE3-CD2 3.93Å; W180-F493 HydrophobicContact CE3-CD2 3.93Å; W180-F493 AromaticContact CE3-CE2 3.84Å; W180-F493 HydrophobicContact CE3-CE2 3.84Å; W180-F493 HydrophobicContact CE3-CG 4.44Å; W180-F493 HydrophobicContact CE3-CZ 4.27Å; W180-F493 HydrophobicContact CZ3-CD2 4.36Å; W180-L528 HydrophobicContact CB-CD1 3.88Å; W180-L528 HydrophobicContact CD2-CD1 3.8Å; W180-L528 HydrophobicContact CE3-CD1 3.92Å; W180-L528 HydrophobicContact CE3-CD2 4.16Å; W180-L528 HydrophobicContact CG-CD1 3.8Å; W180-L528 HydrophobicContact CZ3-CD2 4.3Å
181H95.9Very high95.7Very high49 Ų4944 Ų4423%0.22727%0.273CS..Hα-helixtrans-56.7-45.1173.2-70.7-62.5000111.4H177 L183 V184 A185 F493 D530H177-H181 PolarHBondContact O-CD2 3.15Å; H177-H181 PolarHBondContact O-N 3.06Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 2.74Å; H181-V184 PolarHBondContact O-N 3.31Å; H181-A185 VanDerWaalsContact O-CB 3.24Å; H181-A185 WeakPolarHBondContact O-CB 3.47Å; H181-A185 PolarHBondContact O-N 3.42Å; H181-F493 AromaticContact CD2-CZ 3.86Å; H181-F493 AromaticContact CE1-CE1 3.74Å; H181-F493 AromaticContact CE1-CZ 3.37Å; H181-F493 WeakPolarHBondContact CE1-CZ 3.44Å; H181-F493 AromaticContact CG-CZ 3.91Å; H181-F493 AromaticContact ND1-CE1 3.75Å; H181-F493 AromaticContact ND1-CZ 3.62Å; H181-F493 AromaticContact NE2-CZ 3.5Å; H181-F493 WeakPolarHBondContact NE2-CZ 3.12Å; H181-D530 IonicContact CE1-OD1 3.43Å; H181-D530 PolarHBondContact CE1-OD1 3.48Å; H181-D530 IonicContact CE1-OD2 3.98Å; H181-D530 IonicContact CG-OD2 2.81Å; H181-D530 IonicContact ND1-OD1 3.96Å; H181-D530 PolarHBondContact ND1-OD1 3.33Å; H181-D530 VanDerWaalsContact ND1-OD1 3.16Å; H181-D530 IonicContact ND1-OD2 3.59Å; H181-D530 PolarHBondContact ND1-OD2 2.96Å
182R95.3Very high95.6Very high142 Ų14242.3 Ų42.354%0.53626%0.259SS..Hα-helixtrans-60.2-41.3175-74-176.3-70.5163.6-2.6112.4N178 K179 W180 G186 E218N178-R182 WeakPolarHBondContact O-CG 3.26Å; N178-R182 PolarHBondContact O-N 3.49Å; N178-R182 PolarHBondContact O-NE 3.26Å; K179-R182 PolarHBondContact O-N 2.98Å; W180-R182 VanDerWaalsContact C-N 3.31Å; W180-R182 PolarHBondContact O-N 3.41Å; R182-G186 PolarHBondContact O-N 3.29Å; R182-E218 IonicContact NH1-OE2 3.74Å; R182-E218 IonicContact NH2-OE1 3.43Å; R182-E218 PolarHBondContact NH2-OE1 3.01Å; R182-E218 IonicContact NH2-OE2 3.31Å; R182-E218 PolarHBondContact NH2-OE2 3.18Å; R182-E218 VanDerWaalsContact NH2-OE2 3.1Å
183L95.1Very high95.5Very high49 Ų4942.3 Ų42.326%0.25726%0.259SS..Hα-helixtrans-66.9-47.2178.5-73.1171000111.7K179 W180 H181 G186 G187 T188 I191K179-L183 HydrophobicContact CG-CD1 4.4Å; K179-L183 WeakPolarHBondContact O-CG 3.37Å; K179-L183 PolarHBondContact O-N 3.41Å; W180-L183 PolarHBondContact O-N 2.91Å; W180-L183 VanDerWaalsContact O-N 3.11Å; H181-L183 VanDerWaalsContact C-N 3.34Å; H181-L183 PolarHBondContact O-N 2.74Å; L183-G186 CarbonylContact O-C 3.44Å; L183-G186 WeakPolarHBondContact O-CA 3Å; L183-G186 PolarHBondContact O-N 2.86Å; L183-G186 VanDerWaalsContact O-N 3.11Å; L183-G187 PolarHBondContact O-N 3.2Å; L183-T188 CarbonylContact C-O 3.55Å; L183-T188 VanDerWaalsContact C-O 3.29Å; L183-T188 HydrophobicContact CD2-CG2 4.36Å; L183-T188 WeakPolarHBondContact O-CA 3.15Å; L183-T188 PolarHBondContact O-N 3.28Å; L183-I191 HydrophobicContact CD1-CG2 4.31Å
184V95.3Very high95.3Very high26 Ų2642.6 Ų42.616%0.15826%0.261CS..Hα-helixtrans-63.7-44.7178.8173.70000110.8W180 H181 G186 G187 T188 T189 L528 D530W180-V184 WeakPolarHBondContact O-CG2 3.42Å; W180-V184 PolarHBondContact O-N 2.77Å; H181-V184 PolarHBondContact O-N 3.31Å; V184-G186 PolarHBondContact O-N 3.03Å; V184-G187 PolarHBondContact O-N 2.96Å; V184-T188 PolarHBondContact N-O 2.9Å; V184-T189 HydrophobicContact CG1-CG2 4.25Å; V184-L528 HydrophobicContact CG2-CB 3.83Å; V184-L528 HydrophobicContact CG2-CD1 4.23Å; V184-D530 HydrophobicContact CG1-CB 3.88Å
185A94.5Very high95.2Very high91 Ų9145.6 Ų45.675%0.75228%0.276SS*.Hα-helixtrans-61.5-30.6174.200000112.7H181 G187H181-A185 VanDerWaalsContact O-CB 3.24Å; H181-A185 WeakPolarHBondContact O-CB 3.47Å; H181-A185 PolarHBondContact O-N 3.42Å; A185-G187 VanDerWaalsContact C-N 3.28Å; A185-G187 PolarHBondContact O-N 3.19Å
186G94.6Very high95.1Very high64 Ų6445 Ų4566%0.6627%0.271SS*.THydrogen-bonded Turntrans-79.80.2172.600000115R182 L183 V184R182-G186 PolarHBondContact O-N 3.29Å; L183-G186 CarbonylContact O-C 3.44Å; L183-G186 WeakPolarHBondContact O-CA 3Å; L183-G186 PolarHBondContact O-N 2.86Å; L183-G186 VanDerWaalsContact O-N 3.11Å; V184-G186 PolarHBondContact O-N 3.03Å
187G94.5Very high95.2Very high59 Ų5945 Ų4561%0.60827%0.271SS*.THydrogen-bonded Turntrans89.4-1.9-179.500000115.2L183 V184 A185 T189L183-G187 PolarHBondContact O-N 3.2Å; V184-G187 PolarHBondContact O-N 2.96Å; A185-G187 VanDerWaalsContact C-N 3.28Å; A185-G187 PolarHBondContact O-N 3.19Å; G187-T189 PolarHBondContact O-N 2.96Å
188T94.9Very high95.2Very high70 Ų7045 Ų4543%0.42927%0.271SS..  trans-88.693.3176.2-57.50000109.8L183 V184 I191L183-T188 CarbonylContact C-O 3.55Å; L183-T188 VanDerWaalsContact C-O 3.29Å; L183-T188 HydrophobicContact CD2-CG2 4.36Å; L183-T188 WeakPolarHBondContact O-CA 3.15Å; L183-T188 PolarHBondContact O-N 3.28Å; V184-T188 PolarHBondContact N-O 2.9Å; T188-I191 HydrophobicContact CG2-CG2 4.43Å
189T93.9Very high95.3Very high56 Ų5641.7 Ų41.734%0.34425%0.253SS..  trans-97.9-22.9179.556.40000113.6V184 G187 Q527 L528V184-T189 HydrophobicContact CG1-CG2 4.25Å; G187-T189 PolarHBondContact O-N 2.96Å; T189-Q527 CarbonylContact O-C 3.26Å; T189-Q527 WeakPolarHBondContact O-CA 3.2Å; T189-L528 WeakPolarHBondContact CB-O 3.44Å; T189-L528 PolarHBondContact O-N 2.91Å
190N95.1Very high95.4Very high37 Ų3739.1 Ų39.120%0.19824%0.242CC..EExtended strand (participates in β ladder)trans-96.2112.2-179.8-176.867.9000110.2G498 V499 L526 Q527N190-G498 WeakPolarHBondContact OD1-CA 3.34Å; N190-V499 PolarHBondContact ND2-O 2.97Å; N190-V499 PolarHBondContact OD1-N 3.44Å; N190-L526 WeakPolarHBondContact CA-O 3.5Å; N190-Q527 HydrophobicContact CB-CG 4.22Å
191I94.9Very high95.5Very high7 Ų739.1 Ų39.14%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-126.1147.3-173.862159.6000112.1W180 L183 T188 M193 W525 L526 L528W180-I191 HydrophobicContact CD2-CD1 4.03Å; W180-I191 HydrophobicContact CG-CD1 4.33Å; W180-I191 HydrophobicContact CZ2-CD1 3.86Å; L183-I191 HydrophobicContact CD1-CG2 4.31Å; T188-I191 HydrophobicContact CG2-CG2 4.43Å; I191-M193 HydrophobicContact CD1-SD 3.58Å; I191-M193 VanDerWaalsContact CD1-SD 3.58Å; I191-M193 HydrophobicContact CG1-SD 3.9Å; I191-W525 VanDerWaalsContact C-CE3 3.48Å; I191-W525 VanDerWaalsContact O-CA 3.29Å; I191-W525 WeakPolarHBondContact O-CA 3.42Å; I191-L526 PolarHBondContact N-O 3.12Å; I191-L526 PolarHBondContact O-N 3.4Å; I191-L528 HydrophobicContact CD1-CD1 3.43Å; I191-L528 VanDerWaalsContact CD1-CD1 3.43Å; I191-L528 HydrophobicContact CD1-CD2 4.33Å; I191-L528 HydrophobicContact CD1-CG 3.96Å; I191-L528 HydrophobicContact CG1-CD1 3.92Å; I191-L528 HydrophobicContact CG1-CG 4.03Å; I191-L528 HydrophobicContact CG2-CD1 4.49Å
192E94.9Very high95.5Very high20 Ų2036.8 Ų36.89%0.09323%0.231CC..EExtended strand (participates in β ladder)trans-82.9122.2169.1-158.9-65.2131.800108.6F194 D195 H196 G523 L524 W525E192-F194 WeakPolarHBondContact OE1-CB 3.32Å; E192-F194 PolarHBondContact OE1-N 3.23Å; E192-F194 WeakPolarHBondContact OE2-CA 3.23Å; E192-F194 WeakPolarHBondContact OE2-CB 3.01Å; E192-F194 PolarHBondContact OE2-N 2.86Å; E192-D195 PolarHBondContact OE2-N 3.4Å; E192-H196 PolarHBondContact O-CD2 2.97Å; E192-H196 VanDerWaalsContact O-CD2 3.32Å; E192-G523 WeakPolarHBondContact OE1-CA 3.13Å; E192-L524 PolarHBondContact OE1-N 3.25Å; E192-W525 HydrophobicContact CB-CD2 4.03Å; E192-W525 HydrophobicContact CB-CE3 4.23Å; E192-W525 HydrophobicContact CB-CH2 4.09Å; E192-W525 HydrophobicContact CB-CZ2 3.86Å; E192-W525 HydrophobicContact CB-CZ3 4.26Å; E192-W525 HydrophobicContact CG-CD2 4.33Å; E192-W525 HydrophobicContact CG-CZ2 4.11Å
193M94.2Very high95.6Very high0 Ų030.2 Ų30.20%021%0.206CC..Hα-helixtrans-78.5-34.4-168.3-66.6-63.2-63.200113.8W180 I191 D195 H196 V197 L345 L524 L526W180-M193 HydrophobicContact CH2-CE 3.37Å; W180-M193 HydrophobicContact CH2-SD 4.22Å; W180-M193 HydrophobicContact CZ2-CE 3.61Å; W180-M193 HydrophobicContact CZ2-SD 4.08Å; W180-M193 HydrophobicContact CZ3-CE 4.41Å; I191-M193 HydrophobicContact CD1-SD 3.58Å; I191-M193 VanDerWaalsContact CD1-SD 3.58Å; I191-M193 HydrophobicContact CG1-SD 3.9Å; M193-D195 VanDerWaalsContact C-N 3.3Å; M193-D195 PolarHBondContact O-N 3.35Å; M193-H196 PolarHBondContact O-N 3.34Å; M193-V197 HydrophobicContact CE-CG2 3.93Å; M193-V197 VanDerWaalsContact O-CB 3.31Å; M193-V197 WeakPolarHBondContact O-CB 3.48Å; M193-V197 VanDerWaalsContact O-CG2 3.24Å; M193-V197 WeakPolarHBondContact O-CG2 3.43Å; M193-V197 PolarHBondContact O-N 3.16Å; M193-L345 HydrophobicContact CE-CD1 3.46Å; M193-L345 VanDerWaalsContact CE-CD1 3.46Å; M193-L524 VanDerWaalsContact CB-O 3.29Å; M193-L524 WeakPolarHBondContact CB-O 3.39Å; M193-L524 VanDerWaalsContact CG-O 3.22Å; M193-L524 WeakPolarHBondContact CG-O 3.43Å; M193-L524 PolarHBondContact N-O 3.42Å; M193-L526 HydrophobicContact CE-CD1 4.04Å; M193-L526 HydrophobicContact CG-CB 4.01Å; M193-L526 HydrophobicContact CG-CD1 3.64Å; M193-L526 HydrophobicContact CG-CG 3.64Å; M193-L526 HydrophobicContact SD-CB 4.01Å; M193-L526 HydrophobicContact SD-CD1 3.81Å; M193-L526 HydrophobicContact SD-CG 4.12Å
194F94.9Very high95.7Very high6 Ų627.9 Ų27.93%0.02619%0.194CC..Hα-helixtrans-62.6-39.1-177.4-84.1-78.7000111.6E192 H196 T198 C342 R519 A520 L524E192-F194 WeakPolarHBondContact OE1-CB 3.32Å; E192-F194 PolarHBondContact OE1-N 3.23Å; E192-F194 WeakPolarHBondContact OE2-CA 3.23Å; E192-F194 WeakPolarHBondContact OE2-CB 3.01Å; E192-F194 PolarHBondContact OE2-N 2.86Å; F194-H196 VanDerWaalsContact C-N 3.31Å; F194-H196 PolarHBondContact O-N 2.87Å; F194-T198 WeakPolarHBondContact O-CB 3.4Å; F194-T198 PolarHBondContact O-N 3.14Å; F194-T198 PolarHBondContact O-OG1 3.2Å; F194-C342 HydrophobicContact CD1-CB 4.43Å; F194-C342 HydrophobicContact CD2-CB 4.46Å; F194-C342 HydrophobicContact CE1-CB 4.1Å; F194-C342 HydrophobicContact CE2-CB 4.11Å; F194-C342 HydrophobicContact CZ-CB 3.91Å; F194-R519 HydrophobicContact CD1-CG 4.49Å; F194-R519 HydrophobicContact CE1-CG 4.02Å; F194-R519 HydrophobicContact CE2-CB 4.46Å; F194-R519 HydrophobicContact CZ-CB 4.23Å; F194-R519 HydrophobicContact CZ-CG 4.19Å; F194-A520 HydrophobicContact CE2-CB 4.45Å; F194-L524 HydrophobicContact CD2-CB 3.86Å; F194-L524 HydrophobicContact CE2-CB 3.8Å; F194-L524 HydrophobicContact CE2-CD2 4.27Å
195D92.8Very high95.7Very high96 Ų9627 Ų2751%0.51319%0.189SC..Hα-helixtrans-59.9-40.6179.6-76.5-12.8000112.4E192 M193 L199E192-D195 PolarHBondContact OE2-N 3.4Å; M193-D195 VanDerWaalsContact C-N 3.3Å; M193-D195 PolarHBondContact O-N 3.35Å; D195-L199 WeakPolarHBondContact O-CD1 3.42Å; D195-L199 VanDerWaalsContact O-CG 3.31Å; D195-L199 WeakPolarHBondContact O-CG 3.37Å
196H95.9Very high95.8Very high28 Ų2822.7 Ų22.713%0.1315%0.153CC..Hα-helixtrans-82.3-48.1-179.2-70.2-104.1000112M176 W180 E192 M193 F194 L199 M200M176-H196 HydrophobicContact CG-CB 4.4Å; M176-H196 HydrophobicContact SD-CB 4.32Å; W180-H196 AromaticContact CD1-ND1 3.65Å; W180-H196 HydrophobicContact CZ2-CB 4.24Å; W180-H196 AromaticContact NE1-CE1 3.94Å; W180-H196 AromaticContact NE1-CG 3.48Å; W180-H196 AromaticContact NE1-ND1 3.21Å; W180-H196 PolarHBondContact NE1-ND1 3.25Å; E192-H196 PolarHBondContact O-CD2 2.97Å; E192-H196 VanDerWaalsContact O-CD2 3.32Å; M193-H196 PolarHBondContact O-N 3.34Å; F194-H196 VanDerWaalsContact C-N 3.31Å; F194-H196 PolarHBondContact O-N 2.87Å; H196-L199 PolarHBondContact O-N 3.48Å; H196-M200 PolarHBondContact O-N 3.17Å
197V97.9Very high95.8Very high0 Ų021.4 Ų21.40%013%0.129CC..Hα-helixtrans-70.9-37.4-173.7178.20000111.1M176 M193 L199 M200 T201 A338 I341M176-V197 HydrophobicContact SD-CG2 4.07Å; M193-V197 HydrophobicContact CE-CG2 3.93Å; M193-V197 VanDerWaalsContact O-CB 3.31Å; M193-V197 WeakPolarHBondContact O-CB 3.48Å; M193-V197 VanDerWaalsContact O-CG2 3.24Å; M193-V197 WeakPolarHBondContact O-CG2 3.43Å; M193-V197 PolarHBondContact O-N 3.16Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 2.84Å; V197-M200 HydrophobicContact CG1-CE 4.2Å; V197-M200 PolarHBondContact O-N 3.48Å; V197-T201 HydrophobicContact CG1-CG2 4.31Å; V197-T201 WeakPolarHBondContact O-CG2 3.37Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.25Å; V197-A338 HydrophobicContact CG1-CB 4.23Å; V197-I341 HydrophobicContact CG1-CB 3.8Å; V197-I341 HydrophobicContact CG1-CD1 4.26Å; V197-I341 HydrophobicContact CG1-CG2 3.66Å; V197-I341 HydrophobicContact CG2-CG2 4.35Å
198T96.9Very high95.8Very high1 Ų118.7 Ų18.71%0.00610%0.101CC..Hα-helixtrans-61.9-39175.7-65.70000112.1F194 T201 L202 V224 A338F194-T198 WeakPolarHBondContact O-CB 3.4Å; F194-T198 PolarHBondContact O-N 3.14Å; F194-T198 PolarHBondContact O-OG1 3.2Å; T198-T201 PolarHBondContact O-OG1 2.79Å; T198-L202 VanDerWaalsContact O-CB 3.3Å; T198-L202 WeakPolarHBondContact O-CB 3.46Å; T198-L202 PolarHBondContact O-N 3.2Å; T198-V224 HydrophobicContact CG2-CG1 3.73Å; T198-V224 HydrophobicContact CG2-CG2 4.17Å; T198-A338 WeakPolarHBondContact OG1-CB 3.37Å
199L97.1Very high95.7Very high21 Ų2115.7 Ų15.711%0.118%0.083CC..Hα-helixtrans-70-37.2175.6-65.1173.7000111.7D195 H196 V197 L202 D203 Q217 V224D195-L199 WeakPolarHBondContact O-CD1 3.42Å; D195-L199 VanDerWaalsContact O-CG 3.31Å; D195-L199 WeakPolarHBondContact O-CG 3.37Å; H196-L199 PolarHBondContact O-N 3.48Å; V197-L199 VanDerWaalsContact C-N 3.32Å; V197-L199 PolarHBondContact O-N 2.84Å; L199-L202 PolarHBondContact O-N 3.27Å; L199-D203 VanDerWaalsContact O-CB 3.32Å; L199-D203 WeakPolarHBondContact O-CB 3.41Å; L199-D203 PolarHBondContact O-N 3.24Å; L199-Q217 HydrophobicContact CB-CG 4.3Å; L199-V224 HydrophobicContact CD2-CG2 4.04Å
200M98.1Very high95.6Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-64.9-47.1177.3-178.4-75.8-60.700112S172 M176 H196 V197 L202 D203 S204 I341 V485S172-M200 WeakPolarHBondContact O-CG 3.4Å; M176-M200 HydrophobicContact CB-CB 4.19Å; M176-M200 HydrophobicContact CB-CG 4Å; M176-M200 HydrophobicContact CE-CG 4.46Å; M176-M200 HydrophobicContact CG-CB 4.39Å; M176-M200 HydrophobicContact SD-CB 3.75Å; M176-M200 HydrophobicContact SD-CG 4Å; H196-M200 PolarHBondContact O-N 3.17Å; V197-M200 HydrophobicContact CG1-CE 4.2Å; V197-M200 PolarHBondContact O-N 3.48Å; M200-L202 VanDerWaalsContact C-N 3.33Å; M200-L202 PolarHBondContact O-N 3.31Å; M200-D203 PolarHBondContact O-N 3.47Å; M200-S204 PolarHBondContact O-N 3.27Å; M200-I341 HydrophobicContact CE-CD1 3.98Å; M200-V485 HydrophobicContact CE-CB 4.25Å; M200-V485 HydrophobicContact CE-CG1 3.66Å; M200-V485 HydrophobicContact CE-CG2 3.54Å; M200-V485 HydrophobicContact SD-CG2 3.95Å
201T98.1Very high95.5Very high0 Ų012.8 Ų12.80%07%0.068CC..Hα-helixtrans-68.5-33.2177.860.80000111.8V197 T198 L205 H334 T337 A338 I341V197-T201 HydrophobicContact CG1-CG2 4.31Å; V197-T201 WeakPolarHBondContact O-CG2 3.37Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.25Å; T198-T201 PolarHBondContact O-OG1 2.79Å; T201-L205 VanDerWaalsContact O-CB 3.23Å; T201-L205 WeakPolarHBondContact O-CB 3.24Å; T201-L205 PolarHBondContact O-N 3.18Å; T201-H334 PolarHBondContact OG1-O 2.77Å; T201-T337 WeakPolarHBondContact CG2-OG1 3.32Å; T201-A338 HydrophobicContact CG2-CB 4.31Å; T201-I341 HydrophobicContact CG2-CD1 3.77Å
202L97.4Very high95.4Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-64.3-46.9172.9178.761.2000111.3T198 L199 M200 S204 L205 L206 Y223 V224 M330 H334T198-L202 VanDerWaalsContact O-CB 3.3Å; T198-L202 WeakPolarHBondContact O-CB 3.46Å; T198-L202 PolarHBondContact O-N 3.2Å; L199-L202 PolarHBondContact O-N 3.27Å; M200-L202 VanDerWaalsContact C-N 3.33Å; M200-L202 PolarHBondContact O-N 3.31Å; L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 2.84Å; L202-L205 PolarHBondContact O-N 2.81Å; L202-L206 HydrophobicContact CD1-CD1 3.86Å; L202-L206 HydrophobicContact CD1-CG 4.02Å; L202-L206 HydrophobicContact CG-CD1 3.84Å; L202-L206 HydrophobicContact CG-CG 4.4Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.18Å; L202-L206 PolarHBondContact O-N 3.21Å; L202-Y223 HydrophobicContact CD1-CD1 4.24Å; L202-Y223 HydrophobicContact CD1-CE1 3.91Å; L202-Y223 HydrophobicContact CD2-CD1 3.85Å; L202-Y223 HydrophobicContact CD2-CE1 4.33Å; L202-V224 HydrophobicContact CD2-CG2 3.62Å; L202-M330 HydrophobicContact CD1-CG 4.41Å; L202-H334 HydrophobicContact CB-CB 4.25Å
203D96.5Very high95.2Very high3 Ų320.7 Ų20.72%0.01610%0.103CC..Hα-helixtrans-60.4-45177.117858.2000111.5S172 L199 M200 L206 K207 Q217S172-D203 WeakPolarHBondContact CB-OD2 3.38Å; S172-D203 PolarHBondContact OG-OD2 2.94Å; L199-D203 VanDerWaalsContact O-CB 3.32Å; L199-D203 WeakPolarHBondContact O-CB 3.41Å; L199-D203 PolarHBondContact O-N 3.24Å; M200-D203 PolarHBondContact O-N 3.47Å; D203-L206 PolarHBondContact O-N 2.97Å; D203-K207 WeakPolarHBondContact O-CG 3.38Å; D203-K207 PolarHBondContact O-N 3.43Å; D203-K207 WeakPolarHBondContact OD1-CE 3.25Å; D203-K207 IonicContact OD1-NZ 2.95Å; D203-K207 PolarHBondContact OD1-NZ 3.12Å; D203-K207 WeakPolarHBondContact OD2-CE 3.49Å; D203-K207 IonicContact OD2-NZ 3.27Å; D203-K207 PolarHBondContact OD2-NZ 3.49Å; D203-Q217 HydrophobicContact CB-CG 3.91Å; D203-Q217 PolarHBondContact OD2-NE2 2.92Å
204S96.6Very high94.8Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-63.8-46177.3-166.60000112.3F169 S172 M200 L202 L206 K207 C208 E481F169-S204 WeakPolarHBondContact CD1-OG 3.46Å; F169-S204 VanDerWaalsContact CE1-OG 3.32Å; F169-S204 WeakPolarHBondContact CE1-OG 3.35Å; S172-S204 PolarHBondContact OG-N 3.19Å; M200-S204 PolarHBondContact O-N 3.27Å; L202-S204 VanDerWaalsContact C-N 3.35Å; L202-S204 PolarHBondContact O-N 2.84Å; S204-L206 PolarHBondContact O-N 3.16Å; S204-K207 PolarHBondContact O-N 3.45Å; S204-C208 WeakPolarHBondContact O-CB 3.37Å; S204-C208 PolarHBondContact O-N 2.76Å; S204-C208 PolarHBondContact O-SG 3.2Å; S204-E481 WeakPolarHBondContact CB-OE1 3.41Å
205L96.8Very high94.4Very high9 Ų926.6 Ų26.65%0.04714%0.137CC..Hα-helixtrans-60.3-44.1177-179.869000112T201 L202 C208 A209 F210 M330 H334 F477T201-L205 VanDerWaalsContact O-CB 3.23Å; T201-L205 WeakPolarHBondContact O-CB 3.24Å; T201-L205 PolarHBondContact O-N 3.18Å; L202-L205 PolarHBondContact O-N 2.81Å; L205-C208 PolarHBondContact O-N 3.35Å; L205-A209 HydrophobicContact CD1-CB 3.89Å; L205-A209 WeakPolarHBondContact O-CB 3.49Å; L205-A209 PolarHBondContact O-N 2.88Å; L205-F210 HydrophobicContact CG-CE2 4.45Å; L205-M330 VanDerWaalsContact CD2-O 3.27Å; L205-M330 WeakPolarHBondContact CD2-O 3.32Å; L205-H334 HydrophobicContact CB-CB 4.45Å; L205-H334 HydrophobicContact CD2-CB 3.96Å; L205-F477 HydrophobicContact CD1-CE1 4.37Å; L205-F477 HydrophobicContact CD1-CZ 4.22Å
206L95.9Very high94.3Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-63.7-42179.9-74.8171.2000111.4L202 D203 S204 F210 S211 Y212 F268 M330L202-L206 HydrophobicContact CD1-CD1 3.86Å; L202-L206 HydrophobicContact CD1-CG 4.02Å; L202-L206 HydrophobicContact CG-CD1 3.84Å; L202-L206 HydrophobicContact CG-CG 4.4Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.24Å; L202-L206 WeakPolarHBondContact O-CG 3.18Å; L202-L206 PolarHBondContact O-N 3.21Å; D203-L206 PolarHBondContact O-N 2.97Å; S204-L206 PolarHBondContact O-N 3.16Å; L206-F210 HydrophobicContact CD2-CB 4.25Å; L206-F210 HydrophobicContact CD2-CD2 4.21Å; L206-F210 HydrophobicContact CD2-CG 4.35Å; L206-F210 CarbonylContact O-C 3.29Å; L206-F210 VanDerWaalsContact O-C 3.26Å; L206-F210 WeakPolarHBondContact O-CA 3.05Å; L206-F210 WeakPolarHBondContact O-CB 3.34Å; L206-F210 PolarHBondContact O-N 3.21Å; L206-F210 VanDerWaalsContact O-N 3.13Å; L206-S211 PolarHBondContact O-N 3.28Å; L206-Y212 CarbonylContact C-O 3.46Å; L206-Y212 HydrophobicContact CB-CD1 4.28Å; L206-Y212 WeakPolarHBondContact CB-O 3.27Å; L206-Y212 HydrophobicContact CD1-CD1 4.14Å; L206-Y212 HydrophobicContact CD2-CD1 4.22Å; L206-Y212 HydrophobicContact CG-CD1 4.46Å; L206-Y212 PolarHBondContact O-N 2.93Å; L206-F268 HydrophobicContact CD1-CE1 4.29Å; L206-F268 HydrophobicContact CD1-CZ 3.98Å; L206-F268 HydrophobicContact CD2-CE1 4.23Å; L206-M330 HydrophobicContact CD2-CE 4.1Å; L206-M330 HydrophobicContact CD2-CG 4.43Å; L206-M330 HydrophobicContact CD2-SD 4.11Å
207K94.8Very high94.2Very high37 Ų3721.4 Ų21.416%0.16111%0.111CC..Hα-helixtrans-65.8-46.8176.1-72.5169177.3168.50112T168 S172 D203 S204 S211 Y212T168-K207 HydrophobicContact CG2-CB 3.38Å; T168-K207 HydrophobicContact CG2-CD 3.79Å; T168-K207 HydrophobicContact CG2-CG 4.25Å; S172-K207 PolarHBondContact OG-NZ 3.14Å; D203-K207 WeakPolarHBondContact O-CG 3.38Å; D203-K207 PolarHBondContact O-N 3.43Å; D203-K207 WeakPolarHBondContact OD1-CE 3.25Å; D203-K207 IonicContact OD1-NZ 2.95Å; D203-K207 PolarHBondContact OD1-NZ 3.12Å; D203-K207 WeakPolarHBondContact OD2-CE 3.49Å; D203-K207 IonicContact OD2-NZ 3.27Å; D203-K207 PolarHBondContact OD2-NZ 3.49Å; S204-K207 PolarHBondContact O-N 3.45Å; K207-S211 WeakPolarHBondContact O-CA 3.35Å; K207-S211 PolarHBondContact O-N 3.49Å; K207-Y212 PolarHBondContact N-O 3.37Å
208C93.4Very high93.6Very high1 Ų126.3 Ų26.31%0.00713%0.134CC..Hα-helixtrans-73.4-56.6-176.6-67.50000113Y165 T168 S204 L205 D301 F477Y165-C208 VanDerWaalsContact CB-SG 3.52Å; Y165-C208 HydrophobicContact CD1-CB 3.59Å; Y165-C208 VanDerWaalsContact CD1-SG 3.6Å; Y165-C208 HydrophobicContact CD2-CB 3.89Å; Y165-C208 HydrophobicContact CE1-CB 3.76Å; Y165-C208 VanDerWaalsContact CE1-O 3.23Å; Y165-C208 WeakPolarHBondContact CE1-O 3.18Å; Y165-C208 HydrophobicContact CE2-CB 4.04Å; Y165-C208 HydrophobicContact CG-CB 3.67Å; Y165-C208 VanDerWaalsContact CG-SG 3.53Å; Y165-C208 PolarHBondContact OH-O 2.87Å; T168-C208 VanDerWaalsContact CB-SG 3.51Å; T168-C208 WeakPolarHBondContact CG2-SG 3.34Å; S204-C208 WeakPolarHBondContact O-CB 3.37Å; S204-C208 PolarHBondContact O-N 2.76Å; S204-C208 PolarHBondContact O-SG 3.2Å; L205-C208 PolarHBondContact O-N 3.35Å; C208-D301 WeakPolarHBondContact O-CB 3.48Å; C208-F477 HydrophobicContact CB-CE2 3.78Å; C208-F477 HydrophobicContact CB-CZ 4.16Å
209A92.6Very high92.8Very high7 Ų729.9 Ų29.96%0.05816%0.158CC..Hα-helixtrans-90.4-26.9-169.600000113L205 F302 V303L205-A209 HydrophobicContact CD1-CB 3.89Å; L205-A209 WeakPolarHBondContact O-CB 3.49Å; L205-A209 PolarHBondContact O-N 2.88Å; A209-F302 HydrophobicContact CB-CB 3.94Å; A209-F302 HydrophobicContact CB-CD1 4.49Å; A209-F302 WeakPolarHBondContact O-CB 3.35Å; A209-F302 PolarHBondContact O-N 3.4Å; A209-V303 WeakPolarHBondContact O-CB 3.38Å; A209-V303 WeakPolarHBondContact O-CG1 3.19Å; A209-V303 PolarHBondContact O-N 2.87Å
210F93.6Very high91.8Very high1 Ų135.2 Ų35.20%0.00419%0.192CC..Hα-helixtrans-113.41-174.4-66.5-88000114.3L205 L206 Y212 V272 F302 V303 A326 F329 M330L205-F210 HydrophobicContact CG-CE2 4.45Å; L206-F210 HydrophobicContact CD2-CB 4.25Å; L206-F210 HydrophobicContact CD2-CD2 4.21Å; L206-F210 HydrophobicContact CD2-CG 4.35Å; L206-F210 CarbonylContact O-C 3.29Å; L206-F210 VanDerWaalsContact O-C 3.26Å; L206-F210 WeakPolarHBondContact O-CA 3.05Å; L206-F210 WeakPolarHBondContact O-CB 3.34Å; L206-F210 PolarHBondContact O-N 3.21Å; L206-F210 VanDerWaalsContact O-N 3.13Å; F210-Y212 PolarHBondContact O-N 3.28Å; F210-V272 HydrophobicContact CB-CG1 3.82Å; F210-V272 HydrophobicContact CD1-CG1 3.92Å; F210-V272 HydrophobicContact CG-CG1 4.14Å; F210-F302 HydrophobicContact CE1-CD1 4.33Å; F210-F302 HydrophobicContact CE1-CE1 4.26Å; F210-F302 HydrophobicContact CZ-CD1 4.17Å; F210-F302 HydrophobicContact CZ-CE1 4.07Å; F210-V303 HydrophobicContact CD1-CB 4.1Å; F210-V303 HydrophobicContact CD1-CG2 4.25Å; F210-A326 HydrophobicContact CE1-CB 3.97Å; F210-F329 HydrophobicContact CZ-CB 4.34Å; F210-M330 HydrophobicContact CD1-CE 4.07Å; F210-M330 HydrophobicContact CD2-CE 4.35Å; F210-M330 HydrophobicContact CE1-CE 3.8Å; F210-M330 HydrophobicContact CE2-CB 4.06Å; F210-M330 HydrophobicContact CE2-CE 4.1Å; F210-M330 HydrophobicContact CE2-CG 4.28Å; F210-M330 HydrophobicContact CG-CE 4.33Å; F210-M330 HydrophobicContact CZ-CB 4Å; F210-M330 HydrophobicContact CZ-CE 3.82Å
211S91.8Very high91.3Very high32 Ų3236.1 Ų36.122%0.22420%0.199CC..  trans45.838.2-174.6-390000111.9L206 K207 D301L206-S211 PolarHBondContact O-N 3.28Å; K207-S211 WeakPolarHBondContact O-CA 3.35Å; K207-S211 PolarHBondContact O-N 3.49Å; S211-D301 PolarHBondContact OG-OD2 3.31Å
212Y92.5Very high91Very high52 Ų5243.5 Ų43.520%0.20423%0.233CC..  trans-121.6127.6-169.7-175.8-91.6000110.7L206 K207 F210 F268 V272 M275L206-Y212 CarbonylContact C-O 3.46Å; L206-Y212 HydrophobicContact CB-CD1 4.28Å; L206-Y212 WeakPolarHBondContact CB-O 3.27Å; L206-Y212 HydrophobicContact CD1-CD1 4.14Å; L206-Y212 HydrophobicContact CD2-CD1 4.22Å; L206-Y212 HydrophobicContact CG-CD1 4.46Å; L206-Y212 PolarHBondContact O-N 2.93Å; K207-Y212 PolarHBondContact N-O 3.37Å; F210-Y212 PolarHBondContact O-N 3.28Å; Y212-F268 HydrophobicContact CE1-CZ 4.48Å; Y212-V272 HydrophobicContact CD1-CG2 4.1Å; Y212-V272 HydrophobicContact CD2-CB 4.28Å; Y212-V272 HydrophobicContact CD2-CG1 4.05Å; Y212-V272 HydrophobicContact CD2-CG2 3.87Å; Y212-V272 HydrophobicContact CE1-CG2 4.12Å; Y212-V272 HydrophobicContact CE2-CG2 3.93Å; Y212-V272 HydrophobicContact CG-CG1 4.05Å; Y212-V272 HydrophobicContact CG-CG2 3.99Å; Y212-M275 HydrophobicContact CD2-CE 3.22Å; Y212-M275 HydrophobicContact CD2-SD 4.2Å; Y212-M275 HydrophobicContact CE2-CE 3.35Å; Y212-M275 HydrophobicContact CE2-SD 3.74Å; Y212-M275 HydrophobicContact CG-CE 4.38Å
213Q90.4Very high90.8Very high140 Ų14043.7 Ų43.765%0.65423%0.234SC*.  trans-103.7102.5-179.5-162.3162.49.100110
214S86.2Confident90.6Very high29 Ų2944.1 Ų44.120%0.20324%0.236CC..  trans-90.2-27.5-173.665.40000114.3C216S214-C216 PolarHBondContact O-N 2.9Å; S214-C216 VanDerWaalsContact O-N 3.14Å; S214-C216 WeakPolarHBondContact OG-CB 3.27Å; S214-C216 PolarHBondContact OG-N 2.84Å; S214-C216 PolarHBondContact OG-SG 3Å
215N87.7Confident90.5Very high101 Ų10147.7 Ų47.754%0.5426%0.261SS..  trans51.328.3-166.6-57-41000113Q217 E218N215-Q217 PolarHBondContact O-N 2.87Å; N215-Q217 VanDerWaalsContact O-N 3.09Å; N215-E218 PolarHBondContact O-N 2.83Å
216C90.9Very high90.4Very high9 Ų947.6 Ų47.66%0.06126%0.262CS..THydrogen-bonded Turntrans-68.8-8.5-172.166.20000114.6S214 E218S214-C216 PolarHBondContact O-N 2.9Å; S214-C216 VanDerWaalsContact O-N 3.14Å; S214-C216 WeakPolarHBondContact OG-CB 3.27Å; S214-C216 PolarHBondContact OG-N 2.84Å; S214-C216 PolarHBondContact OG-SG 3Å; C216-E218 VanDerWaalsContact C-N 3.34Å
217Q92.9Very high90.4Very high7 Ų747.7 Ų47.73%0.03326%0.263CS..THydrogen-bonded Turntrans-74.5-21.8178.1-59.3-166.942.100113.9S172 T175 M176 K179 L199 D203 N215S172-Q217 PolarHBondContact O-NE2 3.19Å; S172-Q217 PolarHBondContact O-OE1 3.18Å; T175-Q217 HydrophobicContact CG2-CB 3.99Å; T175-Q217 HydrophobicContact CG2-CG 4.38Å; M176-Q217 VanDerWaalsContact N-OE1 3.15Å; K179-Q217 PolarHBondContact NZ-O 3.37Å; L199-Q217 HydrophobicContact CB-CG 4.3Å; D203-Q217 HydrophobicContact CB-CG 3.91Å; D203-Q217 PolarHBondContact OD2-NE2 2.92Å; N215-Q217 PolarHBondContact O-N 2.87Å; N215-Q217 VanDerWaalsContact O-N 3.09Å
218E85Confident90.3Very high103 Ų10348.4 Ų48.448%0.48127%0.267SS..SBendtrans-92.3-11.4-177.3-62.8-63.6147.500113.1R182 N215 C216R182-E218 IonicContact NH1-OE2 3.74Å; R182-E218 IonicContact NH2-OE1 3.43Å; R182-E218 PolarHBondContact NH2-OE1 3.01Å; R182-E218 IonicContact NH2-OE2 3.31Å; R182-E218 PolarHBondContact NH2-OE2 3.18Å; R182-E218 VanDerWaalsContact NH2-OE2 3.1Å; N215-E218 PolarHBondContact O-N 2.83Å; C216-E218 VanDerWaalsContact C-N 3.34Å
219S79.7Confident90.4Very high75 Ų7551.3 Ų51.352%0.52428%0.281SS..SBendtrans-141163.5-177.767.90000112.9S221S219-S221 PolarHBondContact O-N 3.36Å
220T77.1Confident90.6Very high134 Ų13451 Ų5182%0.82228%0.278SS*.  trans-67.512617753.30000110.7
221S87.1Confident90.5Very high19 Ų1951 Ų5113%0.13328%0.278CS..  trans-93.2109.9179.9179.90000111.7S219 Y223 V224 S225S219-S221 PolarHBondContact O-N 3.36Å; S221-Y223 PolarHBondContact O-N 2.91Å; S221-V224 PolarHBondContact O-N 3.44Å; S221-V224 VanDerWaalsContact O-N 3.11Å; S221-V224 PolarHBondContact OG-N 2.95Å; S221-S225 PolarHBondContact O-N 3.14Å; S221-S225 PolarHBondContact O-OG 3.43Å
222Q92.1Very high90.6Very high154 Ų15453.3 Ų53.372%0.7229%0.288SS*.Hα-helixtrans-57-31.1172.8-66.8-176.88.500112.2A226 V264Q222-A226 WeakPolarHBondContact O-CB 3.45Å; Q222-A226 PolarHBondContact O-N 3.45Å; Q222-V264 HydrophobicContact CB-CG1 4.33Å
223Y92.9Very high90.8Very high4 Ų451.3 Ų51.32%0.01628%0.281CS..Hα-helixtrans-62.9-47.5176.1175.7-96.4000111.8L202 S221 A226 I227 V265 F268 T269 M330L202-Y223 HydrophobicContact CD1-CD1 4.24Å; L202-Y223 HydrophobicContact CD1-CE1 3.91Å; L202-Y223 HydrophobicContact CD2-CD1 3.85Å; L202-Y223 HydrophobicContact CD2-CE1 4.33Å; S221-Y223 PolarHBondContact O-N 2.91Å; Y223-A226 PolarHBondContact O-N 3.34Å; Y223-I227 HydrophobicContact CD1-CD1 4.03Å; Y223-I227 HydrophobicContact CE1-CD1 3.3Å; Y223-I227 HydrophobicContact CE1-CG1 4.28Å; Y223-I227 HydrophobicContact CE2-CD1 4.21Å; Y223-I227 PolarHBondContact O-N 3.37Å; Y223-I227 WeakPolarHBondContact OH-CD1 3.42Å; Y223-V265 HydrophobicContact CD2-CG1 4.47Å; Y223-V265 HydrophobicContact CD2-CG2 4.28Å; Y223-V265 HydrophobicContact CE2-CB 4.34Å; Y223-V265 HydrophobicContact CE2-CG1 3.81Å; Y223-V265 HydrophobicContact CE2-CG2 4.32Å; Y223-F268 HydrophobicContact CD1-CD1 4.44Å; Y223-F268 HydrophobicContact CD1-CE1 4.43Å; Y223-F268 HydrophobicContact CD2-CB 3.71Å; Y223-F268 AromaticContact CD2-CD1 3.3Å; Y223-F268 HydrophobicContact CD2-CD1 3.3Å; Y223-F268 HydrophobicContact CD2-CE1 4.06Å; Y223-F268 AromaticContact CD2-CG 3.6Å; Y223-F268 HydrophobicContact CD2-CG 3.6Å; Y223-F268 HydrophobicContact CE2-CB 4.35Å; Y223-F268 AromaticContact CE2-CD1 3.57Å; Y223-F268 HydrophobicContact CE2-CD1 3.57Å; Y223-F268 HydrophobicContact CE2-CE1 4.29Å; Y223-F268 HydrophobicContact CE2-CG 4.26Å; Y223-F268 AromaticContact CG-CD1 3.77Å; Y223-F268 HydrophobicContact CG-CD1 3.77Å; Y223-F268 HydrophobicContact CG-CE1 4.12Å; Y223-F268 HydrophobicContact CG-CG 4.07Å; Y223-T269 HydrophobicContact CE2-CG2 4.07Å; Y223-M330 HydrophobicContact CE1-CG 4.22Å; Y223-M330 HydrophobicContact CE1-SD 4.2Å; Y223-M330 HydrophobicContact CE2-SD 3.82Å; Y223-M330 VanDerWaalsContact CZ-SD 3.51Å; Y223-M330 WeakPolarHBondContact OH-CB 3.41Å; Y223-M330 WeakPolarHBondContact OH-CG 3.28Å; Y223-M330 PolarHBondContact OH-SD 2.86Å
224V92.5Very high90.9Very high12 Ų1244.8 Ų44.87%0.07325%0.251CS..Hα-helixtrans-63.9-46.2179.2172.60000110.8T198 L199 L202 S221 A226 I227 M228T198-V224 HydrophobicContact CG2-CG1 3.73Å; T198-V224 HydrophobicContact CG2-CG2 4.17Å; L199-V224 HydrophobicContact CD2-CG2 4.04Å; L202-V224 HydrophobicContact CD2-CG2 3.62Å; S221-V224 PolarHBondContact O-N 3.44Å; S221-V224 VanDerWaalsContact O-N 3.11Å; S221-V224 PolarHBondContact OG-N 2.95Å; V224-A226 VanDerWaalsContact C-N 3.29Å; V224-A226 PolarHBondContact O-N 3.03Å; V224-I227 PolarHBondContact O-N 3.46Å; V224-I227 VanDerWaalsContact O-N 3.12Å; V224-M228 HydrophobicContact CG1-CE 3.75Å; V224-M228 PolarHBondContact O-N 2.91Å
225S93.8Very high91.2Very high75 Ų7544.1 Ų44.152%0.52424%0.244SC..Hα-helixtrans-59.2-40.9176.9-54.30000112.1S221 I227 M228 E229S221-S225 PolarHBondContact O-N 3.14Å; S221-S225 PolarHBondContact O-OG 3.43Å; S225-I227 PolarHBondContact O-N 2.93Å; S225-M228 PolarHBondContact O-N 3.4Å; S225-E229 PolarHBondContact O-N 3.33Å
226A96.3Very high91.3Very high8 Ų841.6 Ų41.67%0.06623%0.231CC..Hα-helixtrans-65.6-35.8176.600000112.6Q222 Y223 V224 E229 L230 A261 V264 V265Q222-A226 WeakPolarHBondContact O-CB 3.45Å; Q222-A226 PolarHBondContact O-N 3.45Å; Y223-A226 PolarHBondContact O-N 3.34Å; V224-A226 VanDerWaalsContact C-N 3.29Å; V224-A226 PolarHBondContact O-N 3.03Å; A226-E229 PolarHBondContact O-N 3.05Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.3Å; A226-A261 HydrophobicContact CB-CB 4.29Å; A226-V264 HydrophobicContact CB-CB 3.99Å; A226-V264 HydrophobicContact CB-CG1 3.91Å; A226-V265 HydrophobicContact CB-CG2 3.74Å
227I94.5Very high91.3Very high2 Ų241.2 Ų41.21%0.0123%0.228CC..Hα-helixtrans-65.6-42.7174.1-75-173.7000112W133 Y223 V224 S225 E229 L230 S231 V265 F331W133-I227 HydrophobicContact CH2-CG2 4.26Å; W133-I227 HydrophobicContact CZ2-CD1 4.2Å; W133-I227 HydrophobicContact CZ2-CG1 3.97Å; W133-I227 HydrophobicContact CZ2-CG2 4.49Å; Y223-I227 HydrophobicContact CD1-CD1 4.03Å; Y223-I227 HydrophobicContact CE1-CD1 3.3Å; Y223-I227 HydrophobicContact CE1-CG1 4.28Å; Y223-I227 HydrophobicContact CE2-CD1 4.21Å; Y223-I227 PolarHBondContact O-N 3.37Å; Y223-I227 WeakPolarHBondContact OH-CD1 3.42Å; V224-I227 PolarHBondContact O-N 3.46Å; V224-I227 VanDerWaalsContact O-N 3.12Å; S225-I227 PolarHBondContact O-N 2.93Å; I227-E229 VanDerWaalsContact C-N 3.33Å; I227-L230 PolarHBondContact O-N 2.67Å; I227-S231 WeakPolarHBondContact O-CB 3.36Å; I227-S231 PolarHBondContact O-N 3.43Å; I227-S231 PolarHBondContact O-OG 2.92Å; I227-V265 HydrophobicContact CG1-CG2 4Å; I227-F331 HydrophobicContact CG2-CD2 4.16Å; I227-F331 HydrophobicContact CG2-CE2 4.41Å
228M92.6Very high90.9Very high51 Ų5144 Ų4425%0.25124%0.238SC..Hα-helixtrans-60.2-46.7176.1-65.9-168.8-172.700110.4V224 S225 L230 S231 D232 R519V224-M228 HydrophobicContact CG1-CE 3.75Å; V224-M228 PolarHBondContact O-N 2.91Å; S225-M228 PolarHBondContact O-N 3.4Å; M228-L230 PolarHBondContact O-N 3.5Å; M228-S231 WeakPolarHBondContact O-CB 3.39Å; M228-S231 PolarHBondContact O-N 3.43Å; M228-S231 VanDerWaalsContact O-N 3.14Å; M228-D232 PolarHBondContact O-N 3.47Å; M228-R519 VanDerWaalsContact CE-NH1 3.25Å
229E96Very high90.8Very high62 Ų6242.1 Ų42.129%0.2923%0.229SC..Hα-helixtrans-63.7-41.1177.9-179.5151.3-163.800112.9S225 A226 I227 S231 D232 L233 R257 A261S225-E229 PolarHBondContact O-N 3.33Å; A226-E229 PolarHBondContact O-N 3.05Å; I227-E229 VanDerWaalsContact C-N 3.33Å; E229-S231 VanDerWaalsContact C-N 3.3Å; E229-S231 PolarHBondContact O-N 2.9Å; E229-D232 PolarHBondContact O-N 3.04Å; E229-L233 HydrophobicContact CG-CD1 3.75Å; E229-L233 HydrophobicContact CG-CG 4.31Å; E229-L233 WeakPolarHBondContact O-CB 3.47Å; E229-L233 WeakPolarHBondContact O-CD1 3.48Å; E229-L233 WeakPolarHBondContact O-CG 3.4Å; E229-L233 PolarHBondContact O-N 3.35Å; E229-R257 IonicContact OE1-CZ 3.51Å; E229-R257 IonicContact OE1-NE 2.73Å; E229-R257 PolarHBondContact OE1-NE 2.9Å; E229-R257 IonicContact OE1-NH2 3.43Å; E229-R257 PolarHBondContact OE1-NH2 3.22Å; E229-A261 HydrophobicContact CG-CB 4.44Å
230L96.1Very high91.1Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-59.8-42.4173-73.1172.9000111.5W133 A226 I227 M228 L234 F258 A261 L262 V265W133-L230 HydrophobicContact CD2-CD1 3.98Å; W133-L230 HydrophobicContact CE3-CD1 4.48Å; W133-L230 HydrophobicContact CG-CD1 4.16Å; W133-L230 HydrophobicContact CZ2-CD1 4.34Å; A226-L230 WeakPolarHBondContact O-CB 3.48Å; A226-L230 VanDerWaalsContact O-CG 3.25Å; A226-L230 WeakPolarHBondContact O-CG 3.46Å; A226-L230 PolarHBondContact O-N 3.3Å; I227-L230 PolarHBondContact O-N 2.67Å; M228-L230 PolarHBondContact O-N 3.5Å; L230-L234 WeakPolarHBondContact O-CB 3.37Å; L230-L234 WeakPolarHBondContact O-CD1 3.32Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 3.32Å; L230-F258 HydrophobicContact CB-CE2 4.37Å; L230-F258 HydrophobicContact CD2-CD1 4.31Å; L230-F258 HydrophobicContact CD2-CD2 3.52Å; L230-F258 HydrophobicContact CD2-CE1 4.25Å; L230-F258 HydrophobicContact CD2-CE2 3.36Å; L230-F258 HydrophobicContact CD2-CG 4.01Å; L230-F258 HydrophobicContact CD2-CZ 3.79Å; L230-F258 HydrophobicContact CG-CE2 4.46Å; L230-A261 HydrophobicContact CD2-CB 3.77Å; L230-A261 HydrophobicContact CG-CB 3.78Å; L230-L262 HydrophobicContact CD1-CD2 4.16Å; L230-L262 HydrophobicContact CD2-CD2 3.89Å; L230-L262 HydrophobicContact CD2-CG 3.95Å; L230-V265 HydrophobicContact CD1-CB 4.36Å; L230-V265 HydrophobicContact CD1-CG2 3.86Å
231S93.4Very high91.4Very high2 Ų240.9 Ų40.91%0.01420%0.202CC..Hα-helixtrans-63.2-47.1179.8-610000111.4I227 M228 E229 L234 I235I227-S231 WeakPolarHBondContact O-CB 3.36Å; I227-S231 PolarHBondContact O-N 3.43Å; I227-S231 PolarHBondContact O-OG 2.92Å; M228-S231 WeakPolarHBondContact O-CB 3.39Å; M228-S231 PolarHBondContact O-N 3.43Å; M228-S231 VanDerWaalsContact O-N 3.14Å; E229-S231 VanDerWaalsContact C-N 3.3Å; E229-S231 PolarHBondContact O-N 2.9Å; S231-L234 PolarHBondContact O-N 3.03Å; S231-I235 VanDerWaalsContact O-CG1 3.25Å; S231-I235 WeakPolarHBondContact O-CG1 3.33Å; S231-I235 PolarHBondContact O-N 2.76Å
232D93.4Very high91.4Very high80 Ų8044.7 Ų44.743%0.42822%0.22SC..Hα-helixtrans-60.8-48177.1-77.4-31.9000112.3M228 E229 L234 I235 D236 Q515M228-D232 PolarHBondContact O-N 3.47Å; E229-D232 PolarHBondContact O-N 3.04Å; D232-L234 VanDerWaalsContact C-N 3.29Å; D232-L234 PolarHBondContact O-N 3.48Å; D232-I235 PolarHBondContact O-N 3.12Å; D232-D236 PolarHBondContact O-N 3.03Å; D232-Q515 PolarHBondContact OD1-NE2 3.04Å
233L95.4Very high91.3Very high10 Ų1038.3 Ų38.35%0.05219%0.19CC..Hα-helixtrans-63.4-36179.9-69.2169.9000111.9E229 R237 Q254 R257 F258E229-L233 HydrophobicContact CG-CD1 3.75Å; E229-L233 HydrophobicContact CG-CG 4.31Å; E229-L233 WeakPolarHBondContact O-CB 3.47Å; E229-L233 WeakPolarHBondContact O-CD1 3.48Å; E229-L233 WeakPolarHBondContact O-CG 3.4Å; E229-L233 PolarHBondContact O-N 3.35Å; L233-R237 WeakPolarHBondContact O-CB 3.49Å; L233-R237 PolarHBondContact O-N 3.38Å; L233-Q254 HydrophobicContact CD2-CB 3.96Å; L233-Q254 HydrophobicContact CD2-CG 4.21Å; L233-R257 HydrophobicContact CD1-CB 4Å; L233-F258 HydrophobicContact CB-CD2 3.92Å; L233-F258 HydrophobicContact CD1-CB 3.98Å; L233-F258 HydrophobicContact CD1-CD2 4.14Å
234L94.1Very high91Very high4 Ų438.9 Ų38.92%0.02119%0.193CC..Hα-helixtrans-68.2-37.5175.6-76.7163.6000112.5H129 L130 W133 L230 S231 D232 R238 F258 L516H129-L234 HydrophobicContact CB-CD2 3.75Å; H129-L234 WeakPolarHBondContact O-CD2 3.44Å; L130-L234 HydrophobicContact CD2-CD1 3.56Å; W133-L234 HydrophobicContact CE3-CD1 4.1Å; W133-L234 HydrophobicContact CZ3-CD1 4.27Å; L230-L234 WeakPolarHBondContact O-CB 3.37Å; L230-L234 WeakPolarHBondContact O-CD1 3.32Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 3.32Å; S231-L234 PolarHBondContact O-N 3.03Å; D232-L234 VanDerWaalsContact C-N 3.29Å; D232-L234 PolarHBondContact O-N 3.48Å; L234-R238 WeakPolarHBondContact O-CG 3.42Å; L234-R238 PolarHBondContact O-N 2.83Å; L234-F258 HydrophobicContact CD1-CE2 4.14Å; L234-F258 HydrophobicContact CD1-CZ 4.45Å; L234-F258 HydrophobicContact CD2-CE2 3.95Å; L234-F258 HydrophobicContact CD2-CZ 4.07Å; L234-F258 HydrophobicContact CG-CE2 3.71Å; L234-F258 HydrophobicContact CG-CZ 4.24Å; L234-L516 HydrophobicContact CD1-CD1 3.86Å
235I91.4Very high90.8Very high14 Ų1442.9 Ų42.97%0.07221%0.207CC..Hα-helixtrans-71.1-47.5178.4-67.1-69.5000110.6S71 S231 D232 R237 R238 F239 Q515S71-I235 VanDerWaalsContact OG-CG2 3.25Å; S71-I235 WeakPolarHBondContact OG-CG2 3.2Å; S231-I235 VanDerWaalsContact O-CG1 3.25Å; S231-I235 WeakPolarHBondContact O-CG1 3.33Å; S231-I235 PolarHBondContact O-N 2.76Å; D232-I235 PolarHBondContact O-N 3.12Å; I235-R237 PolarHBondContact O-N 3.46Å; I235-R238 WeakPolarHBondContact O-CB 3.41Å; I235-R238 PolarHBondContact O-N 2.99Å; I235-R238 VanDerWaalsContact O-N 3.08Å; I235-F239 HydrophobicContact CG2-CE2 4.31Å; I235-F239 WeakPolarHBondContact O-CD2 3.38Å; I235-Q515 HydrophobicContact CG1-CB 4.4Å
236D90.4Very high90.8Very high49 Ų4942.9 Ų42.926%0.26220%0.201SC..Hα-helixtrans-57.4-40.3174.6177.571.2000111.3D232 R238 F239 R240D232-D236 PolarHBondContact O-N 3.03Å; D236-R238 VanDerWaalsContact C-N 3.3Å; D236-R238 PolarHBondContact O-N 3.43Å; D236-F239 PolarHBondContact O-N 3.26Å; D236-R240 IonicContact OD1-CZ 3.46Å; D236-R240 VanDerWaalsContact OD1-CZ 3.31Å; D236-R240 IonicContact OD1-NE 3.52Å; D236-R240 PolarHBondContact OD1-NE 3.21Å; D236-R240 IonicContact OD1-NH2 3.31Å; D236-R240 PolarHBondContact OD1-NH2 2.99Å; D236-R240 WeakPolarHBondContact OD2-CD 3.41Å; D236-R240 IonicContact OD2-CZ 3.46Å; D236-R240 IonicContact OD2-NE 3.58Å; D236-R240 PolarHBondContact OD2-NE 2.9Å; D236-R240 IonicContact OD2-NH2 2.76Å
237R90.4Very high90.6Very high1 Ų150.5 Ų50.50%0.00423%0.228CC..Hα-helixtrans-58.9-35.4176.8-179.8167.1-166.8-167.4-2.8113.3H129 L233 I235 F239 R240 H243 Q244 D246 Y249H129-R237 PolarHBondContact CD2-NH2 2.72Å; L233-R237 WeakPolarHBondContact O-CB 3.49Å; L233-R237 PolarHBondContact O-N 3.38Å; I235-R237 PolarHBondContact O-N 3.46Å; R237-F239 VanDerWaalsContact C-N 3.29Å; R237-F239 PolarHBondContact O-N 2.96Å; R237-R240 PolarHBondContact O-N 3.05Å; R237-H243 HydrophobicContact CG-CB 3.98Å; R237-H243 VanDerWaalsContact CZ-O 3.28Å; R237-H243 PolarHBondContact NE-O 2.91Å; R237-H243 PolarHBondContact NH2-O 3.31Å; R237-Q244 PolarHBondContact O-NE2 3.33Å; R237-D246 IonicContact CZ-OD1 3.47Å; R237-D246 IonicContact NH1-OD1 3.51Å; R237-D246 PolarHBondContact NH1-OD1 3.14Å; R237-D246 IonicContact NH2-OD1 3.54Å; R237-D246 PolarHBondContact NH2-OD1 3.23Å; R237-Y249 HydrophobicContact CB-CE2 4.39Å; R237-Y249 HydrophobicContact CG-CD2 4.49Å; R237-Y249 HydrophobicContact CG-CE2 4.32Å
238R85.6Confident90.6Very high64 Ų6452.1 Ų52.124%0.24224%0.237CC..Hα-helixtrans-62.6-32.5-178.3-72.9170.4-174.5-176.31.2113.4L234 I235 D236L234-R238 WeakPolarHBondContact O-CG 3.42Å; L234-R238 PolarHBondContact O-N 2.83Å; I235-R238 WeakPolarHBondContact O-CB 3.41Å; I235-R238 PolarHBondContact O-N 2.99Å; I235-R238 VanDerWaalsContact O-N 3.08Å; D236-R238 VanDerWaalsContact C-N 3.3Å; D236-R238 PolarHBondContact O-N 3.43Å
239F82.4Confident90.8Very high65 Ų6549.8 Ų49.829%0.28523%0.225SC..Hα-helixtrans-94.4-7-175.6-62.1-75.2000113.4I235 D236 R237I235-F239 HydrophobicContact CG2-CE2 4.31Å; I235-F239 WeakPolarHBondContact O-CD2 3.38Å; D236-F239 PolarHBondContact O-N 3.26Å; R237-F239 VanDerWaalsContact C-N 3.29Å; R237-F239 PolarHBondContact O-N 2.96Å
240R86.4Confident90.8Very high117 Ų11749.6 Ų49.644%0.44222%0.222SC..  trans-105.3105.9179.7-65.8-179.7-168.9-111.53111.5D236 R237 L242 H243 Q244D236-R240 IonicContact OD1-CZ 3.46Å; D236-R240 VanDerWaalsContact OD1-CZ 3.31Å; D236-R240 IonicContact OD1-NE 3.52Å; D236-R240 PolarHBondContact OD1-NE 3.21Å; D236-R240 IonicContact OD1-NH2 3.31Å; D236-R240 PolarHBondContact OD1-NH2 2.99Å; D236-R240 WeakPolarHBondContact OD2-CD 3.41Å; D236-R240 IonicContact OD2-CZ 3.46Å; D236-R240 IonicContact OD2-NE 3.58Å; D236-R240 PolarHBondContact OD2-NE 2.9Å; D236-R240 IonicContact OD2-NH2 2.76Å; R237-R240 PolarHBondContact O-N 3.05Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.35Å; R240-H243 HydrophobicContact CB-CB 3.92Å; R240-H243 WeakPolarHBondContact CD-CE1 3.44Å; R240-H243 VanDerWaalsContact CD-ND1 3.33Å; R240-H243 WeakPolarHBondContact CD-ND1 3.25Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.39Å; R240-Q244 PolarHBondContact O-N 3Å
241I82.3Confident90.8Very high66 Ų6657 Ų5734%0.33825%0.254SS..G310 helixtrans-58.5-38.9-174-161.5162.4000113.8L66 F97 H243 Q244L66-I241 HydrophobicContact CD2-CB 4.03Å; L66-I241 HydrophobicContact CD2-CD1 4.27Å; F97-I241 HydrophobicContact CD2-CD1 4.01Å; F97-I241 HydrophobicContact CE2-CD1 3.87Å; I241-H243 VanDerWaalsContact C-N 3.29Å; I241-H243 PolarHBondContact O-N 2.9Å; I241-Q244 WeakPolarHBondContact O-CB 3.34Å; I241-Q244 WeakPolarHBondContact O-CG 3.36Å; I241-Q244 PolarHBondContact O-N 3.41Å
242L86.4Confident90.9Very high98 Ų9858.2 Ų58.251%0.51326%0.261SS..G310 helixtrans-69.2-29.4178.3-63.8-180000112.3R240 Q244 W245R240-L242 VanDerWaalsContact C-N 3.32Å; R240-L242 PolarHBondContact O-N 3.35Å; L242-Q244 PolarHBondContact O-N 3.12Å; L242-W245 HydrophobicContact CD2-CE3 4.26Å; L242-W245 HydrophobicContact CD2-CH2 4.42Å; L242-W245 HydrophobicContact CD2-CZ3 3.67Å; L242-W245 PolarHBondContact O-N 2.78Å
243H90.4Very high91.1Very high20 Ų2060.9 Ų60.99%0.09327%0.271CS..G310 helixtrans-73.5-10.1177-67.1-169.4000112.2R237 R240 I241 W245 Y249R237-H243 HydrophobicContact CG-CB 3.98Å; R237-H243 VanDerWaalsContact CZ-O 3.28Å; R237-H243 PolarHBondContact NE-O 2.91Å; R237-H243 PolarHBondContact NH2-O 3.31Å; R240-H243 HydrophobicContact CB-CB 3.92Å; R240-H243 WeakPolarHBondContact CD-CE1 3.44Å; R240-H243 VanDerWaalsContact CD-ND1 3.33Å; R240-H243 WeakPolarHBondContact CD-ND1 3.25Å; R240-H243 WeakPolarHBondContact O-CB 3.41Å; R240-H243 PolarHBondContact O-N 3.39Å; I241-H243 VanDerWaalsContact C-N 3.29Å; I241-H243 PolarHBondContact O-N 2.9Å; H243-W245 PolarHBondContact O-N 3Å; H243-Y249 HydrophobicContact CB-CD2 3.81Å; H243-Y249 HydrophobicContact CB-CE2 4.47Å; H243-Y249 AromaticContact CG-CD2 3.84Å; H243-Y249 AromaticContact ND1-CD2 3.93Å
244Q86.9Confident91.1Very high16 Ų1662.8 Ų62.88%0.07528%0.28CS..G310 helixtrans-66-24.5172.7-57.5-66.1-52.600111.7H129 R237 R240 I241 L242H129-Q244 PolarHBondContact CE1-OE1 3Å; R237-Q244 PolarHBondContact O-NE2 3.33Å; R240-Q244 PolarHBondContact O-N 3Å; I241-Q244 WeakPolarHBondContact O-CB 3.34Å; I241-Q244 WeakPolarHBondContact O-CG 3.36Å; I241-Q244 PolarHBondContact O-N 3.41Å; L242-Q244 PolarHBondContact O-N 3.12Å
245W89.1Confident91.3Very high97 Ų9762.6 Ų62.637%0.36728%0.279SS..SBendtrans-90.5111.4175.8-59-36.1000111L242 H243 W247 I248 Y249L242-W245 HydrophobicContact CD2-CE3 4.26Å; L242-W245 HydrophobicContact CD2-CH2 4.42Å; L242-W245 HydrophobicContact CD2-CZ3 3.67Å; L242-W245 PolarHBondContact O-N 2.78Å; H243-W245 PolarHBondContact O-N 3Å; W245-W247 VanDerWaalsContact C-N 3.29Å; W245-W247 PolarHBondContact O-N 3.15Å; W245-I248 HydrophobicContact CB-CG1 4.23Å; W245-I248 HydrophobicContact CE3-CD1 3.55Å; W245-I248 HydrophobicContact CE3-CG1 4.35Å; W245-I248 HydrophobicContact CZ3-CD1 4.16Å; W245-I248 PolarHBondContact O-N 2.94Å; W245-Y249 PolarHBondContact O-N 3.02Å
246D92.6Very high91.5Very high74 Ų7468 Ų6840%0.39630%0.302SS..Hα-helixtrans-48.7-46.7-178.3-84.8-13.1000113.3R237 I248 Y249 W250R237-D246 IonicContact CZ-OD1 3.47Å; R237-D246 IonicContact NH1-OD1 3.51Å; R237-D246 PolarHBondContact NH1-OD1 3.14Å; R237-D246 IonicContact NH2-OD1 3.54Å; R237-D246 PolarHBondContact NH2-OD1 3.23Å; D246-I248 PolarHBondContact O-N 3.39Å; D246-Y249 PolarHBondContact O-N 2.96Å; D246-Y249 VanDerWaalsContact O-N 3.14Å; D246-W250 VanDerWaalsContact C-CD1 3.47Å; D246-W250 PolarHBondContact O-N 2.99Å
247W92.5Very high91.9Very high168 Ų16870.7 Ų70.764%0.63631%0.308SS*.Hα-helixtrans-63.4-28.4-177.172.1-92.5000113.4W245 K251W245-W247 VanDerWaalsContact C-N 3.29Å; W245-W247 PolarHBondContact O-N 3.15Å; W247-K251 WeakPolarHBondContact O-CD 3.42Å; W247-K251 WeakPolarHBondContact O-CG 3.23Å
248I94.6Very high92.2Very high37 Ų3770.6 Ų70.619%0.1931%0.308CS..Hα-helixtrans-77-52.9171-58.8-161.3000109W245 D246 W250 K251 T252W245-I248 HydrophobicContact CB-CG1 4.23Å; W245-I248 HydrophobicContact CE3-CD1 3.55Å; W245-I248 HydrophobicContact CE3-CG1 4.35Å; W245-I248 HydrophobicContact CZ3-CD1 4.16Å; W245-I248 PolarHBondContact O-N 2.94Å; D246-I248 PolarHBondContact O-N 3.39Å; I248-W250 VanDerWaalsContact C-N 3.27Å; I248-W250 PolarHBondContact O-N 3.21Å; I248-K251 WeakPolarHBondContact O-CB 3.35Å; I248-K251 PolarHBondContact O-N 3.48Å; I248-T252 HydrophobicContact CG2-CG2 4.48Å; I248-T252 WeakPolarHBondContact O-CG2 3.16Å; I248-T252 PolarHBondContact O-N 2.95Å
249Y95.9Very high92.8Very high1 Ų172.7 Ų72.70%0.00432%0.319CS..Hα-helixtrans-53.5-44.2-175.9-175.9-109.3000112R237 H243 W245 D246 K251 T252 Q254 G255 F258R237-Y249 HydrophobicContact CB-CE2 4.39Å; R237-Y249 HydrophobicContact CG-CD2 4.49Å; R237-Y249 HydrophobicContact CG-CE2 4.32Å; H243-Y249 HydrophobicContact CB-CD2 3.81Å; H243-Y249 HydrophobicContact CB-CE2 4.47Å; H243-Y249 AromaticContact CG-CD2 3.84Å; H243-Y249 AromaticContact ND1-CD2 3.93Å; W245-Y249 PolarHBondContact O-N 3.02Å; D246-Y249 PolarHBondContact O-N 2.96Å; D246-Y249 VanDerWaalsContact O-N 3.14Å; Y249-K251 PolarHBondContact O-N 3.43Å; Y249-K251 VanDerWaalsContact O-N 3.09Å; Y249-T252 PolarHBondContact O-N 3.28Å; Y249-T252 PolarHBondContact O-OG1 3.03Å; Y249-Q254 HydrophobicContact CE2-CB 3.94Å; Y249-G255 WeakPolarHBondContact O-CA 3.39Å; Y249-F258 HydrophobicContact CE1-CB 4.18Å; Y249-F258 HydrophobicContact CE1-CG 4.24Å
250W96.3Very high93.5Very high59 Ų5975.6 Ų75.622%0.22333%0.333CS..THydrogen-bonded Turntrans-68-10.6-179.5-59.8131.9000115.2P132 D246 I248 F258 K259P132-W250 HydrophobicContact CB-CH2 4.41Å; P132-W250 HydrophobicContact CG-CH2 4.26Å; P132-W250 HydrophobicContact CG-CZ2 4.02Å; D246-W250 VanDerWaalsContact C-CD1 3.47Å; D246-W250 PolarHBondContact O-N 2.99Å; I248-W250 VanDerWaalsContact C-N 3.27Å; I248-W250 PolarHBondContact O-N 3.21Å; W250-F258 AromaticContact CH2-CD1 3.61Å; W250-F258 HydrophobicContact CH2-CD1 3.61Å; W250-F258 AromaticContact CH2-CE1 3.88Å; W250-F258 HydrophobicContact CH2-CE1 3.88Å; W250-F258 HydrophobicContact CZ3-CB 4.34Å; W250-F258 AromaticContact CZ3-CD1 3.59Å; W250-F258 HydrophobicContact CZ3-CD1 3.59Å; W250-F258 HydrophobicContact CZ3-CE1 4.33Å; W250-F258 HydrophobicContact CZ3-CG 4.29Å; W250-K259 HydrophobicContact CE3-CD 4.27Å; W250-K259 HydrophobicContact CE3-CG 4.12Å; W250-K259 HydrophobicContact CZ3-CG 4.07Å
251K96.3Very high94.1Very high155 Ų15570.3 Ų70.367%0.67431%0.314SS*.THydrogen-bonded Turntrans-95.9-13.6173.9-64.5173.5-176.1-76.10112.5W247 I248 Y249W247-K251 WeakPolarHBondContact O-CD 3.42Å; W247-K251 WeakPolarHBondContact O-CG 3.23Å; I248-K251 WeakPolarHBondContact O-CB 3.35Å; I248-K251 PolarHBondContact O-N 3.48Å; Y249-K251 PolarHBondContact O-N 3.43Å; Y249-K251 VanDerWaalsContact O-N 3.09Å
252T96.8Very high94.8Very high28 Ų2868 Ų6817%0.17230%0.302CS..SBendtrans-80166.7178.876.50000111.9I248 Y249 Q254 G255 K256I248-T252 HydrophobicContact CG2-CG2 4.48Å; I248-T252 WeakPolarHBondContact O-CG2 3.16Å; I248-T252 PolarHBondContact O-N 2.95Å; Y249-T252 PolarHBondContact O-N 3.28Å; Y249-T252 PolarHBondContact O-OG1 3.03Å; T252-Q254 VanDerWaalsContact C-N 3.34Å; T252-Q254 PolarHBondContact OG1-N 2.97Å; T252-Q254 PolarHBondContact OG1-OE1 3.44Å; T252-G255 PolarHBondContact O-N 3.11Å; T252-G255 PolarHBondContact OG1-N 3.39Å; T252-G255 VanDerWaalsContact OG1-N 3.13Å; T252-K256 WeakPolarHBondContact O-CG 3.33Å; T252-K256 PolarHBondContact O-N 2.73Å
253E96.4Very high95.3Very high136 Ų13666 Ų6664%0.63630%0.297SS*.Hα-helixtrans-63.3-41.1172.8-172.7-179.5170.400111.7G255 K256 R257E253-G255 VanDerWaalsContact C-N 3.34Å; E253-G255 PolarHBondContact O-N 3.18Å; E253-K256 WeakPolarHBondContact O-CB 3.21Å; E253-K256 PolarHBondContact O-N 3.1Å; E253-K256 VanDerWaalsContact O-N 3.12Å; E253-R257 PolarHBondContact O-N 3.23Å
254Q96.4Very high95.7Very high49 Ų4967.2 Ų67.223%0.22931%0.306CS..Hα-helixtrans-59.3-43.8176.2-63.581.8-0.400111.3L233 Y249 T252 K256 R257 F258L233-Q254 HydrophobicContact CD2-CB 3.96Å; L233-Q254 HydrophobicContact CD2-CG 4.21Å; Y249-Q254 HydrophobicContact CE2-CB 3.94Å; T252-Q254 VanDerWaalsContact C-N 3.34Å; T252-Q254 PolarHBondContact OG1-N 2.97Å; T252-Q254 PolarHBondContact OG1-OE1 3.44Å; Q254-K256 VanDerWaalsContact C-N 3.31Å; Q254-K256 PolarHBondContact O-N 3.29Å; Q254-R257 PolarHBondContact O-N 2.72Å; Q254-F258 WeakPolarHBondContact O-CB 3.27Å; Q254-F258 PolarHBondContact O-N 2.99Å
255G96.9Very high96.1Very high0 Ų066.5 Ų66.50%030%0.302CS..Hα-helixtrans-66.1-31.2176.500000113.8Y249 T252 E253 K259Y249-G255 WeakPolarHBondContact O-CA 3.39Å; T252-G255 PolarHBondContact O-N 3.11Å; T252-G255 PolarHBondContact OG1-N 3.39Å; T252-G255 VanDerWaalsContact OG1-N 3.13Å; E253-G255 VanDerWaalsContact C-N 3.34Å; E253-G255 PolarHBondContact O-N 3.18Å; G255-K259 WeakPolarHBondContact O-CG 3.36Å; G255-K259 PolarHBondContact O-N 3.27Å; G255-K259 VanDerWaalsContact O-N 3.15Å
256K97.3Very high96.5Very high128 Ų12863.9 Ų63.956%0.55729%0.294SS*.Hα-helixtrans-69.6-47.5173.6-68.3173-172.8177.10111.4T252 E253 Q254 F258 K259 Q260T252-K256 WeakPolarHBondContact O-CG 3.33Å; T252-K256 PolarHBondContact O-N 2.73Å; E253-K256 WeakPolarHBondContact O-CB 3.21Å; E253-K256 PolarHBondContact O-N 3.1Å; E253-K256 VanDerWaalsContact O-N 3.12Å; Q254-K256 VanDerWaalsContact C-N 3.31Å; Q254-K256 PolarHBondContact O-N 3.29Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 PolarHBondContact O-N 3.03Å; K256-K259 PolarHBondContact O-N 3.04Å; K256-Q260 WeakPolarHBondContact O-CG 3.44Å; K256-Q260 PolarHBondContact O-N 2.69Å
257R97.9Very high96.7Very high105 Ų10568 Ų6840%0.39630%0.304SS..Hα-helixtrans-58-42.9174.1-71.7174.159-172.9-1.9111.5E229 L233 E253 Q254 K259 Q260 A261E229-R257 IonicContact OE1-CZ 3.51Å; E229-R257 IonicContact OE1-NE 2.73Å; E229-R257 PolarHBondContact OE1-NE 2.9Å; E229-R257 IonicContact OE1-NH2 3.43Å; E229-R257 PolarHBondContact OE1-NH2 3.22Å; L233-R257 HydrophobicContact CD1-CB 4Å; E253-R257 PolarHBondContact O-N 3.23Å; Q254-R257 PolarHBondContact O-N 2.72Å; R257-K259 PolarHBondContact O-N 3.39Å; R257-Q260 WeakPolarHBondContact O-CB 3.44Å; R257-Q260 PolarHBondContact O-N 2.91Å; R257-Q260 VanDerWaalsContact O-N 3.14Å; R257-A261 PolarHBondContact O-N 3.12Å
258F97.6Very high96.9Very high0 Ų062.2 Ų62.20%028%0.284CS..Hα-helixtrans-57.5-46.5175.3-166.9-94.3000112P132 L230 L233 L234 Y249 W250 Q254 K256 Q260 A261 L262P132-F258 HydrophobicContact CB-CE1 4.31Å; L230-F258 HydrophobicContact CB-CE2 4.37Å; L230-F258 HydrophobicContact CD2-CD1 4.31Å; L230-F258 HydrophobicContact CD2-CD2 3.52Å; L230-F258 HydrophobicContact CD2-CE1 4.25Å; L230-F258 HydrophobicContact CD2-CE2 3.36Å; L230-F258 HydrophobicContact CD2-CG 4.01Å; L230-F258 HydrophobicContact CD2-CZ 3.79Å; L230-F258 HydrophobicContact CG-CE2 4.46Å; L233-F258 HydrophobicContact CB-CD2 3.92Å; L233-F258 HydrophobicContact CD1-CB 3.98Å; L233-F258 HydrophobicContact CD1-CD2 4.14Å; L234-F258 HydrophobicContact CD1-CE2 4.14Å; L234-F258 HydrophobicContact CD1-CZ 4.45Å; L234-F258 HydrophobicContact CD2-CE2 3.95Å; L234-F258 HydrophobicContact CD2-CZ 4.07Å; L234-F258 HydrophobicContact CG-CE2 3.71Å; L234-F258 HydrophobicContact CG-CZ 4.24Å; Y249-F258 HydrophobicContact CE1-CB 4.18Å; Y249-F258 HydrophobicContact CE1-CG 4.24Å; W250-F258 AromaticContact CH2-CD1 3.61Å; W250-F258 HydrophobicContact CH2-CD1 3.61Å; W250-F258 AromaticContact CH2-CE1 3.88Å; W250-F258 HydrophobicContact CH2-CE1 3.88Å; W250-F258 HydrophobicContact CZ3-CB 4.34Å; W250-F258 AromaticContact CZ3-CD1 3.59Å; W250-F258 HydrophobicContact CZ3-CD1 3.59Å; W250-F258 HydrophobicContact CZ3-CE1 4.33Å; W250-F258 HydrophobicContact CZ3-CG 4.29Å; Q254-F258 WeakPolarHBondContact O-CB 3.27Å; Q254-F258 PolarHBondContact O-N 2.99Å; K256-F258 VanDerWaalsContact C-N 3.3Å; K256-F258 PolarHBondContact O-N 3.03Å; F258-Q260 VanDerWaalsContact C-N 3.34Å; F258-Q260 PolarHBondContact O-N 3.34Å; F258-A261 PolarHBondContact O-N 3.3Å; F258-L262 HydrophobicContact CD1-CD1 3.7Å; F258-L262 HydrophobicContact CD1-CG 3.9Å; F258-L262 HydrophobicContact CE1-CD1 3.57Å; F258-L262 HydrophobicContact CE1-CD2 4.06Å; F258-L262 HydrophobicContact CE1-CG 3.78Å; F258-L262 HydrophobicContact CZ-CD2 4.37Å; F258-L262 HydrophobicContact CZ-CG 4.46Å; F258-L262 WeakPolarHBondContact O-CB 3.16Å; F258-L262 VanDerWaalsContact O-CG 3.29Å; F258-L262 WeakPolarHBondContact O-CG 3.37Å; F258-L262 PolarHBondContact O-N 3.26Å
259K97.6Very high96.9Very high108 Ų10860.5 Ų60.547%0.4728%0.275SS..Hα-helixtrans-63.8-36.5176.7-75177.4176.1178.30113W250 G255 K256 R257 S263W250-K259 HydrophobicContact CE3-CD 4.27Å; W250-K259 HydrophobicContact CE3-CG 4.12Å; W250-K259 HydrophobicContact CZ3-CG 4.07Å; G255-K259 WeakPolarHBondContact O-CG 3.36Å; G255-K259 PolarHBondContact O-N 3.27Å; G255-K259 VanDerWaalsContact O-N 3.15Å; K256-K259 PolarHBondContact O-N 3.04Å; R257-K259 PolarHBondContact O-N 3.39Å; K259-S263 PolarHBondContact O-N 2.89Å
260Q97.8Very high96.9Very high125 Ų12565.6 Ų65.658%0.58429%0.294SS*.Hα-helixtrans-65-50.5175.9-70.8169.1-19.900110.8K256 R257 F258 L262 S263 V264K256-Q260 WeakPolarHBondContact O-CG 3.44Å; K256-Q260 PolarHBondContact O-N 2.69Å; R257-Q260 WeakPolarHBondContact O-CB 3.44Å; R257-Q260 PolarHBondContact O-N 2.91Å; R257-Q260 VanDerWaalsContact O-N 3.14Å; F258-Q260 VanDerWaalsContact C-N 3.34Å; F258-Q260 PolarHBondContact O-N 3.34Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.93Å; Q260-S263 WeakPolarHBondContact O-CB 3.38Å; Q260-S263 PolarHBondContact O-N 3.31Å; Q260-S263 VanDerWaalsContact O-N 3.07Å; Q260-S263 PolarHBondContact O-OG 3.33Å; Q260-V264 PolarHBondContact O-N 3.08Å
261A97.8Very high96.9Very high6 Ų666.6 Ų66.65%0.0530%0.304CS..Hα-helixtrans-61-40.217700000112.2A226 E229 L230 R257 F258 S263 V264 V265A226-A261 HydrophobicContact CB-CB 4.29Å; E229-A261 HydrophobicContact CG-CB 4.44Å; L230-A261 HydrophobicContact CD2-CB 3.77Å; L230-A261 HydrophobicContact CG-CB 3.78Å; R257-A261 PolarHBondContact O-N 3.12Å; F258-A261 PolarHBondContact O-N 3.3Å; A261-S263 VanDerWaalsContact C-N 3.3Å; A261-S263 PolarHBondContact O-N 3.24Å; A261-V264 PolarHBondContact O-N 3.36Å; A261-V265 PolarHBondContact O-N 3.06Å; A261-V265 VanDerWaalsContact O-N 3.11Å
262L97.3Very high96.8Very high17 Ų1759.3 Ų59.39%0.08927%0.272CS..Hα-helixtrans-55.9-44172-79.8-175.3000112.2P132 W133 L230 F258 Q260 V264 V265 H266P132-L262 HydrophobicContact CB-CD1 4.05Å; W133-L262 VanDerWaalsContact CA-CD2 3.45Å; W133-L262 HydrophobicContact CB-CD2 3.54Å; W133-L262 HydrophobicContact CG-CD2 3.97Å; L230-L262 HydrophobicContact CD1-CD2 4.16Å; L230-L262 HydrophobicContact CD2-CD2 3.89Å; L230-L262 HydrophobicContact CD2-CG 3.95Å; F258-L262 HydrophobicContact CD1-CD1 3.7Å; F258-L262 HydrophobicContact CD1-CG 3.9Å; F258-L262 HydrophobicContact CE1-CD1 3.57Å; F258-L262 HydrophobicContact CE1-CD2 4.06Å; F258-L262 HydrophobicContact CE1-CG 3.78Å; F258-L262 HydrophobicContact CZ-CD2 4.37Å; F258-L262 HydrophobicContact CZ-CG 4.46Å; F258-L262 WeakPolarHBondContact O-CB 3.16Å; F258-L262 VanDerWaalsContact O-CG 3.29Å; F258-L262 WeakPolarHBondContact O-CG 3.37Å; F258-L262 PolarHBondContact O-N 3.26Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.93Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 3.3Å; L262-V265 PolarHBondContact O-N 3.33Å; L262-H266 VanDerWaalsContact O-CB 3.26Å; L262-H266 WeakPolarHBondContact O-CB 3.37Å; L262-H266 VanDerWaalsContact O-CG 3.31Å; L262-H266 PolarHBondContact O-N 3.06Å
263S97.6Very high96.8Very high57 Ų5758.4 Ų58.440%0.39927%0.266SS..Hα-helixtrans-63-34.1-178.178.90000112.6K259 Q260 A261 R267K259-S263 PolarHBondContact O-N 2.89Å; Q260-S263 WeakPolarHBondContact O-CB 3.38Å; Q260-S263 PolarHBondContact O-N 3.31Å; Q260-S263 VanDerWaalsContact O-N 3.07Å; Q260-S263 PolarHBondContact O-OG 3.33Å; A261-S263 VanDerWaalsContact C-N 3.3Å; A261-S263 PolarHBondContact O-N 3.24Å; S263-R267 WeakPolarHBondContact O-CB 3.33Å; S263-R267 PolarHBondContact O-N 2.81Å; S263-R267 VanDerWaalsContact O-N 3.07Å
264V97.5Very high96.7Very high46 Ų4657.2 Ų57.228%0.27926%0.261SS..Hα-helixtrans-69.1-51.2175.7176.10000110Q222 A226 Q260 A261 L262 H266 R267 F268Q222-V264 HydrophobicContact CB-CG1 4.33Å; A226-V264 HydrophobicContact CB-CB 3.99Å; A226-V264 HydrophobicContact CB-CG1 3.91Å; Q260-V264 PolarHBondContact O-N 3.08Å; A261-V264 PolarHBondContact O-N 3.36Å; L262-V264 VanDerWaalsContact C-N 3.26Å; L262-V264 PolarHBondContact O-N 3.3Å; V264-H266 PolarHBondContact O-N 3.13Å; V264-R267 PolarHBondContact O-N 3.34Å; V264-F268 PolarHBondContact O-N 3.01Å
265V96.6Very high96.6Very high0 Ų059 Ų590%027%0.27CS..Hα-helixtrans-64.3-42.6-177.9172.10000112.1W133 Y223 A226 I227 L230 A261 L262 T269W133-V265 VanDerWaalsContact NE1-CG1 3.29Å; Y223-V265 HydrophobicContact CD2-CG1 4.47Å; Y223-V265 HydrophobicContact CD2-CG2 4.28Å; Y223-V265 HydrophobicContact CE2-CB 4.34Å; Y223-V265 HydrophobicContact CE2-CG1 3.81Å; Y223-V265 HydrophobicContact CE2-CG2 4.32Å; A226-V265 HydrophobicContact CB-CG2 3.74Å; I227-V265 HydrophobicContact CG1-CG2 4Å; L230-V265 HydrophobicContact CD1-CB 4.36Å; L230-V265 HydrophobicContact CD1-CG2 3.86Å; A261-V265 PolarHBondContact O-N 3.06Å; A261-V265 VanDerWaalsContact O-N 3.11Å; L262-V265 PolarHBondContact O-N 3.33Å; V265-T269 WeakPolarHBondContact O-CG2 3.35Å; V265-T269 PolarHBondContact O-N 3.2Å; V265-T269 VanDerWaalsContact O-N 3.16Å; V265-T269 PolarHBondContact O-OG1 2.99Å
266H97.3Very high96.5Very high42 Ų4260.4 Ų60.419%0.19428%0.276CS..Hα-helixtrans-69.9-29.4176.6-73178.3000113.3P132 W133 L262 V264 T269 R270 N327P132-H266 PolarHBondContact O-CE1 3.08Å; W133-H266 PolarHBondContact O-NE2 3.11Å; L262-H266 VanDerWaalsContact O-CB 3.26Å; L262-H266 WeakPolarHBondContact O-CB 3.37Å; L262-H266 VanDerWaalsContact O-CG 3.31Å; L262-H266 PolarHBondContact O-N 3.06Å; V264-H266 PolarHBondContact O-N 3.13Å; H266-T269 WeakPolarHBondContact CA-OG1 3.49Å; H266-T269 PolarHBondContact O-OG1 3.07Å; H266-R270 WeakPolarHBondContact O-CB 3.36Å; H266-R270 PolarHBondContact O-N 2.93Å; H266-N327 PolarHBondContact CD2-ND2 2.89Å; H266-N327 VanDerWaalsContact CD2-ND2 3.27Å; H266-N327 PolarHBondContact NE2-ND2 3.24Å
267R97.3Very high96.3Very high161 Ų16158.2 Ų58.261%0.60826%0.264SS*.Hα-helixtrans-69.8-53.7174.2-175.8-174.2-53.2-1681.7110.1S263 V264 T269 R270 D271S263-R267 WeakPolarHBondContact O-CB 3.33Å; S263-R267 PolarHBondContact O-N 2.81Å; S263-R267 VanDerWaalsContact O-N 3.07Å; V264-R267 PolarHBondContact O-N 3.34Å; R267-T269 VanDerWaalsContact C-N 3.34Å; R267-T269 PolarHBondContact O-N 3.31Å; R267-R270 WeakPolarHBondContact O-CB 3.47Å; R267-R270 PolarHBondContact O-N 3.45Å; R267-R270 VanDerWaalsContact O-N 3.13Å; R267-D271 PolarHBondContact O-N 2.9Å
268F95.6Very high96Very high47 Ų4755.6 Ų55.621%0.20626%0.264CS..Hα-helixtrans-54.2-49.6-178.5-177.9-96.6000112.5L206 Y212 Y223 V264 R270 D271 V272 M330L206-F268 HydrophobicContact CD1-CE1 4.29Å; L206-F268 HydrophobicContact CD1-CZ 3.98Å; L206-F268 HydrophobicContact CD2-CE1 4.23Å; Y212-F268 HydrophobicContact CE1-CZ 4.48Å; Y223-F268 HydrophobicContact CD1-CD1 4.44Å; Y223-F268 HydrophobicContact CD1-CE1 4.43Å; Y223-F268 HydrophobicContact CD2-CB 3.71Å; Y223-F268 AromaticContact CD2-CD1 3.3Å; Y223-F268 HydrophobicContact CD2-CD1 3.3Å; Y223-F268 HydrophobicContact CD2-CE1 4.06Å; Y223-F268 AromaticContact CD2-CG 3.6Å; Y223-F268 HydrophobicContact CD2-CG 3.6Å; Y223-F268 HydrophobicContact CE2-CB 4.35Å; Y223-F268 AromaticContact CE2-CD1 3.57Å; Y223-F268 HydrophobicContact CE2-CD1 3.57Å; Y223-F268 HydrophobicContact CE2-CE1 4.29Å; Y223-F268 HydrophobicContact CE2-CG 4.26Å; Y223-F268 AromaticContact CG-CD1 3.77Å; Y223-F268 HydrophobicContact CG-CD1 3.77Å; Y223-F268 HydrophobicContact CG-CE1 4.12Å; Y223-F268 HydrophobicContact CG-CG 4.07Å; V264-F268 PolarHBondContact O-N 3.01Å; F268-R270 PolarHBondContact O-N 3.05Å; F268-D271 PolarHBondContact O-N 3.48Å; F268-V272 HydrophobicContact CD1-CG2 4.37Å; F268-V272 HydrophobicContact CE1-CG2 4.04Å; F268-V272 HydrophobicContact CZ-CG2 4.2Å; F268-V272 WeakPolarHBondContact O-CG2 3.46Å; F268-V272 PolarHBondContact O-N 3.02Å; F268-M330 HydrophobicContact CD1-SD 3.65Å; F268-M330 HydrophobicContact CE1-CE 4.47Å; F268-M330 HydrophobicContact CE1-SD 3.55Å; F268-M330 VanDerWaalsContact CE1-SD 3.55Å
269T94.9Very high95.7Very high0 Ų058.5 Ų58.50%028%0.28CS..Hα-helixtrans-64.6-39.1179.748.10000112.8Y223 V265 H266 R267 V273 Q323 N327 M330Y223-T269 HydrophobicContact CE2-CG2 4.07Å; V265-T269 WeakPolarHBondContact O-CG2 3.35Å; V265-T269 PolarHBondContact O-N 3.2Å; V265-T269 VanDerWaalsContact O-N 3.16Å; V265-T269 PolarHBondContact O-OG1 2.99Å; H266-T269 WeakPolarHBondContact CA-OG1 3.49Å; H266-T269 PolarHBondContact O-OG1 3.07Å; R267-T269 VanDerWaalsContact C-N 3.34Å; R267-T269 PolarHBondContact O-N 3.31Å; T269-V273 WeakPolarHBondContact O-CG2 3.46Å; T269-V273 PolarHBondContact O-N 3.12Å; T269-Q323 PolarHBondContact OG1-NE2 2.74Å; T269-N327 WeakPolarHBondContact CB-OD1 3.49Å; T269-N327 VanDerWaalsContact CG2-OD1 3.25Å; T269-N327 WeakPolarHBondContact CG2-OD1 3.1Å; T269-N327 PolarHBondContact OG1-OD1 2.88Å; T269-M330 HydrophobicContact CG2-CB 4.46Å; T269-M330 HydrophobicContact CG2-CE 3.51Å; T269-M330 HydrophobicContact CG2-SD 3.47Å; T269-M330 WeakPolarHBondContact CG2-SD 3.25Å
270R96.1Very high95.3Very high108 Ų10853.9 Ų53.941%0.40826%0.26SS..Hα-helixtrans-63.2-45.6175.3-170.4-167-38.7-87.4-12.4111.3H266 R267 F268 V272 V273 Q274H266-R270 WeakPolarHBondContact O-CB 3.36Å; H266-R270 PolarHBondContact O-N 2.93Å; R267-R270 WeakPolarHBondContact O-CB 3.47Å; R267-R270 PolarHBondContact O-N 3.45Å; R267-R270 VanDerWaalsContact O-N 3.13Å; F268-R270 PolarHBondContact O-N 3.05Å; R270-V272 VanDerWaalsContact C-N 3.34Å; R270-V272 PolarHBondContact O-N 3.42Å; R270-V273 PolarHBondContact O-N 3.21Å; R270-Q274 HydrophobicContact CG-CG 4.27Å; R270-Q274 WeakPolarHBondContact O-CB 3.47Å; R270-Q274 VanDerWaalsContact O-CG 3.28Å; R270-Q274 WeakPolarHBondContact O-CG 3.46Å; R270-Q274 PolarHBondContact O-N 3.13Å
271D95.6Very high94.9Very high81 Ų8151.3 Ų51.343%0.43325%0.25SS..Hα-helixtrans-61.7-44.1-179.5-62.9-13.4000110.6R267 F268 Q274 M275R267-D271 PolarHBondContact O-N 2.9Å; F268-D271 PolarHBondContact O-N 3.48Å; D271-Q274 PolarHBondContact O-N 3.43Å; D271-M275 VanDerWaalsContact O-CB 3.31Å; D271-M275 WeakPolarHBondContact O-CB 3.34Å; D271-M275 PolarHBondContact O-N 3.44Å
272V95.1Very high94.4Very high1 Ų156.4 Ų56.41%0.00627%0.273CS..Hα-helixtrans-58.9-48.7175170.70000111.4F210 Y212 F268 R270 R276 M330F210-V272 HydrophobicContact CB-CG1 3.82Å; F210-V272 HydrophobicContact CD1-CG1 3.92Å; F210-V272 HydrophobicContact CG-CG1 4.14Å; Y212-V272 HydrophobicContact CD1-CG2 4.1Å; Y212-V272 HydrophobicContact CD2-CB 4.28Å; Y212-V272 HydrophobicContact CD2-CG1 4.05Å; Y212-V272 HydrophobicContact CD2-CG2 3.87Å; Y212-V272 HydrophobicContact CE1-CG2 4.12Å; Y212-V272 HydrophobicContact CE2-CG2 3.93Å; Y212-V272 HydrophobicContact CG-CG1 4.05Å; Y212-V272 HydrophobicContact CG-CG2 3.99Å; F268-V272 HydrophobicContact CD1-CG2 4.37Å; F268-V272 HydrophobicContact CE1-CG2 4.04Å; F268-V272 HydrophobicContact CZ-CG2 4.2Å; F268-V272 WeakPolarHBondContact O-CG2 3.46Å; F268-V272 PolarHBondContact O-N 3.02Å; R270-V272 VanDerWaalsContact C-N 3.34Å; R270-V272 PolarHBondContact O-N 3.42Å; V272-R276 PolarHBondContact O-N 3.39Å; V272-R276 VanDerWaalsContact O-N 3.13Å; V272-M330 HydrophobicContact CB-CE 4.48Å; V272-M330 HydrophobicContact CG1-CE 4.37Å
273V95.8Very high93.7Very high9 Ų959.1 Ų59.16%0.05529%0.285CS..Hα-helixtrans-65.3-43.5-180169.80000111.5T269 R270 R276 R277 L307 I322 A326T269-V273 WeakPolarHBondContact O-CG2 3.46Å; T269-V273 PolarHBondContact O-N 3.12Å; R270-V273 PolarHBondContact O-N 3.21Å; V273-R276 PolarHBondContact O-N 2.96Å; V273-R277 WeakPolarHBondContact O-CB 3.41Å; V273-R277 PolarHBondContact O-N 3.43Å; V273-L307 HydrophobicContact CG1-CD2 4.1Å; V273-I322 HydrophobicContact CG1-CG2 3.71Å; V273-A326 HydrophobicContact CG2-CB 3.66Å
274Q95.1Very high92.9Very high112 Ų11262.6 Ų62.652%0.52329%0.29SS..Hα-helixtrans-65.1-42.4179.5-76.2-179.2-6.300111.6R270 D271 R276 R277 A278R270-Q274 HydrophobicContact CG-CG 4.27Å; R270-Q274 WeakPolarHBondContact O-CB 3.47Å; R270-Q274 VanDerWaalsContact O-CG 3.28Å; R270-Q274 WeakPolarHBondContact O-CG 3.46Å; R270-Q274 PolarHBondContact O-N 3.13Å; D271-Q274 PolarHBondContact O-N 3.43Å; Q274-R276 VanDerWaalsContact C-N 3.31Å; Q274-R276 PolarHBondContact O-N 3.38Å; Q274-R277 PolarHBondContact O-N 2.95Å; Q274-A278 PolarHBondContact O-N 3.42Å
275M94Very high92Very high86 Ų8666.5 Ų66.542%0.42431%0.305SS..Hα-helixtrans-60.1-43.5176.1-167-179.58800111Y212 D271 A278 L279Y212-M275 HydrophobicContact CD2-CE 3.22Å; Y212-M275 HydrophobicContact CD2-SD 4.2Å; Y212-M275 HydrophobicContact CE2-CE 3.35Å; Y212-M275 HydrophobicContact CE2-SD 3.74Å; Y212-M275 HydrophobicContact CG-CE 4.38Å; D271-M275 VanDerWaalsContact O-CB 3.31Å; D271-M275 WeakPolarHBondContact O-CB 3.34Å; D271-M275 PolarHBondContact O-N 3.44Å; M275-A278 PolarHBondContact O-N 3.44Å; M275-L279 WeakPolarHBondContact O-CG 3.44Å; M275-L279 PolarHBondContact O-N 2.87Å
276R93.8Very high91Very high30 Ų3070.3 Ų70.311%0.11333%0.328CS..Hα-helixtrans-65.7-41.5176.3-176.258.2175.9-165.8-6.7112.5V272 V273 Q274 A278 L279 I280 V303 D304 L307V272-R276 PolarHBondContact O-N 3.39Å; V272-R276 VanDerWaalsContact O-N 3.13Å; V273-R276 PolarHBondContact O-N 2.96Å; Q274-R276 VanDerWaalsContact C-N 3.31Å; Q274-R276 PolarHBondContact O-N 3.38Å; R276-A278 PolarHBondContact O-N 3.18Å; R276-L279 PolarHBondContact O-N 3.15Å; R276-I280 HydrophobicContact CG-CD1 4.14Å; R276-I280 WeakPolarHBondContact O-CG1 3.47Å; R276-I280 PolarHBondContact O-N 3.4Å; R276-I280 VanDerWaalsContact O-N 3.08Å; R276-V303 HydrophobicContact CB-CG2 3.98Å; R276-V303 HydrophobicContact CG-CB 4.44Å; R276-V303 HydrophobicContact CG-CG1 3.75Å; R276-V303 HydrophobicContact CG-CG2 3.84Å; R276-D304 IonicContact CZ-OD1 2.99Å; R276-D304 IonicContact CZ-OD2 3.24Å; R276-D304 IonicContact NE-OD1 3.18Å; R276-D304 PolarHBondContact NE-OD1 3.5Å; R276-D304 IonicContact NH2-OD1 3.45Å; R276-D304 PolarHBondContact NH2-OD1 3Å; R276-D304 IonicContact NH2-OD2 2.7Å; R276-D304 PolarHBondContact NH2-OD2 2.74Å; R276-L307 HydrophobicContact CB-CD1 4.25Å; R276-L307 HydrophobicContact CG-CD1 3.91Å
277R93.4Very high89.8Confident82 Ų8274.3 Ų74.331%0.30935%0.347SS..Hα-helixtrans-57.9-47.9176.9-172.4174.9-64.7-153.64.3111.2V273 Q274 L279 I280 D281 L307 D319 I322V273-R277 WeakPolarHBondContact O-CB 3.41Å; V273-R277 PolarHBondContact O-N 3.43Å; Q274-R277 PolarHBondContact O-N 2.95Å; R277-L279 VanDerWaalsContact C-N 3.31Å; R277-L279 PolarHBondContact O-N 3.06Å; R277-I280 PolarHBondContact O-N 2.89Å; R277-I280 VanDerWaalsContact O-N 3.16Å; R277-D281 PolarHBondContact O-N 2.65Å; R277-L307 HydrophobicContact CB-CD1 4.33Å; R277-L307 HydrophobicContact CB-CD2 4.34Å; R277-D319 IonicContact CZ-OD1 3.49Å; R277-D319 VanDerWaalsContact CZ-OD1 3.3Å; R277-D319 IonicContact NH1-OD1 3.47Å; R277-D319 PolarHBondContact NH1-OD1 3.42Å; R277-D319 IonicContact NH1-OD2 2.71Å; R277-D319 IonicContact NH2-OD1 2.72Å; R277-D319 PolarHBondContact NH2-OD1 3.14Å; R277-I322 VanDerWaalsContact NH2-CD1 3.33Å
278A93.2Very high88.4Confident49 Ų4972.4 Ų72.441%0.40535%0.354SS..Hα-helixtrans-58.9-39.9177.600000112.9Q274 M275 R276 D281 Q282Q274-A278 PolarHBondContact O-N 3.42Å; M275-A278 PolarHBondContact O-N 3.44Å; R276-A278 PolarHBondContact O-N 3.18Å; A278-D281 PolarHBondContact O-N 3.04Å; A278-Q282 WeakPolarHBondContact O-CG 3.42Å; A278-Q282 PolarHBondContact O-N 3.07Å
279L90.8Very high86.9Confident62 Ų6277.2 Ų77.233%0.32538%0.381SS..Hα-helixtrans-65.9-38.9176.8-70.7171.7000112.8M275 R276 R277 Q283M275-L279 WeakPolarHBondContact O-CG 3.44Å; M275-L279 PolarHBondContact O-N 2.87Å; R276-L279 PolarHBondContact O-N 3.15Å; R277-L279 VanDerWaalsContact C-N 3.31Å; R277-L279 PolarHBondContact O-N 3.06Å; L279-Q283 VanDerWaalsContact O-CG 3.26Å; L279-Q283 WeakPolarHBondContact O-CG 3.26Å; L279-Q283 PolarHBondContact O-N 3.36Å; L279-Q283 VanDerWaalsContact O-N 3.09Å
280I88.8Confident85.3Confident11 Ų1180.6 Ų80.66%0.05640%0.401CS..Hα-helixtrans-65.4-42.3176.3-69.2170.5000110.5R276 R277 Q283 R284 L307 L308R276-I280 HydrophobicContact CG-CD1 4.14Å; R276-I280 WeakPolarHBondContact O-CG1 3.47Å; R276-I280 PolarHBondContact O-N 3.4Å; R276-I280 VanDerWaalsContact O-N 3.08Å; R277-I280 PolarHBondContact O-N 2.89Å; R277-I280 VanDerWaalsContact O-N 3.16Å; I280-Q283 PolarHBondContact O-N 3.41Å; I280-R284 WeakPolarHBondContact O-CG 3.29Å; I280-R284 PolarHBondContact O-N 3.11Å; I280-L307 HydrophobicContact CD1-CB 4.36Å; I280-L307 HydrophobicContact CD1-CD1 3.72Å; I280-L308 HydrophobicContact CD1-CD1 4.37Å; I280-L308 HydrophobicContact CD1-CG 4.42Å; I280-L308 HydrophobicContact CG2-CD2 4.12Å
281D88.6Confident83.4Confident70 Ų7080.8 Ų80.837%0.37442%0.419SS..Hα-helixtrans-65.1-43.5-179.8-66.8-26.4000111.1R277 A278 Q283 R284 E285R277-D281 PolarHBondContact O-N 2.65Å; A278-D281 PolarHBondContact O-N 3.04Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; D281-Q283 PolarHBondContact O-N 3.45Å; D281-R284 PolarHBondContact O-N 3.02Å; D281-E285 WeakPolarHBondContact O-CG 3.42Å; D281-E285 PolarHBondContact O-N 3.31Å
282Q87.1Confident81.3Confident114 Ų11483.3 Ų83.353%0.53343%0.43SS..Hα-helixtrans-60.1-39.8173.3-73.7177.2-5.100113.2A278 T286A278-Q282 WeakPolarHBondContact O-CG 3.42Å; A278-Q282 PolarHBondContact O-N 3.07Å; Q282-T286 PolarHBondContact O-N 3.22Å; Q282-T286 VanDerWaalsContact O-N 3.11Å; Q282-T286 PolarHBondContact O-OG1 3.13Å
283Q83.6Confident78.9Confident74 Ų7490.1 Ų90.135%0.34647%0.472SS..Hα-helixtrans-64.4-43.8177.2-76.6168.64.300111.5L279 I280 D281 E285 T286 E287L279-Q283 VanDerWaalsContact O-CG 3.26Å; L279-Q283 WeakPolarHBondContact O-CG 3.26Å; L279-Q283 PolarHBondContact O-N 3.36Å; L279-Q283 VanDerWaalsContact O-N 3.09Å; I280-Q283 PolarHBondContact O-N 3.41Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; D281-Q283 PolarHBondContact O-N 3.45Å; Q283-E285 PolarHBondContact O-N 3.48Å; Q283-T286 PolarHBondContact O-N 2.83Å; Q283-E287 WeakPolarHBondContact O-CG 3.31Å; Q283-E287 PolarHBondContact O-N 3.3Å
284R81.4Confident76.4Confident129 Ų12994.7 Ų94.749%0.48750%0.5SS..Hα-helixtrans-62.6-42.4177.3-75.4174.1167.5-179.6-5.4112.7I280 D281 T286 E287 T288I280-R284 WeakPolarHBondContact O-CG 3.29Å; I280-R284 PolarHBondContact O-N 3.11Å; D281-R284 PolarHBondContact O-N 3.02Å; R284-T286 VanDerWaalsContact C-N 3.31Å; R284-T286 PolarHBondContact O-N 3.31Å; R284-E287 PolarHBondContact O-N 2.91Å; R284-T288 WeakPolarHBondContact O-CB 3.19Å; R284-T288 PolarHBondContact O-N 2.75Å; R284-T288 PolarHBondContact O-OG1 3.06Å
285E77.9Confident74Confident129 Ų12993.7 Ų93.760%0.60351%0.511SS*.Hα-helixtrans-60-44.7175.6-72.6176.4-179.200110.8D281 Q283 T288 L289D281-E285 WeakPolarHBondContact O-CG 3.42Å; D281-E285 PolarHBondContact O-N 3.31Å; Q283-E285 PolarHBondContact O-N 3.48Å; E285-T288 PolarHBondContact O-N 3.25Å; E285-L289 WeakPolarHBondContact O-CD1 3.33Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.45Å; E285-L289 PolarHBondContact O-N 3.34Å; E285-L289 VanDerWaalsContact O-N 3.09Å
286T75.1Confident71.5Confident80 Ų8098.1 Ų98.149%0.49153%0.531SS..Hα-helixtrans-66.1-42.4179.4-52.60000112.8Q282 Q283 R284 T288 L289 T290Q282-T286 PolarHBondContact O-N 3.22Å; Q282-T286 VanDerWaalsContact O-N 3.11Å; Q282-T286 PolarHBondContact O-OG1 3.13Å; Q283-T286 PolarHBondContact O-N 2.83Å; R284-T286 VanDerWaalsContact C-N 3.31Å; R284-T286 PolarHBondContact O-N 3.31Å; T286-T288 VanDerWaalsContact C-N 3.33Å; T286-L289 PolarHBondContact O-N 3.16Å; T286-T290 PolarHBondContact O-N 3.47Å; T286-T290 VanDerWaalsContact O-N 3.13Å; T286-T290 PolarHBondContact O-OG1 3.42Å
287E71.9Confident69.4Low125 Ų125105.6 Ų105.658%0.58457%0.567SS**Hα-helixtrans-63.7-38.2175.5-74.4174.8-177.600111.9Q283 R284 L289Q283-E287 WeakPolarHBondContact O-CG 3.31Å; Q283-E287 PolarHBondContact O-N 3.3Å; R284-E287 PolarHBondContact O-N 2.91Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 3.07Å
288T67.9Low67.7Low122 Ų122109 Ų10975%0.74858%0.584SS**Hα-helixtrans-67.2-34176.9-49.70000111.6R284 E285 T286R284-T288 WeakPolarHBondContact O-CB 3.19Å; R284-T288 PolarHBondContact O-N 2.75Å; R284-T288 PolarHBondContact O-OG1 3.06Å; E285-T288 PolarHBondContact O-N 3.25Å; T286-T288 VanDerWaalsContact C-N 3.33Å
289L65.1Low66.3Low148 Ų148111.6 Ų111.678%0.77559%0.586SS**Hα-helixtrans-77.8-28.4-179.8-76.2161.6000114.2E285 T286 E287E285-L289 WeakPolarHBondContact O-CD1 3.33Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.45Å; E285-L289 PolarHBondContact O-N 3.34Å; E285-L289 VanDerWaalsContact O-N 3.09Å; T286-L289 PolarHBondContact O-N 3.16Å; E287-L289 VanDerWaalsContact C-N 3.31Å; E287-L289 PolarHBondContact O-N 3.07Å
290T61.4Low65.6Low70 Ų70113 Ų11343%0.42959%0.59SS.*Hα-helixtrans-101.1-3.6-168.647.30000115.4T286 M292T286-T290 PolarHBondContact O-N 3.47Å; T286-T290 VanDerWaalsContact O-N 3.13Å; T286-T290 PolarHBondContact O-OG1 3.42Å; T290-M292 WeakPolarHBondContact O-CG 3.26Å; T290-M292 PolarHBondContact O-N 2.9Å
291S54.6Low65.4Low112 Ų112114 Ų11478%0.78360%0.595SS**  trans47.319-179.372.20000115.6T293S291-T293 PolarHBondContact O-N 3.33Å
292M52Low65.5Low135 Ų135110.8 Ų110.867%0.66558%0.577SS**  trans-8399.1177.6-72.4-168.371.600109.3T290 T294T290-M292 WeakPolarHBondContact O-CG 3.26Å; T290-M292 PolarHBondContact O-N 2.9Å; M292-T294 PolarHBondContact O-N 3.47Å
293T45.1Very low65.7Low144 Ų144105.3 Ų105.388%0.88355%0.552SS**  trans-73.848.6167.942.90000112.1S291S291-T293 PolarHBondContact O-N 3.33Å
294T42.7Very low66Low105 Ų105102.3 Ų102.364%0.64454%0.538SS*.  trans-109.964.7164.321.20000108.4M292 Q296M292-T294 PolarHBondContact O-N 3.47Å; T294-Q296 PolarHBondContact O-N 3.31Å
295A45.4Very low66.3Low91 Ų9197.1 Ų97.175%0.75252%0.52SS*.  trans-67.572.1159.400000107.9Q297A295-Q297 VanDerWaalsContact C-N 3.31Å; A295-Q297 PolarHBondContact O-N 3.39Å
296Q41.9Very low67Low179 Ų17991 Ų9184%0.83649%0.491SS*.  trans-53.1110.7152.1-117.9175.2-0.300103.8T294 K298T294-Q296 PolarHBondContact O-N 3.31Å; Q296-K298 PolarHBondContact O-N 2.71Å
297Q49.1Very low67.8Low187 Ų18788.8 Ų88.887%0.87448%0.476SS*.  trans-56.387177-101.6175.7-1500107.8A295 K299A295-Q297 VanDerWaalsContact C-N 3.31Å; A295-Q297 PolarHBondContact O-N 3.39Å; Q297-K299 PolarHBondContact O-N 2.98Å
298K58.4Low68.6Low154 Ų15484.8 Ų84.867%0.6746%0.459SS*.  trans-64.6111.1174.6-160.9171.5-176.41760104.4Q296 K300Q296-K298 PolarHBondContact O-N 2.71Å; K298-K300 PolarHBondContact O-N 3.43Å
299K62.5Low69.4Low103 Ų10380.1 Ų80.145%0.44843%0.431SS..PPolyproline II helixtrans-55.4125.9179.5-69.8179.8177.2176.60107.1D160 Q297D160-K299 PolarHBondContact O-NZ 2.81Å; Q297-K299 PolarHBondContact O-N 2.98Å
300K76Confident70.3Confident92 Ų9280.1 Ų80.140%0.443%0.425SS..PPolyproline II helixtrans-80.5126.5-173.1-70.4-178.3-179.3179.70109.6K298 D304 L305 L308K298-K300 PolarHBondContact O-N 3.43Å; K300-D304 HydrophobicContact CB-CB 3.73Å; K300-D304 HydrophobicContact CG-CB 4.09Å; K300-L305 HydrophobicContact CB-CD2 4.08Å; K300-L305 HydrophobicContact CB-CG 4.1Å; K300-L305 HydrophobicContact CD-CD2 4.32Å; K300-L308 HydrophobicContact CD-CD1 4.17Å
301D85.6Confident71.3Confident31 Ų3177.9 Ų77.917%0.16641%0.41CS..PPolyproline II helixtrans-71.8172.5171.3-68.6-36.7000110.6Y165 C208 S211 V303 D304 L305Y165-D301 WeakPolarHBondContact CE1-OD1 3.4Å; Y165-D301 PolarHBondContact OH-OD1 3.33Å; C208-D301 WeakPolarHBondContact O-CB 3.48Å; S211-D301 PolarHBondContact OG-OD2 3.31Å; D301-V303 VanDerWaalsContact C-N 3.31Å; D301-V303 PolarHBondContact O-N 2.93Å; D301-D304 PolarHBondContact N-OD2 2.84Å; D301-D304 WeakPolarHBondContact O-CB 3.42Å; D301-D304 PolarHBondContact O-N 3.05Å; D301-L305 WeakPolarHBondContact O-CG 3.43Å; D301-L305 PolarHBondContact O-N 3.34Å
302F89.5Confident72.6Confident2 Ų279.8 Ų79.81%0.00941%0.407CS..Hα-helixtrans-55-43.9179.8169.2-94.6000113L153 A156 F157 A209 F210 D304 L305 I306 E325 F329L153-F302 HydrophobicContact CD1-CE2 4.27Å; L153-F302 HydrophobicContact CD2-CE2 3.87Å; L153-F302 HydrophobicContact CG-CE2 4.45Å; A156-F302 HydrophobicContact CB-CB 4.26Å; A156-F302 HydrophobicContact CB-CD2 4.16Å; F157-F302 HydrophobicContact CE2-CD2 4.25Å; F157-F302 HydrophobicContact CZ-CD2 4.21Å; A209-F302 HydrophobicContact CB-CB 3.94Å; A209-F302 HydrophobicContact CB-CD1 4.49Å; A209-F302 WeakPolarHBondContact O-CB 3.35Å; A209-F302 PolarHBondContact O-N 3.4Å; F210-F302 HydrophobicContact CE1-CD1 4.33Å; F210-F302 HydrophobicContact CE1-CE1 4.26Å; F210-F302 HydrophobicContact CZ-CD1 4.17Å; F210-F302 HydrophobicContact CZ-CE1 4.07Å; F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.34Å; F302-L305 WeakPolarHBondContact O-CB 3.46Å; F302-L305 PolarHBondContact O-N 3.32Å; F302-L305 VanDerWaalsContact O-N 3.08Å; F302-I306 HydrophobicContact CD2-CG2 4.5Å; F302-I306 HydrophobicContact CE1-CD1 3.98Å; F302-I306 HydrophobicContact CE1-CG2 3.94Å; F302-I306 HydrophobicContact CE2-CG2 3.86Å; F302-I306 HydrophobicContact CZ-CG2 3.53Å; F302-I306 PolarHBondContact O-N 2.88Å; F302-E325 HydrophobicContact CZ-CB 4.26Å; F302-F329 HydrophobicContact CD1-CB 4.34Å; F302-F329 HydrophobicContact CD1-CG 4.49Å; F302-F329 HydrophobicContact CD2-CD1 4.13Å; F302-F329 HydrophobicContact CD2-CE1 4.23Å; F302-F329 HydrophobicContact CD2-CG 4.33Å; F302-F329 HydrophobicContact CD2-CZ 4.48Å; F302-F329 HydrophobicContact CE1-CB 3.68Å; F302-F329 HydrophobicContact CE1-CD1 4.45Å; F302-F329 HydrophobicContact CE1-CD2 4.03Å; F302-F329 AromaticContact CE1-CG 3.79Å; F302-F329 HydrophobicContact CE1-CG 3.79Å; F302-F329 HydrophobicContact CE2-CB 4.39Å; F302-F329 AromaticContact CE2-CD1 3.71Å; F302-F329 HydrophobicContact CE2-CD1 3.71Å; F302-F329 AromaticContact CE2-CD2 3.54Å; F302-F329 HydrophobicContact CE2-CD2 3.54Å; F302-F329 AromaticContact CE2-CE1 3.76Å; F302-F329 HydrophobicContact CE2-CE1 3.76Å; F302-F329 AromaticContact CE2-CE2 3.56Å; F302-F329 HydrophobicContact CE2-CE2 3.56Å; F302-F329 AromaticContact CE2-CG 3.59Å; F302-F329 HydrophobicContact CE2-CG 3.59Å; F302-F329 AromaticContact CE2-CZ 3.65Å; F302-F329 HydrophobicContact CE2-CZ 3.65Å; F302-F329 HydrophobicContact CZ-CB 3.72Å; F302-F329 AromaticContact CZ-CD1 3.91Å; F302-F329 HydrophobicContact CZ-CD1 3.91Å; F302-F329 AromaticContact CZ-CD2 3.16Å; F302-F329 HydrophobicContact CZ-CD2 3.16Å; F302-F329 HydrophobicContact CZ-CE1 4.33Å; F302-F329 AromaticContact CZ-CE2 3.64Å; F302-F329 HydrophobicContact CZ-CE2 3.64Å; F302-F329 AromaticContact CZ-CG 3.29Å; F302-F329 HydrophobicContact CZ-CG 3.29Å; F302-F329 HydrophobicContact CZ-CZ 4.18Å
303V91.6Very high74.2Confident0 Ų079.9 Ų79.90%041%0.41CS..Hα-helixtrans-62.8-36177.965.30000112.1A209 F210 R276 D301 L305 I306 L307A209-V303 WeakPolarHBondContact O-CB 3.38Å; A209-V303 WeakPolarHBondContact O-CG1 3.19Å; A209-V303 PolarHBondContact O-N 2.87Å; F210-V303 HydrophobicContact CD1-CB 4.1Å; F210-V303 HydrophobicContact CD1-CG2 4.25Å; R276-V303 HydrophobicContact CB-CG2 3.98Å; R276-V303 HydrophobicContact CG-CB 4.44Å; R276-V303 HydrophobicContact CG-CG1 3.75Å; R276-V303 HydrophobicContact CG-CG2 3.84Å; D301-V303 VanDerWaalsContact C-N 3.31Å; D301-V303 PolarHBondContact O-N 2.93Å; V303-L305 VanDerWaalsContact C-N 3.29Å; V303-L305 PolarHBondContact O-N 3.29Å; V303-I306 HydrophobicContact CG2-CD1 4.42Å; V303-I306 WeakPolarHBondContact O-CG1 3.31Å; V303-I306 PolarHBondContact O-N 3Å; V303-L307 HydrophobicContact CG2-CD1 3.99Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 WeakPolarHBondContact O-CD1 3.23Å; V303-L307 WeakPolarHBondContact O-CG 3.32Å; V303-L307 PolarHBondContact O-N 3.13Å; V303-L307 VanDerWaalsContact O-N 3.1Å
304D90.4Very high76Confident11 Ų1174.7 Ų74.76%0.05939%0.385CS..Hα-helixtrans-67.6-36.9175.2-64.2-30.3000110.2R276 K300 D301 F302 L307 L308R276-D304 IonicContact CZ-OD1 2.99Å; R276-D304 IonicContact CZ-OD2 3.24Å; R276-D304 IonicContact NE-OD1 3.18Å; R276-D304 PolarHBondContact NE-OD1 3.5Å; R276-D304 IonicContact NH2-OD1 3.45Å; R276-D304 PolarHBondContact NH2-OD1 3Å; R276-D304 IonicContact NH2-OD2 2.7Å; R276-D304 PolarHBondContact NH2-OD2 2.74Å; K300-D304 HydrophobicContact CB-CB 3.73Å; K300-D304 HydrophobicContact CG-CB 4.09Å; D301-D304 PolarHBondContact N-OD2 2.84Å; D301-D304 WeakPolarHBondContact O-CB 3.42Å; D301-D304 PolarHBondContact O-N 3.05Å; F302-D304 VanDerWaalsContact C-N 3.28Å; F302-D304 PolarHBondContact O-N 3.34Å; D304-L307 PolarHBondContact O-N 3.26Å; D304-L308 HydrophobicContact CB-CD1 4.34Å; D304-L308 WeakPolarHBondContact O-CA 3.23Å; D304-L308 WeakPolarHBondContact O-CB 3.12Å; D304-L308 WeakPolarHBondContact O-CG 3.25Å; D304-L308 PolarHBondContact O-N 3.45Å
305L88.3Confident78.1Confident19 Ų1975.5 Ų75.510%0.09938%0.382CS..Hα-helixtrans-68.9-40.3178.2-69.5168.9000112.4A156 K300 D301 F302 V303 L307 S309A156-L305 HydrophobicContact CB-CD1 3.29Å; K300-L305 HydrophobicContact CB-CD2 4.08Å; K300-L305 HydrophobicContact CB-CG 4.1Å; K300-L305 HydrophobicContact CD-CD2 4.32Å; D301-L305 WeakPolarHBondContact O-CG 3.43Å; D301-L305 PolarHBondContact O-N 3.34Å; F302-L305 WeakPolarHBondContact O-CB 3.46Å; F302-L305 PolarHBondContact O-N 3.32Å; F302-L305 VanDerWaalsContact O-N 3.08Å; V303-L305 VanDerWaalsContact C-N 3.29Å; V303-L305 PolarHBondContact O-N 3.29Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 PolarHBondContact O-N 2.92Å; L305-S309 WeakPolarHBondContact CA-OG 3.31Å; L305-S309 WeakPolarHBondContact O-CB 3.3Å; L305-S309 PolarHBondContact O-N 3.35Å; L305-S309 PolarHBondContact O-OG 2.98Å
306I91.7Very high80.2Confident1 Ų172.7 Ų72.71%0.00536%0.362CS..Hα-helixtrans-69.3-28.5174.764.2-179.1000112.2L153 F302 V303 L317 I322 E325 A326L153-I306 HydrophobicContact CD2-CG2 3.57Å; F302-I306 HydrophobicContact CD2-CG2 4.5Å; F302-I306 HydrophobicContact CE1-CD1 3.98Å; F302-I306 HydrophobicContact CE1-CG2 3.94Å; F302-I306 HydrophobicContact CE2-CG2 3.86Å; F302-I306 HydrophobicContact CZ-CG2 3.53Å; F302-I306 PolarHBondContact O-N 2.88Å; V303-I306 HydrophobicContact CG2-CD1 4.42Å; V303-I306 WeakPolarHBondContact O-CG1 3.31Å; V303-I306 PolarHBondContact O-N 3Å; I306-L317 HydrophobicContact CB-CD1 4.02Å; I306-L317 HydrophobicContact CG2-CD1 4.19Å; I306-I322 HydrophobicContact CD1-CG2 3.93Å; I306-I322 HydrophobicContact CG1-CG2 4.18Å; I306-I322 WeakPolarHBondContact O-CG1 3.19Å; I306-E325 HydrophobicContact CG2-CB 4.21Å; I306-A326 HydrophobicContact CD1-CB 4.24Å
307L91.8Very high82.6Confident33 Ų3365.1 Ų65.117%0.17333%0.327CS..Hα-helixtrans-83.2-31.7179-71.4173.3000113.5V273 R276 R277 I280 V303 D304 L305 I322V273-L307 HydrophobicContact CG1-CD2 4.1Å; R276-L307 HydrophobicContact CB-CD1 4.25Å; R276-L307 HydrophobicContact CG-CD1 3.91Å; R277-L307 HydrophobicContact CB-CD1 4.33Å; R277-L307 HydrophobicContact CB-CD2 4.34Å; I280-L307 HydrophobicContact CD1-CB 4.36Å; I280-L307 HydrophobicContact CD1-CD1 3.72Å; V303-L307 HydrophobicContact CG2-CD1 3.99Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 WeakPolarHBondContact O-CD1 3.23Å; V303-L307 WeakPolarHBondContact O-CG 3.32Å; V303-L307 PolarHBondContact O-N 3.13Å; V303-L307 VanDerWaalsContact O-N 3.1Å; D304-L307 PolarHBondContact O-N 3.26Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 PolarHBondContact O-N 2.92Å; L307-I322 HydrophobicContact CD2-CD1 4.32Å; L307-I322 HydrophobicContact CD2-CG2 4.3Å
308L88.7Confident84.7Confident41 Ų4159.5 Ų59.522%0.21531%0.305CS..Hα-helixtrans-116.7-18.5-166.9-58.1-179.3000114.6I280 K300 D304I280-L308 HydrophobicContact CD1-CD1 4.37Å; I280-L308 HydrophobicContact CD1-CG 4.42Å; I280-L308 HydrophobicContact CG2-CD2 4.12Å; K300-L308 HydrophobicContact CD-CD1 4.17Å; D304-L308 HydrophobicContact CB-CD1 4.34Å; D304-L308 WeakPolarHBondContact O-CA 3.23Å; D304-L308 WeakPolarHBondContact O-CB 3.12Å; D304-L308 WeakPolarHBondContact O-CG 3.25Å; D304-L308 PolarHBondContact O-N 3.45Å
309S84.8Confident86.4Confident24 Ų2456.7 Ų56.717%0.16830%0.297CS..  trans-71.3142.4-177.4-59.10000111.1L305 G316L305-S309 WeakPolarHBondContact CA-OG 3.31Å; L305-S309 WeakPolarHBondContact O-CB 3.3Å; L305-S309 PolarHBondContact O-N 3.35Å; L305-S309 PolarHBondContact O-OG 2.98Å; S309-G316 WeakPolarHBondContact O-CA 3.43Å
310K84.6Confident87.9Confident149 Ų14958.5 Ų58.565%0.64831%0.307SS*.  trans-123.8147.2173.8-68.1178.2168.6-162.80108.8G314 Q315K310-G314 VanDerWaalsContact CD-O 3.28Å; K310-G314 WeakPolarHBondContact CD-O 3.49Å; K310-Q315 CarbonylContact C-O 3.59Å; K310-Q315 WeakPolarHBondContact CA-O 3.44Å
311D83.5Confident88.8Confident23 Ų2355.5 Ų55.512%0.12330%0.295CS..  trans-79.2-174.3171.959.926.5000112.3R148 L152 D313 G314 Q315R148-D311 IonicContact CZ-OD2 3.72Å; R148-D311 IonicContact NE-OD2 3.31Å; R148-D311 PolarHBondContact NE-OD2 2.98Å; R148-D311 IonicContact NH2-OD2 2.76Å; R148-D311 PolarHBondContact NH2-OD2 3.32Å; L152-D311 HydrophobicContact CD2-CB 4.39Å; D311-D313 PolarHBondContact O-N 2.94Å; D311-D313 PolarHBondContact OD1-N 3.41Å; D311-D313 VanDerWaalsContact OD1-N 3.11Å; D311-G314 PolarHBondContact O-N 2.99Å; D311-G314 PolarHBondContact OD1-N 2.93Å; D311-Q315 PolarHBondContact N-O 3.46Å; D311-Q315 WeakPolarHBondContact OD1-CA 3.48Å; D311-Q315 WeakPolarHBondContact OD1-CB 3.47Å; D311-Q315 PolarHBondContact OD1-N 3.48Å
312E81.3Confident89.3Confident152 Ų15254.4 Ų54.471%0.7129%0.289SS*.THydrogen-bonded Turntrans-60.4-25.9-178.5-68.3165.7-164.600112.4R151 G314R151-E312 IonicContact CZ-OE1 2.92Å; R151-E312 IonicContact NE-OE1 3.66Å; R151-E312 IonicContact NH1-OE1 2.76Å; R151-E312 PolarHBondContact NH1-OE1 3.45Å; R151-E312 IonicContact NH1-OE2 3.16Å; R151-E312 IonicContact NH2-OE1 2.83Å; E312-G314 VanDerWaalsContact C-N 3.31Å
313D84.7Confident89.6Confident137 Ų13755.6 Ų55.673%0.73330%0.295SS*.THydrogen-bonded Turntrans-91.36.1177.5-58.2-50.5000112.5D311 Q315D311-D313 PolarHBondContact O-N 2.94Å; D311-D313 PolarHBondContact OD1-N 3.41Å; D311-D313 VanDerWaalsContact OD1-N 3.11Å; D313-Q315 VanDerWaalsContact C-N 3.27Å; D313-Q315 HydrophobicContact CB-CG 4.29Å; D313-Q315 PolarHBondContact O-N 3.22Å
314G84.7Confident89.9Confident35 Ų3555.9 Ų55.936%0.36130%0.297SS..SBendtrans7511.9-178.300000114.4K310 D311 E312K310-G314 VanDerWaalsContact CD-O 3.28Å; K310-G314 WeakPolarHBondContact CD-O 3.49Å; D311-G314 PolarHBondContact O-N 2.99Å; D311-G314 PolarHBondContact OD1-N 2.93Å; E312-G314 VanDerWaalsContact C-N 3.31Å
315Q86.7Confident90.2Very high122 Ų12255.4 Ų55.457%0.5729%0.294SS*.  trans-91.7132-178.6-57.8-58.2-35.300111.4K310 D311 D313K310-Q315 CarbonylContact C-O 3.59Å; K310-Q315 WeakPolarHBondContact CA-O 3.44Å; D311-Q315 PolarHBondContact N-O 3.46Å; D311-Q315 WeakPolarHBondContact OD1-CA 3.48Å; D311-Q315 WeakPolarHBondContact OD1-CB 3.47Å; D311-Q315 PolarHBondContact OD1-N 3.48Å; D313-Q315 VanDerWaalsContact C-N 3.27Å; D313-Q315 HydrophobicContact CB-CG 4.29Å; D313-Q315 PolarHBondContact O-N 3.22Å
316G88.6Confident90.6Very high32 Ų3254.5 Ų54.533%0.3329%0.29SS..  trans-81.5-175173.600000113R148 S309R148-G316 PolarHBondContact NH2-O 3.01Å; S309-G316 WeakPolarHBondContact O-CA 3.43Å
317L91.6Very high90.9Very high20 Ų2054.6 Ų54.611%0.10529%0.29CS..  trans-77143.4165.6-64.2179.4000109.9K149 L152 I306 E321 I322 E325K149-L317 HydrophobicContact CG-CD2 4.49Å; L152-L317 HydrophobicContact CD1-CD2 4.08Å; I306-L317 HydrophobicContact CB-CD1 4.02Å; I306-L317 HydrophobicContact CG2-CD1 4.19Å; L317-E321 WeakPolarHBondContact CA-OE2 3.2Å; L317-E321 HydrophobicContact CB-CB 4.01Å; L317-E321 HydrophobicContact CD2-CB 4.22Å; L317-I322 HydrophobicContact CB-CD1 4.3Å; L317-I322 HydrophobicContact CB-CG1 3.66Å; L317-I322 HydrophobicContact CD1-CG1 4.41Å; L317-E325 HydrophobicContact CD1-CG 4.39Å
318T93.7Very high91.1Very high69 Ų6953.3 Ų53.342%0.42328%0.284SS..  trans-70.8163.4170.383.50000110.8E320 E321 I322T318-E320 WeakPolarHBondContact CB-OE2 3.22Å; T318-E320 PolarHBondContact O-N 3.24Å; T318-E320 PolarHBondContact OG1-N 3.47Å; T318-E320 PolarHBondContact OG1-OE2 3.48Å; T318-E321 PolarHBondContact N-OE2 3.23Å; T318-E321 VanDerWaalsContact N-OE2 3.1Å; T318-E321 WeakPolarHBondContact O-CB 3.21Å; T318-E321 PolarHBondContact O-N 3.21Å; T318-E321 PolarHBondContact OG1-N 3.15Å; T318-I322 VanDerWaalsContact O-CG1 3.29Å; T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.01Å
319D93.6Very high91.4Very high94 Ų9452.3 Ų52.350%0.50328%0.278SS..Hα-helixtrans-61.2-33178-75.5-23.8000112.2R277 Q323R277-D319 IonicContact CZ-OD1 3.49Å; R277-D319 VanDerWaalsContact CZ-OD1 3.3Å; R277-D319 IonicContact NH1-OD1 3.47Å; R277-D319 PolarHBondContact NH1-OD1 3.42Å; R277-D319 IonicContact NH1-OD2 2.71Å; R277-D319 IonicContact NH2-OD1 2.72Å; R277-D319 PolarHBondContact NH2-OD1 3.14Å; D319-Q323 VanDerWaalsContact O-CB 3.29Å; D319-Q323 WeakPolarHBondContact O-CB 3.37Å; D319-Q323 PolarHBondContact O-N 3.16Å
320E94.6Very high91.9Very high141 Ų14151.2 Ų51.266%0.65927%0.27SS*.Hα-helixtrans-66.6-40.3172.6-59.674.5-161.500112T318 A324T318-E320 WeakPolarHBondContact CB-OE2 3.22Å; T318-E320 PolarHBondContact O-N 3.24Å; T318-E320 PolarHBondContact OG1-N 3.47Å; T318-E320 PolarHBondContact OG1-OE2 3.48Å; E320-A324 VanDerWaalsContact O-CB 3.28Å; E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 2.95Å
321E95.1Very high92.4Very high30 Ų3044.9 Ų44.914%0.1424%0.242CC..Hα-helixtrans-66.3-44.2175.5-67.2-173.4124.300111.1R148 K149 L317 T318 Q323 A324 E325R148-E321 IonicContact NH1-OE1 3.66Å; R148-E321 IonicContact NH1-OE2 2.74Å; R148-E321 PolarHBondContact NH1-OE2 3.04Å; K149-E321 WeakPolarHBondContact CE-OE1 3.41Å; K149-E321 IonicContact NZ-OE1 2.72Å; K149-E321 PolarHBondContact NZ-OE1 2.93Å; L317-E321 WeakPolarHBondContact CA-OE2 3.2Å; L317-E321 HydrophobicContact CB-CB 4.01Å; L317-E321 HydrophobicContact CD2-CB 4.22Å; T318-E321 PolarHBondContact N-OE2 3.23Å; T318-E321 VanDerWaalsContact N-OE2 3.1Å; T318-E321 WeakPolarHBondContact O-CB 3.21Å; T318-E321 PolarHBondContact O-N 3.21Å; T318-E321 PolarHBondContact OG1-N 3.15Å; E321-Q323 VanDerWaalsContact C-N 3.34Å; E321-Q323 PolarHBondContact O-N 2.84Å; E321-A324 WeakPolarHBondContact O-CB 3.44Å; E321-A324 PolarHBondContact O-N 3.24Å; E321-E325 WeakPolarHBondContact O-CG 3.32Å; E321-E325 PolarHBondContact O-N 3.47Å
322I96.2Very high93Very high7 Ų745.5 Ų45.54%0.03625%0.251CS..Hα-helixtrans-58.7-47.6176.4-68.4167.7000110.1V273 R277 I306 L307 L317 T318 A324 E325 A326V273-I322 HydrophobicContact CG1-CG2 3.71Å; R277-I322 VanDerWaalsContact NH2-CD1 3.33Å; I306-I322 HydrophobicContact CD1-CG2 3.93Å; I306-I322 HydrophobicContact CG1-CG2 4.18Å; I306-I322 WeakPolarHBondContact O-CG1 3.19Å; L307-I322 HydrophobicContact CD2-CD1 4.32Å; L307-I322 HydrophobicContact CD2-CG2 4.3Å; L317-I322 HydrophobicContact CB-CD1 4.3Å; L317-I322 HydrophobicContact CB-CG1 3.66Å; L317-I322 HydrophobicContact CD1-CG1 4.41Å; T318-I322 VanDerWaalsContact O-CG1 3.29Å; T318-I322 WeakPolarHBondContact O-CG1 3.45Å; T318-I322 PolarHBondContact O-N 3.01Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.18Å; I322-E325 PolarHBondContact O-N 3.31Å; I322-A326 VanDerWaalsContact O-CB 3.26Å; I322-A326 WeakPolarHBondContact O-CB 3.48Å; I322-A326 PolarHBondContact O-N 2.84Å
323Q95.8Very high93.6Very high28 Ų2839 Ų3913%0.13123%0.225CC..Hα-helixtrans-62.2-41177.3-178.562.464.200112T269 D319 E321 N327T269-Q323 PolarHBondContact OG1-NE2 2.74Å; D319-Q323 VanDerWaalsContact O-CB 3.29Å; D319-Q323 WeakPolarHBondContact O-CB 3.37Å; D319-Q323 PolarHBondContact O-N 3.16Å; E321-Q323 VanDerWaalsContact C-N 3.34Å; E321-Q323 PolarHBondContact O-N 2.84Å; Q323-N327 PolarHBondContact NE2-ND2 2.96Å; Q323-N327 PolarHBondContact NE2-OD1 3.1Å; Q323-N327 WeakPolarHBondContact O-CB 3.47Å; Q323-N327 VanDerWaalsContact O-CG 3.32Å; Q323-N327 PolarHBondContact O-N 3Å; Q323-N327 PolarHBondContact O-ND2 3.42Å
324A96.9Very high94.2Very high6 Ų632.5 Ų32.55%0.0519%0.19CC..Hα-helixtrans-64.5-46.2177.500000112.1L134 S137 E320 E321 I322 T328L134-A324 WeakPolarHBondContact O-CA 3.42Å; L134-A324 VanDerWaalsContact O-CB 3.32Å; L134-A324 WeakPolarHBondContact O-CB 3.36Å; S137-A324 WeakPolarHBondContact CB-O 3.49Å; E320-A324 VanDerWaalsContact O-CB 3.28Å; E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 2.95Å; E321-A324 WeakPolarHBondContact O-CB 3.44Å; E321-A324 PolarHBondContact O-N 3.24Å; I322-A324 VanDerWaalsContact C-N 3.34Å; I322-A324 PolarHBondContact O-N 3.18Å; A324-T328 WeakPolarHBondContact O-CB 3.39Å; A324-T328 PolarHBondContact O-N 3.05Å; A324-T328 PolarHBondContact O-OG1 2.83Å
325E97.3Very high94.7Very high0 Ų030.9 Ų30.90%017%0.173CC..Hα-helixtrans-65.3-45.6176.1-63.5-52.9159.600111.1S137 L138 K149 L153 F302 I306 L317 E321 I322 N327 T328 F329S137-E325 VanDerWaalsContact C-OE1 3.28Å; S137-E325 VanDerWaalsContact CA-OE1 3.24Å; S137-E325 WeakPolarHBondContact CA-OE1 3.29Å; L138-E325 WeakPolarHBondContact CB-OE2 3.47Å; L138-E325 VanDerWaalsContact N-CD 3.3Å; L138-E325 PolarHBondContact N-OE1 2.96Å; L138-E325 PolarHBondContact N-OE2 3Å; K149-E325 WeakPolarHBondContact CD-OE1 3.45Å; L153-E325 HydrophobicContact CD1-CG 4.11Å; F302-E325 HydrophobicContact CZ-CB 4.26Å; I306-E325 HydrophobicContact CG2-CB 4.21Å; L317-E325 HydrophobicContact CD1-CG 4.39Å; E321-E325 WeakPolarHBondContact O-CG 3.32Å; E321-E325 PolarHBondContact O-N 3.47Å; I322-E325 PolarHBondContact O-N 3.31Å; E325-N327 PolarHBondContact O-N 3.42Å; E325-T328 PolarHBondContact O-N 3.35Å; E325-T328 VanDerWaalsContact O-N 3.1Å; E325-F329 WeakPolarHBondContact O-CD2 3.37Å; E325-F329 PolarHBondContact O-N 3.3Å
326A96.9Very high95.2Very high0 Ų026.8 Ų26.80%016%0.156CC..Hα-helixtrans-56.7-49.1176.600000112.1F210 V273 I306 I322 T328 M330F210-A326 HydrophobicContact CE1-CB 3.97Å; V273-A326 HydrophobicContact CG2-CB 3.66Å; I306-A326 HydrophobicContact CD1-CB 4.24Å; I322-A326 VanDerWaalsContact O-CB 3.26Å; I322-A326 WeakPolarHBondContact O-CB 3.48Å; I322-A326 PolarHBondContact O-N 2.84Å; A326-T328 VanDerWaalsContact C-N 3.29Å; A326-T328 PolarHBondContact O-N 3.41Å; A326-M330 WeakPolarHBondContact O-CB 3.18Å; A326-M330 PolarHBondContact O-N 3.43Å
327N96.9Very high95.7Very high3 Ų325.4 Ų25.42%0.01614%0.142CC..Hα-helixtrans-56.1-44174.9-80.9-44.4000112.1W133 L134 H266 T269 Q323 E325 F331W133-N327 PolarHBondContact O-ND2 3.07Å; L134-N327 HydrophobicContact CD2-CB 4.24Å; H266-N327 PolarHBondContact CD2-ND2 2.89Å; H266-N327 VanDerWaalsContact CD2-ND2 3.27Å; H266-N327 PolarHBondContact NE2-ND2 3.24Å; T269-N327 WeakPolarHBondContact CB-OD1 3.49Å; T269-N327 VanDerWaalsContact CG2-OD1 3.25Å; T269-N327 WeakPolarHBondContact CG2-OD1 3.1Å; T269-N327 PolarHBondContact OG1-OD1 2.88Å; Q323-N327 PolarHBondContact NE2-ND2 2.96Å; Q323-N327 PolarHBondContact NE2-OD1 3.1Å; Q323-N327 WeakPolarHBondContact O-CB 3.47Å; Q323-N327 VanDerWaalsContact O-CG 3.32Å; Q323-N327 PolarHBondContact O-N 3Å; Q323-N327 PolarHBondContact O-ND2 3.42Å; E325-N327 PolarHBondContact O-N 3.42Å; N327-F331 WeakPolarHBondContact O-CB 3.33Å; N327-F331 PolarHBondContact O-N 2.69Å
328T96.6Very high96Very high6 Ų624.5 Ų24.54%0.03714%0.137CC..Hα-helixtrans-69.6-47.1-175.1-62.50000112.5L134 S137 L139 A324 E325 A326 A332L134-T328 PolarHBondContact O-OG1 3.05Å; S137-T328 WeakPolarHBondContact CB-OG1 3.45Å; S137-T328 WeakPolarHBondContact OG-CG2 3.26Å; S137-T328 PolarHBondContact OG-OG1 3.49Å; L139-T328 HydrophobicContact CB-CG2 3.63Å; L139-T328 HydrophobicContact CD2-CG2 4.44Å; A324-T328 WeakPolarHBondContact O-CB 3.39Å; A324-T328 PolarHBondContact O-N 3.05Å; A324-T328 PolarHBondContact O-OG1 2.83Å; E325-T328 PolarHBondContact O-N 3.35Å; E325-T328 VanDerWaalsContact O-N 3.1Å; A326-T328 VanDerWaalsContact C-N 3.29Å; A326-T328 PolarHBondContact O-N 3.41Å; T328-A332 WeakPolarHBondContact O-CB 3.5Å; T328-A332 PolarHBondContact O-N 2.99Å
329F95.9Very high96.2Very high21 Ų2121.2 Ų21.29%0.09212%0.116CC..Hα-helixtrans-71.6-35.9-179.9-82.5-95000111.6L138 L153 F157 F210 F302 E325 G333 I473L138-F329 HydrophobicContact CB-CE2 4.31Å; L138-F329 HydrophobicContact CD2-CE2 4.09Å; L138-F329 HydrophobicContact CD2-CZ 3.7Å; L153-F329 HydrophobicContact CD1-CE2 3.73Å; L153-F329 HydrophobicContact CD1-CZ 4.01Å; F157-F329 HydrophobicContact CE1-CE1 4.36Å; F157-F329 HydrophobicContact CE2-CD1 4.28Å; F157-F329 AromaticContact CE2-CE1 3.46Å; F157-F329 HydrophobicContact CE2-CE1 3.46Å; F157-F329 VanDerWaalsContact CE2-CE1 3.46Å; F157-F329 HydrophobicContact CE2-CZ 4.14Å; F157-F329 AromaticContact CZ-CD1 3.66Å; F157-F329 HydrophobicContact CZ-CD1 3.66Å; F157-F329 AromaticContact CZ-CE1 3.25Å; F157-F329 HydrophobicContact CZ-CE1 3.25Å; F157-F329 HydrophobicContact CZ-CZ 4.32Å; F210-F329 HydrophobicContact CZ-CB 4.34Å; F302-F329 HydrophobicContact CD1-CB 4.34Å; F302-F329 HydrophobicContact CD1-CG 4.49Å; F302-F329 HydrophobicContact CD2-CD1 4.13Å; F302-F329 HydrophobicContact CD2-CE1 4.23Å; F302-F329 HydrophobicContact CD2-CG 4.33Å; F302-F329 HydrophobicContact CD2-CZ 4.48Å; F302-F329 HydrophobicContact CE1-CB 3.68Å; F302-F329 HydrophobicContact CE1-CD1 4.45Å; F302-F329 HydrophobicContact CE1-CD2 4.03Å; F302-F329 AromaticContact CE1-CG 3.79Å; F302-F329 HydrophobicContact CE1-CG 3.79Å; F302-F329 HydrophobicContact CE2-CB 4.39Å; F302-F329 AromaticContact CE2-CD1 3.71Å; F302-F329 HydrophobicContact CE2-CD1 3.71Å; F302-F329 AromaticContact CE2-CD2 3.54Å; F302-F329 HydrophobicContact CE2-CD2 3.54Å; F302-F329 AromaticContact CE2-CE1 3.76Å; F302-F329 HydrophobicContact CE2-CE1 3.76Å; F302-F329 AromaticContact CE2-CE2 3.56Å; F302-F329 HydrophobicContact CE2-CE2 3.56Å; F302-F329 AromaticContact CE2-CG 3.59Å; F302-F329 HydrophobicContact CE2-CG 3.59Å; F302-F329 AromaticContact CE2-CZ 3.65Å; F302-F329 HydrophobicContact CE2-CZ 3.65Å; F302-F329 HydrophobicContact CZ-CB 3.72Å; F302-F329 AromaticContact CZ-CD1 3.91Å; F302-F329 HydrophobicContact CZ-CD1 3.91Å; F302-F329 AromaticContact CZ-CD2 3.16Å; F302-F329 HydrophobicContact CZ-CD2 3.16Å; F302-F329 HydrophobicContact CZ-CE1 4.33Å; F302-F329 AromaticContact CZ-CE2 3.64Å; F302-F329 HydrophobicContact CZ-CE2 3.64Å; F302-F329 AromaticContact CZ-CG 3.29Å; F302-F329 HydrophobicContact CZ-CG 3.29Å; F302-F329 HydrophobicContact CZ-CZ 4.18Å; E325-F329 WeakPolarHBondContact O-CD2 3.37Å; E325-F329 PolarHBondContact O-N 3.3Å; F329-G333 WeakPolarHBondContact O-CA 3.41Å; F329-G333 PolarHBondContact O-N 3.31Å; F329-I473 HydrophobicContact CE1-CG2 3.7Å; F329-I473 HydrophobicContact CZ-CG2 3.92Å
330M95.1Very high96.5Very high0 Ų016.9 Ų16.90%09%0.094CC..Hα-helixtrans-63.8-46.6175.4-157.2176.8-60.100111L202 L205 L206 F210 Y223 F268 T269 V272 A326 H334L202-M330 HydrophobicContact CD1-CG 4.41Å; L205-M330 VanDerWaalsContact CD2-O 3.27Å; L205-M330 WeakPolarHBondContact CD2-O 3.32Å; L206-M330 HydrophobicContact CD2-CE 4.1Å; L206-M330 HydrophobicContact CD2-CG 4.43Å; L206-M330 HydrophobicContact CD2-SD 4.11Å; F210-M330 HydrophobicContact CD1-CE 4.07Å; F210-M330 HydrophobicContact CD2-CE 4.35Å; F210-M330 HydrophobicContact CE1-CE 3.8Å; F210-M330 HydrophobicContact CE2-CB 4.06Å; F210-M330 HydrophobicContact CE2-CE 4.1Å; F210-M330 HydrophobicContact CE2-CG 4.28Å; F210-M330 HydrophobicContact CG-CE 4.33Å; F210-M330 HydrophobicContact CZ-CB 4Å; F210-M330 HydrophobicContact CZ-CE 3.82Å; Y223-M330 HydrophobicContact CE1-CG 4.22Å; Y223-M330 HydrophobicContact CE1-SD 4.2Å; Y223-M330 HydrophobicContact CE2-SD 3.82Å; Y223-M330 VanDerWaalsContact CZ-SD 3.51Å; Y223-M330 WeakPolarHBondContact OH-CB 3.41Å; Y223-M330 WeakPolarHBondContact OH-CG 3.28Å; Y223-M330 PolarHBondContact OH-SD 2.86Å; F268-M330 HydrophobicContact CD1-SD 3.65Å; F268-M330 HydrophobicContact CE1-CE 4.47Å; F268-M330 HydrophobicContact CE1-SD 3.55Å; F268-M330 VanDerWaalsContact CE1-SD 3.55Å; T269-M330 HydrophobicContact CG2-CB 4.46Å; T269-M330 HydrophobicContact CG2-CE 3.51Å; T269-M330 HydrophobicContact CG2-SD 3.47Å; T269-M330 WeakPolarHBondContact CG2-SD 3.25Å; V272-M330 HydrophobicContact CB-CE 4.48Å; V272-M330 HydrophobicContact CG1-CE 4.37Å; A326-M330 WeakPolarHBondContact O-CB 3.18Å; A326-M330 PolarHBondContact O-N 3.43Å; M330-H334 PolarHBondContact O-CE1 3.33Å; M330-H334 PolarHBondContact O-ND1 2.65Å
331F94.6Very high96.7Very high16 Ų1610.1 Ų10.17%0.076%0.062CC..Hα-helixtrans-63.1-59173.6164.6-120.3000112.7W133 L134 I227 N327 G333 H334 D335 L516W133-F331 HydrophobicContact CH2-CB 4.05Å; W133-F331 AromaticContact CH2-CD1 3.86Å; W133-F331 HydrophobicContact CH2-CD1 3.86Å; W133-F331 AromaticContact CH2-CD2 3.25Å; W133-F331 HydrophobicContact CH2-CD2 3.25Å; W133-F331 HydrophobicContact CH2-CE1 4.12Å; W133-F331 AromaticContact CH2-CE2 3.54Å; W133-F331 HydrophobicContact CH2-CE2 3.54Å; W133-F331 AromaticContact CH2-CG 3.42Å; W133-F331 HydrophobicContact CH2-CG 3.42Å; W133-F331 VanDerWaalsContact CH2-CG 3.42Å; W133-F331 AromaticContact CH2-CZ 3.97Å; W133-F331 HydrophobicContact CH2-CZ 3.97Å; W133-F331 HydrophobicContact CZ2-CB 3.66Å; W133-F331 HydrophobicContact CZ2-CD1 4.26Å; W133-F331 AromaticContact CZ2-CD2 3.7Å; W133-F331 HydrophobicContact CZ2-CD2 3.7Å; W133-F331 HydrophobicContact CZ2-CE2 4.42Å; W133-F331 AromaticContact CZ2-CG 3.59Å; W133-F331 HydrophobicContact CZ2-CG 3.59Å; W133-F331 HydrophobicContact CZ3-CD1 4.28Å; W133-F331 HydrophobicContact CZ3-CD2 4.26Å; W133-F331 HydrophobicContact CZ3-CE1 4.26Å; W133-F331 HydrophobicContact CZ3-CE2 4.23Å; W133-F331 HydrophobicContact CZ3-CG 4.27Å; W133-F331 HydrophobicContact CZ3-CZ 4.23Å; L134-F331 HydrophobicContact CD1-CD1 4.25Å; L134-F331 HydrophobicContact CD2-CB 4.48Å; L134-F331 HydrophobicContact CD2-CD1 4.46Å; I227-F331 HydrophobicContact CG2-CD2 4.16Å; I227-F331 HydrophobicContact CG2-CE2 4.41Å; N327-F331 WeakPolarHBondContact O-CB 3.33Å; N327-F331 PolarHBondContact O-N 2.69Å; F331-G333 VanDerWaalsContact C-N 3.26Å; F331-G333 PolarHBondContact O-N 2.93Å; F331-H334 PolarHBondContact O-ND1 3.22Å; F331-D335 HydrophobicContact CD2-CB 4.18Å; F331-D335 HydrophobicContact CE2-CB 4.08Å; F331-D335 WeakPolarHBondContact CE2-OD2 3.43Å; F331-D335 PolarHBondContact O-N 3.23Å; F331-L516 HydrophobicContact CE2-CD1 4.47Å; F331-L516 HydrophobicContact CZ-CB 4.05Å; F331-L516 HydrophobicContact CZ-CD1 3.9Å
332A95.8Very high96.8Very high36 Ų368.7 Ų8.730%0.2986%0.056SC..Hα-helixtrans-66.1-29.5-170.400000112.9T328 T336T328-A332 WeakPolarHBondContact O-CB 3.5Å; T328-A332 PolarHBondContact O-N 2.99Å; A332-T336 WeakPolarHBondContact O-CG2 3.26Å; A332-T336 PolarHBondContact O-OG1 2.87Å
333G94.4Very high97Very high16 Ų168.5 Ų8.517%0.1655%0.054CC..Hα-helixtrans-77-26.9-173.900000115.4F329 F331 T337F329-G333 WeakPolarHBondContact O-CA 3.41Å; F329-G333 PolarHBondContact O-N 3.31Å; F331-G333 VanDerWaalsContact C-N 3.26Å; F331-G333 PolarHBondContact O-N 2.93Å; G333-T337 PolarHBondContact O-OG1 3.48Å
334H96.3Very high97.1Very high0 Ų07.1 Ų7.10%05%0.048CC..Hα-helixtrans-110.7-40.4-175.680.9-71.2000113.3T201 L202 L205 M330 F331 T336 T337 A338T201-H334 PolarHBondContact OG1-O 2.77Å; L202-H334 HydrophobicContact CB-CB 4.25Å; L205-H334 HydrophobicContact CB-CB 4.45Å; L205-H334 HydrophobicContact CD2-CB 3.96Å; M330-H334 PolarHBondContact O-CE1 3.33Å; M330-H334 PolarHBondContact O-ND1 2.65Å; F331-H334 PolarHBondContact O-ND1 3.22Å; H334-T336 PolarHBondContact O-N 3.19Å; H334-T337 PolarHBondContact O-N 3.43Å; H334-T337 PolarHBondContact O-OG1 3.35Å; H334-A338 VanDerWaalsContact O-CB 3.27Å; H334-A338 WeakPolarHBondContact O-CB 3.23Å; H334-A338 PolarHBondContact O-N 2.93Å
335D95.1Very high97.2Very high2 Ų26.9 Ų6.91%0.0115%0.046CC..Hα-helixtrans-72-35.1-172.3-160.135.8000111F331 S339 V517 R519F331-D335 HydrophobicContact CD2-CB 4.18Å; F331-D335 HydrophobicContact CE2-CB 4.08Å; F331-D335 WeakPolarHBondContact CE2-OD2 3.43Å; F331-D335 PolarHBondContact O-N 3.23Å; D335-S339 PolarHBondContact O-N 3.07Å; D335-V517 HydrophobicContact CB-CG1 4.34Å; D335-V517 WeakPolarHBondContact OD2-CG2 3.45Å; D335-R519 IonicContact OD1-CZ 3.49Å; D335-R519 IonicContact OD1-NH2 2.72Å; D335-R519 PolarHBondContact OD1-NH2 3.41Å
336T98.1Very high97.2Very high36 Ų367.5 Ų7.522%0.2215%0.048CC..Hα-helixtrans-72.4-39.6177650000112.8A332 H334 A340 P398 V517A332-T336 WeakPolarHBondContact O-CG2 3.26Å; A332-T336 PolarHBondContact O-OG1 2.87Å; H334-T336 PolarHBondContact O-N 3.19Å; T336-A340 PolarHBondContact O-N 2.8Å; T336-A340 VanDerWaalsContact O-N 3.12Å; T336-P398 WeakPolarHBondContact O-CG 3.38Å; T336-V517 HydrophobicContact CG2-CG1 3.8Å
337T98.4Very high97.3Very high3 Ų37.6 Ų7.62%0.0185%0.049CC..Hα-helixtrans-74.3-34.7178.4570000111.3T201 G333 H334 S339 A340 I341 A478 E481 L482T201-T337 WeakPolarHBondContact CG2-OG1 3.32Å; G333-T337 PolarHBondContact O-OG1 3.48Å; H334-T337 PolarHBondContact O-N 3.43Å; H334-T337 PolarHBondContact O-OG1 3.35Å; T337-S339 PolarHBondContact O-N 3.5Å; T337-A340 PolarHBondContact O-N 2.86Å; T337-I341 WeakPolarHBondContact O-CB 3.19Å; T337-I341 VanDerWaalsContact O-CG1 3.27Å; T337-I341 WeakPolarHBondContact O-CG1 3.26Å; T337-I341 PolarHBondContact O-N 2.72Å; T337-A478 HydrophobicContact CG2-CB 3.66Å; T337-E481 WeakPolarHBondContact CB-OE2 3.43Å; T337-E481 VanDerWaalsContact CG2-OE2 3.26Å; T337-E481 WeakPolarHBondContact CG2-OE2 3.39Å; T337-E481 PolarHBondContact OG1-OE2 3.37Å; T337-L482 HydrophobicContact CG2-CD1 3.93Å
338A98.4Very high97.4Very high0 Ų07.5 Ų7.50%05%0.048CC..Hα-helixtrans-58-50.5172.400000111.5V197 T198 T201 H334 A340 I341 C342V197-A338 HydrophobicContact CG1-CB 4.23Å; T198-A338 WeakPolarHBondContact OG1-CB 3.37Å; T201-A338 HydrophobicContact CG2-CB 4.31Å; H334-A338 VanDerWaalsContact O-CB 3.27Å; H334-A338 WeakPolarHBondContact O-CB 3.23Å; H334-A338 PolarHBondContact O-N 2.93Å; A338-A340 VanDerWaalsContact C-N 3.34Å; A338-A340 PolarHBondContact O-N 3.01Å; A338-I341 PolarHBondContact O-N 3.14Å; A338-C342 WeakPolarHBondContact O-CB 3.37Å; A338-C342 PolarHBondContact O-N 2.94Å; A338-C342 PolarHBondContact O-SG 3.09Å
339S98.6Very high97.5Very high0 Ų07.3 Ų7.30%05%0.047CC..Hα-helixtrans-53.7-49.6173.7177.40000111.9D335 T337 I341 C342 W343 L518D335-S339 PolarHBondContact O-N 3.07Å; T337-S339 PolarHBondContact O-N 3.5Å; S339-I341 PolarHBondContact O-N 3.27Å; S339-C342 PolarHBondContact O-N 2.98Å; S339-W343 PolarHBondContact O-N 2.87Å; S339-L518 WeakPolarHBondContact CB-O 3.47Å; S339-L518 PolarHBondContact OG-O 3.32Å
340A98.8Very high97.5Very high3 Ų312.2 Ų12.23%0.0257%0.065CC..Hα-helixtrans-63.9-41.1-178.300000113.4T336 T337 A338 T344 L393 P398 L482T336-A340 PolarHBondContact O-N 2.8Å; T336-A340 VanDerWaalsContact O-N 3.12Å; T337-A340 PolarHBondContact O-N 2.86Å; A338-A340 VanDerWaalsContact C-N 3.34Å; A338-A340 PolarHBondContact O-N 3.01Å; A340-T344 VanDerWaalsContact O-CB 3.32Å; A340-T344 WeakPolarHBondContact O-CB 3.33Å; A340-T344 PolarHBondContact O-N 3.27Å; A340-T344 PolarHBondContact O-OG1 3.06Å; A340-L393 HydrophobicContact CB-CD2 3.66Å; A340-P398 HydrophobicContact CB-CG 3.82Å; A340-L482 HydrophobicContact CB-CD1 4.25Å; A340-L482 HydrophobicContact CB-CD2 3.61Å; A340-L482 HydrophobicContact CB-CG 4.22Å
341I98.9Very high97.7Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-65.9-52177.7-68.3164.4000109.6V197 M200 T201 T337 A338 S339 W343 T344 L345 E481 L482 V485V197-I341 HydrophobicContact CG1-CB 3.8Å; V197-I341 HydrophobicContact CG1-CD1 4.26Å; V197-I341 HydrophobicContact CG1-CG2 3.66Å; V197-I341 HydrophobicContact CG2-CG2 4.35Å; M200-I341 HydrophobicContact CE-CD1 3.98Å; T201-I341 HydrophobicContact CG2-CD1 3.77Å; T337-I341 WeakPolarHBondContact O-CB 3.19Å; T337-I341 VanDerWaalsContact O-CG1 3.27Å; T337-I341 WeakPolarHBondContact O-CG1 3.26Å; T337-I341 PolarHBondContact O-N 2.72Å; A338-I341 PolarHBondContact O-N 3.14Å; S339-I341 PolarHBondContact O-N 3.27Å; I341-W343 PolarHBondContact O-N 2.78Å; I341-T344 PolarHBondContact O-N 3.26Å; I341-L345 HydrophobicContact CG2-CD1 3.85Å; I341-L345 HydrophobicContact CG2-CG 4.22Å; I341-L345 WeakPolarHBondContact O-CG 3.48Å; I341-L345 PolarHBondContact O-N 2.82Å; I341-E481 HydrophobicContact CD1-CG 4.48Å; I341-L482 HydrophobicContact CG1-CD1 4.31Å; I341-L482 HydrophobicContact CG1-CG 3.92Å; I341-V485 HydrophobicContact CD1-CB 4.07Å; I341-V485 HydrophobicContact CD1-CG1 4.09Å; I341-V485 HydrophobicContact CD1-CG2 4.05Å; I341-V485 HydrophobicContact CG2-CG1 3.83Å
342C98.7Very high97.8Very high0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-53.4-50.2179.1-71.50000111.8F194 A338 S339 T344 L345 Y346 L524F194-C342 HydrophobicContact CD1-CB 4.43Å; F194-C342 HydrophobicContact CD2-CB 4.46Å; F194-C342 HydrophobicContact CE1-CB 4.1Å; F194-C342 HydrophobicContact CE2-CB 4.11Å; F194-C342 HydrophobicContact CZ-CB 3.91Å; A338-C342 WeakPolarHBondContact O-CB 3.37Å; A338-C342 PolarHBondContact O-N 2.94Å; A338-C342 PolarHBondContact O-SG 3.09Å; S339-C342 PolarHBondContact O-N 2.98Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 3.22Å; C342-L345 PolarHBondContact O-N 2.92Å; C342-Y346 WeakPolarHBondContact O-CB 3.34Å; C342-Y346 PolarHBondContact O-N 3.23Å; C342-L524 HydrophobicContact CB-CD2 3.86Å; C342-L524 VanDerWaalsContact O-CD2 3.31Å; C342-L524 WeakPolarHBondContact O-CD2 3.29Å
343W98.7Very high97.9Very high2 Ų220.5 Ų20.51%0.00811%0.105CC..Hα-helixtrans-66-34.3178.6-75.7116.4000113S339 I341 Y346 N347 S392 H396 V510 R512 L518 R519 A520 L524S339-W343 PolarHBondContact O-N 2.87Å; I341-W343 PolarHBondContact O-N 2.78Å; W343-Y346 AromaticContact CE3-CD1 3.77Å; W343-Y346 HydrophobicContact CE3-CD1 3.77Å; W343-Y346 HydrophobicContact CE3-CE1 4.3Å; W343-Y346 HydrophobicContact CE3-CG 4.46Å; W343-Y346 AromaticContact CZ3-CD1 3.8Å; W343-Y346 HydrophobicContact CZ3-CD1 3.8Å; W343-Y346 AromaticContact CZ3-CE1 3.9Å; W343-Y346 HydrophobicContact CZ3-CE1 3.9Å; W343-N347 WeakPolarHBondContact O-CB 3.44Å; W343-N347 VanDerWaalsContact O-CG 3.28Å; W343-N347 PolarHBondContact O-N 3.13Å; W343-N347 PolarHBondContact O-ND2 3.08Å; W343-S392 PolarHBondContact O-OG 3.2Å; W343-H396 HydrophobicContact CB-CB 3.6Å; W343-H396 HydrophobicContact CD2-CB 3.76Å; W343-H396 AromaticContact CD2-CD2 3.55Å; W343-H396 AromaticContact CD2-CG 3.66Å; W343-H396 HydrophobicContact CE3-CB 4.26Å; W343-H396 AromaticContact CE3-CD2 3.27Å; W343-H396 AromaticContact CE3-CG 3.63Å; W343-H396 AromaticContact CE3-NE2 3.59Å; W343-H396 HydrophobicContact CG-CB 3.44Å; W343-H396 VanDerWaalsContact CG-CB 3.44Å; W343-H396 AromaticContact CG-CG 3.84Å; W343-H396 AromaticContact CH2-CD2 3.99Å; W343-H396 AromaticContact CZ3-CD2 3.53Å; W343-H396 AromaticContact CZ3-NE2 3.61Å; W343-V510 HydrophobicContact CH2-CG1 3.8Å; W343-V510 HydrophobicContact CZ3-CG1 4.08Å; W343-R512 HydrophobicContact CH2-CG 3.66Å; W343-R512 HydrophobicContact CZ2-CG 3.93Å; W343-L518 HydrophobicContact CZ2-CD2 4.35Å; W343-L518 HydrophobicContact CZ2-CG 4.19Å; W343-L518 PolarHBondContact NE1-O 2.9Å; W343-R519 WeakPolarHBondContact CZ2-O 3.1Å; W343-A520 HydrophobicContact CH2-CB 4.22Å; W343-A520 HydrophobicContact CZ2-CB 4.21Å; W343-L524 HydrophobicContact CD2-CD2 4.36Å; W343-L524 HydrophobicContact CE3-CD1 4.46Å; W343-L524 HydrophobicContact CE3-CD2 4.25Å; W343-L524 HydrophobicContact CH2-CD1 4.29Å; W343-L524 HydrophobicContact CZ3-CD1 4.02Å
344T98.9Very high98.1Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-66-48176.1-580000111.3A340 I341 C342 Y346 N347 L348 I389 S392 V486A340-T344 VanDerWaalsContact O-CB 3.32Å; A340-T344 WeakPolarHBondContact O-CB 3.33Å; A340-T344 PolarHBondContact O-N 3.27Å; A340-T344 PolarHBondContact O-OG1 3.06Å; I341-T344 PolarHBondContact O-N 3.26Å; C342-T344 VanDerWaalsContact C-N 3.33Å; C342-T344 PolarHBondContact O-N 3.22Å; T344-Y346 VanDerWaalsContact C-N 3.32Å; T344-Y346 PolarHBondContact O-N 3.26Å; T344-N347 PolarHBondContact O-N 3.43Å; T344-L348 HydrophobicContact CG2-CD1 3.95Å; T344-L348 WeakPolarHBondContact O-CG 3.38Å; T344-L348 PolarHBondContact O-N 3.47Å; T344-I389 HydrophobicContact CG2-CG1 3.89Å; T344-S392 WeakPolarHBondContact CA-OG 3.2Å; T344-S392 PolarHBondContact N-OG 2.95Å; T344-S392 VanDerWaalsContact OG1-CB 3.23Å; T344-S392 WeakPolarHBondContact OG1-CB 3.28Å; T344-S392 PolarHBondContact OG1-OG 3.46Å; T344-S392 VanDerWaalsContact OG1-OG 3.07Å; T344-V486 HydrophobicContact CG2-CG1 4.14Å; T344-V486 HydrophobicContact CG2-CG2 3.92Å
345L98.8Very high98.2Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-62.1-40.5177.3-64-179.7000111.4M193 I341 C342 L348 A349 V486 T489 L495 L526M193-L345 HydrophobicContact CE-CD1 3.46Å; M193-L345 VanDerWaalsContact CE-CD1 3.46Å; I341-L345 HydrophobicContact CG2-CD1 3.85Å; I341-L345 HydrophobicContact CG2-CG 4.22Å; I341-L345 WeakPolarHBondContact O-CG 3.48Å; I341-L345 PolarHBondContact O-N 2.82Å; C342-L345 PolarHBondContact O-N 2.92Å; L345-L348 PolarHBondContact O-N 3.2Å; L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 3.09Å; L345-V486 HydrophobicContact CD2-CG1 4.33Å; L345-V486 HydrophobicContact CD2-CG2 4.22Å; L345-T489 HydrophobicContact CD1-CG2 4.15Å; L345-T489 HydrophobicContact CD2-CG2 3.86Å; L345-L495 HydrophobicContact CB-CD1 3.94Å; L345-L495 HydrophobicContact CD2-CD1 3.85Å; L345-L495 HydrophobicContact CG-CD1 4.34Å; L345-L526 HydrophobicContact CB-CD1 3.96Å
346Y98.2Very high98.4Very high14 Ų1425.7 Ų25.76%0.05512%0.123CC..Hα-helixtrans-63.4-44.7174.3170-101.4000113.4C342 W343 T344 L348 A349 R350 V510 L524 L526C342-Y346 WeakPolarHBondContact O-CB 3.34Å; C342-Y346 PolarHBondContact O-N 3.23Å; W343-Y346 AromaticContact CE3-CD1 3.77Å; W343-Y346 HydrophobicContact CE3-CD1 3.77Å; W343-Y346 HydrophobicContact CE3-CE1 4.3Å; W343-Y346 HydrophobicContact CE3-CG 4.46Å; W343-Y346 AromaticContact CZ3-CD1 3.8Å; W343-Y346 HydrophobicContact CZ3-CD1 3.8Å; W343-Y346 AromaticContact CZ3-CE1 3.9Å; W343-Y346 HydrophobicContact CZ3-CE1 3.9Å; T344-Y346 VanDerWaalsContact C-N 3.32Å; T344-Y346 PolarHBondContact O-N 3.26Å; Y346-L348 VanDerWaalsContact C-N 3.3Å; Y346-L348 PolarHBondContact O-N 3.34Å; Y346-A349 PolarHBondContact O-N 2.97Å; Y346-R350 HydrophobicContact CE2-CG 4.17Å; Y346-R350 WeakPolarHBondContact O-CG 3.49Å; Y346-R350 PolarHBondContact O-N 3.34Å; Y346-R350 VanDerWaalsContact OH-CD 3.29Å; Y346-R350 WeakPolarHBondContact OH-CD 3.32Å; Y346-V510 HydrophobicContact CD2-CG2 4.47Å; Y346-V510 HydrophobicContact CE2-CB 4.26Å; Y346-V510 HydrophobicContact CE2-CG2 3.5Å; Y346-V510 WeakPolarHBondContact OH-CB 3.29Å; Y346-V510 WeakPolarHBondContact OH-CG2 3.39Å; Y346-L524 HydrophobicContact CD1-CD1 4.32Å; Y346-L524 HydrophobicContact CD2-CD1 3.65Å; Y346-L524 HydrophobicContact CD2-CG 4.23Å; Y346-L524 HydrophobicContact CE2-CD1 4.11Å; Y346-L524 HydrophobicContact CG-CD1 3.76Å; Y346-L524 HydrophobicContact CG-CD2 4.19Å; Y346-L524 HydrophobicContact CG-CG 4.23Å; Y346-L526 HydrophobicContact CD2-CD2 4.27Å
347N98.4Very high98.4Very high2 Ų229.1 Ų29.11%0.01114%0.135CC..Hα-helixtrans-61.8-41.6176.6-73.4-43.9000110.9W343 T344 R350 H351 S392 H396 F444W343-N347 WeakPolarHBondContact O-CB 3.44Å; W343-N347 VanDerWaalsContact O-CG 3.28Å; W343-N347 PolarHBondContact O-N 3.13Å; W343-N347 PolarHBondContact O-ND2 3.08Å; T344-N347 PolarHBondContact O-N 3.43Å; N347-R350 PolarHBondContact O-N 3.4Å; N347-H351 PolarHBondContact O-N 2.82Å; N347-H351 PolarHBondContact O-ND1 2.9Å; N347-S392 PolarHBondContact ND2-OG 3.16Å; N347-S392 VanDerWaalsContact ND2-OG 3.11Å; N347-H396 PolarHBondContact ND2-CE1 3.25Å; N347-H396 PolarHBondContact ND2-ND1 2.92Å; N347-H396 PolarHBondContact OD1-CE1 3.24Å; N347-F444 HydrophobicContact CB-CD1 4.49Å; N347-F444 HydrophobicContact CB-CD2 3.75Å; N347-F444 HydrophobicContact CB-CE1 4.33Å; N347-F444 HydrophobicContact CB-CE2 3.55Å; N347-F444 HydrophobicContact CB-CG 4.23Å; N347-F444 HydrophobicContact CB-CZ 3.87Å
348L98.7Very high98.4Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-68.9-35.9176.6-69.9164.9000113T344 L345 Y346 R350 H351 Q355 C388 V486 L490T344-L348 HydrophobicContact CG2-CD1 3.95Å; T344-L348 WeakPolarHBondContact O-CG 3.38Å; T344-L348 PolarHBondContact O-N 3.47Å; L345-L348 PolarHBondContact O-N 3.2Å; Y346-L348 VanDerWaalsContact C-N 3.3Å; Y346-L348 PolarHBondContact O-N 3.34Å; L348-R350 PolarHBondContact O-N 3.05Å; L348-H351 CarbonylContact O-C 3.52Å; L348-H351 VanDerWaalsContact O-C 3.28Å; L348-H351 PolarHBondContact O-N 3.3Å; L348-H351 VanDerWaalsContact O-N 3.09Å; L348-Q355 HydrophobicContact CB-CB 4.36Å; L348-Q355 HydrophobicContact CB-CG 4.3Å; L348-Q355 PolarHBondContact O-NE2 3.47Å; L348-Q355 VanDerWaalsContact O-NE2 3.1Å; L348-C388 HydrophobicContact CD2-CB 4.05Å; L348-V486 HydrophobicContact CD1-CG1 3.95Å; L348-L490 HydrophobicContact CD1-CD1 3.59Å; L348-L490 HydrophobicContact CD1-CD2 4.26Å; L348-L490 HydrophobicContact CD1-CG 4.34Å
349A97.9Very high98.4Very high2 Ų229.2 Ų29.22%0.01714%0.135CC..Hα-helixtrans-60.2-35.2172.700000111.9L345 Y346 H351 L495 L526L345-A349 WeakPolarHBondContact O-CB 3.34Å; L345-A349 PolarHBondContact O-N 3.09Å; Y346-A349 PolarHBondContact O-N 2.97Å; A349-H351 VanDerWaalsContact C-N 3.35Å; A349-L495 HydrophobicContact CB-CB 3.9Å; A349-L526 HydrophobicContact CB-CD2 3.66Å
350R97Very high98.4Very high124 Ų12432.8 Ų32.847%0.46815%0.152SC..Hα-helixtrans-78.5-13.8175.5-70.7-170.964.3-133.5-3114.6Y346 N347 L348 P497Y346-R350 HydrophobicContact CE2-CG 4.17Å; Y346-R350 WeakPolarHBondContact O-CG 3.49Å; Y346-R350 PolarHBondContact O-N 3.34Å; Y346-R350 VanDerWaalsContact OH-CD 3.29Å; Y346-R350 WeakPolarHBondContact OH-CD 3.32Å; N347-R350 PolarHBondContact O-N 3.4Å; L348-R350 PolarHBondContact O-N 3.05Å; R350-P497 HydrophobicContact CG-CG 3.79Å
351H98.4Very high98.3Very high36 Ų3633.8 Ų33.817%0.16716%0.156CC..  trans-128.976-178.6-57.185.8000110.3N347 L348 A349 H353 Y354 Q355 F444N347-H351 PolarHBondContact O-N 2.82Å; N347-H351 PolarHBondContact O-ND1 2.9Å; L348-H351 CarbonylContact O-C 3.52Å; L348-H351 VanDerWaalsContact O-C 3.28Å; L348-H351 PolarHBondContact O-N 3.3Å; L348-H351 VanDerWaalsContact O-N 3.09Å; A349-H351 VanDerWaalsContact C-N 3.35Å; H351-H353 PolarHBondContact O-N 3.35Å; H351-H353 VanDerWaalsContact O-N 3.09Å; H351-Y354 HydrophobicContact CB-CD2 3.65Å; H351-Y354 HydrophobicContact CB-CE2 4.46Å; H351-Y354 HydrophobicContact CB-CG 4.3Å; H351-Y354 PolarHBondContact O-N 3.14Å; H351-Q355 PolarHBondContact O-N 3.48Å; H351-F444 AromaticContact CE1-CD1 3.83Å; H351-F444 AromaticContact CE1-CG 3.99Å; H351-F444 AromaticContact CG-CD1 3.95Å; H351-F444 AromaticContact ND1-CD1 3.62Å
352P97.8Very high98.2Very high82 Ų8233.8 Ų33.853%0.53216%0.156SC..Hα-helixtrans-55.3-32.9-174.2-27.735.2000114.3Q355 E356P352-Q355 WeakPolarHBondContact O-CB 3.43Å; P352-Q355 PolarHBondContact O-N 3.29Å; P352-E356 WeakPolarHBondContact O-CB 3.37Å; P352-E356 PolarHBondContact O-N 3.36Å
353H98.3Very high98Very high108 Ų10836.4 Ų36.450%0.517%0.169SC..Hα-helixtrans-66.1-38.6177.560.5-83.1000112.8H351 K357H351-H353 PolarHBondContact O-N 3.35Å; H351-H353 VanDerWaalsContact O-N 3.09Å; H353-K357 WeakPolarHBondContact O-CB 3.39Å; H353-K357 PolarHBondContact O-N 2.96Å; H353-K357 VanDerWaalsContact O-N 3.15Å
354Y98.7Very high97.8Very high40 Ų4041.5 Ų41.516%0.15719%0.193CC..Hα-helixtrans-73.5-38.2172.9-64.7-34.1000111.4H351 E356 K357 C358 F384 F444 P446H351-Y354 HydrophobicContact CB-CD2 3.65Å; H351-Y354 HydrophobicContact CB-CE2 4.46Å; H351-Y354 HydrophobicContact CB-CG 4.3Å; H351-Y354 PolarHBondContact O-N 3.14Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 2.99Å; Y354-K357 PolarHBondContact O-N 2.94Å; Y354-C358 PolarHBondContact O-N 2.87Å; Y354-C358 PolarHBondContact O-SG 2.81Å; Y354-F384 HydrophobicContact CD1-CE1 4.3Å; Y354-F384 AromaticContact CD1-CZ 3.57Å; Y354-F384 HydrophobicContact CD1-CZ 3.57Å; Y354-F384 HydrophobicContact CE1-CZ 4.21Å; Y354-F384 HydrophobicContact CG-CZ 4.18Å; Y354-F444 AromaticContact CD2-CD1 3.85Å; Y354-F444 HydrophobicContact CD2-CD1 3.85Å; Y354-F444 AromaticContact CD2-CE1 3.73Å; Y354-F444 HydrophobicContact CD2-CE1 3.73Å; Y354-F444 HydrophobicContact CE2-CD1 4.05Å; Y354-F444 HydrophobicContact CE2-CE1 4.28Å; Y354-P446 HydrophobicContact CD1-CG 4.48Å; Y354-P446 HydrophobicContact CD2-CG 3.89Å; Y354-P446 HydrophobicContact CE2-CG 3.94Å; Y354-P446 HydrophobicContact CG-CG 4.17Å
355Q98.7Very high97.6Very high4 Ų442.5 Ų42.52%0.01920%0.198CC..Hα-helixtrans-56.8-46.6174-162.8-173.2139.900111.8L348 H351 P352 C358 R359 L490 L495L348-Q355 HydrophobicContact CB-CB 4.36Å; L348-Q355 HydrophobicContact CB-CG 4.3Å; L348-Q355 PolarHBondContact O-NE2 3.47Å; L348-Q355 VanDerWaalsContact O-NE2 3.1Å; H351-Q355 PolarHBondContact O-N 3.48Å; P352-Q355 WeakPolarHBondContact O-CB 3.43Å; P352-Q355 PolarHBondContact O-N 3.29Å; Q355-C358 PolarHBondContact O-N 3.24Å; Q355-R359 WeakPolarHBondContact O-CB 3.18Å; Q355-R359 PolarHBondContact O-N 2.93Å; Q355-L490 HydrophobicContact CG-CD2 3.53Å; Q355-L495 PolarHBondContact NE2-O 2.96Å
356E98.4Very high97.3Very high83 Ų8343.2 Ų43.239%0.38820%0.201SC..Hα-helixtrans-69.2-36.9-180-166.657.3-154.400112P352 Y354 R359 Q360P352-E356 WeakPolarHBondContact O-CB 3.37Å; P352-E356 PolarHBondContact O-N 3.36Å; Y354-E356 VanDerWaalsContact C-N 3.32Å; Y354-E356 PolarHBondContact O-N 2.99Å; E356-R359 WeakPolarHBondContact O-CB 3.06Å; E356-R359 PolarHBondContact O-N 2.9Å; E356-R359 IonicContact OE2-NE 2.73Å; E356-R359 PolarHBondContact OE2-NE 2.87Å; E356-R359 VanDerWaalsContact OE2-NE 3.13Å; E356-Q360 WeakPolarHBondContact O-CB 3.45Å; E356-Q360 PolarHBondContact O-N 3.44Å
357K98.5Very high96.9Very high108 Ų10849 Ų4947%0.4723%0.229SC..Hα-helixtrans-64.8-39.7173.9-174173.2173.1-175.50112.4H353 Y354 E361 F384H353-K357 WeakPolarHBondContact O-CB 3.39Å; H353-K357 PolarHBondContact O-N 2.96Å; H353-K357 VanDerWaalsContact O-N 3.15Å; Y354-K357 PolarHBondContact O-N 2.94Å; K357-E361 WeakPolarHBondContact O-CB 3.24Å; K357-E361 PolarHBondContact O-N 2.99Å; K357-F384 HydrophobicContact CB-CD1 3.95Å; K357-F384 HydrophobicContact CB-CE1 3.66Å; K357-F384 HydrophobicContact CB-CZ 4.39Å; K357-F384 HydrophobicContact CD-CD1 3.78Å; K357-F384 HydrophobicContact CD-CD2 4.01Å; K357-F384 HydrophobicContact CD-CE1 3.62Å; K357-F384 HydrophobicContact CD-CE2 3.85Å; K357-F384 HydrophobicContact CD-CG 3.99Å; K357-F384 HydrophobicContact CD-CZ 3.67Å; K357-F384 HydrophobicContact CG-CD1 3.56Å; K357-F384 HydrophobicContact CG-CE1 3.66Å; K357-F384 HydrophobicContact CG-CG 4.1Å; K357-F384 HydrophobicContact CG-CZ 4.24Å
358C98.6Very high96.1Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-63.7-43.5171.2-73.70000111.6Y354 Q355 Q360 E361 V362 F384 C388 L490Y354-C358 PolarHBondContact O-N 2.87Å; Y354-C358 PolarHBondContact O-SG 2.81Å; Q355-C358 PolarHBondContact O-N 3.24Å; C358-Q360 PolarHBondContact O-N 3.5Å; C358-E361 WeakPolarHBondContact O-CB 3.33Å; C358-E361 PolarHBondContact O-N 3.49Å; C358-V362 VanDerWaalsContact O-CG2 3.31Å; C358-V362 WeakPolarHBondContact O-CG2 3.29Å; C358-V362 PolarHBondContact O-N 2.81Å; C358-F384 VanDerWaalsContact SG-CD1 3.56Å; C358-C388 VanDerWaalsContact SG-SG 3.62Å; C358-L490 HydrophobicContact CB-CD1 3.44Å; C358-L490 VanDerWaalsContact CB-CD1 3.44Å
359R98.1Very high95.5Very high5 Ų557.5 Ų57.52%0.01929%0.289CS..Hα-helixtrans-58.1-48.4176.4-178.6-177.9-40.9-72-9.4111.6Q355 E356 E361 V362 M363 L490 F493 L531Q355-R359 WeakPolarHBondContact O-CB 3.18Å; Q355-R359 PolarHBondContact O-N 2.93Å; E356-R359 WeakPolarHBondContact O-CB 3.06Å; E356-R359 PolarHBondContact O-N 2.9Å; E356-R359 IonicContact OE2-NE 2.73Å; E356-R359 PolarHBondContact OE2-NE 2.87Å; E356-R359 VanDerWaalsContact OE2-NE 3.13Å; R359-E361 PolarHBondContact O-N 3.21Å; R359-V362 PolarHBondContact O-N 2.91Å; R359-M363 HydrophobicContact CG-CG 4.4Å; R359-M363 HydrophobicContact CG-SD 4.01Å; R359-M363 WeakPolarHBondContact O-CG 3.25Å; R359-M363 PolarHBondContact O-N 2.8Å; R359-L490 WeakPolarHBondContact CB-O 3.48Å; R359-L490 VanDerWaalsContact CG-O 3.28Å; R359-L490 WeakPolarHBondContact CG-O 3.4Å; R359-L490 VanDerWaalsContact NH1-C 3.3Å; R359-L490 PolarHBondContact NH1-O 3.33Å; R359-F493 PolarHBondContact NH1-O 2.85Å; R359-F493 PolarHBondContact NH2-O 2.81Å; R359-L531 VanDerWaalsContact CZ-CD1 3.46Å
360Q97.9Very high94.3Very high76 Ų7666.3 Ų66.336%0.35534%0.336SS..Hα-helixtrans-60.1-43.9177.8-177.460.831.100111.8E356 C358 V362 M363 E364E356-Q360 WeakPolarHBondContact O-CB 3.45Å; E356-Q360 PolarHBondContact O-N 3.44Å; C358-Q360 PolarHBondContact O-N 3.5Å; Q360-V362 VanDerWaalsContact C-N 3.3Å; Q360-V362 PolarHBondContact O-N 2.75Å; Q360-M363 PolarHBondContact O-N 3.04Å; Q360-E364 WeakPolarHBondContact CG-OE1 3.33Å; Q360-E364 PolarHBondContact NE2-OE1 3.12Å; Q360-E364 WeakPolarHBondContact O-CB 3.06Å; Q360-E364 WeakPolarHBondContact O-CG 3.43Å; Q360-E364 PolarHBondContact O-N 3.07Å
361E97.7Very high93Very high24 Ų2462 Ų6211%0.11233%0.33CS..Hα-helixtrans-57.5-42.7174.7177.4-179-106.300111.8K357 C358 R359 L365 L382 P383 F384 T385K357-E361 WeakPolarHBondContact O-CB 3.24Å; K357-E361 PolarHBondContact O-N 2.99Å; C358-E361 WeakPolarHBondContact O-CB 3.33Å; C358-E361 PolarHBondContact O-N 3.49Å; R359-E361 PolarHBondContact O-N 3.21Å; E361-L365 PolarHBondContact O-N 3.21Å; E361-L365 VanDerWaalsContact O-N 3.14Å; E361-L382 HydrophobicContact CG-CD2 4.17Å; E361-P383 WeakPolarHBondContact OE1-CD 3.02Å; E361-P383 VanDerWaalsContact OE1-CG 3.31Å; E361-P383 WeakPolarHBondContact OE1-CG 3.32Å; E361-F384 WeakPolarHBondContact OE1-CA 3.35Å; E361-F384 WeakPolarHBondContact OE1-CB 2.92Å; E361-F384 PolarHBondContact OE1-N 2.81Å; E361-T385 WeakPolarHBondContact OE2-CB 3.46Å; E361-T385 PolarHBondContact OE2-N 2.98Å; E361-T385 PolarHBondContact OE2-OG1 2.88Å
362V95.9Very high92.2Very high0 Ų062.9 Ų62.90%033%0.334CS..Hα-helixtrans-72.5-37.7177.7-177.80000111.4C358 R359 Q360 L365 M366 L382 A487 L491C358-V362 VanDerWaalsContact O-CG2 3.31Å; C358-V362 WeakPolarHBondContact O-CG2 3.29Å; C358-V362 PolarHBondContact O-N 2.81Å; R359-V362 PolarHBondContact O-N 2.91Å; Q360-V362 VanDerWaalsContact C-N 3.3Å; Q360-V362 PolarHBondContact O-N 2.75Å; V362-L365 WeakPolarHBondContact O-CB 3.19Å; V362-L365 PolarHBondContact O-N 3.13Å; V362-M366 HydrophobicContact CG1-CE 4.4Å; V362-M366 HydrophobicContact CG1-CG 4.43Å; V362-M366 VanDerWaalsContact O-CG 3.25Å; V362-M366 WeakPolarHBondContact O-CG 3.39Å; V362-M366 PolarHBondContact O-N 2.53Å; V362-M366 VanDerWaalsContact O-N 3.1Å; V362-L382 HydrophobicContact CG2-CD2 3.81Å; V362-A487 HydrophobicContact CG1-CB 4.27Å; V362-A487 HydrophobicContact CG2-CB 3.57Å; V362-L491 HydrophobicContact CG1-CB 4.08Å; V362-L491 HydrophobicContact CG1-CD1 4.19Å; V362-L491 HydrophobicContact CG1-CD2 4.21Å; V362-L491 HydrophobicContact CG1-CG 4.4Å
363M94.8Very high91.9Very high54 Ų5463.9 Ų63.927%0.26633%0.331SS..Hα-helixtrans-61.6-45.4175.3-74.7176.866.400111.3R359 Q360 L365 M366 Q367 L491 F536R359-M363 HydrophobicContact CG-CG 4.4Å; R359-M363 HydrophobicContact CG-SD 4.01Å; R359-M363 WeakPolarHBondContact O-CG 3.25Å; R359-M363 PolarHBondContact O-N 2.8Å; Q360-M363 PolarHBondContact O-N 3.04Å; M363-L365 VanDerWaalsContact C-N 3.32Å; M363-L365 PolarHBondContact O-N 2.97Å; M363-M366 PolarHBondContact O-N 2.9Å; M363-M366 VanDerWaalsContact O-N 3.13Å; M363-Q367 WeakPolarHBondContact O-CG 3.31Å; M363-Q367 PolarHBondContact O-N 2.96Å; M363-Q367 VanDerWaalsContact O-N 3.11Å; M363-L491 HydrophobicContact CG-CD1 3.73Å; M363-F536 HydrophobicContact CE-CD1 3.94Å; M363-F536 HydrophobicContact CE-CE1 4.13Å; M363-F536 HydrophobicContact CG-CD1 4.23Å; M363-F536 HydrophobicContact CG-CE1 3.93Å; M363-F536 HydrophobicContact SD-CD1 4.4Å; M363-F536 HydrophobicContact SD-CE1 4.02Å
364E94.9Very high91.7Very high109 Ų10958.9 Ų58.951%0.50931%0.308SS..Hα-helixtrans-59.7-41.6175.7-74.8169.3-167.800112Q360 M366 Q367Q360-E364 WeakPolarHBondContact CG-OE1 3.33Å; Q360-E364 PolarHBondContact NE2-OE1 3.12Å; Q360-E364 WeakPolarHBondContact O-CB 3.06Å; Q360-E364 WeakPolarHBondContact O-CG 3.43Å; Q360-E364 PolarHBondContact O-N 3.07Å; E364-M366 VanDerWaalsContact C-N 3.27Å; E364-M366 PolarHBondContact O-N 3.27Å; E364-Q367 PolarHBondContact O-N 3.08Å
365L94.4Very high91.5Very high22 Ų2262.4 Ų62.412%0.11533%0.326CS..Hα-helixtrans-60-36.4174.9-179.769.1000112.8E361 V362 M363 R369 D378 N381 L382E361-L365 PolarHBondContact O-N 3.21Å; E361-L365 VanDerWaalsContact O-N 3.14Å; V362-L365 WeakPolarHBondContact O-CB 3.19Å; V362-L365 PolarHBondContact O-N 3.13Å; M363-L365 VanDerWaalsContact C-N 3.32Å; M363-L365 PolarHBondContact O-N 2.97Å; L365-R369 PolarHBondContact O-NE 3.17Å; L365-R369 PolarHBondContact O-NH2 3.17Å; L365-D378 HydrophobicContact CD1-CB 3.94Å; L365-D378 WeakPolarHBondContact CD1-OD1 3.45Å; L365-D378 HydrophobicContact CD2-CB 3.86Å; L365-D378 HydrophobicContact CG-CB 4.34Å; L365-N381 HydrophobicContact CD1-CB 3.83Å; L365-L382 HydrophobicContact CD2-CD1 4.47Å; L365-L382 HydrophobicContact CD2-CD2 3.78Å; L365-L382 HydrophobicContact CD2-CG 4.12Å
366M91.9Very high91.3Very high14 Ų1465 Ų657%0.06934%0.336CS..Hα-helixtrans-87.6-8.5-176.9-62.7-60.2161.400114.1V362 M363 E364 G368 R369 I374 L491V362-M366 HydrophobicContact CG1-CE 4.4Å; V362-M366 HydrophobicContact CG1-CG 4.43Å; V362-M366 VanDerWaalsContact O-CG 3.25Å; V362-M366 WeakPolarHBondContact O-CG 3.39Å; V362-M366 PolarHBondContact O-N 2.53Å; V362-M366 VanDerWaalsContact O-N 3.1Å; M363-M366 PolarHBondContact O-N 2.9Å; M363-M366 VanDerWaalsContact O-N 3.13Å; E364-M366 VanDerWaalsContact C-N 3.27Å; E364-M366 PolarHBondContact O-N 3.27Å; M366-G368 PolarHBondContact O-N 3.06Å; M366-R369 WeakPolarHBondContact O-CB 3.45Å; M366-R369 PolarHBondContact O-N 2.95Å; M366-I374 HydrophobicContact CE-CB 4.48Å; M366-I374 HydrophobicContact CE-CD1 4.35Å; M366-I374 HydrophobicContact CE-CG1 3.4Å; M366-L491 HydrophobicContact CG-CD2 4.17Å
367Q89.3Confident91.1Very high137 Ų13765.5 Ų65.564%0.6434%0.338SS*.THydrogen-bonded Turntrans-55.7128.8-177.9-78.7177.87.900111.8M363 E364 R369M363-Q367 WeakPolarHBondContact O-CG 3.31Å; M363-Q367 PolarHBondContact O-N 2.96Å; M363-Q367 VanDerWaalsContact O-N 3.11Å; E364-Q367 PolarHBondContact O-N 3.08Å; Q367-R369 VanDerWaalsContact C-N 3.34Å
368G81.9Confident91Very high89 Ų8960.8 Ų60.892%0.91832%0.318SS*.THydrogen-bonded Turntrans77.811.5176.900000115.4M366M366-G368 PolarHBondContact O-N 3.06Å
369R86.8Confident90.8Very high90 Ų9061.1 Ų61.134%0.3432%0.32SS..  trans-98.5142.2174.5-56.4-173.7-170.1-157.91.1111.2L365 M366 Q367 G371 D378L365-R369 PolarHBondContact O-NE 3.17Å; L365-R369 PolarHBondContact O-NH2 3.17Å; M366-R369 WeakPolarHBondContact O-CB 3.45Å; M366-R369 PolarHBondContact O-N 2.95Å; Q367-R369 VanDerWaalsContact C-N 3.34Å; R369-G371 PolarHBondContact O-N 3.1Å; R369-D378 IonicContact CZ-OD1 2.97Å; R369-D378 IonicContact CZ-OD2 2.78Å; R369-D378 IonicContact NH1-OD1 2.78Å; R369-D378 PolarHBondContact NH1-OD1 3.43Å; R369-D378 IonicContact NH1-OD2 3.83Å; R369-D378 PolarHBondContact NH1-OD2 3.47Å; R369-D378 IonicContact NH2-OD1 3.3Å; R369-D378 PolarHBondContact NH2-OD1 3.14Å; R369-D378 IonicContact NH2-OD2 3.18Å
370D72.2Confident90.7Very high188 Ų18865.2 Ų65.2100%1.00535%0.35SS*.SBendtrans-75.51.4175.6-68.3-30.2000113.2
371G70.4Confident90.6Very high34 Ų3466 Ų6635%0.35136%0.356SS..SBendtrans-155164.4-178.200000113.6R369R369-G371 PolarHBondContact O-N 3.1Å
372H80.9Confident90.6Very high53 Ų5364.8 Ų64.825%0.24535%0.351CS..  trans-105.437.4-177-60.5111.1000112.4L488 L491 E533H372-L488 WeakPolarHBondContact O-CD2 3.31Å; H372-L491 HydrophobicContact CB-CD2 4.21Å; H372-E533 IonicContact ND1-OE1 3.77Å
373E91.4Very high90.7Very high103 Ų10368 Ų6848%0.48137%0.371SS..PPolyproline II helixtrans-97134.2175.5-62.9-161.615300110.7N170N170-E373 WeakPolarHBondContact OD1-CA 3.37Å
374I94.9Very high90.8Very high3 Ų365.9 Ų65.92%0.01536%0.361CS..PPolyproline II helixtrans-83.7134.4173.8-70.1171.1000108.5I166 N170 M366 D378 L379 V484 A487 L488I166-I374 WeakPolarHBondContact CG2-O 3.48Å; N170-I374 PolarHBondContact ND2-O 3.33Å; N170-I374 PolarHBondContact OD1-N 3.49Å; M366-I374 HydrophobicContact CE-CB 4.48Å; M366-I374 HydrophobicContact CE-CD1 4.35Å; M366-I374 HydrophobicContact CE-CG1 3.4Å; I374-D378 HydrophobicContact CG2-CB 4.04Å; I374-L379 HydrophobicContact CG2-CD2 3.78Å; I374-V484 HydrophobicContact CB-CG2 4.37Å; I374-V484 HydrophobicContact CD1-CG1 4.46Å; I374-V484 HydrophobicContact CG2-CG2 3.98Å; I374-A487 HydrophobicContact CD1-CB 3.56Å; I374-L488 HydrophobicContact CD1-CD2 3.97Å; I374-L488 HydrophobicContact CD1-CG 3.84Å; I374-L488 HydrophobicContact CG1-CD2 4.11Å; I374-L488 HydrophobicContact CG1-CG 4.41Å
375E94.4Very high91Very high114 Ų11460.7 Ų60.753%0.53334%0.336SS..PPolyproline II helixtrans-97.6171.3172.1-60.2-175.6177.200111.7E377 D378E375-E377 VanDerWaalsContact C-N 3.35Å; E375-E377 PolarHBondContact O-N 2.82Å; E375-D378 WeakPolarHBondContact CB-OD2 3.49Å; E375-D378 PolarHBondContact N-OD2 3.49Å; E375-D378 WeakPolarHBondContact O-CB 3.33Å; E375-D378 PolarHBondContact O-N 3.06Å
376W94.3Very high91.2Very high58 Ų5860.1 Ų60.122%0.2233%0.334CS..THydrogen-bonded Turntrans-64-42.2-179.6173.7-91.8000112.3F159 L162 K163 I166 D378 L379 A480F159-W376 HydrophobicContact CB-CH2 4.46Å; F159-W376 HydrophobicContact CB-CZ2 3.98Å; L162-W376 HydrophobicContact CB-CE3 4.48Å; L162-W376 HydrophobicContact CB-CH2 3.79Å; L162-W376 HydrophobicContact CB-CZ3 3.56Å; L162-W376 HydrophobicContact CD1-CH2 4.27Å; K163-W376 HydrophobicContact CB-CB 4.44Å; K163-W376 HydrophobicContact CB-CD2 4.34Å; K163-W376 HydrophobicContact CB-CG 4.3Å; K163-W376 HydrophobicContact CD-CG 4.29Å; K163-W376 VanDerWaalsContact CE-CD1 3.49Å; K163-W376 HydrophobicContact CG-CB 3.91Å; K163-W376 HydrophobicContact CG-CD2 3.49Å; K163-W376 VanDerWaalsContact CG-CD2 3.49Å; K163-W376 HydrophobicContact CG-CE3 4.08Å; K163-W376 HydrophobicContact CG-CG 3.38Å; I166-W376 HydrophobicContact CD1-CE3 3.75Å; I166-W376 HydrophobicContact CD1-CZ3 4.27Å; I166-W376 HydrophobicContact CG1-CB 3.99Å; I166-W376 HydrophobicContact CG1-CE3 3.72Å; W376-D378 PolarHBondContact O-N 3.11Å; W376-L379 HydrophobicContact CE3-CD1 4.03Å; W376-L379 HydrophobicContact CZ3-CD1 4.25Å; W376-L379 WeakPolarHBondContact O-CB 3.24Å; W376-L379 WeakPolarHBondContact O-CG 3.43Å; W376-L379 PolarHBondContact O-N 3.26Å; W376-A480 HydrophobicContact CZ3-CB 4.23Å
377E94.3Very high91.6Very high95 Ų9560.6 Ų60.644%0.44434%0.336SS..G310 helixtrans-65.5-25.9-179-71.363.9-14500111.8K163 E375 L379 S380K163-E377 IonicContact NZ-OE1 3.72Å; K163-E377 PolarHBondContact NZ-OE1 3.5Å; E375-E377 VanDerWaalsContact C-N 3.35Å; E375-E377 PolarHBondContact O-N 2.82Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 3.06Å; E377-S380 PolarHBondContact O-OG 3.08Å
378D95.4Very high92Very high8 Ų854.1 Ų54.14%0.04331%0.306CS..G310 helixtrans-69.4-24.7176-66.3-32.6000113.3L365 R369 I374 E375 W376 S380 N381L365-D378 HydrophobicContact CD1-CB 3.94Å; L365-D378 WeakPolarHBondContact CD1-OD1 3.45Å; L365-D378 HydrophobicContact CD2-CB 3.86Å; L365-D378 HydrophobicContact CG-CB 4.34Å; R369-D378 IonicContact CZ-OD1 2.97Å; R369-D378 IonicContact CZ-OD2 2.78Å; R369-D378 IonicContact NH1-OD1 2.78Å; R369-D378 PolarHBondContact NH1-OD1 3.43Å; R369-D378 IonicContact NH1-OD2 3.83Å; R369-D378 PolarHBondContact NH1-OD2 3.47Å; R369-D378 IonicContact NH2-OD1 3.3Å; R369-D378 PolarHBondContact NH2-OD1 3.14Å; R369-D378 IonicContact NH2-OD2 3.18Å; I374-D378 HydrophobicContact CG2-CB 4.04Å; E375-D378 WeakPolarHBondContact CB-OD2 3.49Å; E375-D378 PolarHBondContact N-OD2 3.49Å; E375-D378 WeakPolarHBondContact O-CB 3.33Å; E375-D378 PolarHBondContact O-N 3.06Å; W376-D378 PolarHBondContact O-N 3.11Å; D378-S380 PolarHBondContact O-N 3.15Å; D378-S380 VanDerWaalsContact O-N 3.14Å; D378-N381 WeakPolarHBondContact O-CA 3.35Å; D378-N381 WeakPolarHBondContact O-CB 3.23Å; D378-N381 PolarHBondContact O-N 3.42Å
379L95.6Very high92.8Very high7 Ų749.9 Ų49.94%0.03726%0.262CS..G310 helixtrans-62.5-24.9-177.2-61.4-173.8000113.4I166 I374 W376 E377 N381 A480 R483 V484I166-L379 HydrophobicContact CD1-CD1 3.73Å; I374-L379 HydrophobicContact CG2-CD2 3.78Å; W376-L379 HydrophobicContact CE3-CD1 4.03Å; W376-L379 HydrophobicContact CZ3-CD1 4.25Å; W376-L379 WeakPolarHBondContact O-CB 3.24Å; W376-L379 WeakPolarHBondContact O-CG 3.43Å; W376-L379 PolarHBondContact O-N 3.26Å; E377-L379 VanDerWaalsContact C-N 3.29Å; E377-L379 PolarHBondContact O-N 3.06Å; L379-N381 VanDerWaalsContact C-N 3.32Å; L379-A480 HydrophobicContact CD1-CB 3.75Å; L379-R483 HydrophobicContact CD2-CB 3.9Å; L379-V484 HydrophobicContact CD2-CG2 3.93Å
380S95.1Very high93.4Very high92 Ų9248.9 Ų48.964%0.64326%0.26SS*.G310 helixtrans-76.5-19171.634.10000113.6E377 D378 L382E377-S380 PolarHBondContact O-OG 3.08Å; D378-S380 PolarHBondContact O-N 3.15Å; D378-S380 VanDerWaalsContact O-N 3.14Å; S380-L382 VanDerWaalsContact C-N 3.33Å
381N96.1Very high94.7Very high91 Ų9139.9 Ų39.949%0.48721%0.212SC..G310 helixtrans-96.218-178.6-58.7-34.1000112.7L365 D378 L379 P383L365-N381 HydrophobicContact CD1-CB 3.83Å; D378-N381 WeakPolarHBondContact O-CA 3.35Å; D378-N381 WeakPolarHBondContact O-CB 3.23Å; D378-N381 PolarHBondContact O-N 3.42Å; L379-N381 VanDerWaalsContact C-N 3.32Å; N381-P383 VanDerWaalsContact O-CD 3.32Å; N381-P383 WeakPolarHBondContact O-CD 3.42Å
382L97.4Very high96Very high0 Ų038.3 Ų38.30%020%0.196CC..  trans-116.151.8172.5-64.6173.3000112E361 V362 L365 S380 T386 R483 A487E361-L382 HydrophobicContact CG-CD2 4.17Å; V362-L382 HydrophobicContact CG2-CD2 3.81Å; L365-L382 HydrophobicContact CD2-CD1 4.47Å; L365-L382 HydrophobicContact CD2-CD2 3.78Å; L365-L382 HydrophobicContact CD2-CG 4.12Å; S380-L382 VanDerWaalsContact C-N 3.33Å; L382-T386 VanDerWaalsContact O-CB 3.24Å; L382-T386 WeakPolarHBondContact O-CB 3.4Å; L382-T386 PolarHBondContact O-N 2.65Å; L382-T386 PolarHBondContact O-OG1 3.26Å; L382-R483 HydrophobicContact CD1-CB 4.43Å; L382-A487 HydrophobicContact CD1-CB 3.98Å
383P97.7Very high96.9Very high67 Ų6736 Ų3644%0.43519%0.185SC..Hα-helixtrans-63.1-44.5-173.325.2-34.8000113.3E361 N381 T386 M387E361-P383 WeakPolarHBondContact OE1-CD 3.02Å; E361-P383 VanDerWaalsContact OE1-CG 3.31Å; E361-P383 WeakPolarHBondContact OE1-CG 3.32Å; N381-P383 VanDerWaalsContact O-CD 3.32Å; N381-P383 WeakPolarHBondContact O-CD 3.42Å; P383-T386 WeakPolarHBondContact O-CB 3.38Å; P383-T386 PolarHBondContact O-N 3.42Å; P383-M387 HydrophobicContact CB-CE 4.28Å; P383-M387 WeakPolarHBondContact O-CG 3.24Å; P383-M387 PolarHBondContact O-N 3.49Å
384F98.5Very high97.2Very high10 Ų1031 Ų314%0.04416%0.162CC..Hα-helixtrans-72.5-41.5-177.9-171.3-103.4000111.8Y354 K357 C358 E361 T386 M387 C388 P446 L447Y354-F384 HydrophobicContact CD1-CE1 4.3Å; Y354-F384 AromaticContact CD1-CZ 3.57Å; Y354-F384 HydrophobicContact CD1-CZ 3.57Å; Y354-F384 HydrophobicContact CE1-CZ 4.21Å; Y354-F384 HydrophobicContact CG-CZ 4.18Å; K357-F384 HydrophobicContact CB-CD1 3.95Å; K357-F384 HydrophobicContact CB-CE1 3.66Å; K357-F384 HydrophobicContact CB-CZ 4.39Å; K357-F384 HydrophobicContact CD-CD1 3.78Å; K357-F384 HydrophobicContact CD-CD2 4.01Å; K357-F384 HydrophobicContact CD-CE1 3.62Å; K357-F384 HydrophobicContact CD-CE2 3.85Å; K357-F384 HydrophobicContact CD-CG 3.99Å; K357-F384 HydrophobicContact CD-CZ 3.67Å; K357-F384 HydrophobicContact CG-CD1 3.56Å; K357-F384 HydrophobicContact CG-CE1 3.66Å; K357-F384 HydrophobicContact CG-CG 4.1Å; K357-F384 HydrophobicContact CG-CZ 4.24Å; C358-F384 VanDerWaalsContact SG-CD1 3.56Å; E361-F384 WeakPolarHBondContact OE1-CA 3.35Å; E361-F384 WeakPolarHBondContact OE1-CB 2.92Å; E361-F384 PolarHBondContact OE1-N 2.81Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.99Å; F384-M387 WeakPolarHBondContact O-CB 3.46Å; F384-M387 PolarHBondContact O-N 2.81Å; F384-M387 VanDerWaalsContact O-N 3.09Å; F384-C388 PolarHBondContact O-N 3.07Å; F384-C388 PolarHBondContact O-SG 2.94Å; F384-C388 VanDerWaalsContact O-SG 3.38Å; F384-P446 HydrophobicContact CE2-CB 4.18Å; F384-P446 HydrophobicContact CZ-CB 4.31Å; F384-P446 HydrophobicContact CZ-CG 4.44Å; F384-L447 HydrophobicContact CE2-CD2 4.15Å
385T98.7Very high97.3Very high0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-59.6-40.4170.9-57.80000111.1E361 M387 C388 I389 V486E361-T385 WeakPolarHBondContact OE2-CB 3.46Å; E361-T385 PolarHBondContact OE2-N 2.98Å; E361-T385 PolarHBondContact OE2-OG1 2.88Å; T385-M387 VanDerWaalsContact C-N 3.35Å; T385-M387 PolarHBondContact O-N 3.08Å; T385-C388 PolarHBondContact O-N 3.2Å; T385-I389 HydrophobicContact CG2-CD1 4.16Å; T385-I389 WeakPolarHBondContact O-CG1 3.48Å; T385-I389 PolarHBondContact O-N 2.76Å; T385-V486 HydrophobicContact CG2-CG1 3.94Å
386T98.6Very high97.5Very high9 Ų926.9 Ų26.96%0.05514%0.143CC..Hα-helixtrans-61.9-40.1173-64.30000112.2L382 P383 F384 I389 K390 M479 R483L382-T386 VanDerWaalsContact O-CB 3.24Å; L382-T386 WeakPolarHBondContact O-CB 3.4Å; L382-T386 PolarHBondContact O-N 2.65Å; L382-T386 PolarHBondContact O-OG1 3.26Å; P383-T386 WeakPolarHBondContact O-CB 3.38Å; P383-T386 PolarHBondContact O-N 3.42Å; F384-T386 VanDerWaalsContact C-N 3.27Å; F384-T386 PolarHBondContact O-N 2.99Å; T386-I389 PolarHBondContact O-N 3Å; T386-K390 HydrophobicContact CG2-CD 4.26Å; T386-K390 HydrophobicContact CG2-CG 4.49Å; T386-K390 WeakPolarHBondContact O-CG 3.24Å; T386-K390 PolarHBondContact O-N 2.98Å; T386-M479 HydrophobicContact CG2-CE 4.41Å; T386-R483 VanDerWaalsContact CG2-NH2 3.3Å; T386-R483 PolarHBondContact OG1-NE 3.44Å; T386-R483 PolarHBondContact OG1-NH2 3.49Å
387M98.7Very high97.6Very high24 Ų2424.2 Ų24.212%0.11813%0.133CC..Hα-helixtrans-62.6-43.8175.8-72.6-178.8-127.600111.3P383 F384 T385 I389 K390 E391 P446 F449 E450P383-M387 HydrophobicContact CB-CE 4.28Å; P383-M387 WeakPolarHBondContact O-CG 3.24Å; P383-M387 PolarHBondContact O-N 3.49Å; F384-M387 WeakPolarHBondContact O-CB 3.46Å; F384-M387 PolarHBondContact O-N 2.81Å; F384-M387 VanDerWaalsContact O-N 3.09Å; T385-M387 VanDerWaalsContact C-N 3.35Å; T385-M387 PolarHBondContact O-N 3.08Å; M387-I389 PolarHBondContact O-N 3.49Å; M387-K390 PolarHBondContact O-N 2.98Å; M387-E391 PolarHBondContact O-N 3.39Å; M387-P446 HydrophobicContact CB-CB 4Å; M387-P446 WeakPolarHBondContact CB-O 3.39Å; M387-F449 HydrophobicContact CB-CB 4.18Å; M387-F449 HydrophobicContact CG-CB 3.86Å; M387-E450 HydrophobicContact SD-CB 4.33Å
388C98.9Very high97.8Very high1 Ų120.2 Ų20.21%0.00712%0.115CC..Hα-helixtrans-62.1-43.3176.2-65.40000112.2L348 C358 F384 T385 K390 E391 S392 F444 P446L348-C388 HydrophobicContact CD2-CB 4.05Å; C358-C388 VanDerWaalsContact SG-SG 3.62Å; F384-C388 PolarHBondContact O-N 3.07Å; F384-C388 PolarHBondContact O-SG 2.94Å; F384-C388 VanDerWaalsContact O-SG 3.38Å; T385-C388 PolarHBondContact O-N 3.2Å; C388-K390 PolarHBondContact O-N 2.64Å; C388-E391 PolarHBondContact O-N 3.2Å; C388-S392 WeakPolarHBondContact O-CB 3.19Å; C388-S392 PolarHBondContact O-N 2.87Å; C388-F444 HydrophobicContact CB-CZ 4.2Å; C388-P446 HydrophobicContact CB-CG 4.39Å; C388-P446 WeakPolarHBondContact SG-CG 3.23Å
389I98.9Very high97.9Very high0 Ų021.9 Ų21.90%013%0.126CC..Hα-helixtrans-59.1-46.8173.8-72.3162000110.7T344 T385 T386 M387 S392 L393 M479 L482 R483 V486T344-I389 HydrophobicContact CG2-CG1 3.89Å; T385-I389 HydrophobicContact CG2-CD1 4.16Å; T385-I389 WeakPolarHBondContact O-CG1 3.48Å; T385-I389 PolarHBondContact O-N 2.76Å; T386-I389 PolarHBondContact O-N 3Å; M387-I389 PolarHBondContact O-N 3.49Å; I389-S392 WeakPolarHBondContact O-CB 3.37Å; I389-S392 PolarHBondContact O-N 3.42Å; I389-L393 HydrophobicContact CG2-CD1 4.07Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 WeakPolarHBondContact O-CG 3.45Å; I389-L393 PolarHBondContact O-N 3.45Å; I389-M479 HydrophobicContact CG2-CE 3.82Å; I389-M479 HydrophobicContact CG2-SD 4.24Å; I389-L482 HydrophobicContact CD1-CB 4.19Å; I389-L482 HydrophobicContact CG2-CB 4.29Å; I389-L482 HydrophobicContact CG2-CD2 3.5Å; I389-R483 HydrophobicContact CD1-CB 4.45Å; I389-R483 HydrophobicContact CD1-CG 3.83Å; I389-V486 HydrophobicContact CD1-CB 4.44Å; I389-V486 HydrophobicContact CG1-CG2 4.4Å
390K98.8Very high98Very high69 Ų6922.7 Ų22.730%0.313%0.129SC..Hα-helixtrans-64.3-42-179.7-75.4177177.4176.90112.4T386 M387 C388 S392 L393 R394 F449 F462T386-K390 HydrophobicContact CG2-CD 4.26Å; T386-K390 HydrophobicContact CG2-CG 4.49Å; T386-K390 WeakPolarHBondContact O-CG 3.24Å; T386-K390 PolarHBondContact O-N 2.98Å; M387-K390 PolarHBondContact O-N 2.98Å; C388-K390 PolarHBondContact O-N 2.64Å; K390-S392 VanDerWaalsContact C-N 3.32Å; K390-L393 PolarHBondContact O-N 2.94Å; K390-R394 PolarHBondContact O-N 3.37Å; K390-F449 HydrophobicContact CB-CB 4.44Å; K390-F449 HydrophobicContact CB-CD1 3.77Å; K390-F449 HydrophobicContact CB-CD2 3.77Å; K390-F449 HydrophobicContact CB-CE1 3.87Å; K390-F449 HydrophobicContact CB-CE2 3.87Å; K390-F449 HydrophobicContact CB-CG 3.71Å; K390-F449 HydrophobicContact CB-CZ 3.91Å; K390-F449 HydrophobicContact CD-CB 4.18Å; K390-F449 HydrophobicContact CD-CD1 3.66Å; K390-F449 HydrophobicContact CD-CE1 4.25Å; K390-F449 HydrophobicContact CD-CG 3.98Å; K390-F449 HydrophobicContact CG-CD1 4.32Å; K390-F462 HydrophobicContact CB-CE1 4.29Å; K390-F462 HydrophobicContact CB-CZ 3.9Å; K390-F462 HydrophobicContact CD-CE1 4.5Å; K390-F462 HydrophobicContact CG-CE1 4.11Å; K390-F462 HydrophobicContact CG-CZ 4.11Å; K390-F462 WeakPolarHBondContact O-CE2 3.47Å; K390-F462 WeakPolarHBondContact O-CZ 3.39Å
391E98.8Very high98.1Very high0 Ų020.3 Ų20.30%012%0.115CC..Hα-helixtrans-66.9-36.2176.4-178.367.117300112M387 C388 R394 L395 F444 D445 R448 F449M387-E391 PolarHBondContact O-N 3.39Å; C388-E391 PolarHBondContact O-N 3.2Å; E391-R394 WeakPolarHBondContact O-CB 3.41Å; E391-R394 PolarHBondContact O-N 2.82Å; E391-R394 IonicContact OE1-CZ 2.86Å; E391-R394 IonicContact OE1-NE 3.07Å; E391-R394 PolarHBondContact OE1-NE 2.85Å; E391-R394 IonicContact OE1-NH2 2.72Å; E391-R394 PolarHBondContact OE1-NH2 2.85Å; E391-R394 WeakPolarHBondContact OE2-CD 3.29Å; E391-R394 IonicContact OE2-CZ 3.78Å; E391-R394 IonicContact OE2-NE 3.38Å; E391-R394 PolarHBondContact OE2-NE 2.78Å; E391-R394 IonicContact OE2-NH2 3.28Å; E391-L395 PolarHBondContact O-N 3.03Å; E391-F444 HydrophobicContact CB-CD2 4.16Å; E391-F444 HydrophobicContact CB-CE2 3.86Å; E391-F444 HydrophobicContact CB-CZ 4.44Å; E391-F444 HydrophobicContact CG-CD2 3.46Å; E391-F444 VanDerWaalsContact CG-CD2 3.46Å; E391-F444 HydrophobicContact CG-CE2 3.69Å; E391-F444 HydrophobicContact CG-CG 4.05Å; E391-F444 HydrophobicContact CG-CZ 4.44Å; E391-D445 VanDerWaalsContact CD-O 3.23Å; E391-D445 PolarHBondContact OE1-N 3.27Å; E391-R448 IonicContact OE1-NE 3.78Å; E391-R448 PolarHBondContact OE1-NE 3.27Å; E391-F449 HydrophobicContact CB-CD2 4.1Å; E391-F449 HydrophobicContact CB-CE2 3.93Å; E391-F449 VanDerWaalsContact OE2-CE2 3.28Å; E391-F449 WeakPolarHBondContact OE2-CE2 3.49Å
392S98.8Very high98.1Very high0 Ų016.9 Ų16.90%010%0.097CC..Hα-helixtrans-62.5-45.7171.7-173.80000111.6W343 T344 N347 C388 I389 K390 R394 L395 H396W343-S392 PolarHBondContact O-OG 3.2Å; T344-S392 WeakPolarHBondContact CA-OG 3.2Å; T344-S392 PolarHBondContact N-OG 2.95Å; T344-S392 VanDerWaalsContact OG1-CB 3.23Å; T344-S392 WeakPolarHBondContact OG1-CB 3.28Å; T344-S392 PolarHBondContact OG1-OG 3.46Å; T344-S392 VanDerWaalsContact OG1-OG 3.07Å; N347-S392 PolarHBondContact ND2-OG 3.16Å; N347-S392 VanDerWaalsContact ND2-OG 3.11Å; C388-S392 WeakPolarHBondContact O-CB 3.19Å; C388-S392 PolarHBondContact O-N 2.87Å; I389-S392 WeakPolarHBondContact O-CB 3.37Å; I389-S392 PolarHBondContact O-N 3.42Å; K390-S392 VanDerWaalsContact C-N 3.32Å; S392-R394 PolarHBondContact O-N 2.92Å; S392-L395 PolarHBondContact O-N 3.26Å; S392-H396 WeakPolarHBondContact O-CA 3.18Å; S392-H396 WeakPolarHBondContact O-CB 3.49Å; S392-H396 PolarHBondContact O-N 3.3Å
393L98.8Very high98Very high4 Ų417.2 Ų17.22%0.02110%0.1CC..Hα-helixtrans-63.2-26.4175.1-73.1172.9000113.2A340 I389 K390 S397 P398 F462 P464 F465 M479 L482A340-L393 HydrophobicContact CB-CD2 3.66Å; I389-L393 HydrophobicContact CG2-CD1 4.07Å; I389-L393 HydrophobicContact CG2-CG 4.49Å; I389-L393 WeakPolarHBondContact O-CG 3.45Å; I389-L393 PolarHBondContact O-N 3.45Å; K390-L393 PolarHBondContact O-N 2.94Å; L393-S397 WeakPolarHBondContact O-CA 3.09Å; L393-S397 WeakPolarHBondContact O-CB 3.49Å; L393-S397 PolarHBondContact O-N 3.1Å; L393-P398 HydrophobicContact CD2-CG 4.03Å; L393-F462 HydrophobicContact CB-CE2 4.24Å; L393-F462 HydrophobicContact CB-CZ 4.09Å; L393-P464 HydrophobicContact CB-CB 4.08Å; L393-P464 HydrophobicContact CB-CG 4.18Å; L393-P464 HydrophobicContact CD1-CG 4.37Å; L393-F465 HydrophobicContact CD1-CE2 3.91Å; L393-F465 HydrophobicContact CD1-CZ 4.09Å; L393-M479 HydrophobicContact CD1-SD 4.03Å; L393-L482 HydrophobicContact CD1-CD2 4.42Å
394R98.4Very high97.9Very high0 Ų014.1 Ų14.10%08%0.079CC..Hα-helixtrans-71.9-52.7174-172.7-168.968.574-1.2110.5K390 E391 S392 H432 H433 W438 P441 E443 F449 F462K390-R394 PolarHBondContact O-N 3.37Å; E391-R394 WeakPolarHBondContact O-CB 3.41Å; E391-R394 PolarHBondContact O-N 2.82Å; E391-R394 IonicContact OE1-CZ 2.86Å; E391-R394 IonicContact OE1-NE 3.07Å; E391-R394 PolarHBondContact OE1-NE 2.85Å; E391-R394 IonicContact OE1-NH2 2.72Å; E391-R394 PolarHBondContact OE1-NH2 2.85Å; E391-R394 WeakPolarHBondContact OE2-CD 3.29Å; E391-R394 IonicContact OE2-CZ 3.78Å; E391-R394 IonicContact OE2-NE 3.38Å; E391-R394 PolarHBondContact OE2-NE 2.78Å; E391-R394 IonicContact OE2-NH2 3.28Å; S392-R394 PolarHBondContact O-N 2.92Å; R394-H432 HydrophobicContact CG-CB 3.7Å; R394-H432 PolarHBondContact NH1-O 2.72Å; R394-H432 VanDerWaalsContact O-CB 3.22Å; R394-H432 WeakPolarHBondContact O-CB 3.45Å; R394-H432 PolarHBondContact O-ND1 3.22Å; R394-H433 PolarHBondContact O-CE1 3.33Å; R394-W438 VanDerWaalsContact CD-CE3 3.46Å; R394-W438 VanDerWaalsContact CD-CH2 3.44Å; R394-W438 HydrophobicContact CG-CH2 4.23Å; R394-W438 HydrophobicContact CG-CZ2 4.07Å; R394-P441 PolarHBondContact NH1-O 3.46Å; R394-P441 PolarHBondContact NH2-O 3.27Å; R394-P441 VanDerWaalsContact NH2-O 3.09Å; R394-E443 PolarHBondContact NH2-O 3.39Å; R394-F449 HydrophobicContact CB-CZ 4.35Å; R394-F462 HydrophobicContact CB-CD2 4.11Å; R394-F462 HydrophobicContact CB-CE2 3.9Å; R394-F462 HydrophobicContact CG-CD2 4.41Å
395L98.1Very high97.8Very high10 Ų1018 Ų185%0.05210%0.096CC..Hα-helixtrans-69.6-37.4-178.9-74.3-176.2000113E391 S392 H433 P441 F444E391-L395 PolarHBondContact O-N 3.03Å; S392-L395 PolarHBondContact O-N 3.26Å; L395-H433 PolarHBondContact O-CE1 2.95Å; L395-H433 VanDerWaalsContact O-CE1 3.26Å; L395-H433 PolarHBondContact O-NE2 3.04Å; L395-P441 VanDerWaalsContact CD2-O 3.27Å; L395-P441 WeakPolarHBondContact CD2-O 3.43Å; L395-F444 HydrophobicContact CD1-CB 3.7Å; L395-F444 HydrophobicContact CD1-CD2 3.87Å; L395-F444 HydrophobicContact CD1-CG 4.29Å
396H98Very high97.7Very high19 Ų1918.1 Ų18.19%0.08810%0.096CC..THydrogen-bonded Turntrans-13155-170-55.395.2000110.2W343 N347 S392 P398 L518W343-H396 HydrophobicContact CB-CB 3.6Å; W343-H396 HydrophobicContact CD2-CB 3.76Å; W343-H396 AromaticContact CD2-CD2 3.55Å; W343-H396 AromaticContact CD2-CG 3.66Å; W343-H396 HydrophobicContact CE3-CB 4.26Å; W343-H396 AromaticContact CE3-CD2 3.27Å; W343-H396 AromaticContact CE3-CG 3.63Å; W343-H396 AromaticContact CE3-NE2 3.59Å; W343-H396 HydrophobicContact CG-CB 3.44Å; W343-H396 VanDerWaalsContact CG-CB 3.44Å; W343-H396 AromaticContact CG-CG 3.84Å; W343-H396 AromaticContact CH2-CD2 3.99Å; W343-H396 AromaticContact CZ3-CD2 3.53Å; W343-H396 AromaticContact CZ3-NE2 3.61Å; N347-H396 PolarHBondContact ND2-CE1 3.25Å; N347-H396 PolarHBondContact ND2-ND1 2.92Å; N347-H396 PolarHBondContact OD1-CE1 3.24Å; S392-H396 WeakPolarHBondContact O-CA 3.18Å; S392-H396 WeakPolarHBondContact O-CB 3.49Å; S392-H396 PolarHBondContact O-N 3.3Å; H396-P398 WeakPolarHBondContact O-CD 3.49Å; H396-L518 HydrophobicContact CB-CD2 3.76Å
397S97.3Very high97.5Very high2 Ų220.5 Ų20.51%0.01411%0.111CC..  trans-56.2124176.7-1790000110.2L393 V399 Q400L393-S397 WeakPolarHBondContact O-CA 3.09Å; L393-S397 WeakPolarHBondContact O-CB 3.49Å; L393-S397 PolarHBondContact O-N 3.1Å; S397-V399 WeakPolarHBondContact CB-O 3.45Å; S397-V399 PolarHBondContact O-N 3.5Å; S397-V399 VanDerWaalsContact O-N 3.16Å; S397-V399 PolarHBondContact OG-O 3.39Å; S397-Q400 PolarHBondContact O-NE2 3.02Å
398P98.1Very high97.4Very high11 Ų1124.1 Ų24.17%0.07113%0.128CC..SBendtrans-54.1-37.8179.4-29.835.8000112.3T336 A340 L393 H396 Q400 V517 L518T336-P398 WeakPolarHBondContact O-CG 3.38Å; A340-P398 HydrophobicContact CB-CG 3.82Å; L393-P398 HydrophobicContact CD2-CG 4.03Å; H396-P398 WeakPolarHBondContact O-CD 3.49Å; P398-Q400 PolarHBondContact O-NE2 3.05Å; P398-V517 CarbonylContact O-C 3.47Å; P398-V517 WeakPolarHBondContact O-CA 3.4Å; P398-L518 PolarHBondContact O-N 2.94Å
399V97.6Very high97.3Very high44 Ų4427.1 Ų27.127%0.26714%0.144SC..SBendtrans-107.4124.2172-179.70000109.1S397 A401 V402 L428S397-V399 WeakPolarHBondContact CB-O 3.45Å; S397-V399 PolarHBondContact O-N 3.5Å; S397-V399 VanDerWaalsContact O-N 3.16Å; S397-V399 PolarHBondContact OG-O 3.39Å; V399-A401 WeakPolarHBondContact CG1-O 3.31Å; V399-V402 HydrophobicContact CG1-CG1 3.95Å; V399-L428 HydrophobicContact CB-CD1 4.33Å; V399-L428 HydrophobicContact CG1-CD1 4.22Å; V399-L428 WeakPolarHBondContact O-CD1 3.37Å
400Q96.7Very high97.2Very high24 Ų2428 Ų2811%0.11215%0.149CC..  trans-87.3-30.7-174.4-58.869.746.300112.3L76 S397 P398 L428 Y429 P514 L518L76-Q400 HydrophobicContact CD2-CG 4.45Å; S397-Q400 PolarHBondContact O-NE2 3.02Å; P398-Q400 PolarHBondContact O-NE2 3.05Å; Q400-L428 WeakPolarHBondContact O-CA 3.31Å; Q400-L428 WeakPolarHBondContact O-CB 3.46Å; Q400-L428 PolarHBondContact O-N 3.47Å; Q400-Y429 PolarHBondContact O-N 3.5Å; Q400-P514 HydrophobicContact CG-CB 4.41Å; Q400-L518 HydrophobicContact CG-CD1 4.39Å; Q400-L518 VanDerWaalsContact NE2-CB 3.3Å
401A96.5Very high97.1Very high42 Ų4228.1 Ų28.135%0.34716%0.163SC..EExtended strand (participates in β ladder)trans-152.8153.7179.900000111.8V399 L425 V426V399-A401 WeakPolarHBondContact CG1-O 3.31Å; A401-L425 HydrophobicContact CB-CD2 3.76Å; A401-L425 HydrophobicContact CB-CG 4.16Å; A401-V426 VanDerWaalsContact CA-O 3.3Å; A401-V426 WeakPolarHBondContact CA-O 3.28Å
402V96.9Very high96.9Very high18 Ų1828.8 Ų28.811%0.10917%0.166CC..EExtended strand (participates in β ladder)trans-131.1140.2172.2-66.80000109.8V399 V426 L428V399-V402 HydrophobicContact CG1-CG1 3.95Å; V402-V426 HydrophobicContact CG2-CB 3.96Å; V402-V426 HydrophobicContact CG2-CG1 4.38Å; V402-V426 PolarHBondContact N-O 2.92Å; V402-V426 PolarHBondContact O-N 2.84Å; V402-L428 HydrophobicContact CG1-CD1 4.32Å; V402-L428 HydrophobicContact CG2-CD2 4.5Å
403T96.2Very high96.7Very high8 Ų831.1 Ų31.15%0.04918%0.182CC..EExtended strand (participates in β ladder)trans-105.5150.6-179.949.10000111.6D123 V126 Y127 I423 C424 L425D123-T403 WeakPolarHBondContact OD2-CB 3.14Å; D123-T403 PolarHBondContact OD2-OG1 3.48Å; V126-T403 HydrophobicContact CG2-CG2 3.97Å; V126-T403 WeakPolarHBondContact CG2-OG1 3.2Å; Y127-T403 WeakPolarHBondContact CE2-OG1 3.06Å; T403-I423 HydrophobicContact CG2-CG2 4.03Å; T403-C424 CarbonylContact C-O 3.35Å; T403-C424 VanDerWaalsContact CA-O 3.24Å; T403-C424 WeakPolarHBondContact CA-O 3.23Å; T403-L425 HydrophobicContact CG2-CB 4.05Å; T403-L425 HydrophobicContact CG2-CD1 4.35Å; T403-L425 HydrophobicContact CG2-CG 4.08Å
404R95.3Very high96.2Very high2 Ų233.8 Ų33.81%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-137162.4174-59.9-59.9-171.7-60-6.5109.9T120 M121 Y406 I423 C424 S466T120-R404 WeakPolarHBondContact OG1-CD 3.21Å; M121-R404 CarbonylContact O-C 3.5Å; M121-R404 VanDerWaalsContact O-CA 3.31Å; M121-R404 WeakPolarHBondContact O-CA 3.24Å; R404-Y406 HydrophobicContact CB-CE2 3.9Å; R404-I423 CarbonylContact O-C 3.54Å; R404-I423 WeakPolarHBondContact O-CA 3.35Å; R404-C424 HydrophobicContact CB-CB 4.47Å; R404-C424 PolarHBondContact N-O 3.49Å; R404-C424 PolarHBondContact O-N 3.44Å; R404-S466 PolarHBondContact NH2-OG 3.42Å
405K95.6Very high95.7Very high90 Ų9041.5 Ų41.539%0.39125%0.251SS..EExtended strand (participates in β ladder)trans-131.8143162.2-173.3-179.8-178.3-178.30107.9M121 D123 G421M121-K405 WeakPolarHBondContact CA-O 3.38Å; M121-K405 WeakPolarHBondContact CB-O 3.3Å; M121-K405 PolarHBondContact N-O 3.49Å; M121-K405 PolarHBondContact O-N 3.11Å; D123-K405 HydrophobicContact CB-CB 4.31Å; K405-G421 VanDerWaalsContact CE-O 3.26Å; K405-G421 WeakPolarHBondContact CE-O 3.43Å
406Y96.1Very high95.6Very high3 Ų342.2 Ų42.21%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-108.3143.4179.4-59.6-84.4000111L112 A115 I119 R404 Q408 V410 V418 G421 C424L112-Y406 VanDerWaalsContact CA-OH 3.31Å; L112-Y406 WeakPolarHBondContact CA-OH 3.32Å; L112-Y406 VanDerWaalsContact CB-OH 3.24Å; L112-Y406 WeakPolarHBondContact CB-OH 3.46Å; L112-Y406 HydrophobicContact CD2-CD2 4.31Å; L112-Y406 HydrophobicContact CD2-CE2 3.49Å; L112-Y406 VanDerWaalsContact CD2-CE2 3.49Å; L112-Y406 PolarHBondContact O-OH 2.99Å; A115-Y406 HydrophobicContact CB-CD1 4.29Å; A115-Y406 HydrophobicContact CB-CE1 3.7Å; I119-Y406 WeakPolarHBondContact O-CA 3.32Å; R404-Y406 HydrophobicContact CB-CE2 3.9Å; Y406-Q408 VanDerWaalsContact CB-O 3.29Å; Y406-Q408 WeakPolarHBondContact CB-O 3.47Å; Y406-Q408 PolarHBondContact O-N 3.35Å; Y406-V410 HydrophobicContact CD1-CG2 3.67Å; Y406-V410 HydrophobicContact CD2-CG2 4.04Å; Y406-V410 HydrophobicContact CE1-CG2 4.3Å; Y406-V410 HydrophobicContact CG-CG2 3.52Å; Y406-V418 HydrophobicContact CD2-CG1 4.44Å; Y406-G421 PolarHBondContact O-N 3.33Å; Y406-C424 HydrophobicContact CD2-CB 4.45Å; Y406-C424 HydrophobicContact CE2-CB 3.73Å
407T95.6Very high95.6Very high59 Ų5943.6 Ų43.636%0.36227%0.265SS..SBendtrans-78.1-6.9176.8580000113.1I119 M121 Q420I119-T407 VanDerWaalsContact CA-OG1 3.31Å; I119-T407 WeakPolarHBondContact CA-OG1 3.27Å; I119-T407 WeakPolarHBondContact CB-OG1 3.26Å; I119-T407 PolarHBondContact O-N 3.09Å; M121-T407 HydrophobicContact CE-CG2 3.57Å; M121-T407 HydrophobicContact CG-CG2 3.93Å; T407-Q420 WeakPolarHBondContact O-CG 3.37Å; T407-Q420 PolarHBondContact O-NE2 2.72Å
408Q96Very high95.6Very high101 Ų10143.5 Ų43.547%0.47226%0.264SS..SBendtrans-147.9169.7176.263.7-174.730.400109.8I119 Y406I119-Q408 HydrophobicContact CD1-CG 4.33Å; I119-Q408 HydrophobicContact CG2-CG 4.44Å; Y406-Q408 VanDerWaalsContact CB-O 3.29Å; Y406-Q408 WeakPolarHBondContact CB-O 3.47Å; Y406-Q408 PolarHBondContact O-N 3.35Å
409D97Very high95.5Very high64 Ų6443 Ų4334%0.34226%0.261SS..  trans-61.9139.1172.7-74.53.1000110.6R49 T417 V418 P419 Q420R49-D409 IonicContact CZ-OD2 3.74Å; R49-D409 IonicContact NH1-OD2 2.87Å; R49-D409 PolarHBondContact NH1-OD2 3.16Å; R49-D409 IonicContact NH2-OD1 2.86Å; R49-D409 PolarHBondContact NH2-OD1 3.13Å; R49-D409 IonicContact NH2-OD2 3.9Å; R49-D409 PolarHBondContact NH2-OD2 3.01Å; D409-T417 HydrophobicContact CB-CG2 3.76Å; D409-V418 WeakPolarHBondContact CA-O 3.46Å; D409-P419 WeakPolarHBondContact OD1-CA 3.46Å; D409-Q420 PolarHBondContact OD1-N 3.29Å
410V96.8Very high95.4Very high17 Ų1746 Ų4610%0.10327%0.272CS..EExtended strand (participates in β ladder)trans-120.5115.1177.6-177.10000109.3L112 Y406 T417 V418L112-V410 HydrophobicContact CD2-CB 4.27Å; L112-V410 HydrophobicContact CD2-CG1 3.91Å; Y406-V410 HydrophobicContact CD1-CG2 3.67Å; Y406-V410 HydrophobicContact CD2-CG2 4.04Å; Y406-V410 HydrophobicContact CE1-CG2 4.3Å; Y406-V410 HydrophobicContact CG-CG2 3.52Å; V410-T417 WeakPolarHBondContact O-CA 3.31Å; V410-V418 HydrophobicContact CB-CB 4.49Å; V410-V418 PolarHBondContact N-O 2.92Å; V410-V418 PolarHBondContact O-N 3.18Å
411A96.3Very high95.1Very high73 Ų7345.4 Ų45.460%0.60327%0.273SS*.EExtended strand (participates in β ladder)trans-68.5139.9175.300000111.2
412L95.8Very high95Very high13 Ų1343.5 Ų43.57%0.06826%0.257CS..EExtended strand (participates in β ladder)trans-120.8166.2173.7-63.8-174.8000109.2F53 V103 Y108 P111 L112 L416 V418F53-L412 HydrophobicContact CE1-CD1 4.04Å; F53-L412 HydrophobicContact CZ-CD1 4.06Å; V103-L412 HydrophobicContact CG1-CD1 4.31Å; Y108-L412 HydrophobicContact CD1-CB 3.97Å; Y108-L412 HydrophobicContact CD1-CD1 4.05Å; Y108-L412 HydrophobicContact CE1-CB 4.32Å; Y108-L412 WeakPolarHBondContact O-CD2 3.4Å; P111-L412 HydrophobicContact CB-CD2 4.23Å; P111-L412 HydrophobicContact CG-CD2 4.4Å; L112-L412 HydrophobicContact CD1-CD1 4.44Å; L112-L412 HydrophobicContact CD1-CD2 3.97Å; L112-L412 HydrophobicContact CD2-CD2 4.12Å; L112-L412 HydrophobicContact CG-CD2 3.77Å; L412-L416 HydrophobicContact CB-CB 3.94Å; L412-L416 PolarHBondContact N-O 3.02Å; L412-V418 HydrophobicContact CD1-CG2 3.62Å; L412-V418 HydrophobicContact CG-CG2 4.09Å
413P93.9Very high95Very high50 Ų5043.1 Ų43.133%0.32525%0.254SS..THydrogen-bonded Turntrans-56.2146.6174.3-24.334.1000113D107 Y108D107-P413 HydrophobicContact CB-CG 4.36Å; Y108-P413 HydrophobicContact CE1-CB 4.11Å; Y108-P413 HydrophobicContact CE1-CG 4.37Å; Y108-P413 VanDerWaalsContact CE1-O 3.23Å; Y108-P413 WeakPolarHBondContact CE1-O 3.32Å; Y108-P413 HydrophobicContact CE2-CB 4.27Å; Y108-P413 HydrophobicContact CE2-CG 4.41Å; Y108-P413 PolarHBondContact OH-O 3.09Å
414G87.3Confident95Very high60 Ų6042.8 Ų42.862%0.61925%0.252SS*.THydrogen-bonded Turntrans7543.7173.600000115L416G414-L416 PolarHBondContact O-N 3.41Å
415D89.3Confident95.1Very high161 Ų16143.4 Ų43.486%0.86126%0.255SS*.THydrogen-bonded Turntrans5521.4-179.5-59.1-33000114.6
416L95.8Very high95.2Very high26 Ų2639.1 Ų39.114%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-85.5145174.4-59.7-167.4000110C52 F53 Y108 L412 G414C52-L416 HydrophobicContact CB-CD2 3.82Å; C52-L416 WeakPolarHBondContact O-CD2 3.24Å; F53-L416 HydrophobicContact CD1-CD1 3.85Å; F53-L416 HydrophobicContact CE1-CB 3.99Å; F53-L416 HydrophobicContact CE1-CD1 3.65Å; F53-L416 HydrophobicContact CE1-CG 4.32Å; F53-L416 HydrophobicContact CZ-CB 4.08Å; Y108-L416 HydrophobicContact CD1-CD1 4.4Å; Y108-L416 HydrophobicContact CE1-CD1 3.68Å; Y108-L416 HydrophobicContact CE1-CG 4.47Å; L412-L416 HydrophobicContact CB-CB 3.94Å; L412-L416 PolarHBondContact N-O 3.02Å; G414-L416 PolarHBondContact O-N 3.41Å
417T96.7Very high95.3Very high47 Ų4739.3 Ų39.329%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-140.5126.3178.4-66.80000109.3F53 D409 V410 P419F53-T417 VanDerWaalsContact CE2-O 3.26Å; F53-T417 WeakPolarHBondContact CE2-O 3.31Å; D409-T417 HydrophobicContact CB-CG2 3.76Å; V410-T417 WeakPolarHBondContact O-CA 3.31Å; T417-P419 VanDerWaalsContact O-CD 3.23Å; T417-P419 WeakPolarHBondContact O-CD 3.26Å
418V97.1Very high95.4Very high0 Ų036.6 Ų36.60%022%0.222CC..EExtended strand (participates in β ladder)trans-79.2113.5167.8-178.30000107.8F53 V101 L112 Y406 D409 V410 L412 V422 C424F53-V418 HydrophobicContact CZ-CG2 4.19Å; V101-V418 HydrophobicContact CG1-CG2 4.43Å; L112-V418 HydrophobicContact CD2-CG2 4.03Å; Y406-V418 HydrophobicContact CD2-CG1 4.44Å; D409-V418 WeakPolarHBondContact CA-O 3.46Å; V410-V418 HydrophobicContact CB-CB 4.49Å; V410-V418 PolarHBondContact N-O 2.92Å; V410-V418 PolarHBondContact O-N 3.18Å; L412-V418 HydrophobicContact CD1-CG2 3.62Å; L412-V418 HydrophobicContact CG-CG2 4.09Å; V418-V422 HydrophobicContact CG1-CB 4.41Å; V418-V422 HydrophobicContact CG1-CG1 4.48Å; V418-C424 HydrophobicContact CG1-CB 4.47Å
419P96.6Very high95.5Very high1 Ų132 Ų321%0.00620%0.2CC..  trans-66.8146.4-179-19.633.4000111.5R49 L50 D409 T417 G421 V422R49-P419 HydrophobicContact CB-CB 4.41Å; R49-P419 HydrophobicContact CB-CG 3.88Å; L50-P419 HydrophobicContact CD2-CG 3.9Å; L50-P419 HydrophobicContact CG-CG 4.44Å; D409-P419 WeakPolarHBondContact OD1-CA 3.46Å; T417-P419 VanDerWaalsContact O-CD 3.23Å; T417-P419 WeakPolarHBondContact O-CD 3.26Å; P419-G421 PolarHBondContact O-N 3.2Å; P419-V422 HydrophobicContact CB-CG2 3.95Å; P419-V422 HydrophobicContact CG-CG2 4.07Å; P419-V422 WeakPolarHBondContact O-CB 3.41Å; P419-V422 PolarHBondContact O-N 3.26Å
420Q95.6Very high95.5Very high106 Ų10629 Ų2950%0.49518%0.184SC..THydrogen-bonded Turntrans-48136.2165.7-178.1-174.5800109.5T407 D409 V422T407-Q420 WeakPolarHBondContact O-CG 3.37Å; T407-Q420 PolarHBondContact O-NE2 2.72Å; D409-Q420 PolarHBondContact OD1-N 3.29Å; Q420-V422 VanDerWaalsContact C-N 3.32Å; Q420-V422 PolarHBondContact O-N 3.07Å
421G89.9Confident95.6Very high13 Ų1328.1 Ų28.113%0.13418%0.179CC..THydrogen-bonded Turntrans94.1-23.7176.300000115K405 Y406 P419K405-G421 VanDerWaalsContact CE-O 3.26Å; K405-G421 WeakPolarHBondContact CE-O 3.43Å; Y406-G421 PolarHBondContact O-N 3.33Å; P419-G421 PolarHBondContact O-N 3.2Å
422V95.4Very high95.7Very high1 Ų124.7 Ų24.71%0.00615%0.15CC..  trans-74.5142.9178.4174.10000110.6Y46 L50 H99 V101 V418 P419 Q420 C424Y46-V422 HydrophobicContact CD1-CG2 3.47Å; Y46-V422 VanDerWaalsContact CD1-CG2 3.47Å; Y46-V422 HydrophobicContact CE1-CG2 3.55Å; L50-V422 HydrophobicContact CD1-CG1 4.32Å; L50-V422 HydrophobicContact CD1-CG2 4.25Å; L50-V422 HydrophobicContact CD2-CG1 4.29Å; L50-V422 HydrophobicContact CD2-CG2 4.28Å; L50-V422 HydrophobicContact CG-CG2 4.45Å; H99-V422 HydrophobicContact CB-CG2 4.49Å; V101-V422 HydrophobicContact CG2-CG1 4.05Å; V418-V422 HydrophobicContact CG1-CB 4.41Å; V418-V422 HydrophobicContact CG1-CG1 4.48Å; P419-V422 HydrophobicContact CB-CG2 3.95Å; P419-V422 HydrophobicContact CG-CG2 4.07Å; P419-V422 WeakPolarHBondContact O-CB 3.41Å; P419-V422 PolarHBondContact O-N 3.26Å; Q420-V422 VanDerWaalsContact C-N 3.32Å; Q420-V422 PolarHBondContact O-N 3.07Å; V422-C424 PolarHBondContact O-N 3.45Å
423I96.4Very high95.7Very high11 Ų1124.2 Ų24.26%0.05615%0.148CC..EExtended strand (participates in β ladder)trans-80.1120.2173.7-56.1166.6000108.2Y98 H99 M100 V101 D123 F125 T403 R404Y98-I423 HydrophobicContact CD1-CD1 4.08Å; H99-I423 PolarHBondContact O-N 2.69Å; M100-I423 CarbonylContact C-O 3.28Å; M100-I423 WeakPolarHBondContact CA-O 3.4Å; M100-I423 HydrophobicContact CB-CB 4.4Å; M100-I423 WeakPolarHBondContact CB-O 3.06Å; M100-I423 HydrophobicContact CE-CB 4.34Å; M100-I423 HydrophobicContact CE-CG2 3.87Å; M100-I423 HydrophobicContact CG-CB 3.99Å; M100-I423 HydrophobicContact CG-CD1 4.39Å; V101-I423 PolarHBondContact N-O 3.14Å; D123-I423 HydrophobicContact CB-CG1 4.28Å; D123-I423 HydrophobicContact CB-CG2 4.36Å; F125-I423 HydrophobicContact CB-CD1 3.71Å; F125-I423 HydrophobicContact CD1-CD1 4.35Å; F125-I423 HydrophobicContact CG-CD1 4.14Å; T403-I423 HydrophobicContact CG2-CG2 4.03Å; R404-I423 CarbonylContact O-C 3.54Å; R404-I423 WeakPolarHBondContact O-CA 3.35Å
424C97.2Very high95.8Very high0 Ų021.9 Ų21.90%013%0.132CC..EExtended strand (participates in β ladder)trans-93115.9171.5-175.30000109.8V101 L112 T403 R404 Y406 V418 V422V101-C424 CarbonylContact O-C 3.45Å; V101-C424 WeakPolarHBondContact O-CA 3.48Å; L112-C424 WeakPolarHBondContact CD1-SG 3.38Å; T403-C424 CarbonylContact C-O 3.35Å; T403-C424 VanDerWaalsContact CA-O 3.24Å; T403-C424 WeakPolarHBondContact CA-O 3.23Å; R404-C424 HydrophobicContact CB-CB 4.47Å; R404-C424 PolarHBondContact N-O 3.49Å; R404-C424 PolarHBondContact O-N 3.44Å; Y406-C424 HydrophobicContact CD2-CB 4.45Å; Y406-C424 HydrophobicContact CE2-CB 3.73Å; V418-C424 HydrophobicContact CG1-CB 4.47Å; V422-C424 PolarHBondContact O-N 3.45Å
425L97.4Very high96.2Very high16 Ų1621.4 Ų21.48%0.08412%0.119CC..EExtended strand (participates in β ladder)trans-95.2111171.2-173.6159.8000108.9M100 V101 R102 V103 A401 T403M100-L425 HydrophobicContact CE-CB 3.78Å; M100-L425 HydrophobicContact CE-CD1 3.82Å; M100-L425 HydrophobicContact CE-CG 4.44Å; V101-L425 PolarHBondContact O-N 2.95Å; R102-L425 WeakPolarHBondContact CA-O 3.43Å; R102-L425 HydrophobicContact CG-CB 4.11Å; R102-L425 HydrophobicContact CG-CD1 4.42Å; R102-L425 HydrophobicContact CG-CD2 4.17Å; R102-L425 HydrophobicContact CG-CG 4.46Å; V103-L425 PolarHBondContact N-O 3.09Å; A401-L425 HydrophobicContact CB-CD2 3.76Å; A401-L425 HydrophobicContact CB-CG 4.16Å; T403-L425 HydrophobicContact CG2-CB 4.05Å; T403-L425 HydrophobicContact CG2-CD1 4.35Å; T403-L425 HydrophobicContact CG2-CG 4.08Å
426V97.8Very high96.4Very high0 Ų018.3 Ų18.30%010%0.099CC..EExtended strand (participates in β ladder)trans-87.3109.7171.2176.80000108.1V103 V109 L113 A401 V402 L428V103-V426 HydrophobicContact CG2-CB 4.26Å; V103-V426 HydrophobicContact CG2-CG2 3.83Å; V109-V426 HydrophobicContact CB-CG1 4.42Å; V109-V426 HydrophobicContact CG1-CG1 3.57Å; V109-V426 HydrophobicContact CG2-CG1 4.03Å; L113-V426 HydrophobicContact CD1-CG1 4.3Å; L113-V426 HydrophobicContact CD2-CG1 4.3Å; L113-V426 HydrophobicContact CD2-CG2 4.05Å; L113-V426 HydrophobicContact CG-CG1 4.42Å; A401-V426 VanDerWaalsContact CA-O 3.3Å; A401-V426 WeakPolarHBondContact CA-O 3.28Å; V402-V426 HydrophobicContact CG2-CB 3.96Å; V402-V426 HydrophobicContact CG2-CG1 4.38Å; V402-V426 PolarHBondContact N-O 2.92Å; V402-V426 PolarHBondContact O-N 2.84Å; V426-L428 HydrophobicContact CG1-CD2 4.17Å; V426-L428 PolarHBondContact O-N 3.44Å
427S97.6Very high96.2Very high6 Ų618.7 Ų18.74%0.04210%0.102CC..EExtended strand (participates in β ladder)trans-84.1102.5179.1-173.20000109.4V103 G430 T431V103-S427 PolarHBondContact O-N 3.43Å; S427-G430 WeakPolarHBondContact OG-CA 3.46Å; S427-G430 PolarHBondContact OG-N 2.82Å; S427-T431 WeakPolarHBondContact O-CB 3.21Å; S427-T431 PolarHBondContact O-N 3.49Å; S427-T431 PolarHBondContact O-OG1 2.65Å
428L98Very high96.1Very high2 Ų216.9 Ų16.91%0.019%0.09CC..Hα-helixtrans-66.8-47.1175.3-55179.4000109.3V399 Q400 V402 V426 G430 T431 H432 I463V399-L428 HydrophobicContact CB-CD1 4.33Å; V399-L428 HydrophobicContact CG1-CD1 4.22Å; V399-L428 WeakPolarHBondContact O-CD1 3.37Å; Q400-L428 WeakPolarHBondContact O-CA 3.31Å; Q400-L428 WeakPolarHBondContact O-CB 3.46Å; Q400-L428 PolarHBondContact O-N 3.47Å; V402-L428 HydrophobicContact CG1-CD1 4.32Å; V402-L428 HydrophobicContact CG2-CD2 4.5Å; V426-L428 HydrophobicContact CG1-CD2 4.17Å; V426-L428 PolarHBondContact O-N 3.44Å; L428-G430 PolarHBondContact O-N 2.83Å; L428-T431 PolarHBondContact O-N 3.11Å; L428-H432 WeakPolarHBondContact O-CB 3.27Å; L428-H432 PolarHBondContact O-CD2 3.02Å; L428-H432 VanDerWaalsContact O-CD2 3.28Å; L428-H432 PolarHBondContact O-N 3.49Å; L428-I463 HydrophobicContact CD2-CB 4.47Å; L428-I463 HydrophobicContact CD2-CD1 3.51Å; L428-I463 HydrophobicContact CD2-CG1 3.78Å
429Y97.8Very high95.9Very high5 Ų522 Ų222%0.0212%0.121CC..Hα-helixtrans-55.2-50.2174.9178.2-95.4000111.5L76 V79 D80 Q400 T431 H432 H433 R512L76-Y429 HydrophobicContact CB-CE1 4.3Å; L76-Y429 HydrophobicContact CD1-CE2 4.35Å; L76-Y429 HydrophobicContact CD2-CD1 4.15Å; L76-Y429 HydrophobicContact CD2-CD2 4.23Å; L76-Y429 HydrophobicContact CD2-CE1 4.2Å; L76-Y429 HydrophobicContact CD2-CE2 4.28Å; L76-Y429 HydrophobicContact CD2-CG 4.18Å; V79-Y429 HydrophobicContact CB-CD1 4.17Å; V79-Y429 HydrophobicContact CB-CE1 4.24Å; V79-Y429 HydrophobicContact CG1-CD1 3.77Å; V79-Y429 HydrophobicContact CG1-CE1 4.22Å; D80-Y429 WeakPolarHBondContact OD1-CE1 3.38Å; D80-Y429 PolarHBondContact OD1-OH 2.77Å; D80-Y429 PolarHBondContact OD2-OH 3.12Å; Q400-Y429 PolarHBondContact O-N 3.5Å; Y429-T431 VanDerWaalsContact C-N 3.33Å; Y429-T431 PolarHBondContact O-N 3.46Å; Y429-H432 PolarHBondContact O-N 3.36Å; Y429-H432 VanDerWaalsContact O-N 3.15Å; Y429-H433 AromaticContact CD2-CE1 3.48Å; Y429-H433 VanDerWaalsContact CD2-CE1 3.48Å; Y429-H433 WeakPolarHBondContact CD2-CE1 3.33Å; Y429-H433 AromaticContact CD2-ND1 3.51Å; Y429-H433 AromaticContact CE2-CE1 3.23Å; Y429-H433 WeakPolarHBondContact CE2-CE1 3.37Å; Y429-H433 AromaticContact CE2-ND1 3.44Å; Y429-H433 WeakPolarHBondContact CE2-ND1 3.3Å; Y429-H433 AromaticContact CE2-NE2 3.8Å; Y429-H433 AromaticContact CG-ND1 3.91Å; Y429-H433 AromaticContact CZ-CE1 3.9Å; Y429-H433 AromaticContact CZ-ND1 3.78Å; Y429-H433 PolarHBondContact O-N 2.8Å; Y429-H433 PolarHBondContact O-ND1 3.41Å; Y429-R512 PolarHBondContact OH-NH1 3.11Å
430G97.4Very high95.9Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-63.6-37.5179.900000112.9S427 L428 H432 H433 N434S427-G430 WeakPolarHBondContact OG-CA 3.46Å; S427-G430 PolarHBondContact OG-N 2.82Å; L428-G430 PolarHBondContact O-N 2.83Å; G430-H432 VanDerWaalsContact C-N 3.34Å; G430-H433 PolarHBondContact O-N 3.42Å; G430-N434 WeakPolarHBondContact O-CB 3.03Å; G430-N434 PolarHBondContact O-N 2.75Å
431T97.8Very high95.9Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-65.6-38.2174.9-54.60000111.9F104 P106 S427 L428 Y429 H433 W438 H460 I463F104-T431 VanDerWaalsContact O-CA 3.27Å; F104-T431 WeakPolarHBondContact O-CA 3.21Å; F104-T431 PolarHBondContact O-OG1 3.33Å; P106-T431 HydrophobicContact CG-CG2 3.96Å; S427-T431 WeakPolarHBondContact O-CB 3.21Å; S427-T431 PolarHBondContact O-N 3.49Å; S427-T431 PolarHBondContact O-OG1 2.65Å; L428-T431 PolarHBondContact O-N 3.11Å; Y429-T431 VanDerWaalsContact C-N 3.33Å; Y429-T431 PolarHBondContact O-N 3.46Å; T431-H433 VanDerWaalsContact C-N 3.32Å; T431-W438 PolarHBondContact O-NE1 2.81Å; T431-W438 VanDerWaalsContact O-NE1 3.12Å; T431-H460 WeakPolarHBondContact CG2-O 3.35Å; T431-I463 HydrophobicContact CG2-CD1 4.27Å; T431-I463 HydrophobicContact CG2-CG1 4.44Å
432H97.8Very high96.2Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-77.8-17.5-178.9-67.1177.3000113.5R394 L428 Y429 G430 W438 G461 I463R394-H432 HydrophobicContact CG-CB 3.7Å; R394-H432 PolarHBondContact NH1-O 2.72Å; R394-H432 VanDerWaalsContact O-CB 3.22Å; R394-H432 WeakPolarHBondContact O-CB 3.45Å; R394-H432 PolarHBondContact O-ND1 3.22Å; L428-H432 WeakPolarHBondContact O-CB 3.27Å; L428-H432 PolarHBondContact O-CD2 3.02Å; L428-H432 VanDerWaalsContact O-CD2 3.28Å; L428-H432 PolarHBondContact O-N 3.49Å; Y429-H432 PolarHBondContact O-N 3.36Å; Y429-H432 VanDerWaalsContact O-N 3.15Å; G430-H432 VanDerWaalsContact C-N 3.34Å; H432-W438 PolarHBondContact O-NE1 2.79Å; H432-G461 PolarHBondContact CD2-O 3.47Å; H432-I463 PolarHBondContact NE2-N 3.36Å
433H97Very high96.2Very high4 Ų430.7 Ų30.72%0.01916%0.163CC..THydrogen-bonded Turntrans-112.89.9177.6-63.581.9000113.2R394 L395 Y429 G430 T431 P435 P441 H442R394-H433 PolarHBondContact O-CE1 3.33Å; L395-H433 PolarHBondContact O-CE1 2.95Å; L395-H433 VanDerWaalsContact O-CE1 3.26Å; L395-H433 PolarHBondContact O-NE2 3.04Å; Y429-H433 AromaticContact CD2-CE1 3.48Å; Y429-H433 VanDerWaalsContact CD2-CE1 3.48Å; Y429-H433 WeakPolarHBondContact CD2-CE1 3.33Å; Y429-H433 AromaticContact CD2-ND1 3.51Å; Y429-H433 AromaticContact CE2-CE1 3.23Å; Y429-H433 WeakPolarHBondContact CE2-CE1 3.37Å; Y429-H433 AromaticContact CE2-ND1 3.44Å; Y429-H433 WeakPolarHBondContact CE2-ND1 3.3Å; Y429-H433 AromaticContact CE2-NE2 3.8Å; Y429-H433 AromaticContact CG-ND1 3.91Å; Y429-H433 AromaticContact CZ-CE1 3.9Å; Y429-H433 AromaticContact CZ-ND1 3.78Å; Y429-H433 PolarHBondContact O-N 2.8Å; Y429-H433 PolarHBondContact O-ND1 3.41Å; G430-H433 PolarHBondContact O-N 3.42Å; T431-H433 VanDerWaalsContact C-N 3.32Å; H433-P435 WeakPolarHBondContact O-CD 2.99Å; H433-P441 HydrophobicContact CB-CB 4.29Å; H433-P441 PolarHBondContact CD2-O 3.04Å; H433-P441 VanDerWaalsContact O-CB 3.24Å; H433-P441 WeakPolarHBondContact O-CB 3.46Å; H433-P441 WeakPolarHBondContact O-CG 3.44Å; H433-H442 AromaticContact CD2-CE1 3.71Å; H433-H442 AromaticContact CD2-ND1 3.48Å; H433-H442 PolarHBondContact CD2-ND1 2.84Å
434N96.7Very high96.3Very high0 Ų030.8 Ų30.80%016%0.163CC..  trans-70118.7-179.2-165.2-36.1000110.7V83 K87 F104 G430 E436 V437 W438V83-N434 HydrophobicContact CG1-CB 4.01Å; K87-N434 PolarHBondContact O-ND2 3.47Å; F104-N434 PolarHBondContact O-ND2 3.45Å; G430-N434 WeakPolarHBondContact O-CB 3.03Å; G430-N434 PolarHBondContact O-N 2.75Å; N434-E436 PolarHBondContact O-N 3.3Å; N434-E436 PolarHBondContact OD1-N 3.01Å; N434-V437 HydrophobicContact CB-CB 4.36Å; N434-V437 HydrophobicContact CB-CG2 4.05Å; N434-V437 PolarHBondContact O-N 3.04Å; N434-W438 PolarHBondContact O-N 3.05Å
435P94.3Very high96.4Very high51 Ų5132.9 Ų32.933%0.33117%0.174SC..THydrogen-bonded Turntrans-68.2-15.6-177.528.4-36000113.8Q84 H433 V437 P441Q84-P435 HydrophobicContact CG-CG 4.42Å; H433-P435 WeakPolarHBondContact O-CD 2.99Å; P435-V437 VanDerWaalsContact C-N 3.26Å; P435-P441 HydrophobicContact CB-CG 4.39Å
436E93Very high96.4Very high96 Ų9632.1 Ų32.145%0.44917%0.17SC..THydrogen-bonded Turntrans-75.2-18.1171.7-65-173.8171.500112.5K87 H88 H105 N434K87-E436 WeakPolarHBondContact CB-OE1 3.31Å; K87-E436 HydrophobicContact CD-CG 4.23Å; K87-E436 WeakPolarHBondContact CD-OE1 3.29Å; K87-E436 VanDerWaalsContact CG-OE1 3.26Å; K87-E436 WeakPolarHBondContact CG-OE1 3.48Å; H88-E436 IonicContact CD2-OE2 2.93Å; H88-E436 PolarHBondContact CD2-OE2 3.3Å; H88-E436 IonicContact CE1-OE2 3.95Å; H88-E436 IonicContact NE2-OE1 2.71Å; H88-E436 IonicContact NE2-OE2 2.74Å; H88-E436 PolarHBondContact NE2-OE2 3.46Å; H105-E436 IonicContact CD2-OE2 3.05Å; H105-E436 IonicContact NE2-OE2 3.72Å; N434-E436 PolarHBondContact O-N 3.3Å; N434-E436 PolarHBondContact OD1-N 3.01Å
437V93.2Very high96.3Very high34 Ų3435.2 Ų35.221%0.20619%0.186CC..THydrogen-bonded Turntrans-110.2-33.8-176.4-174.10000111.3P106 N434 P435P106-V437 VanDerWaalsContact CD-CG2 3.47Å; P106-V437 HydrophobicContact CG-CG1 4.13Å; P106-V437 HydrophobicContact CG-CG2 3.68Å; N434-V437 HydrophobicContact CB-CB 4.36Å; N434-V437 HydrophobicContact CB-CG2 4.05Å; N434-V437 PolarHBondContact O-N 3.04Å; P435-V437 VanDerWaalsContact C-N 3.26Å
438W94.4Very high96.2Very high8 Ų836.4 Ų36.43%0.0319%0.189CC..SBendtrans-128.5110.1-172.4-57.5100.3000110.7R394 T431 H432 N434 N440 P441 R448 F449 G461 F462R394-W438 VanDerWaalsContact CD-CE3 3.46Å; R394-W438 VanDerWaalsContact CD-CH2 3.44Å; R394-W438 HydrophobicContact CG-CH2 4.23Å; R394-W438 HydrophobicContact CG-CZ2 4.07Å; T431-W438 PolarHBondContact O-NE1 2.81Å; T431-W438 VanDerWaalsContact O-NE1 3.12Å; H432-W438 PolarHBondContact O-NE1 2.79Å; N434-W438 PolarHBondContact O-N 3.05Å; W438-N440 PolarHBondContact O-N 2.71Å; W438-P441 HydrophobicContact CB-CB 4.18Å; W438-P441 WeakPolarHBondContact O-CD 3.4Å; W438-R448 HydrophobicContact CZ3-CB 4.24Å; W438-F449 HydrophobicContact CH2-CE1 4.21Å; W438-F449 AromaticContact CH2-CZ 3.8Å; W438-F449 HydrophobicContact CH2-CZ 3.8Å; W438-F449 HydrophobicContact CZ3-CZ 4.24Å; W438-G461 VanDerWaalsContact CZ2-O 3.27Å; W438-G461 WeakPolarHBondContact CZ2-O 3.36Å; W438-G461 PolarHBondContact NE1-O 2.95Å; W438-F462 HydrophobicContact CH2-CB 4.11Å; W438-F462 HydrophobicContact CH2-CD2 4.46Å; W438-F462 HydrophobicContact CZ2-CB 3.95Å; W438-F462 HydrophobicContact CZ2-CD2 4.48Å
439T93.5Very high96.1Very high107 Ų10736.7 Ų36.766%0.65619%0.191SC*.SBendtrans-62.5130.9172.5-48.90000110.2R448T439-R448 PolarHBondContact O-NH1 2.71Å; T439-R448 PolarHBondContact O-NH2 3.26Å
440N95.4Very high95.9Very high88 Ų8840.2 Ų40.247%0.47121%0.207SC..SBendtrans4964.3-173.7-57.6-16.1000112.3W438 H442 E443 R448W438-N440 PolarHBondContact O-N 2.71Å; N440-H442 PolarHBondContact O-N 3.05Å; N440-E443 HydrophobicContact CB-CB 4.21Å; N440-E443 HydrophobicContact CB-CG 3.93Å; N440-E443 WeakPolarHBondContact CB-OE2 3.44Å; N440-E443 PolarHBondContact ND2-OE2 2.97Å; N440-E443 PolarHBondContact O-N 2.74Å; N440-R448 PolarHBondContact O-NH2 2.68Å; N440-R448 VanDerWaalsContact O-NH2 3.12Å
441P95.6Very high95.5Very high16 Ų1644.5 Ų44.510%0.10424%0.235CC..THydrogen-bonded Turntrans-62.4-17.2-165.922.3-31.9000114.6R394 L395 H433 P435 W438R394-P441 PolarHBondContact NH1-O 3.46Å; R394-P441 PolarHBondContact NH2-O 3.27Å; R394-P441 VanDerWaalsContact NH2-O 3.09Å; L395-P441 VanDerWaalsContact CD2-O 3.27Å; L395-P441 WeakPolarHBondContact CD2-O 3.43Å; H433-P441 HydrophobicContact CB-CB 4.29Å; H433-P441 PolarHBondContact CD2-O 3.04Å; H433-P441 VanDerWaalsContact O-CB 3.24Å; H433-P441 WeakPolarHBondContact O-CB 3.46Å; H433-P441 WeakPolarHBondContact O-CG 3.44Å; P435-P441 HydrophobicContact CB-CG 4.39Å; W438-P441 HydrophobicContact CB-CB 4.18Å; W438-P441 WeakPolarHBondContact O-CD 3.4Å
442H95.7Very high95.1Very high91 Ų9148.7 Ų48.742%0.42126%0.261SS..THydrogen-bonded Turntrans-97.3-3.5-179.9-58.7-69.4000114.1D80 H433 N440D80-H442 VanDerWaalsContact CG-CE1 3.45Å; D80-H442 IonicContact OD1-CE1 3.16Å; D80-H442 PolarHBondContact OD1-CE1 3.21Å; D80-H442 IonicContact OD2-CE1 3.14Å; D80-H442 PolarHBondContact OD2-CE1 2.79Å; H433-H442 AromaticContact CD2-CE1 3.71Å; H433-H442 AromaticContact CD2-ND1 3.48Å; H433-H442 PolarHBondContact CD2-ND1 2.84Å; N440-H442 PolarHBondContact O-N 3.05Å
443E97.1Very high94.3Very high110 Ų11052.4 Ų52.451%0.51428%0.281SS..SBendtrans-84.2139.4176-69.3179.6171.400110.7R394 N440 D445R394-E443 PolarHBondContact NH2-O 3.39Å; N440-E443 HydrophobicContact CB-CB 4.21Å; N440-E443 HydrophobicContact CB-CG 3.93Å; N440-E443 WeakPolarHBondContact CB-OE2 3.44Å; N440-E443 PolarHBondContact ND2-OE2 2.97Å; N440-E443 PolarHBondContact O-N 2.74Å; E443-D445 PolarHBondContact O-N 2.93Å
444F98.3Very high93.4Very high13 Ų1354.7 Ų54.76%0.05730%0.295CS..  trans-84.8102.8173-178.8-98.4000109.3N347 H351 Y354 C388 E391 L395 P446N347-F444 HydrophobicContact CB-CD1 4.49Å; N347-F444 HydrophobicContact CB-CD2 3.75Å; N347-F444 HydrophobicContact CB-CE1 4.33Å; N347-F444 HydrophobicContact CB-CE2 3.55Å; N347-F444 HydrophobicContact CB-CG 4.23Å; N347-F444 HydrophobicContact CB-CZ 3.87Å; H351-F444 AromaticContact CE1-CD1 3.83Å; H351-F444 AromaticContact CE1-CG 3.99Å; H351-F444 AromaticContact CG-CD1 3.95Å; H351-F444 AromaticContact ND1-CD1 3.62Å; Y354-F444 AromaticContact CD2-CD1 3.85Å; Y354-F444 HydrophobicContact CD2-CD1 3.85Å; Y354-F444 AromaticContact CD2-CE1 3.73Å; Y354-F444 HydrophobicContact CD2-CE1 3.73Å; Y354-F444 HydrophobicContact CE2-CD1 4.05Å; Y354-F444 HydrophobicContact CE2-CE1 4.28Å; C388-F444 HydrophobicContact CB-CZ 4.2Å; E391-F444 HydrophobicContact CB-CD2 4.16Å; E391-F444 HydrophobicContact CB-CE2 3.86Å; E391-F444 HydrophobicContact CB-CZ 4.44Å; E391-F444 HydrophobicContact CG-CD2 3.46Å; E391-F444 VanDerWaalsContact CG-CD2 3.46Å; E391-F444 HydrophobicContact CG-CE2 3.69Å; E391-F444 HydrophobicContact CG-CG 4.05Å; E391-F444 HydrophobicContact CG-CZ 4.44Å; L395-F444 HydrophobicContact CD1-CB 3.7Å; L395-F444 HydrophobicContact CD1-CD2 3.87Å; L395-F444 HydrophobicContact CD1-CG 4.29Å; F444-P446 HydrophobicContact CD1-CG 4.25Å; F444-P446 HydrophobicContact CE1-CG 3.62Å; F444-P446 HydrophobicContact CZ-CG 3.96Å
445D97.8Very high92.2Very high44 Ų4463 Ų6324%0.23533%0.334CS..  trans-129.799.8176.617319.1000110.9E391 E443 L447 R448E391-D445 VanDerWaalsContact CD-O 3.23Å; E391-D445 PolarHBondContact OE1-N 3.27Å; E443-D445 PolarHBondContact O-N 2.93Å; D445-L447 PolarHBondContact O-N 3.02Å; D445-L447 VanDerWaalsContact OD1-CB 3.25Å; D445-L447 WeakPolarHBondContact OD1-CB 3.49Å; D445-L447 PolarHBondContact OD1-N 2.66Å; D445-R448 HydrophobicContact CB-CG 4.14Å; D445-R448 VanDerWaalsContact O-CG 3.26Å; D445-R448 WeakPolarHBondContact O-CG 3.46Å; D445-R448 PolarHBondContact O-N 3.48Å
446P98.1Very high91.1Very high0 Ų065.8 Ų65.80%036%0.355CS..G310 helixtrans-57.6-27.9175.7-26.136.1000113.9Y354 F384 M387 C388 F444 R448 F449Y354-P446 HydrophobicContact CD1-CG 4.48Å; Y354-P446 HydrophobicContact CD2-CG 3.89Å; Y354-P446 HydrophobicContact CE2-CG 3.94Å; Y354-P446 HydrophobicContact CG-CG 4.17Å; F384-P446 HydrophobicContact CE2-CB 4.18Å; F384-P446 HydrophobicContact CZ-CB 4.31Å; F384-P446 HydrophobicContact CZ-CG 4.44Å; M387-P446 HydrophobicContact CB-CB 4Å; M387-P446 WeakPolarHBondContact CB-O 3.39Å; C388-P446 HydrophobicContact CB-CG 4.39Å; C388-P446 WeakPolarHBondContact SG-CG 3.23Å; F444-P446 HydrophobicContact CD1-CG 4.25Å; F444-P446 HydrophobicContact CE1-CG 3.62Å; F444-P446 HydrophobicContact CZ-CG 3.96Å; P446-R448 PolarHBondContact O-N 2.84Å; P446-R448 VanDerWaalsContact O-N 3.12Å; P446-F449 PolarHBondContact O-N 2.69Å
447L96.3Very high90.5Very high64 Ų6463.4 Ų63.434%0.33534%0.341SS..G310 helixtrans-68.4-14.2-173.9-55.8178.1000112.7F384 D445 F449 E450 N453F384-L447 HydrophobicContact CE2-CD2 4.15Å; D445-L447 PolarHBondContact O-N 3.02Å; D445-L447 VanDerWaalsContact OD1-CB 3.25Å; D445-L447 WeakPolarHBondContact OD1-CB 3.49Å; D445-L447 PolarHBondContact OD1-N 2.66Å; L447-F449 PolarHBondContact O-N 3.34Å; L447-F449 VanDerWaalsContact O-N 3.1Å; L447-E450 VanDerWaalsContact O-CB 3.25Å; L447-E450 WeakPolarHBondContact O-CB 3.23Å; L447-E450 PolarHBondContact O-N 2.81Å; L447-N453 PolarHBondContact O-ND2 2.85Å
448R95.3Very high90.2Very high32 Ų3263.7 Ų63.712%0.12135%0.345CS..G310 helixtrans-58.3-19167.4-60177.3-167.1-723.6113.8E391 W438 T439 N440 D445 P446 R457E391-R448 IonicContact OE1-NE 3.78Å; E391-R448 PolarHBondContact OE1-NE 3.27Å; W438-R448 HydrophobicContact CZ3-CB 4.24Å; T439-R448 PolarHBondContact O-NH1 2.71Å; T439-R448 PolarHBondContact O-NH2 3.26Å; N440-R448 PolarHBondContact O-NH2 2.68Å; N440-R448 VanDerWaalsContact O-NH2 3.12Å; D445-R448 HydrophobicContact CB-CG 4.14Å; D445-R448 VanDerWaalsContact O-CG 3.26Å; D445-R448 WeakPolarHBondContact O-CG 3.46Å; D445-R448 PolarHBondContact O-N 3.48Å; P446-R448 PolarHBondContact O-N 2.84Å; P446-R448 VanDerWaalsContact O-N 3.12Å; R448-R457 PolarHBondContact O-NH1 2.94Å
449F96.3Very high89.7Confident8 Ų867.1 Ų67.14%0.03537%0.37CS..G310 helixtrans-106.29.2178.5-66.4-80.3000113.4M387 K390 E391 R394 W438 P446 L447 F462M387-F449 HydrophobicContact CB-CB 4.18Å; M387-F449 HydrophobicContact CG-CB 3.86Å; K390-F449 HydrophobicContact CB-CB 4.44Å; K390-F449 HydrophobicContact CB-CD1 3.77Å; K390-F449 HydrophobicContact CB-CD2 3.77Å; K390-F449 HydrophobicContact CB-CE1 3.87Å; K390-F449 HydrophobicContact CB-CE2 3.87Å; K390-F449 HydrophobicContact CB-CG 3.71Å; K390-F449 HydrophobicContact CB-CZ 3.91Å; K390-F449 HydrophobicContact CD-CB 4.18Å; K390-F449 HydrophobicContact CD-CD1 3.66Å; K390-F449 HydrophobicContact CD-CE1 4.25Å; K390-F449 HydrophobicContact CD-CG 3.98Å; K390-F449 HydrophobicContact CG-CD1 4.32Å; E391-F449 HydrophobicContact CB-CD2 4.1Å; E391-F449 HydrophobicContact CB-CE2 3.93Å; E391-F449 VanDerWaalsContact OE2-CE2 3.28Å; E391-F449 WeakPolarHBondContact OE2-CE2 3.49Å; R394-F449 HydrophobicContact CB-CZ 4.35Å; W438-F449 HydrophobicContact CH2-CE1 4.21Å; W438-F449 AromaticContact CH2-CZ 3.8Å; W438-F449 HydrophobicContact CH2-CZ 3.8Å; W438-F449 HydrophobicContact CZ3-CZ 4.24Å; P446-F449 PolarHBondContact O-N 2.69Å; L447-F449 PolarHBondContact O-N 3.34Å; L447-F449 VanDerWaalsContact O-N 3.1Å; F449-F462 HydrophobicContact CE1-CB 4.28Å; F449-F462 AromaticContact CE1-CD1 3.77Å; F449-F462 HydrophobicContact CE1-CD1 3.77Å; F449-F462 AromaticContact CE1-CD2 3.85Å; F449-F462 HydrophobicContact CE1-CD2 3.85Å; F449-F462 AromaticContact CE1-CE1 3.95Å; F449-F462 HydrophobicContact CE1-CE1 3.95Å; F449-F462 HydrophobicContact CE1-CE2 4.03Å; F449-F462 AromaticContact CE1-CG 3.7Å; F449-F462 HydrophobicContact CE1-CG 3.7Å; F449-F462 HydrophobicContact CE1-CZ 4.04Å; F449-F462 HydrophobicContact CZ-CD1 4.37Å; F449-F462 AromaticContact CZ-CD2 3.63Å; F449-F462 HydrophobicContact CZ-CD2 3.63Å; F449-F462 HydrophobicContact CZ-CE1 4.4Å; F449-F462 AromaticContact CZ-CE2 3.67Å; F449-F462 HydrophobicContact CZ-CE2 3.67Å; F449-F462 AromaticContact CZ-CG 3.98Å; F449-F462 HydrophobicContact CZ-CG 3.98Å; F449-F462 HydrophobicContact CZ-CZ 4.04Å
450E93.8Very high89.8Confident79 Ų7962.7 Ų62.737%0.36934%0.342SS..SBendtrans-59.2143.5166-165.5172-10800109.5M387 L447 T452 N453 T454M387-E450 HydrophobicContact SD-CB 4.33Å; L447-E450 VanDerWaalsContact O-CB 3.25Å; L447-E450 WeakPolarHBondContact O-CB 3.23Å; L447-E450 PolarHBondContact O-N 2.81Å; E450-T452 WeakPolarHBondContact CG-OG1 3.42Å; E450-T452 PolarHBondContact O-N 3.44Å; E450-T452 PolarHBondContact OE2-OG1 2.89Å; E450-N453 PolarHBondContact O-N 2.96Å; E450-N453 VanDerWaalsContact O-N 3.14Å; E450-T454 WeakPolarHBondContact O-CB 3.33Å; E450-T454 PolarHBondContact O-N 2.85Å; E450-T454 PolarHBondContact O-OG1 2.91Å
451P88.9Confident89.8Confident90 Ų9058.5 Ų58.558%0.58432%0.32SS*.Hα-helixtrans-54.7-38.1-178.6-30.136.9000114.1T454P451-T454 PolarHBondContact O-N 3.35Å
452T87.8Confident89.9Confident88 Ų8859.8 Ų59.854%0.5432%0.324SS..Hα-helixtrans-58.2-47.3175.849.10000112E450E450-T452 WeakPolarHBondContact CG-OG1 3.42Å; E450-T452 PolarHBondContact O-N 3.44Å; E450-T452 PolarHBondContact OE2-OG1 2.89Å
453N82.4Confident90Very high78 Ų7855.8 Ų55.842%0.41731%0.305SS..Hα-helixtrans-79.1-20-178.5-65.8-30.2000113.3L447 E450 S456L447-N453 PolarHBondContact O-ND2 2.85Å; E450-N453 PolarHBondContact O-N 2.96Å; E450-N453 VanDerWaalsContact O-N 3.14Å; N453-S456 PolarHBondContact O-OG 3.37Å
454T78.2Confident90Very high52 Ų5251.2 Ų51.232%0.31929%0.285SS..Hα-helixtrans-78.3-27.3-178.3-64.30000112.8E450 P451 S456 R457E450-T454 WeakPolarHBondContact O-CB 3.33Å; E450-T454 PolarHBondContact O-N 2.85Å; E450-T454 PolarHBondContact O-OG1 2.91Å; P451-T454 PolarHBondContact O-N 3.35Å; T454-S456 VanDerWaalsContact C-N 3.33Å; T454-S456 PolarHBondContact O-N 2.99Å; T454-R457 PolarHBondContact O-N 2.9Å; T454-R457 PolarHBondContact OG1-NH2 3.44Å
455Q71.4Confident90Very high173 Ų17352 Ų5281%0.80829%0.289SS*.THydrogen-bonded Turntrans-66.2-31-175.1-72.5178.517.700113.8
456S70.4Confident89.9Confident111 Ų11150.8 Ų50.878%0.77628%0.284SS*.THydrogen-bonded Turntrans-87.5-11.1179.756.70000113.8N453 T454N453-S456 PolarHBondContact O-OG 3.37Å; T454-S456 VanDerWaalsContact C-N 3.33Å; T454-S456 PolarHBondContact O-N 2.99Å
457R81.8Confident89.8Confident45 Ų4552.1 Ų52.117%0.1729%0.293CS..SBendtrans-78139.4-176.6-175.2170.858.2-140-12.2111.1R448 T454 S459R448-R457 PolarHBondContact O-NH1 2.94Å; T454-R457 PolarHBondContact O-N 2.9Å; T454-R457 PolarHBondContact OG1-NH2 3.44Å; R457-S459 PolarHBondContact O-N 3.46Å
458S84.9Confident89.7Confident40 Ų4049.9 Ų49.928%0.2829%0.285SS..  trans-53.1134.4172.8179.50000111.3P106 H460 G461P106-S458 VanDerWaalsContact CB-OG 3.25Å; P106-S458 WeakPolarHBondContact CB-OG 3.49Å; S458-H460 PolarHBondContact O-N 3.2Å; S458-G461 PolarHBondContact O-N 3.35Å
459S85.3Confident89.7Confident81 Ų8150.3 Ų50.357%0.56629%0.293SS*.THydrogen-bonded Turntrans-52.4-22.6-178.759.70000115R457R457-S459 PolarHBondContact O-N 3.46Å
460H95.1Very high89.7Confident13 Ų1350.8 Ų50.86%0.0629%0.294CS..THydrogen-bonded Turntrans-116.316.5179.6-70.564.6000112.8P106 K110 T431 S458 F462 I463 S467P106-H460 HydrophobicContact CB-CB 4.13Å; K110-H460 HydrophobicContact CB-CB 4.19Å; T431-H460 WeakPolarHBondContact CG2-O 3.35Å; S458-H460 PolarHBondContact O-N 3.2Å; H460-F462 VanDerWaalsContact C-N 3.33Å; H460-I463 HydrophobicContact CB-CG2 4.25Å; H460-S467 WeakPolarHBondContact NE2-CB 3.45Å; H460-S467 PolarHBondContact NE2-OG 3.05Å
461G95.3Very high89.8Confident0 Ų049.6 Ų49.60%029%0.29CS..SBendtrans-67.7-31.217300000113.4H432 W438 S458H432-G461 PolarHBondContact CD2-O 3.47Å; W438-G461 VanDerWaalsContact CZ2-O 3.27Å; W438-G461 WeakPolarHBondContact CZ2-O 3.36Å; W438-G461 PolarHBondContact NE1-O 2.95Å; S458-G461 PolarHBondContact O-N 3.35Å
462F97.4Very high90.2Very high43 Ų4347.8 Ų47.819%0.18928%0.279CS..  trans-125.2107.3179.1-178.4-111.6000110.5K390 L393 R394 W438 F449 H460 P464K390-F462 HydrophobicContact CB-CE1 4.29Å; K390-F462 HydrophobicContact CB-CZ 3.9Å; K390-F462 HydrophobicContact CD-CE1 4.5Å; K390-F462 HydrophobicContact CG-CE1 4.11Å; K390-F462 HydrophobicContact CG-CZ 4.11Å; K390-F462 WeakPolarHBondContact O-CE2 3.47Å; K390-F462 WeakPolarHBondContact O-CZ 3.39Å; L393-F462 HydrophobicContact CB-CE2 4.24Å; L393-F462 HydrophobicContact CB-CZ 4.09Å; R394-F462 HydrophobicContact CB-CD2 4.11Å; R394-F462 HydrophobicContact CB-CE2 3.9Å; R394-F462 HydrophobicContact CG-CD2 4.41Å; W438-F462 HydrophobicContact CH2-CB 4.11Å; W438-F462 HydrophobicContact CH2-CD2 4.46Å; W438-F462 HydrophobicContact CZ2-CB 3.95Å; W438-F462 HydrophobicContact CZ2-CD2 4.48Å; F449-F462 HydrophobicContact CE1-CB 4.28Å; F449-F462 AromaticContact CE1-CD1 3.77Å; F449-F462 HydrophobicContact CE1-CD1 3.77Å; F449-F462 AromaticContact CE1-CD2 3.85Å; F449-F462 HydrophobicContact CE1-CD2 3.85Å; F449-F462 AromaticContact CE1-CE1 3.95Å; F449-F462 HydrophobicContact CE1-CE1 3.95Å; F449-F462 HydrophobicContact CE1-CE2 4.03Å; F449-F462 AromaticContact CE1-CG 3.7Å; F449-F462 HydrophobicContact CE1-CG 3.7Å; F449-F462 HydrophobicContact CE1-CZ 4.04Å; F449-F462 HydrophobicContact CZ-CD1 4.37Å; F449-F462 AromaticContact CZ-CD2 3.63Å; F449-F462 HydrophobicContact CZ-CD2 3.63Å; F449-F462 HydrophobicContact CZ-CE1 4.4Å; F449-F462 AromaticContact CZ-CE2 3.67Å; F449-F462 HydrophobicContact CZ-CE2 3.67Å; F449-F462 AromaticContact CZ-CG 3.98Å; F449-F462 HydrophobicContact CZ-CG 3.98Å; F449-F462 HydrophobicContact CZ-CZ 4.04Å; H460-F462 VanDerWaalsContact C-N 3.33Å; F462-P464 HydrophobicContact CD1-CG 4.36Å; F462-P464 HydrophobicContact CD2-CG 4.37Å; F462-P464 HydrophobicContact CE1-CG 3.75Å; F462-P464 HydrophobicContact CE2-CG 3.76Å; F462-P464 HydrophobicContact CZ-CG 3.44Å; F462-P464 VanDerWaalsContact CZ-CG 3.44Å
463I97.5Very high90.6Very high7 Ų745 Ų454%0.03626%0.261CS..  trans-139.144-170.552.4169.7000114V109 L113 L428 T431 H432 H460 F465 S466V109-I463 HydrophobicContact CG1-CD1 3.66Å; L113-I463 HydrophobicContact CD1-CD1 4.05Å; L428-I463 HydrophobicContact CD2-CB 4.47Å; L428-I463 HydrophobicContact CD2-CD1 3.51Å; L428-I463 HydrophobicContact CD2-CG1 3.78Å; T431-I463 HydrophobicContact CG2-CD1 4.27Å; T431-I463 HydrophobicContact CG2-CG1 4.44Å; H432-I463 PolarHBondContact NE2-N 3.36Å; H460-I463 HydrophobicContact CB-CG2 4.25Å; I463-F465 PolarHBondContact O-N 3.02Å; I463-F465 VanDerWaalsContact O-N 3.13Å; I463-S466 PolarHBondContact O-N 2.92Å
464P97.8Very high91.3Very high14 Ų1442 Ų429%0.09125%0.248CC..THydrogen-bonded Turntrans-62.4-22.4-179.429.2-37.2000113.1L393 F462L393-P464 HydrophobicContact CB-CB 4.08Å; L393-P464 HydrophobicContact CB-CG 4.18Å; L393-P464 HydrophobicContact CD1-CG 4.37Å; F462-P464 HydrophobicContact CD1-CG 4.36Å; F462-P464 HydrophobicContact CD2-CG 4.37Å; F462-P464 HydrophobicContact CE1-CG 3.75Å; F462-P464 HydrophobicContact CE2-CG 3.76Å; F462-P464 HydrophobicContact CZ-CG 3.44Å; F462-P464 VanDerWaalsContact CZ-CG 3.44Å
465F97.9Very high92.2Very high29 Ų2943.2 Ų43.213%0.12725%0.25CS..THydrogen-bonded Turntrans-100.417.5177-63-74.5000113.2L393 I463 C472 Q475 A478 M479L393-F465 HydrophobicContact CD1-CE2 3.91Å; L393-F465 HydrophobicContact CD1-CZ 4.09Å; I463-F465 PolarHBondContact O-N 3.02Å; I463-F465 VanDerWaalsContact O-N 3.13Å; F465-C472 HydrophobicContact CB-CB 3.87Å; F465-C472 HydrophobicContact CD1-CB 3.99Å; F465-C472 HydrophobicContact CG-CB 4.42Å; F465-C472 WeakPolarHBondContact O-CB 3.31Å; F465-C472 PolarHBondContact O-N 3.02Å; F465-Q475 HydrophobicContact CB-CB 4.23Å; F465-Q475 HydrophobicContact CB-CG 4.07Å; F465-Q475 HydrophobicContact CD1-CB 3.92Å; F465-Q475 HydrophobicContact CD1-CG 3.93Å; F465-Q475 HydrophobicContact CD2-CB 4.47Å; F465-Q475 HydrophobicContact CD2-CG 3.62Å; F465-Q475 HydrophobicContact CE1-CB 4.42Å; F465-Q475 HydrophobicContact CE1-CG 4.27Å; F465-Q475 HydrophobicContact CE2-CG 4Å; F465-Q475 HydrophobicContact CG-CB 3.95Å; F465-Q475 HydrophobicContact CG-CG 3.58Å; F465-Q475 HydrophobicContact CZ-CG 4.31Å; F465-A478 HydrophobicContact CE1-CB 3.98Å; F465-A478 HydrophobicContact CZ-CB 4.33Å; F465-M479 HydrophobicContact CE2-CG 4.14Å; F465-M479 HydrophobicContact CE2-SD 3.87Å; F465-M479 HydrophobicContact CZ-CG 4.12Å; F465-M479 HydrophobicContact CZ-SD 3.95Å
466S96.9Very high93.4Very high20 Ų2041.1 Ų41.114%0.1424%0.238CC..  trans56.7-171.4-166.6-175.60000111.2R404 I463R404-S466 PolarHBondContact NH2-OG 3.42Å; I463-S466 PolarHBondContact O-N 2.92Å
467S95.3Very high94.7Very high27 Ų2736.3 Ų36.319%0.18920%0.203CC..  trans-143174.3174.6-172.30000110.6H460H460-S467 WeakPolarHBondContact NE2-CB 3.45Å; H460-S467 PolarHBondContact NE2-OG 3.05Å
468G95Very high95.5Very high17 Ų1734.5 Ų34.518%0.17520%0.198CC..SBendtrans70.8-161.7176.600000114.8L113 R470 N471L113-G468 WeakPolarHBondContact O-CA 3.43Å; G468-R470 PolarHBondContact O-N 2.89Å; G468-R470 VanDerWaalsContact O-N 3.12Å; G468-N471 VanDerWaalsContact O-CB 3.29Å; G468-N471 WeakPolarHBondContact O-CB 3.25Å; G468-N471 PolarHBondContact O-N 3.41Å
469P94.8Very high96.1Very high42 Ų4233.7 Ų33.727%0.27319%0.19SC..THydrogen-bonded Turntrans-58.5-31-173.7-25.734.8000113.4L113 A117 W146L113-P469 WeakPolarHBondContact O-CD 3.37Å; A117-P469 HydrophobicContact CB-CB 4.06Å; W146-P469 HydrophobicContact CH2-CB 4.01Å; W146-P469 VanDerWaalsContact CH2-O 3.23Å; W146-P469 WeakPolarHBondContact CH2-O 3.29Å; W146-P469 WeakPolarHBondContact CZ2-O 3.33Å
470R95.3Very high96.7Very high18 Ų1829.9 Ų29.97%0.06816%0.164CC..THydrogen-bonded Turntrans-97.127-179.5-49.6-60.2-64.4-96.96.7112.5T120 S141 N142 W146 G468T120-R470 HydrophobicContact CG2-CG 3.95Å; S141-R470 PolarHBondContact O-NH1 3.26Å; S141-R470 PolarHBondContact O-NH2 2.8Å; N142-R470 PolarHBondContact OD1-NH1 3.43Å; N142-R470 VanDerWaalsContact OD1-NH1 3.11Å; W146-R470 VanDerWaalsContact CD1-NH2 3.29Å; W146-R470 VanDerWaalsContact CE2-CD 3.42Å; W146-R470 VanDerWaalsContact CE2-NE 3.33Å; W146-R470 VanDerWaalsContact NE1-NE 3.15Å; G468-R470 PolarHBondContact O-N 2.89Å; G468-R470 VanDerWaalsContact O-N 3.12Å
471N96.6Very high96.9Very high53 Ų5329.3 Ų29.328%0.28316%0.161SC..SBendtrans-68165.4174.373.1-14.3000112.3R150 G468 I473R150-N471 PolarHBondContact NH1-O 2.92Å; R150-N471 PolarHBondContact NH1-OD1 3.24Å; R150-N471 PolarHBondContact NH2-OD1 2.91Å; G468-N471 VanDerWaalsContact O-CB 3.29Å; G468-N471 WeakPolarHBondContact O-CB 3.25Å; G468-N471 PolarHBondContact O-N 3.41Å; N471-I473 PolarHBondContact O-N 2.79Å
472C97.8Very high97Very high53 Ų5329.4 Ų29.436%0.35816%0.162SC..  trans-63.6120.6175.8-1740000110.9F465 G474 Q475F465-C472 HydrophobicContact CB-CB 3.87Å; F465-C472 HydrophobicContact CD1-CB 3.99Å; F465-C472 HydrophobicContact CG-CB 4.42Å; F465-C472 WeakPolarHBondContact O-CB 3.31Å; F465-C472 PolarHBondContact O-N 3.02Å; C472-G474 VanDerWaalsContact C-N 3.32Å; C472-G474 PolarHBondContact SG-N 3.37Å; C472-Q475 HydrophobicContact CB-CB 4.42Å
473I96.5Very high97.1Very high29 Ų2930 Ų3015%0.14916%0.163CC..THydrogen-bonded Turntrans-70.6-31.2176.4-162.1175.9000111.9L138 L153 F157 F329 N471 Q475L138-I473 HydrophobicContact CD2-CB 4.48Å; L138-I473 HydrophobicContact CD2-CD1 3.87Å; L138-I473 HydrophobicContact CD2-CG2 4.1Å; L153-I473 HydrophobicContact CB-CD1 4.24Å; F157-I473 HydrophobicContact CD2-CD1 3.78Å; F157-I473 HydrophobicContact CD2-CG1 3.65Å; F157-I473 HydrophobicContact CD2-CG2 4.4Å; F157-I473 HydrophobicContact CE2-CD1 3.96Å; F157-I473 HydrophobicContact CE2-CG1 4.12Å; F157-I473 HydrophobicContact CE2-CG2 4.14Å; F157-I473 HydrophobicContact CG-CG1 4.27Å; F157-I473 HydrophobicContact CZ-CG2 4.48Å; F329-I473 HydrophobicContact CE1-CG2 3.7Å; F329-I473 HydrophobicContact CZ-CG2 3.92Å; N471-I473 PolarHBondContact O-N 2.79Å; I473-Q475 PolarHBondContact O-N 3.2Å
474G96.7Very high97.2Very high14 Ų1429.7 Ų29.714%0.14416%0.161CC..THydrogen-bonded Turntrans-889.8-178.200000115C472 K476 F477 A478C472-G474 VanDerWaalsContact C-N 3.32Å; C472-G474 PolarHBondContact SG-N 3.37Å; G474-K476 VanDerWaalsContact C-N 3.29Å; G474-K476 PolarHBondContact O-N 2.96Å; G474-F477 WeakPolarHBondContact O-CB 3.37Å; G474-F477 PolarHBondContact O-N 3.45Å; G474-F477 VanDerWaalsContact O-N 3.12Å; G474-A478 PolarHBondContact O-N 3.32Å
475Q97.1Very high97.2Very high79 Ų7929 Ų2937%0.36916%0.157SC..Hα-helixtrans-54.3-43.1-174.9174.5176.80.300113.1F465 C472 I473 M479F465-Q475 HydrophobicContact CB-CB 4.23Å; F465-Q475 HydrophobicContact CB-CG 4.07Å; F465-Q475 HydrophobicContact CD1-CB 3.92Å; F465-Q475 HydrophobicContact CD1-CG 3.93Å; F465-Q475 HydrophobicContact CD2-CB 4.47Å; F465-Q475 HydrophobicContact CD2-CG 3.62Å; F465-Q475 HydrophobicContact CE1-CB 4.42Å; F465-Q475 HydrophobicContact CE1-CG 4.27Å; F465-Q475 HydrophobicContact CE2-CG 4Å; F465-Q475 HydrophobicContact CG-CB 3.95Å; F465-Q475 HydrophobicContact CG-CG 3.58Å; F465-Q475 HydrophobicContact CZ-CG 4.31Å; C472-Q475 HydrophobicContact CB-CB 4.42Å; I473-Q475 PolarHBondContact O-N 3.2Å; Q475-M479 WeakPolarHBondContact O-CB 3.25Å; Q475-M479 WeakPolarHBondContact O-CG 3.26Å; Q475-M479 PolarHBondContact O-N 2.91Å
476K96.6Very high97.2Very high128 Ų12827.6 Ų27.656%0.55715%0.151SC*.Hα-helixtrans-69.9-38.4-179.7-67.8-175.6179.6-179.20112.2L162 G474 A480L162-K476 HydrophobicContact CD1-CB 3.49Å; L162-K476 VanDerWaalsContact CD1-CB 3.49Å; G474-K476 VanDerWaalsContact C-N 3.29Å; G474-K476 PolarHBondContact O-N 2.96Å; K476-A480 WeakPolarHBondContact O-CB 3.45Å; K476-A480 PolarHBondContact O-N 2.86Å; K476-A480 VanDerWaalsContact O-N 3.11Å
477F96.9Very high97.3Very high10 Ų1026.7 Ų26.74%0.04414%0.144CC..Hα-helixtrans-59.5-53.2173.3179.6-80.8000110.2F157 L162 Y165 F169 L205 C208 G474 M479 A480 E481F157-F477 HydrophobicContact CD1-CB 4.44Å; L162-F477 HydrophobicContact CD2-CB 3.89Å; L162-F477 HydrophobicContact CD2-CD2 3.83Å; L162-F477 HydrophobicContact CD2-CG 4.36Å; Y165-F477 AromaticContact CD2-CD2 3.81Å; Y165-F477 HydrophobicContact CD2-CD2 3.81Å; Y165-F477 AromaticContact CD2-CE2 3.7Å; Y165-F477 HydrophobicContact CD2-CE2 3.7Å; Y165-F477 HydrophobicContact CE2-CD2 4.26Å; Y165-F477 HydrophobicContact CE2-CE2 4.19Å; Y165-F477 HydrophobicContact CG-CE2 4.42Å; F169-F477 AromaticContact CE1-CE1 3.95Å; F169-F477 HydrophobicContact CE1-CE1 3.95Å; F169-F477 AromaticContact CE1-CE2 3.98Å; F169-F477 HydrophobicContact CE1-CE2 3.98Å; F169-F477 AromaticContact CE1-CZ 3.54Å; F169-F477 HydrophobicContact CE1-CZ 3.54Å; F169-F477 HydrophobicContact CZ-CD1 4.33Å; F169-F477 AromaticContact CZ-CD2 3.98Å; F169-F477 HydrophobicContact CZ-CD2 3.98Å; F169-F477 AromaticContact CZ-CE1 3.98Å; F169-F477 HydrophobicContact CZ-CE1 3.98Å; F169-F477 AromaticContact CZ-CE2 3.6Å; F169-F477 HydrophobicContact CZ-CE2 3.6Å; F169-F477 HydrophobicContact CZ-CG 4.32Å; F169-F477 AromaticContact CZ-CZ 3.6Å; F169-F477 HydrophobicContact CZ-CZ 3.6Å; L205-F477 HydrophobicContact CD1-CE1 4.37Å; L205-F477 HydrophobicContact CD1-CZ 4.22Å; C208-F477 HydrophobicContact CB-CE2 3.78Å; C208-F477 HydrophobicContact CB-CZ 4.16Å; G474-F477 WeakPolarHBondContact O-CB 3.37Å; G474-F477 PolarHBondContact O-N 3.45Å; G474-F477 VanDerWaalsContact O-N 3.12Å; F477-M479 PolarHBondContact O-N 3.38Å; F477-A480 PolarHBondContact O-N 3.12Å; F477-E481 PolarHBondContact O-N 3.05Å
478A98.2Very high97.4Very high8 Ų825.4 Ų25.47%0.06614%0.135CC..Hα-helixtrans-57.2-51.4179.600000111.5T337 F465 G474 A480 E481 L482T337-A478 HydrophobicContact CG2-CB 3.66Å; F465-A478 HydrophobicContact CE1-CB 3.98Å; F465-A478 HydrophobicContact CZ-CB 4.33Å; G474-A478 PolarHBondContact O-N 3.32Å; A478-A480 VanDerWaalsContact C-N 3.25Å; A478-A480 PolarHBondContact O-N 2.96Å; A478-E481 PolarHBondContact O-N 3.46Å; A478-L482 HydrophobicContact CB-CD1 4.3Å; A478-L482 WeakPolarHBondContact O-CB 3.42Å; A478-L482 WeakPolarHBondContact O-CD1 3.45Å; A478-L482 PolarHBondContact O-N 3.24Å
479M98.4Very high97.6Very high22 Ų2224.6 Ų24.611%0.10813%0.127CC..Hα-helixtrans-62.8-30.8-179.2-72.3-59.6-51.300113.5T386 I389 L393 F465 Q475 F477 R483T386-M479 HydrophobicContact CG2-CE 4.41Å; I389-M479 HydrophobicContact CG2-CE 3.82Å; I389-M479 HydrophobicContact CG2-SD 4.24Å; L393-M479 HydrophobicContact CD1-SD 4.03Å; F465-M479 HydrophobicContact CE2-CG 4.14Å; F465-M479 HydrophobicContact CE2-SD 3.87Å; F465-M479 HydrophobicContact CZ-CG 4.12Å; F465-M479 HydrophobicContact CZ-SD 3.95Å; Q475-M479 WeakPolarHBondContact O-CB 3.25Å; Q475-M479 WeakPolarHBondContact O-CG 3.26Å; Q475-M479 PolarHBondContact O-N 2.91Å; F477-M479 PolarHBondContact O-N 3.38Å; M479-R483 WeakPolarHBondContact O-CB 3.34Å; M479-R483 WeakPolarHBondContact O-CD 3.31Å; M479-R483 VanDerWaalsContact O-CG 3.22Å; M479-R483 WeakPolarHBondContact O-CG 3.4Å; M479-R483 PolarHBondContact O-N 2.9Å
480A98.2Very high97.7Very high2 Ų222.6 Ų22.62%0.01711%0.114CC..Hα-helixtrans-69.5-49.5173.300000111.2I166 F169 W376 L379 K476 F477 A478 L482 R483 V484I166-A480 HydrophobicContact CD1-CB 4.1Å; F169-A480 HydrophobicContact CE2-CB 3.98Å; W376-A480 HydrophobicContact CZ3-CB 4.23Å; L379-A480 HydrophobicContact CD1-CB 3.75Å; K476-A480 WeakPolarHBondContact O-CB 3.45Å; K476-A480 PolarHBondContact O-N 2.86Å; K476-A480 VanDerWaalsContact O-N 3.11Å; F477-A480 PolarHBondContact O-N 3.12Å; A478-A480 VanDerWaalsContact C-N 3.25Å; A478-A480 PolarHBondContact O-N 2.96Å; A480-L482 PolarHBondContact O-N 3.13Å; A480-R483 PolarHBondContact O-N 3.45Å; A480-V484 WeakPolarHBondContact O-CG2 3.43Å; A480-V484 PolarHBondContact O-N 3.32Å
481E98.6Very high97.7Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-56.9-50.5176.5-174.2177.3-126.100111.4F169 S204 T337 I341 F477 A478 R483 V484 V485F169-E481 HydrophobicContact CD1-CB 3.86Å; F169-E481 HydrophobicContact CD1-CG 3.71Å; F169-E481 HydrophobicContact CD2-CB 4.49Å; F169-E481 HydrophobicContact CE1-CB 3.6Å; F169-E481 HydrophobicContact CE1-CG 3.75Å; F169-E481 HydrophobicContact CE2-CB 4.25Å; F169-E481 HydrophobicContact CG-CB 4.36Å; F169-E481 HydrophobicContact CG-CG 4.45Å; F169-E481 HydrophobicContact CZ-CB 3.82Å; F169-E481 HydrophobicContact CZ-CG 4.47Å; S204-E481 WeakPolarHBondContact CB-OE1 3.41Å; T337-E481 WeakPolarHBondContact CB-OE2 3.43Å; T337-E481 VanDerWaalsContact CG2-OE2 3.26Å; T337-E481 WeakPolarHBondContact CG2-OE2 3.39Å; T337-E481 PolarHBondContact OG1-OE2 3.37Å; I341-E481 HydrophobicContact CD1-CG 4.48Å; F477-E481 PolarHBondContact O-N 3.05Å; A478-E481 PolarHBondContact O-N 3.46Å; E481-R483 VanDerWaalsContact C-N 3.31Å; E481-R483 PolarHBondContact O-N 3.48Å; E481-V484 PolarHBondContact O-N 2.82Å; E481-V485 HydrophobicContact CG-CG2 4.14Å; E481-V485 WeakPolarHBondContact O-CB 3.5Å; E481-V485 WeakPolarHBondContact O-CG2 3.28Å; E481-V485 PolarHBondContact O-N 2.82Å
482L98.8Very high97.7Very high2 Ų220.6 Ų20.61%0.0110%0.102CC..Hα-helixtrans-56.5-44.1179-88.174.4000111.8T337 A340 I341 I389 L393 A478 A480 V486T337-L482 HydrophobicContact CG2-CD1 3.93Å; A340-L482 HydrophobicContact CB-CD1 4.25Å; A340-L482 HydrophobicContact CB-CD2 3.61Å; A340-L482 HydrophobicContact CB-CG 4.22Å; I341-L482 HydrophobicContact CG1-CD1 4.31Å; I341-L482 HydrophobicContact CG1-CG 3.92Å; I389-L482 HydrophobicContact CD1-CB 4.19Å; I389-L482 HydrophobicContact CG2-CB 4.29Å; I389-L482 HydrophobicContact CG2-CD2 3.5Å; L393-L482 HydrophobicContact CD1-CD2 4.42Å; A478-L482 HydrophobicContact CB-CD1 4.3Å; A478-L482 WeakPolarHBondContact O-CB 3.42Å; A478-L482 WeakPolarHBondContact O-CD1 3.45Å; A478-L482 PolarHBondContact O-N 3.24Å; A480-L482 PolarHBondContact O-N 3.13Å; L482-V486 WeakPolarHBondContact O-CB 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.32Å; L482-V486 PolarHBondContact O-N 3.42Å
483R98.6Very high97.7Very high56 Ų5618 Ų1821%0.2119%0.085CC..Hα-helixtrans-65.7-46.9179.9-77.7170.3179.5163.9-7111.7L379 L382 T386 I389 M479 A480 E481 A487L379-R483 HydrophobicContact CD2-CB 3.9Å; L382-R483 HydrophobicContact CD1-CB 4.43Å; T386-R483 VanDerWaalsContact CG2-NH2 3.3Å; T386-R483 PolarHBondContact OG1-NE 3.44Å; T386-R483 PolarHBondContact OG1-NH2 3.49Å; I389-R483 HydrophobicContact CD1-CB 4.45Å; I389-R483 HydrophobicContact CD1-CG 3.83Å; M479-R483 WeakPolarHBondContact O-CB 3.34Å; M479-R483 WeakPolarHBondContact O-CD 3.31Å; M479-R483 VanDerWaalsContact O-CG 3.22Å; M479-R483 WeakPolarHBondContact O-CG 3.4Å; M479-R483 PolarHBondContact O-N 2.9Å; A480-R483 PolarHBondContact O-N 3.45Å; E481-R483 VanDerWaalsContact C-N 3.31Å; E481-R483 PolarHBondContact O-N 3.48Å; R483-A487 WeakPolarHBondContact O-CB 3.47Å; R483-A487 PolarHBondContact O-N 3.22Å
484V98.6Very high97.7Very high0 Ų020.7 Ų20.70%09%0.093CC..Hα-helixtrans-61.1-52179.9173.20000110.2I166 F169 I374 L379 A480 E481 L488I166-V484 HydrophobicContact CD1-CG2 4.28Å; I166-V484 HydrophobicContact CG2-CG2 4.39Å; F169-V484 HydrophobicContact CB-CB 3.99Å; F169-V484 HydrophobicContact CB-CG1 3.74Å; F169-V484 HydrophobicContact CB-CG2 4.19Å; F169-V484 HydrophobicContact CD2-CG2 4.39Å; I374-V484 HydrophobicContact CB-CG2 4.37Å; I374-V484 HydrophobicContact CD1-CG1 4.46Å; I374-V484 HydrophobicContact CG2-CG2 3.98Å; L379-V484 HydrophobicContact CD2-CG2 3.93Å; A480-V484 WeakPolarHBondContact O-CG2 3.43Å; A480-V484 PolarHBondContact O-N 3.32Å; E481-V484 PolarHBondContact O-N 2.82Å; V484-L488 HydrophobicContact CG1-CD1 3.87Å; V484-L488 WeakPolarHBondContact O-CB 3.36Å; V484-L488 WeakPolarHBondContact O-CG 3.33Å; V484-L488 PolarHBondContact O-N 2.7Å
485V98.7Very high97.8Very high0 Ų020 Ų200%09%0.086CC..Hα-helixtrans-64-51.5-175.3178.30000110.5T173 M176 M200 I341 E481 A487 L488 T489T173-V485 WeakPolarHBondContact OG1-CG2 3.47Å; M176-V485 HydrophobicContact CE-CG1 4.38Å; M200-V485 HydrophobicContact CE-CB 4.25Å; M200-V485 HydrophobicContact CE-CG1 3.66Å; M200-V485 HydrophobicContact CE-CG2 3.54Å; M200-V485 HydrophobicContact SD-CG2 3.95Å; I341-V485 HydrophobicContact CD1-CB 4.07Å; I341-V485 HydrophobicContact CD1-CG1 4.09Å; I341-V485 HydrophobicContact CD1-CG2 4.05Å; I341-V485 HydrophobicContact CG2-CG1 3.83Å; E481-V485 HydrophobicContact CG-CG2 4.14Å; E481-V485 WeakPolarHBondContact O-CB 3.5Å; E481-V485 WeakPolarHBondContact O-CG2 3.28Å; E481-V485 PolarHBondContact O-N 2.82Å; V485-A487 PolarHBondContact O-N 2.93Å; V485-L488 PolarHBondContact O-N 2.99Å; V485-T489 WeakPolarHBondContact O-CB 3.49Å; V485-T489 PolarHBondContact O-N 2.76Å; V485-T489 PolarHBondContact O-OG1 3.32Å
486V98.8Very high97.8Very high0 Ų018.9 Ų18.90%09%0.085CC..Hα-helixtrans-62.4-46.1-178.31730000110.6T344 L345 L348 T385 I389 L482 L488 T489 L490T344-V486 HydrophobicContact CG2-CG1 4.14Å; T344-V486 HydrophobicContact CG2-CG2 3.92Å; L345-V486 HydrophobicContact CD2-CG1 4.33Å; L345-V486 HydrophobicContact CD2-CG2 4.22Å; L348-V486 HydrophobicContact CD1-CG1 3.95Å; T385-V486 HydrophobicContact CG2-CG1 3.94Å; I389-V486 HydrophobicContact CD1-CB 4.44Å; I389-V486 HydrophobicContact CG1-CG2 4.4Å; L482-V486 WeakPolarHBondContact O-CB 3.27Å; L482-V486 WeakPolarHBondContact O-CG2 3.32Å; L482-V486 PolarHBondContact O-N 3.42Å; V486-L488 PolarHBondContact O-N 3.45Å; V486-T489 PolarHBondContact O-N 2.88Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.22Å; V486-L490 WeakPolarHBondContact O-CB 3.47Å; V486-L490 WeakPolarHBondContact O-CG 3.43Å; V486-L490 PolarHBondContact O-N 2.88Å
487A98.3Very high97.7Very high0 Ų015.9 Ų15.90%08%0.078CC..Hα-helixtrans-60-49179.800000112.2V362 I374 L382 R483 V485 L490 L491V362-A487 HydrophobicContact CG1-CB 4.27Å; V362-A487 HydrophobicContact CG2-CB 3.57Å; I374-A487 HydrophobicContact CD1-CB 3.56Å; L382-A487 HydrophobicContact CD1-CB 3.98Å; R483-A487 WeakPolarHBondContact O-CB 3.47Å; R483-A487 PolarHBondContact O-N 3.22Å; V485-A487 PolarHBondContact O-N 2.93Å; A487-L490 CarbonylContact O-C 3.51Å; A487-L490 PolarHBondContact O-N 3.42Å; A487-L491 PolarHBondContact O-N 2.93Å
488L97.6Very high97.4Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-67.4-38.5179.8-67.2178.1000112.6N170 T173 H372 I374 V484 V485 V486 L490 L491 R492N170-L488 WeakPolarHBondContact OD1-CD1 3.39Å; T173-L488 HydrophobicContact CG2-CB 4.01Å; T173-L488 HydrophobicContact CG2-CD1 3.92Å; H372-L488 WeakPolarHBondContact O-CD2 3.31Å; I374-L488 HydrophobicContact CD1-CD2 3.97Å; I374-L488 HydrophobicContact CD1-CG 3.84Å; I374-L488 HydrophobicContact CG1-CD2 4.11Å; I374-L488 HydrophobicContact CG1-CG 4.41Å; V484-L488 HydrophobicContact CG1-CD1 3.87Å; V484-L488 WeakPolarHBondContact O-CB 3.36Å; V484-L488 WeakPolarHBondContact O-CG 3.33Å; V484-L488 PolarHBondContact O-N 2.7Å; V485-L488 PolarHBondContact O-N 2.99Å; V486-L488 PolarHBondContact O-N 3.45Å; L488-L490 VanDerWaalsContact C-N 3.33Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.28Å; L488-L491 VanDerWaalsContact O-N 3.12Å; L488-R492 PolarHBondContact O-N 3.1Å; L488-R492 VanDerWaalsContact O-N 3.14Å
489T98.1Very high96.9Very high0 Ų019.5 Ų19.50%010%0.104CC..Hα-helixtrans-61.3-45.8175.7-650000110.3H177 W180 L345 V485 V486 L491 R492 F493 L495H177-T489 PolarHBondContact CE1-N 3.43Å; H177-T489 WeakPolarHBondContact NE2-CA 3.36Å; H177-T489 PolarHBondContact NE2-OG1 3.47Å; W180-T489 HydrophobicContact CH2-CG2 4.39Å; W180-T489 HydrophobicContact CZ3-CG2 3.77Å; L345-T489 HydrophobicContact CD1-CG2 4.15Å; L345-T489 HydrophobicContact CD2-CG2 3.86Å; V485-T489 WeakPolarHBondContact O-CB 3.49Å; V485-T489 PolarHBondContact O-N 2.76Å; V485-T489 PolarHBondContact O-OG1 3.32Å; V486-T489 PolarHBondContact O-N 2.88Å; T489-L491 PolarHBondContact O-N 2.89Å; T489-R492 PolarHBondContact O-N 2.94Å; T489-F493 PolarHBondContact O-N 3.5Å; T489-L495 HydrophobicContact CG2-CD1 4.08Å; T489-L495 HydrophobicContact CG2-CD2 4.34Å
490L97.6Very high96.4Very high0 Ų019.7 Ų19.70%011%0.106CC..Hα-helixtrans-75.6-1.8175.5-62.9-180000113.8L348 Q355 C358 R359 V486 A487 L488 L495L348-L490 HydrophobicContact CD1-CD1 3.59Å; L348-L490 HydrophobicContact CD1-CD2 4.26Å; L348-L490 HydrophobicContact CD1-CG 4.34Å; Q355-L490 HydrophobicContact CG-CD2 3.53Å; C358-L490 HydrophobicContact CB-CD1 3.44Å; C358-L490 VanDerWaalsContact CB-CD1 3.44Å; R359-L490 WeakPolarHBondContact CB-O 3.48Å; R359-L490 VanDerWaalsContact CG-O 3.28Å; R359-L490 WeakPolarHBondContact CG-O 3.4Å; R359-L490 VanDerWaalsContact NH1-C 3.3Å; R359-L490 PolarHBondContact NH1-O 3.33Å; V486-L490 HydrophobicContact CG1-CD1 3.77Å; V486-L490 HydrophobicContact CG1-CG 4.22Å; V486-L490 WeakPolarHBondContact O-CB 3.47Å; V486-L490 WeakPolarHBondContact O-CG 3.43Å; V486-L490 PolarHBondContact O-N 2.88Å; A487-L490 CarbonylContact O-C 3.51Å; A487-L490 PolarHBondContact O-N 3.42Å; L488-L490 VanDerWaalsContact C-N 3.33Å; L490-L495 HydrophobicContact CD2-CD1 4.15Å
491L95.6Very high95.8Very high2 Ų224 Ų241%0.0113%0.133CC..Hα-helixtrans-86.7-46.6167.7-175.761.9000109V362 M363 M366 H372 A487 L488 T489 F536V362-L491 HydrophobicContact CG1-CB 4.08Å; V362-L491 HydrophobicContact CG1-CD1 4.19Å; V362-L491 HydrophobicContact CG1-CD2 4.21Å; V362-L491 HydrophobicContact CG1-CG 4.4Å; M363-L491 HydrophobicContact CG-CD1 3.73Å; M366-L491 HydrophobicContact CG-CD2 4.17Å; H372-L491 HydrophobicContact CB-CD2 4.21Å; A487-L491 PolarHBondContact O-N 2.93Å; L488-L491 WeakPolarHBondContact O-CB 3.31Å; L488-L491 PolarHBondContact O-N 3.28Å; L488-L491 VanDerWaalsContact O-N 3.12Å; T489-L491 PolarHBondContact O-N 2.89Å; L491-F536 HydrophobicContact CD1-CD1 4.32Å; L491-F536 HydrophobicContact CD1-CE1 3.57Å; L491-F536 HydrophobicContact CD1-CZ 4.03Å; L491-F536 HydrophobicContact CG-CE1 4.34Å; L491-F536 HydrophobicContact CG-CZ 4.32Å; L491-F536 WeakPolarHBondContact O-CZ 3.42Å
492R95.5Very high94.9Very high27 Ų2732.6 Ų32.610%0.10217%0.173CC..Hα-helixtrans-92.4-23.1-168.5-60.7-179.6-168.5160.57.3115.1N174 H177 L488 T489 L531N174-R492 PolarHBondContact OD1-NH1 2.84Å; N174-R492 PolarHBondContact OD1-NH2 2.89Å; H177-R492 PolarHBondContact ND1-NH1 3.37Å; L488-R492 PolarHBondContact O-N 3.1Å; L488-R492 VanDerWaalsContact O-N 3.14Å; T489-R492 PolarHBondContact O-N 2.94Å; R492-L531 WeakPolarHBondContact O-CB 3.43Å; R492-L531 PolarHBondContact O-N 3.45Å
493F97.5Very high93.5Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-128.9145.1-176.1-58.5-82.2000111.3H177 W180 H181 R359 T489 L495 L528 E529 D530H177-F493 HydrophobicContact CB-CE2 3.97Å; H177-F493 HydrophobicContact CB-CZ 4.43Å; H177-F493 AromaticContact CD2-CE2 3.68Å; H177-F493 AromaticContact CG-CE2 3.78Å; W180-F493 HydrophobicContact CB-CE1 4.12Å; W180-F493 HydrophobicContact CB-CE2 4.37Å; W180-F493 HydrophobicContact CB-CZ 3.74Å; W180-F493 AromaticContact CE3-CD2 3.93Å; W180-F493 HydrophobicContact CE3-CD2 3.93Å; W180-F493 AromaticContact CE3-CE2 3.84Å; W180-F493 HydrophobicContact CE3-CE2 3.84Å; W180-F493 HydrophobicContact CE3-CG 4.44Å; W180-F493 HydrophobicContact CE3-CZ 4.27Å; W180-F493 HydrophobicContact CZ3-CD2 4.36Å; H181-F493 AromaticContact CD2-CZ 3.86Å; H181-F493 AromaticContact CE1-CE1 3.74Å; H181-F493 AromaticContact CE1-CZ 3.37Å; H181-F493 WeakPolarHBondContact CE1-CZ 3.44Å; H181-F493 AromaticContact CG-CZ 3.91Å; H181-F493 AromaticContact ND1-CE1 3.75Å; H181-F493 AromaticContact ND1-CZ 3.62Å; H181-F493 AromaticContact NE2-CZ 3.5Å; H181-F493 WeakPolarHBondContact NE2-CZ 3.12Å; R359-F493 PolarHBondContact NH1-O 2.85Å; R359-F493 PolarHBondContact NH2-O 2.81Å; T489-F493 PolarHBondContact O-N 3.5Å; F493-L495 HydrophobicContact CB-CD2 4.01Å; F493-L528 HydrophobicContact CB-CD2 4.4Å; F493-L528 HydrophobicContact CD1-CB 4.43Å; F493-E529 CarbonylContact C-O 3.57Å; F493-E529 VanDerWaalsContact CA-O 3.3Å; F493-E529 WeakPolarHBondContact CA-O 3.4Å; F493-D530 HydrophobicContact CE1-CB 4.45Å
494R98.1Very high91.6Very high84 Ų8435.1 Ų35.132%0.31721%0.211SC..EExtended strand (participates in β ladder)trans-96.5131.7159.6-176.3177.2-58.5112.23.7108.6E529 L531R494-E529 HydrophobicContact CB-CB 4.16Å; R494-E529 WeakPolarHBondContact CD-OE2 3.49Å; R494-E529 IonicContact CZ-OE2 3.97Å; R494-E529 PolarHBondContact N-O 3.09Å; R494-E529 IonicContact NE-OE2 3.13Å; R494-E529 IonicContact NH1-OE1 2.79Å; R494-E529 PolarHBondContact NH1-OE1 3.5Å; R494-E529 IonicContact NH1-OE2 2.76Å; R494-E529 PolarHBondContact NH1-OE2 3.35Å; R494-E529 PolarHBondContact O-N 3.24Å; R494-L531 HydrophobicContact CB-CD1 4.2Å; R494-L531 HydrophobicContact CB-CD2 4.09Å; R494-L531 HydrophobicContact CB-CG 4.33Å
495L97.8Very high89.4Confident0 Ų041 Ų410%025%0.252CS..EExtended strand (participates in β ladder)trans-110.8134.4-173.8-50.6179.9000109.8L345 A349 Q355 T489 L490 F493 L526 Q527 L528L345-L495 HydrophobicContact CB-CD1 3.94Å; L345-L495 HydrophobicContact CD2-CD1 3.85Å; L345-L495 HydrophobicContact CG-CD1 4.34Å; A349-L495 HydrophobicContact CB-CB 3.9Å; Q355-L495 PolarHBondContact NE2-O 2.96Å; T489-L495 HydrophobicContact CG2-CD1 4.08Å; T489-L495 HydrophobicContact CG2-CD2 4.34Å; L490-L495 HydrophobicContact CD2-CD1 4.15Å; F493-L495 HydrophobicContact CB-CD2 4.01Å; L495-L526 HydrophobicContact CD1-CD1 4.26Å; L495-Q527 WeakPolarHBondContact CA-O 3.35Å; L495-L528 HydrophobicContact CD2-CD2 3.24Å
496T97Very high87.1Confident56 Ų5644 Ų4434%0.34428%0.282SS..EExtended strand (participates in β ladder)trans-131.1158.1167.756.60000110.1G498 L526 Q527T496-G498 PolarHBondContact O-N 3.44Å; T496-L526 WeakPolarHBondContact O-CA 3.3Å; T496-Q527 PolarHBondContact N-O 2.88Å; T496-Q527 PolarHBondContact O-N 2.84Å; T496-Q527 VanDerWaalsContact OG1-CB 3.3Å; T496-Q527 WeakPolarHBondContact OG1-CB 3.46Å
497P94.3Very high84.8Confident64 Ų6449.4 Ų49.442%0.41632%0.321SS..EExtended strand (participates in β ladder)trans-59.3128.9178.7-24.135.8000111.4R350R350-P497 HydrophobicContact CG-CG 3.79Å
498G91.3Very high83Confident19 Ų1952.5 Ų52.520%0.19635%0.352CS..  trans-92.9-178.1176.600000112.9N190 T496 W525N190-G498 WeakPolarHBondContact OD1-CA 3.34Å; T496-G498 PolarHBondContact O-N 3.44Å; G498-W525 WeakPolarHBondContact CA-O 3.48Å; G498-W525 PolarHBondContact N-O 2.91Å
499V87.5Confident82.1Confident75 Ų7560.2 Ų60.246%0.45539%0.386SS..  trans-128.2134.2-179.3-178.50000109.2N190 P501N190-V499 PolarHBondContact ND2-O 2.97Å; N190-V499 PolarHBondContact OD1-N 3.44Å; V499-P501 VanDerWaalsContact O-CD 3.29Å; V499-P501 WeakPolarHBondContact O-CD 3.45Å
500N88.3Confident81.8Confident27 Ų2762.3 Ų62.314%0.14440%0.398CS..  trans-68.7118.7170-178.5-14000109.4E502 A503 G522 W525N500-E502 PolarHBondContact O-N 3.31Å; N500-E502 WeakPolarHBondContact OD1-CB 3.41Å; N500-E502 PolarHBondContact OD1-N 3.46Å; N500-A503 HydrophobicContact CB-CB 3.92Å; N500-A503 PolarHBondContact O-N 3.2Å; N500-G522 PolarHBondContact ND2-O 3.19Å; N500-W525 HydrophobicContact CB-CD2 4.47Å; N500-W525 HydrophobicContact CB-CG 4.27Å
501P84.4Confident81.6Confident91 Ų9167 Ų6759%0.59142%0.416SS*.G310 helixtrans-58.4-29.7179.5-23.634.7000114.2V499 W525V499-P501 VanDerWaalsContact O-CD 3.29Å; V499-P501 WeakPolarHBondContact O-CD 3.45Å; P501-W525 VanDerWaalsContact CD-CZ2 3.47Å; P501-W525 HydrophobicContact CG-CH2 3.89Å; P501-W525 HydrophobicContact CG-CZ2 4.45Å; P501-W525 HydrophobicContact CG-CZ3 4.01Å
502E80.3Confident81.6Confident181 Ų18168.2 Ų68.285%0.84642%0.421SS*.G310 helixtrans-81.9-19.8-177.9-59.3-174.3166.800113.2N500 G504N500-E502 PolarHBondContact O-N 3.31Å; N500-E502 WeakPolarHBondContact OD1-CB 3.41Å; N500-E502 PolarHBondContact OD1-N 3.46Å; E502-G504 VanDerWaalsContact C-N 3.29Å; E502-G504 PolarHBondContact O-N 2.91Å
503A70.8Confident81.6Confident70 Ų7069 Ų6958%0.57943%0.427SS*.G310 helixtrans-82-4.4-176.500000113.8N500N500-A503 HydrophobicContact CB-CB 3.92Å; N500-A503 PolarHBondContact O-N 3.2Å
504G57.6Low81.4Confident42 Ų4269.5 Ų69.543%0.43343%0.43SS..  trans69.7165.3-172.400000112.8E502 G506E502-G504 VanDerWaalsContact C-N 3.29Å; E502-G504 PolarHBondContact O-N 2.91Å; G504-G506 PolarHBondContact O-N 3.47Å
505S52Low81.1Confident123 Ų12366.2 Ų66.286%0.8642%0.418SS*.SBendtrans-67.25-176.955.20000115.3S507S505-S507 PolarHBondContact O-N 3Å; S505-S507 VanDerWaalsContact O-N 3.12Å
506G51.2Low80.8Confident62 Ų6267.1 Ų67.164%0.63942%0.423SS*.  trans-76.394.9172.500000109.8G504 G508G504-G506 PolarHBondContact O-N 3.47Å; G506-G508 PolarHBondContact O-N 2.7Å
507S49.2Very low80.7Confident115 Ų11564.5 Ų64.580%0.80441%0.407SS*.  trans-59.773.2178.2650000113S505S505-S507 PolarHBondContact O-N 3Å; S505-S507 VanDerWaalsContact O-N 3.12Å
508G60.9Low80.9Confident64 Ų6461.6 Ų61.666%0.6639%0.388SS*.PPolyproline II helixtrans-62.8135.6164.500000109.1G506 V510G506-G508 PolarHBondContact O-N 2.7Å; G508-V510 PolarHBondContact O-N 2.76Å
509K79.3Confident81.1Confident162 Ų16261.5 Ų61.570%0.70438%0.381SS*.PPolyproline II helixtrans-51.9136.4165.8-175.4-179.5179-174.60108.2R511K509-R511 WeakPolarHBondContact O-CG 3.3Å; K509-R511 PolarHBondContact O-N 2.87Å
510V90.8Very high81.5Confident44 Ų4458.3 Ų58.327%0.26736%0.363SS..PPolyproline II helixtrans-49.4126.5175172.50000109.7W343 Y346 G508 A520 L524W343-V510 HydrophobicContact CH2-CG1 3.8Å; W343-V510 HydrophobicContact CZ3-CG1 4.08Å; Y346-V510 HydrophobicContact CD2-CG2 4.47Å; Y346-V510 HydrophobicContact CE2-CB 4.26Å; Y346-V510 HydrophobicContact CE2-CG2 3.5Å; Y346-V510 WeakPolarHBondContact OH-CB 3.29Å; Y346-V510 WeakPolarHBondContact OH-CG2 3.39Å; G508-V510 PolarHBondContact O-N 2.76Å; V510-A520 HydrophobicContact CG1-CB 3.92Å; V510-L524 HydrophobicContact CG1-CD1 3.64Å; V510-L524 HydrophobicContact CG2-CD1 4.17Å
511R93.6Very high81.7Confident98 Ų9860.2 Ų60.237%0.3737%0.371SS..PPolyproline II helixtrans-99.6125.2-179-66.6170.855.795.113.5108.9E73 E74 K509 A520 E521E73-R511 HydrophobicContact CB-CB 4.18Å; E73-R511 HydrophobicContact CG-CB 4.47Å; E74-R511 VanDerWaalsContact CD-NH2 3.29Å; E74-R511 IonicContact OE1-CZ 2.65Å; E74-R511 IonicContact OE1-NH1 3.75Å; E74-R511 PolarHBondContact OE1-NH1 2.86Å; E74-R511 IonicContact OE1-NH2 3.33Å; E74-R511 PolarHBondContact OE1-NH2 3.41Å; E74-R511 IonicContact OE2-NH2 2.81Å; E74-R511 PolarHBondContact OE2-NH2 3.43Å; K509-R511 WeakPolarHBondContact O-CG 3.3Å; K509-R511 PolarHBondContact O-N 2.87Å; R511-A520 WeakPolarHBondContact O-CA 3.22Å; R511-E521 HydrophobicContact CB-CB 4.14Å; R511-E521 HydrophobicContact CB-CG 4.14Å; R511-E521 IonicContact CZ-OE2 3.82Å; R511-E521 IonicContact NE-OE1 2.73Å; R511-E521 IonicContact NE-OE2 3.2Å; R511-E521 PolarHBondContact NE-OE2 3.09Å; R511-E521 IonicContact NH2-OE1 3.58Å; R511-E521 PolarHBondContact NH2-OE1 2.86Å; R511-E521 IonicContact NH2-OE2 2.8Å; R511-E521 PolarHBondContact NH2-OE2 3.35Å; R511-E521 PolarHBondContact O-N 3.01Å
512R95.6Very high81.9Confident28 Ų2858.2 Ų58.211%0.10637%0.366CS..EExtended strand (participates in β ladder)trans-77.1140.7-179.6-63.9165-70.8175.34.6109.6E73 L76 W343 Y429 P514 L518E73-R512 PolarHBondContact N-O 3.18Å; E73-R512 IonicContact OE1-CZ 3.1Å; E73-R512 IonicContact OE1-NE 3.53Å; E73-R512 PolarHBondContact OE1-NE 3.28Å; E73-R512 IonicContact OE1-NH2 3.24Å; E73-R512 PolarHBondContact OE1-NH2 3.24Å; E73-R512 WeakPolarHBondContact OE2-CB 3.41Å; E73-R512 WeakPolarHBondContact OE2-CG 3.46Å; E73-R512 IonicContact OE2-CZ 3.96Å; E73-R512 PolarHBondContact OE2-N 2.76Å; E73-R512 IonicContact OE2-NE 2.78Å; E73-R512 PolarHBondContact OE2-NE 2.98Å; E73-R512 IonicContact OE2-NH2 3.93Å; L76-R512 HydrophobicContact CD1-CB 3.74Å; L76-R512 HydrophobicContact CD1-CG 4.42Å; W343-R512 HydrophobicContact CH2-CG 3.66Å; W343-R512 HydrophobicContact CZ2-CG 3.93Å; Y429-R512 PolarHBondContact OH-NH1 3.11Å; R512-P514 WeakPolarHBondContact O-CD 3.27Å; R512-L518 HydrophobicContact CB-CD1 4.14Å
513L95.2Very high82.5Confident45 Ų4550.5 Ų50.524%0.23634%0.336CS..EExtended strand (participates in β ladder)trans-117.296.8177.7-175.965.1000109.6Q515 R519 E521L513-Q515 HydrophobicContact CD2-CG 4.21Å; L513-Q515 HydrophobicContact CG-CG 4.1Å; L513-Q515 PolarHBondContact O-N 2.93Å; L513-R519 HydrophobicContact CB-CB 4.35Å; L513-R519 PolarHBondContact N-O 2.85Å; L513-R519 PolarHBondContact O-N 2.85Å; L513-E521 HydrophobicContact CB-CG 4.05Å; L513-E521 HydrophobicContact CD1-CG 4.17Å
514P94.1Very high83.6Confident9 Ų947.2 Ų47.26%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-72.294.2176.9-13.928000112S71 L76 Q400 R512 L518S71-P514 WeakPolarHBondContact CB-O 3.33Å; S71-P514 PolarHBondContact OG-O 3.41Å; L76-P514 HydrophobicContact CD1-CG 3.83Å; L76-P514 HydrophobicContact CD2-CG 3.85Å; L76-P514 HydrophobicContact CG-CG 3.61Å; Q400-P514 HydrophobicContact CG-CB 4.41Å; R512-P514 WeakPolarHBondContact O-CD 3.27Å; P514-L518 HydrophobicContact CB-CD1 4.49Å; P514-L518 HydrophobicContact CG-CD1 4.44Å
515Q91.1Very high85.3Confident15 Ų1547.8 Ų47.87%0.0730%0.298CS..SBendtrans-95.2-146.8169.3-68.4174.9-24.100110.7D232 I235 L513 V517 R519D232-Q515 PolarHBondContact OD1-NE2 3.04Å; I235-Q515 HydrophobicContact CG1-CB 4.4Å; L513-Q515 HydrophobicContact CD2-CG 4.21Å; L513-Q515 HydrophobicContact CG-CG 4.1Å; L513-Q515 PolarHBondContact O-N 2.93Å; Q515-V517 WeakPolarHBondContact CB-O 3.36Å; Q515-V517 PolarHBondContact N-O 3.17Å; Q515-R519 VanDerWaalsContact OE1-CD 3.22Å
516L92.7Very high87.4Confident20 Ų2041.9 Ų41.911%0.10526%0.257CS..SBendtrans-63.4-33.2164.8-66.3-177.6000111.3L130 W133 L234 F331L130-L516 HydrophobicContact CD2-CD1 4.16Å; L130-L516 HydrophobicContact CD2-CD2 4.48Å; W133-L516 HydrophobicContact CH2-CD1 4.45Å; W133-L516 HydrophobicContact CZ3-CD1 3.7Å; L234-L516 HydrophobicContact CD1-CD1 3.86Å; F331-L516 HydrophobicContact CE2-CD1 4.47Å; F331-L516 HydrophobicContact CZ-CB 4.05Å; F331-L516 HydrophobicContact CZ-CD1 3.9Å
517V95.7Very high89.6Confident1 Ų142.9 Ų42.91%0.00624%0.244CC..SBendtrans-121.7156.9167.3-580000110.7D335 T336 P398 Q515 R519D335-V517 HydrophobicContact CB-CG1 4.34Å; D335-V517 WeakPolarHBondContact OD2-CG2 3.45Å; T336-V517 HydrophobicContact CG2-CG1 3.8Å; P398-V517 CarbonylContact O-C 3.47Å; P398-V517 WeakPolarHBondContact O-CA 3.4Å; Q515-V517 WeakPolarHBondContact CB-O 3.36Å; Q515-V517 PolarHBondContact N-O 3.17Å; V517-R519 HydrophobicContact CG2-CG 4.3Å; V517-R519 PolarHBondContact O-N 2.94Å
518L97.4Very high91.8Very high2 Ų237.7 Ų37.71%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-72.5119.1179.6-163.158.3000111.1L76 S339 W343 H396 P398 Q400 R512 P514L76-L518 HydrophobicContact CD1-CD1 4.49Å; S339-L518 WeakPolarHBondContact CB-O 3.47Å; S339-L518 PolarHBondContact OG-O 3.32Å; W343-L518 HydrophobicContact CZ2-CD2 4.35Å; W343-L518 HydrophobicContact CZ2-CG 4.19Å; W343-L518 PolarHBondContact NE1-O 2.9Å; H396-L518 HydrophobicContact CB-CD2 3.76Å; P398-L518 PolarHBondContact O-N 2.94Å; Q400-L518 HydrophobicContact CG-CD1 4.39Å; Q400-L518 VanDerWaalsContact NE2-CB 3.3Å; R512-L518 HydrophobicContact CB-CD1 4.14Å; P514-L518 HydrophobicContact CB-CD1 4.49Å; P514-L518 HydrophobicContact CG-CD1 4.44Å
519R95.9Very high93.5Very high18 Ų1839.3 Ų39.37%0.06820%0.198CC..EExtended strand (participates in β ladder)trans-117.9-174.7171.9-63.7-161.8173.9-116-4111F194 M228 D335 W343 L513 Q515 V517F194-R519 HydrophobicContact CD1-CG 4.49Å; F194-R519 HydrophobicContact CE1-CG 4.02Å; F194-R519 HydrophobicContact CE2-CB 4.46Å; F194-R519 HydrophobicContact CZ-CB 4.23Å; F194-R519 HydrophobicContact CZ-CG 4.19Å; M228-R519 VanDerWaalsContact CE-NH1 3.25Å; D335-R519 IonicContact OD1-CZ 3.49Å; D335-R519 IonicContact OD1-NH2 2.72Å; D335-R519 PolarHBondContact OD1-NH2 3.41Å; W343-R519 WeakPolarHBondContact CZ2-O 3.1Å; L513-R519 HydrophobicContact CB-CB 4.35Å; L513-R519 PolarHBondContact N-O 2.85Å; L513-R519 PolarHBondContact O-N 2.85Å; Q515-R519 VanDerWaalsContact OE1-CD 3.22Å; V517-R519 HydrophobicContact CG2-CG 4.3Å; V517-R519 PolarHBondContact O-N 2.94Å
520A94.9Very high94.2Very high7 Ų733.6 Ų33.66%0.05818%0.175CC..EExtended strand (participates in β ladder)trans-118.7141.4172.900000110.3F194 W343 V510 R511 G522 G523 L524F194-A520 HydrophobicContact CE2-CB 4.45Å; W343-A520 HydrophobicContact CH2-CB 4.22Å; W343-A520 HydrophobicContact CZ2-CB 4.21Å; V510-A520 HydrophobicContact CG1-CB 3.92Å; R511-A520 WeakPolarHBondContact O-CA 3.22Å; A520-G522 PolarHBondContact O-N 2.67Å; A520-G523 WeakPolarHBondContact CB-O 3.27Å; A520-G523 PolarHBondContact O-N 2.89Å; A520-G523 VanDerWaalsContact O-N 3.16Å; A520-L524 HydrophobicContact CB-CB 4.21Å; A520-L524 HydrophobicContact CB-CD1 4.18Å
521E92.3Very high94.3Very high67 Ų6732.5 Ų32.531%0.31317%0.168SC..THydrogen-bonded Turntrans-64126.4173.1-63.5179.4-170.200109.5R511 L513 G523R511-E521 HydrophobicContact CB-CB 4.14Å; R511-E521 HydrophobicContact CB-CG 4.14Å; R511-E521 IonicContact CZ-OE2 3.82Å; R511-E521 IonicContact NE-OE1 2.73Å; R511-E521 IonicContact NE-OE2 3.2Å; R511-E521 PolarHBondContact NE-OE2 3.09Å; R511-E521 IonicContact NH2-OE1 3.58Å; R511-E521 PolarHBondContact NH2-OE1 2.86Å; R511-E521 IonicContact NH2-OE2 2.8Å; R511-E521 PolarHBondContact NH2-OE2 3.35Å; R511-E521 PolarHBondContact O-N 3.01Å; L513-E521 HydrophobicContact CB-CG 4.05Å; L513-E521 HydrophobicContact CD1-CG 4.17Å; E521-G523 PolarHBondContact O-N 3.12Å
522G89.8Confident93Very high49 Ų4932.9 Ų32.951%0.50518%0.177SC..THydrogen-bonded Turntrans70.414.9-176.200000114.5N500 A520 W525N500-G522 PolarHBondContact ND2-O 3.19Å; A520-G522 PolarHBondContact O-N 2.67Å; G522-W525 PolarHBondContact O-NE1 2.93Å
523G91.8Very high91.2Very high20 Ų2038.3 Ų38.321%0.20620%0.204CC..  trans83.1173.4-18000000114E192 A520 E521E192-G523 WeakPolarHBondContact OE1-CA 3.13Å; A520-G523 WeakPolarHBondContact CB-O 3.27Å; A520-G523 PolarHBondContact O-N 2.89Å; A520-G523 VanDerWaalsContact O-N 3.16Å; E521-G523 PolarHBondContact O-N 3.12Å
524L93.9Very high88.9Confident0 Ų040.9 Ų40.90%023%0.226CC..  trans-114.497.2179.7-165.467.1000109.2E192 M193 F194 C342 W343 Y346 V510 A520E192-L524 PolarHBondContact OE1-N 3.25Å; M193-L524 VanDerWaalsContact CB-O 3.29Å; M193-L524 WeakPolarHBondContact CB-O 3.39Å; M193-L524 VanDerWaalsContact CG-O 3.22Å; M193-L524 WeakPolarHBondContact CG-O 3.43Å; M193-L524 PolarHBondContact N-O 3.42Å; F194-L524 HydrophobicContact CD2-CB 3.86Å; F194-L524 HydrophobicContact CE2-CB 3.8Å; F194-L524 HydrophobicContact CE2-CD2 4.27Å; C342-L524 HydrophobicContact CB-CD2 3.86Å; C342-L524 VanDerWaalsContact O-CD2 3.31Å; C342-L524 WeakPolarHBondContact O-CD2 3.29Å; W343-L524 HydrophobicContact CD2-CD2 4.36Å; W343-L524 HydrophobicContact CE3-CD1 4.46Å; W343-L524 HydrophobicContact CE3-CD2 4.25Å; W343-L524 HydrophobicContact CH2-CD1 4.29Å; W343-L524 HydrophobicContact CZ3-CD1 4.02Å; Y346-L524 HydrophobicContact CD1-CD1 4.32Å; Y346-L524 HydrophobicContact CD2-CD1 3.65Å; Y346-L524 HydrophobicContact CD2-CG 4.23Å; Y346-L524 HydrophobicContact CE2-CD1 4.11Å; Y346-L524 HydrophobicContact CG-CD1 3.76Å; Y346-L524 HydrophobicContact CG-CD2 4.19Å; Y346-L524 HydrophobicContact CG-CG 4.23Å; V510-L524 HydrophobicContact CG1-CD1 3.64Å; V510-L524 HydrophobicContact CG2-CD1 4.17Å; A520-L524 HydrophobicContact CB-CB 4.21Å; A520-L524 HydrophobicContact CB-CD1 4.18Å
525W95.1Very high86.4Confident54 Ų5444.2 Ų44.221%0.20525%0.249CC..EExtended strand (participates in β ladder)trans-89.2134.1-172.6-66.577.1000111.8I191 E192 G498 N500 P501 G522I191-W525 VanDerWaalsContact C-CE3 3.48Å; I191-W525 VanDerWaalsContact O-CA 3.29Å; I191-W525 WeakPolarHBondContact O-CA 3.42Å; E192-W525 HydrophobicContact CB-CD2 4.03Å; E192-W525 HydrophobicContact CB-CE3 4.23Å; E192-W525 HydrophobicContact CB-CH2 4.09Å; E192-W525 HydrophobicContact CB-CZ2 3.86Å; E192-W525 HydrophobicContact CB-CZ3 4.26Å; E192-W525 HydrophobicContact CG-CD2 4.33Å; E192-W525 HydrophobicContact CG-CZ2 4.11Å; G498-W525 WeakPolarHBondContact CA-O 3.48Å; G498-W525 PolarHBondContact N-O 2.91Å; N500-W525 HydrophobicContact CB-CD2 4.47Å; N500-W525 HydrophobicContact CB-CG 4.27Å; P501-W525 VanDerWaalsContact CD-CZ2 3.47Å; P501-W525 HydrophobicContact CG-CH2 3.89Å; P501-W525 HydrophobicContact CG-CZ2 4.45Å; P501-W525 HydrophobicContact CG-CZ3 4.01Å; G522-W525 PolarHBondContact O-NE1 2.93Å
526L95.3Very high84.3Confident0 Ų046.5 Ų46.50%026%0.259CS..EExtended strand (participates in β ladder)trans-128.6145.6173.2-63.9-177000110.6N190 I191 M193 L345 Y346 A349 L495 T496N190-L526 WeakPolarHBondContact CA-O 3.5Å; I191-L526 PolarHBondContact N-O 3.12Å; I191-L526 PolarHBondContact O-N 3.4Å; M193-L526 HydrophobicContact CE-CD1 4.04Å; M193-L526 HydrophobicContact CG-CB 4.01Å; M193-L526 HydrophobicContact CG-CD1 3.64Å; M193-L526 HydrophobicContact CG-CG 3.64Å; M193-L526 HydrophobicContact SD-CB 4.01Å; M193-L526 HydrophobicContact SD-CD1 3.81Å; M193-L526 HydrophobicContact SD-CG 4.12Å; L345-L526 HydrophobicContact CB-CD1 3.96Å; Y346-L526 HydrophobicContact CD2-CD2 4.27Å; A349-L526 HydrophobicContact CB-CD2 3.66Å; L495-L526 HydrophobicContact CD1-CD1 4.26Å; T496-L526 WeakPolarHBondContact O-CA 3.3Å
527Q96.4Very high81.8Confident82 Ų8247.9 Ų47.938%0.38328%0.279SS..EExtended strand (participates in β ladder)trans-91.6128.4166.1-79.4-178.28.800109.7T189 N190 L495 T496T189-Q527 CarbonylContact O-C 3.26Å; T189-Q527 WeakPolarHBondContact O-CA 3.2Å; N190-Q527 HydrophobicContact CB-CG 4.22Å; L495-Q527 WeakPolarHBondContact CA-O 3.35Å; T496-Q527 PolarHBondContact N-O 2.88Å; T496-Q527 PolarHBondContact O-N 2.84Å; T496-Q527 VanDerWaalsContact OG1-CB 3.3Å; T496-Q527 WeakPolarHBondContact OG1-CB 3.46Å
528L96.8Very high78.7Confident7 Ų755.7 Ų55.74%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-100.3129.8177.6-60.8179.9000110.8W180 V184 T189 I191 F493 L495W180-L528 HydrophobicContact CB-CD1 3.88Å; W180-L528 HydrophobicContact CD2-CD1 3.8Å; W180-L528 HydrophobicContact CE3-CD1 3.92Å; W180-L528 HydrophobicContact CE3-CD2 4.16Å; W180-L528 HydrophobicContact CG-CD1 3.8Å; W180-L528 HydrophobicContact CZ3-CD2 4.3Å; V184-L528 HydrophobicContact CG2-CB 3.83Å; V184-L528 HydrophobicContact CG2-CD1 4.23Å; T189-L528 WeakPolarHBondContact CB-O 3.44Å; T189-L528 PolarHBondContact O-N 2.91Å; I191-L528 HydrophobicContact CD1-CD1 3.43Å; I191-L528 VanDerWaalsContact CD1-CD1 3.43Å; I191-L528 HydrophobicContact CD1-CD2 4.33Å; I191-L528 HydrophobicContact CD1-CG 3.96Å; I191-L528 HydrophobicContact CG1-CD1 3.92Å; I191-L528 HydrophobicContact CG1-CG 4.03Å; I191-L528 HydrophobicContact CG2-CD1 4.49Å; F493-L528 HydrophobicContact CB-CD2 4.4Å; F493-L528 HydrophobicContact CD1-CB 4.43Å; L495-L528 HydrophobicContact CD2-CD2 3.24Å
529E96.3Very high75.7Confident97 Ų9769.4 Ų69.445%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-111.9122.5161.5178-167.9170.600108F493 R494 L531F493-E529 CarbonylContact C-O 3.57Å; F493-E529 VanDerWaalsContact CA-O 3.3Å; F493-E529 WeakPolarHBondContact CA-O 3.4Å; R494-E529 HydrophobicContact CB-CB 4.16Å; R494-E529 WeakPolarHBondContact CD-OE2 3.49Å; R494-E529 IonicContact CZ-OE2 3.97Å; R494-E529 PolarHBondContact N-O 3.09Å; R494-E529 IonicContact NE-OE2 3.13Å; R494-E529 IonicContact NH1-OE1 2.79Å; R494-E529 PolarHBondContact NH1-OE1 3.5Å; R494-E529 IonicContact NH1-OE2 2.76Å; R494-E529 PolarHBondContact NH1-OE2 3.35Å; R494-E529 PolarHBondContact O-N 3.24Å; E529-L531 HydrophobicContact CG-CD2 4.46Å
530D94.5Very high74.7Confident43 Ų4372 Ų7223%0.2340%0.395CS..EExtended strand (participates in β ladder)trans-73.6126.2177-166-11.6000110.2H181 V184 F493H181-D530 IonicContact CE1-OD1 3.43Å; H181-D530 PolarHBondContact CE1-OD1 3.48Å; H181-D530 IonicContact CE1-OD2 3.98Å; H181-D530 IonicContact CG-OD2 2.81Å; H181-D530 IonicContact ND1-OD1 3.96Å; H181-D530 PolarHBondContact ND1-OD1 3.33Å; H181-D530 VanDerWaalsContact ND1-OD1 3.16Å; H181-D530 IonicContact ND1-OD2 3.59Å; H181-D530 PolarHBondContact ND1-OD2 2.96Å; V184-D530 HydrophobicContact CG1-CB 3.88Å; F493-D530 HydrophobicContact CE1-CB 4.45Å
531L91.3Very high73.6Confident20 Ų2075.4 Ų75.411%0.10541%0.413CS..  trans-100.990.9176-55.4178.7000107.4R359 R492 R494 E529 E533R359-L531 VanDerWaalsContact CZ-CD1 3.46Å; R492-L531 WeakPolarHBondContact O-CB 3.43Å; R492-L531 PolarHBondContact O-N 3.45Å; R494-L531 HydrophobicContact CB-CD1 4.2Å; R494-L531 HydrophobicContact CB-CD2 4.09Å; R494-L531 HydrophobicContact CB-CG 4.33Å; E529-L531 HydrophobicContact CG-CD2 4.46Å; L531-E533 PolarHBondContact O-N 3.37Å
532N67.6Low72.6Confident106 Ų10675.9 Ų75.957%0.56742%0.419SS*.  trans-43.4138.4179.7-77.4-33.4000112.4S534 S535N532-S534 PolarHBondContact O-N 3.02Å; N532-S535 PolarHBondContact O-N 3.45Å; N532-S535 PolarHBondContact O-OG 2.99Å
533E57.3Low71.6Confident142 Ų14277.5 Ų77.566%0.66441%0.414SS*.G310 helixtrans-56.4-20.8176.9-71.8-173.4156.300113.3H372 L531 S535 F536H372-E533 IonicContact ND1-OE1 3.77Å; L531-E533 PolarHBondContact O-N 3.37Å; E533-S535 PolarHBondContact O-N 3.38Å; E533-F536 WeakPolarHBondContact O-CD2 3.44Å; E533-F536 PolarHBondContact O-N 3.36Å
534S46.4Very low70.3Confident100 Ų10081.1 Ų81.170%0.69943%0.427SS*.G310 helixtrans-68.4-9.517754.50000115.1N532N532-S534 PolarHBondContact O-N 3.02Å
535S41.1Very low68.8Low79 Ų7986.5 Ų86.555%0.55246%0.455SS*.G310 helixtrans-88.6-7.1176.660.50000114.2N532 E533N532-S535 PolarHBondContact O-N 3.45Å; N532-S535 PolarHBondContact O-OG 2.99Å; E533-S535 PolarHBondContact O-N 3.38Å
536F48.5Very low66.9Low62 Ų6288.8 Ų88.827%0.27247%0.473SS..SBendtrans-92.8-2.5-180-59.4-77.5000114.2M363 L491 E533M363-F536 HydrophobicContact CE-CD1 3.94Å; M363-F536 HydrophobicContact CE-CE1 4.13Å; M363-F536 HydrophobicContact CG-CD1 4.23Å; M363-F536 HydrophobicContact CG-CE1 3.93Å; M363-F536 HydrophobicContact SD-CD1 4.4Å; M363-F536 HydrophobicContact SD-CE1 4.02Å; L491-F536 HydrophobicContact CD1-CD1 4.32Å; L491-F536 HydrophobicContact CD1-CE1 3.57Å; L491-F536 HydrophobicContact CD1-CZ 4.03Å; L491-F536 HydrophobicContact CG-CE1 4.34Å; L491-F536 HydrophobicContact CG-CZ 4.32Å; L491-F536 WeakPolarHBondContact O-CZ 3.42Å; E533-F536 WeakPolarHBondContact O-CD2 3.44Å; E533-F536 PolarHBondContact O-N 3.36Å
537G39.7Very low64.7Low50 Ų5095.6 Ų95.652%0.51551%0.509SS..SBendtrans-137.877.8-178.700000111.8
538N31Very low62Low165 Ų16596.8 Ų96.888%0.88252%0.52SS*.  trans171.485.5148.8-91.5-25.3000109.3
539K34.2Very low58.9Low290 Ų290104.9 Ų104.9100%1.26156%0.564SS**  trans-1470141-90.7-165.6-178.5173.60109.6

Retrieved 539 of 539 residues in 1251.6 ms (Link to these results)

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