A0A087YP61_POEFO Loading...

Arachidonate--CoA ligase

AlphaFold DB , UniProt , Accession A0A087YP61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 643 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
1M51.4Low74.6Confident206 Ų20689.5 Ų89.5100%1.01548%0.483SS*.  0-51.50-78.1-161-79.200112.8R3 L4 A5M1-R3 PolarHBondContact O-N 3.15Å; M1-L4 PolarHBondContact O-N 3.05Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-A5 PolarHBondContact O-N 2.81Å
2M59Low75.8Confident158 Ų15891.8 Ų91.878%0.77849%0.485SS*.Hα-helixtrans-55-44.3-178.9-155.6169.681.700114.1L4 A5 C6M2-L4 PolarHBondContact O-N 2.93Å; M2-A5 PolarHBondContact O-N 2.8Å; M2-C6 PolarHBondContact O-N 3.02Å; M2-C6 PolarHBondContact O-SG 3.19Å
3R71.4Confident76.8Confident111 Ų11189.2 Ų89.242%0.41948%0.475SS..Hα-helixtrans-65.6-37.6177.5-64.3-177.8-172166-5114M1 C6 C7 S36 G37M1-R3 PolarHBondContact O-N 3.15Å; R3-C6 PolarHBondContact O-N 2.94Å; R3-C7 WeakPolarHBondContact O-CB 3.47Å; R3-C7 PolarHBondContact O-N 3.13Å; R3-C7 PolarHBondContact O-SG 3.12Å; R3-S36 PolarHBondContact NE-O 2.87Å; R3-S36 PolarHBondContact NH1-O 3.13Å; R3-S36 PolarHBondContact NH2-O 3.22Å; R3-G37 PolarHBondContact NH1-O 3.38Å
4L65.9Low77.7Confident99 Ų9985 Ų8552%0.51845%0.452SS..Hα-helixtrans-67-43.4175.4-105.8129.5000110.4M1 M2 C6 C7 T8M1-L4 PolarHBondContact O-N 3.05Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M2-L4 PolarHBondContact O-N 2.93Å; L4-C6 VanDerWaalsContact C-N 3.34Å; L4-C6 PolarHBondContact O-N 2.86Å; L4-C7 PolarHBondContact O-N 3.38Å; L4-C7 VanDerWaalsContact O-N 3.15Å; L4-T8 PolarHBondContact O-N 3.43Å; L4-T8 PolarHBondContact O-OG1 3.47Å
5A72.8Confident78.6Confident55 Ų5584.7 Ų84.746%0.45544%0.442SS..Hα-helixtrans-59.2-44.3172.800000111.6M1 M2 C7 T8 V9M1-A5 PolarHBondContact O-N 2.81Å; M2-A5 PolarHBondContact O-N 2.8Å; A5-C7 VanDerWaalsContact C-N 3.34Å; A5-C7 PolarHBondContact O-N 3.46Å; A5-T8 PolarHBondContact O-N 2.96Å; A5-V9 VanDerWaalsContact O-CG2 3.31Å; A5-V9 WeakPolarHBondContact O-CG2 3.41Å; A5-V9 PolarHBondContact O-N 3.15Å
6C77.8Confident79.1Confident57 Ų5786.9 Ų86.939%0.38545%0.454SS..Hα-helixtrans-61.9-39.2173.9-63.70000112.4M2 R3 L4 V9 L10 F32M2-C6 PolarHBondContact O-N 3.02Å; M2-C6 PolarHBondContact O-SG 3.19Å; R3-C6 PolarHBondContact O-N 2.94Å; L4-C6 VanDerWaalsContact C-N 3.34Å; L4-C6 PolarHBondContact O-N 2.86Å; C6-V9 PolarHBondContact O-N 2.93Å; C6-L10 WeakPolarHBondContact O-CB 3.13Å; C6-L10 PolarHBondContact O-N 3.27Å; C6-F32 HydrophobicContact CB-CE1 3.86Å; C6-F32 HydrophobicContact CB-CZ 4.16Å
7C82.1Confident79.6Confident11 Ų1188 Ų887%0.07447%0.465CS..Hα-helixtrans-67.6-37.2175.7-68.90000112.4R3 L4 A5 L10 L11 I29R3-C7 WeakPolarHBondContact O-CB 3.47Å; R3-C7 PolarHBondContact O-N 3.13Å; R3-C7 PolarHBondContact O-SG 3.12Å; L4-C7 PolarHBondContact O-N 3.38Å; L4-C7 VanDerWaalsContact O-N 3.15Å; A5-C7 VanDerWaalsContact C-N 3.34Å; A5-C7 PolarHBondContact O-N 3.46Å; C7-L10 PolarHBondContact O-N 3.03Å; C7-L11 VanDerWaalsContact O-CB 3.3Å; C7-L11 WeakPolarHBondContact O-CB 3.34Å; C7-L11 PolarHBondContact O-N 3.12Å; C7-I29 HydrophobicContact CB-CG2 3.9Å
8T80.4Confident80.3Confident89 Ų8987.9 Ų87.955%0.54647%0.468SS..Hα-helixtrans-68.4-41.8175.8-49.40000111.3L4 A5 L11 F12L4-T8 PolarHBondContact O-N 3.43Å; L4-T8 PolarHBondContact O-OG1 3.47Å; A5-T8 PolarHBondContact O-N 2.96Å; T8-L11 PolarHBondContact O-N 2.82Å; T8-F12 WeakPolarHBondContact O-CB 3.42Å; T8-F12 PolarHBondContact O-N 2.97Å
9V84.3Confident80.9Confident93 Ų9385.9 Ų85.956%0.56447%0.471SS*.Hα-helixtrans-62.9-44.6172.9171.70000110.2A5 C6 L11 F12 V13A5-V9 VanDerWaalsContact O-CG2 3.31Å; A5-V9 WeakPolarHBondContact O-CG2 3.41Å; A5-V9 PolarHBondContact O-N 3.15Å; C6-V9 PolarHBondContact O-N 2.93Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.16Å; V9-F12 WeakPolarHBondContact O-CB 3.33Å; V9-F12 PolarHBondContact O-N 3.43Å; V9-V13 HydrophobicContact CG1-CG2 4.37Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.37Å; V9-V13 PolarHBondContact O-N 3.35Å
10L86.6Confident81.5Confident45 Ų4584.2 Ų84.224%0.23646%0.461CS..Hα-helixtrans-63-40.3177-168.372.9000111.7C6 C7 V13 L14 I29 F32C6-L10 WeakPolarHBondContact O-CB 3.13Å; C6-L10 PolarHBondContact O-N 3.27Å; C7-L10 PolarHBondContact O-N 3.03Å; L10-V13 PolarHBondContact O-N 3.46Å; L10-L14 HydrophobicContact CD1-CD1 4.27Å; L10-L14 HydrophobicContact CD1-CG 4.35Å; L10-L14 HydrophobicContact CD2-CD1 4.27Å; L10-L14 HydrophobicContact CG-CD1 3.81Å; L10-L14 HydrophobicContact CG-CG 4.22Å; L10-L14 VanDerWaalsContact O-CB 3.31Å; L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.44Å; L10-I29 HydrophobicContact CD2-CG1 4.42Å; L10-F32 HydrophobicContact CD2-CB 3.62Å; L10-F32 HydrophobicContact CD2-CD1 3.78Å; L10-F32 HydrophobicContact CD2-CD2 4.18Å; L10-F32 HydrophobicContact CD2-CG 3.59Å
11L89.3Confident82Confident61 Ų6182.1 Ų82.132%0.31945%0.451SS..Hα-helixtrans-59.8-48.4173.2-173152.6000111C7 T8 V9 R15 W22 V25 I29C7-L11 VanDerWaalsContact O-CB 3.3Å; C7-L11 WeakPolarHBondContact O-CB 3.34Å; C7-L11 PolarHBondContact O-N 3.12Å; T8-L11 PolarHBondContact O-N 2.82Å; V9-L11 VanDerWaalsContact C-N 3.34Å; V9-L11 PolarHBondContact O-N 3.16Å; L11-R15 WeakPolarHBondContact O-CB 3.47Å; L11-R15 PolarHBondContact O-N 2.89Å; L11-W22 HydrophobicContact CD1-CZ3 4.32Å; L11-W22 HydrophobicContact CD2-CH2 4.32Å; L11-W22 HydrophobicContact CD2-CZ3 4.46Å; L11-W22 HydrophobicContact CG-CZ3 4.4Å; L11-V25 HydrophobicContact CG-CG1 4.43Å; L11-I29 HydrophobicContact CB-CD1 3.44Å; L11-I29 VanDerWaalsContact CB-CD1 3.44Å; L11-I29 HydrophobicContact CB-CG1 4.36Å; L11-I29 HydrophobicContact CD1-CD1 3.65Å; L11-I29 HydrophobicContact CG-CD1 3.62Å
12F88.7Confident83.8Confident116 Ų11678 Ų7851%0.50943%0.425SS..Hα-helixtrans-59.6-48.3178.1-176.2-86.8000111T8 V9 L16 V17T8-F12 WeakPolarHBondContact O-CB 3.42Å; T8-F12 PolarHBondContact O-N 2.97Å; V9-F12 WeakPolarHBondContact O-CB 3.33Å; V9-F12 PolarHBondContact O-N 3.43Å; F12-L16 HydrophobicContact CD2-CD1 3.34Å; F12-L16 HydrophobicContact CD2-CG 4.5Å; F12-L16 HydrophobicContact CE2-CB 4.49Å; F12-L16 HydrophobicContact CE2-CD1 3.32Å; F12-L16 HydrophobicContact CG-CD1 4.12Å; F12-L16 HydrophobicContact CZ-CD1 4.11Å; F12-L16 WeakPolarHBondContact O-CA 3.46Å; F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 3.04Å; F12-V17 HydrophobicContact CD1-CG2 4.43Å; F12-V17 HydrophobicContact CE1-CG2 4.21Å
13V89Confident85.4Confident58 Ų5878.6 Ų78.635%0.35242%0.419SS..Iπ-helixtrans-62.4-53.6178.9172.10000111V9 L10 R15 V17 V18V9-V13 HydrophobicContact CG1-CG2 4.37Å; V9-V13 VanDerWaalsContact O-CG2 3.31Å; V9-V13 WeakPolarHBondContact O-CG2 3.37Å; V9-V13 PolarHBondContact O-N 3.35Å; L10-V13 PolarHBondContact O-N 3.46Å; V13-R15 VanDerWaalsContact C-N 3.34Å; V13-R15 PolarHBondContact O-N 3.13Å; V13-V17 WeakPolarHBondContact O-CA 3.4Å; V13-V17 VanDerWaalsContact O-CB 3.32Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 PolarHBondContact O-N 2.82Å; V13-V17 VanDerWaalsContact O-N 3.07Å; V13-V18 HydrophobicContact CG1-CG2 4.29Å; V13-V18 PolarHBondContact O-N 2.69Å
14L89.1Confident86.2Confident31 Ų3177.4 Ų77.416%0.16242%0.418CS..Iπ-helixtrans-65.7-36.1-175.9-67176.4000112.7L10 G19 L20 V25 A28L10-L14 HydrophobicContact CD1-CD1 4.27Å; L10-L14 HydrophobicContact CD1-CG 4.35Å; L10-L14 HydrophobicContact CD2-CD1 4.27Å; L10-L14 HydrophobicContact CG-CD1 3.81Å; L10-L14 HydrophobicContact CG-CG 4.22Å; L10-L14 VanDerWaalsContact O-CB 3.31Å; L10-L14 WeakPolarHBondContact O-CB 3.44Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.44Å; L14-G19 PolarHBondContact O-N 3.09Å; L14-L20 HydrophobicContact CB-CD1 4.39Å; L14-L20 HydrophobicContact CD2-CD1 3.97Å; L14-L20 WeakPolarHBondContact O-CB 3.48Å; L14-L20 PolarHBondContact O-N 3.24Å; L14-V25 HydrophobicContact CB-CG1 4.35Å; L14-V25 HydrophobicContact CB-CG2 4.17Å; L14-A28 HydrophobicContact CD1-CB 3.91Å
15R91.6Very high87.3Confident81 Ų8172.7 Ų72.731%0.30639%0.394SS..Iπ-helixtrans-86.2-47-177.3-176.258.3-176.2151.66.5113.3L11 V13 G19 L20 W22 V25L11-R15 WeakPolarHBondContact O-CB 3.47Å; L11-R15 PolarHBondContact O-N 2.89Å; V13-R15 VanDerWaalsContact C-N 3.34Å; V13-R15 PolarHBondContact O-N 3.13Å; R15-G19 WeakPolarHBondContact O-CA 3.46Å; R15-L20 WeakPolarHBondContact CD-O 3.48Å; R15-L20 PolarHBondContact NH1-O 2.68Å; R15-W22 HydrophobicContact CG-CH2 4.02Å; R15-W22 HydrophobicContact CG-CZ2 4.05Å; R15-W22 HydrophobicContact CG-CZ3 4.46Å; R15-V25 HydrophobicContact CB-CG1 4.49Å; R15-V25 HydrophobicContact CB-CG2 4.44Å
16L86Confident88Confident120 Ų12074.8 Ų74.863%0.62840%0.397SS*.Iπ-helixtrans-99.5-27.5-168.5-65.3167.4000113.2F12F12-L16 HydrophobicContact CD2-CD1 3.34Å; F12-L16 HydrophobicContact CD2-CG 4.5Å; F12-L16 HydrophobicContact CE2-CB 4.49Å; F12-L16 HydrophobicContact CE2-CD1 3.32Å; F12-L16 HydrophobicContact CG-CD1 4.12Å; F12-L16 HydrophobicContact CZ-CD1 4.11Å; F12-L16 WeakPolarHBondContact O-CA 3.46Å; F12-L16 VanDerWaalsContact O-CB 3.29Å; F12-L16 WeakPolarHBondContact O-CB 3.48Å; F12-L16 PolarHBondContact O-N 3.04Å
17V88.8Confident88.5Confident105 Ų10575 Ų7564%0.63640%0.398SS*.Iπ-helixtrans-95.7-45.7178.2-175.60000111F12 V13F12-V17 HydrophobicContact CD1-CG2 4.43Å; F12-V17 HydrophobicContact CE1-CG2 4.21Å; V13-V17 WeakPolarHBondContact O-CA 3.4Å; V13-V17 VanDerWaalsContact O-CB 3.32Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 PolarHBondContact O-N 2.82Å; V13-V17 VanDerWaalsContact O-N 3.07Å
18V90.7Very high88.6Confident86 Ų8676.2 Ų76.252%0.52141%0.409SS..SBendtrans-89.2-21.9-178.1-172.80000112.4V13 L20V13-V18 HydrophobicContact CG1-CG2 4.29Å; V13-V18 PolarHBondContact O-N 2.69Å; V18-L20 HydrophobicContact CB-CG 4.39Å; V18-L20 HydrophobicContact CG1-CD1 4.35Å; V18-L20 HydrophobicContact CG1-CD2 4.22Å; V18-L20 HydrophobicContact CG1-CG 3.89Å
19G91.8Very high88.8Confident51 Ų5173.1 Ų73.153%0.52639%0.388SS..  trans7817175.400000115.3L14 R15L14-G19 PolarHBondContact O-N 3.09Å; R15-G19 WeakPolarHBondContact O-CA 3.46Å
20L93.3Very high88.6Confident50 Ų5073 Ų7326%0.26238%0.384SS..  trans-65.5145.4-177.3-64.4178.2000112.1L14 R15 V18 V25L14-L20 HydrophobicContact CB-CD1 4.39Å; L14-L20 HydrophobicContact CD2-CD1 3.97Å; L14-L20 WeakPolarHBondContact O-CB 3.48Å; L14-L20 PolarHBondContact O-N 3.24Å; R15-L20 WeakPolarHBondContact CD-O 3.48Å; R15-L20 PolarHBondContact NH1-O 2.68Å; V18-L20 HydrophobicContact CB-CG 4.39Å; V18-L20 HydrophobicContact CG1-CD1 4.35Å; V18-L20 HydrophobicContact CG1-CD2 4.22Å; V18-L20 HydrophobicContact CG1-CG 3.89Å; L20-V25 HydrophobicContact CB-CG2 3.61Å; L20-V25 WeakPolarHBondContact O-CG2 3.48Å
21P92.2Very high88.4Confident41 Ų4176.4 Ų76.427%0.26640%0.401SS..  trans-71.2152.817629.9-34.7000112Y23 Q24 V25P21-Y23 HydrophobicContact CB-CD1 3.7Å; P21-Y23 HydrophobicContact CB-CE1 3.32Å; P21-Y23 HydrophobicContact CG-CD1 3.95Å; P21-Y23 HydrophobicContact CG-CE1 3.29Å; P21-Y23 HydrophobicContact CG-CE2 4.16Å; P21-Y23 WeakPolarHBondContact CG-OH 3.49Å; P21-Y23 PolarHBondContact O-N 2.85Å; P21-Y23 VanDerWaalsContact O-N 3.11Å; P21-Q24 HydrophobicContact CG-CB 4.49Å; P21-Q24 HydrophobicContact CG-CG 4.2Å; P21-Q24 PolarHBondContact O-N 2.92Å; P21-V25 WeakPolarHBondContact O-CG2 3.38Å; P21-V25 PolarHBondContact O-N 3.42Å; P21-V25 VanDerWaalsContact O-N 3.09Å
22W90.3Very high87.9Confident121 Ų12177.6 Ų77.646%0.45840%0.404SS..Hα-helixtrans-55.7-33.6-173.2-75.2118000114.4L11 R15 Q24 V25 L26L11-W22 HydrophobicContact CD1-CZ3 4.32Å; L11-W22 HydrophobicContact CD2-CH2 4.32Å; L11-W22 HydrophobicContact CD2-CZ3 4.46Å; L11-W22 HydrophobicContact CG-CZ3 4.4Å; R15-W22 HydrophobicContact CG-CH2 4.02Å; R15-W22 HydrophobicContact CG-CZ2 4.05Å; R15-W22 HydrophobicContact CG-CZ3 4.46Å; W22-Q24 PolarHBondContact O-N 2.98Å; W22-V25 HydrophobicContact CE3-CB 4.35Å; W22-V25 HydrophobicContact CE3-CG1 4.26Å; W22-V25 HydrophobicContact CZ3-CG1 4.25Å; W22-V25 PolarHBondContact O-N 2.9Å; W22-L26 HydrophobicContact CE3-CD2 4.33Å; W22-L26 HydrophobicContact CE3-CG 4.22Å; W22-L26 WeakPolarHBondContact O-CB 3.4Å; W22-L26 WeakPolarHBondContact O-CG 3.43Å; W22-L26 PolarHBondContact O-N 3.35Å
23Y91.7Very high87.4Confident169 Ų16973.6 Ų73.666%0.66339%0.386SS*.Hα-helixtrans-68.3-14.4178.168.7-95.8000113.7P21 P27P21-Y23 HydrophobicContact CB-CD1 3.7Å; P21-Y23 HydrophobicContact CB-CE1 3.32Å; P21-Y23 HydrophobicContact CG-CD1 3.95Å; P21-Y23 HydrophobicContact CG-CE1 3.29Å; P21-Y23 HydrophobicContact CG-CE2 4.16Å; P21-Y23 WeakPolarHBondContact CG-OH 3.49Å; P21-Y23 PolarHBondContact O-N 2.85Å; P21-Y23 VanDerWaalsContact O-N 3.11Å; Y23-P27 WeakPolarHBondContact O-CD 3.3Å; Y23-P27 WeakPolarHBondContact O-CG 3.43Å
24Q89.2Confident86.7Confident86 Ų8672.4 Ų72.440%0.40238%0.377SS..Hα-helixtrans-101.2-37.8171.7-67.1177.1-8.900111.7P21 W22 P27 A28P21-Q24 HydrophobicContact CG-CB 4.49Å; P21-Q24 HydrophobicContact CG-CG 4.2Å; P21-Q24 PolarHBondContact O-N 2.92Å; W22-Q24 PolarHBondContact O-N 2.98Å; Q24-P27 WeakPolarHBondContact O-CD 3.43Å; Q24-A28 VanDerWaalsContact O-CB 3.28Å; Q24-A28 WeakPolarHBondContact O-CB 3.1Å; Q24-A28 PolarHBondContact O-N 3.28Å; Q24-A28 VanDerWaalsContact O-N 3.13Å
25V88.7Confident85.4Confident0 Ų074.3 Ų74.30%041%0.405CS..Hα-helixtrans-64.1-46.2179.8175.70000111.5L11 L14 R15 L20 P21 W22 A28 I29L11-V25 HydrophobicContact CG-CG1 4.43Å; L14-V25 HydrophobicContact CB-CG1 4.35Å; L14-V25 HydrophobicContact CB-CG2 4.17Å; R15-V25 HydrophobicContact CB-CG1 4.49Å; R15-V25 HydrophobicContact CB-CG2 4.44Å; L20-V25 HydrophobicContact CB-CG2 3.61Å; L20-V25 WeakPolarHBondContact O-CG2 3.48Å; P21-V25 WeakPolarHBondContact O-CG2 3.38Å; P21-V25 PolarHBondContact O-N 3.42Å; P21-V25 VanDerWaalsContact O-N 3.09Å; W22-V25 HydrophobicContact CE3-CB 4.35Å; W22-V25 HydrophobicContact CE3-CG1 4.26Å; W22-V25 HydrophobicContact CZ3-CG1 4.25Å; W22-V25 PolarHBondContact O-N 2.9Å; V25-A28 PolarHBondContact O-N 3.21Å; V25-I29 HydrophobicContact CG1-CD1 3.54Å; V25-I29 HydrophobicContact CG1-CG1 4.36Å; V25-I29 WeakPolarHBondContact O-CD1 3.43Å; V25-I29 VanDerWaalsContact O-CG1 3.27Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.49Å
26L86.6Confident84.2Confident100 Ų10072.3 Ų72.352%0.52440%0.403SS..Hα-helixtrans-65.2-46.9-176.4-66.8171000112.5W22 L30W22-L26 HydrophobicContact CE3-CD2 4.33Å; W22-L26 HydrophobicContact CE3-CG 4.22Å; W22-L26 WeakPolarHBondContact O-CB 3.4Å; W22-L26 WeakPolarHBondContact O-CG 3.43Å; W22-L26 PolarHBondContact O-N 3.35Å; L26-L30 WeakPolarHBondContact O-CB 3.07Å; L26-L30 PolarHBondContact O-N 3.04Å
27P88.1Confident82.9Confident62 Ų6268 Ų6840%0.40339%0.388SS..Hα-helixtrans-63-39.5172.9-25.336.5000113.3Y23 Q24 I29 L30 I31Y23-P27 WeakPolarHBondContact O-CD 3.3Å; Y23-P27 WeakPolarHBondContact O-CG 3.43Å; Q24-P27 WeakPolarHBondContact O-CD 3.43Å; P27-I29 PolarHBondContact O-N 3.14Å; P27-L30 PolarHBondContact O-N 2.89Å; P27-I31 WeakPolarHBondContact O-CB 3.23Å; P27-I31 WeakPolarHBondContact O-CG1 3.29Å; P27-I31 PolarHBondContact O-N 3.42Å
28A83.5Confident82Confident36 Ų3663.1 Ų63.130%0.29836%0.358SS..Hα-helixtrans-63.5-42.2179.900000112.5L14 Q24 V25 I31 F32L14-A28 HydrophobicContact CD1-CB 3.91Å; Q24-A28 VanDerWaalsContact O-CB 3.28Å; Q24-A28 WeakPolarHBondContact O-CB 3.1Å; Q24-A28 PolarHBondContact O-N 3.28Å; Q24-A28 VanDerWaalsContact O-N 3.13Å; V25-A28 PolarHBondContact O-N 3.21Å; A28-I31 PolarHBondContact O-N 3.04Å; A28-F32 WeakPolarHBondContact O-CB 3.41Å; A28-F32 PolarHBondContact O-N 3.47Å
29I86Confident81.2Confident23 Ų2367.3 Ų67.312%0.11837%0.365CS..Hα-helixtrans-65.7-42174.3-64.8161.1000110.6C7 L10 L11 V25 P27 F32 Y33C7-I29 HydrophobicContact CB-CG2 3.9Å; L10-I29 HydrophobicContact CD2-CG1 4.42Å; L11-I29 HydrophobicContact CB-CD1 3.44Å; L11-I29 VanDerWaalsContact CB-CD1 3.44Å; L11-I29 HydrophobicContact CB-CG1 4.36Å; L11-I29 HydrophobicContact CD1-CD1 3.65Å; L11-I29 HydrophobicContact CG-CD1 3.62Å; V25-I29 HydrophobicContact CG1-CD1 3.54Å; V25-I29 HydrophobicContact CG1-CG1 4.36Å; V25-I29 WeakPolarHBondContact O-CD1 3.43Å; V25-I29 VanDerWaalsContact O-CG1 3.27Å; V25-I29 WeakPolarHBondContact O-CG1 3.41Å; V25-I29 PolarHBondContact O-N 3.49Å; P27-I29 PolarHBondContact O-N 3.14Å; I29-F32 PolarHBondContact O-N 2.91Å; I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3.41Å
30L80.1Confident80.6Confident91 Ų9168.2 Ų68.248%0.47636%0.363SS..Hα-helixtrans-62.8-44.3177.9-176.563.1000111.2L26 P27 Y33 L34L26-L30 WeakPolarHBondContact O-CB 3.07Å; L26-L30 PolarHBondContact O-N 3.04Å; P27-L30 PolarHBondContact O-N 2.89Å; L30-Y33 PolarHBondContact O-N 3.25Å; L30-L34 HydrophobicContact CD1-CD1 4.21Å; L30-L34 HydrophobicContact CD1-CG 4.3Å; L30-L34 HydrophobicContact CG-CD1 3.95Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.38Å
31I81Confident80.1Confident117 Ų11768.9 Ų68.960%0.636%0.364SS*.Hα-helixtrans-62.8-46.2176.3-70.1164.1000110.6P27 A28 Y33 L34 G35P27-I31 WeakPolarHBondContact O-CB 3.23Å; P27-I31 WeakPolarHBondContact O-CG1 3.29Å; P27-I31 PolarHBondContact O-N 3.42Å; A28-I31 PolarHBondContact O-N 3.04Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 2.96Å; I31-G35 WeakPolarHBondContact O-CA 3.37Å; I31-G35 PolarHBondContact O-N 3.32Å
32F80.2Confident79.6Confident85 Ų8570.3 Ų70.337%0.37337%0.369SS..Hα-helixtrans-62.8-41.5176.3176.3-96.4000111.9C6 L10 A28 I29 S36C6-F32 HydrophobicContact CB-CE1 3.86Å; C6-F32 HydrophobicContact CB-CZ 4.16Å; L10-F32 HydrophobicContact CD2-CB 3.62Å; L10-F32 HydrophobicContact CD2-CD1 3.78Å; L10-F32 HydrophobicContact CD2-CD2 4.18Å; L10-F32 HydrophobicContact CD2-CG 3.59Å; A28-F32 WeakPolarHBondContact O-CB 3.41Å; A28-F32 PolarHBondContact O-N 3.47Å; I29-F32 PolarHBondContact O-N 2.91Å; F32-S36 VanDerWaalsContact O-CB 3.23Å; F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.49Å; F32-S36 PolarHBondContact O-OG 2.95Å
33Y78.2Confident79.5Confident32 Ų3266.8 Ų66.813%0.12536%0.359CS..Hα-helixtrans-62.7-48176.6-175.9-98.3000111.4I29 L30 I31 S36 G38 F41 L42I29-Y33 WeakPolarHBondContact O-CB 3.47Å; I29-Y33 PolarHBondContact O-N 3.41Å; L30-Y33 PolarHBondContact O-N 3.25Å; I31-Y33 VanDerWaalsContact C-N 3.34Å; I31-Y33 PolarHBondContact O-N 3.38Å; Y33-S36 PolarHBondContact O-OG 3.19Å; Y33-S36 VanDerWaalsContact O-OG 3.07Å; Y33-G38 WeakPolarHBondContact CE1-O 3.39Å; Y33-G38 WeakPolarHBondContact O-CA 3.46Å; Y33-G38 PolarHBondContact O-N 2.95Å; Y33-F41 HydrophobicContact CE1-CD1 4.39Å; Y33-F41 AromaticContact CZ-CD1 3.98Å; Y33-F41 WeakPolarHBondContact OH-CB 3.25Å; Y33-F41 WeakPolarHBondContact OH-CD1 3.08Å; Y33-F41 WeakPolarHBondContact OH-CG 3.49Å; Y33-L42 HydrophobicContact CE1-CG 4.36Å
34L73.7Confident79.4Confident34 Ų3459.9 Ų59.918%0.17833%0.333CS..Iπ-helixtrans-63.6-49176.9-71.5173000111.6L30 I31 S36 G37 G38 W39 L42L30-L34 HydrophobicContact CD1-CD1 4.21Å; L30-L34 HydrophobicContact CD1-CG 4.3Å; L30-L34 HydrophobicContact CG-CD1 3.95Å; L30-L34 HydrophobicContact CG-CG 4.44Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 2.96Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.99Å; L34-G37 PolarHBondContact O-N 3.35Å; L34-G38 PolarHBondContact O-N 3.26Å; L34-W39 HydrophobicContact CD2-CD2 3.93Å; L34-W39 HydrophobicContact CD2-CE3 4.37Å; L34-W39 HydrophobicContact CD2-CG 4.24Å; L34-W39 HydrophobicContact CD2-CZ2 4.21Å; L34-W39 VanDerWaalsContact O-CD1 3.24Å; L34-L42 HydrophobicContact CD2-CD1 3.34Å; L34-L42 HydrophobicContact CG-CD1 4.48Å
35G61.8Low79.4Confident71 Ų7157.5 Ų57.573%0.73232%0.324SS*.Iπ-helixtrans-66.8-28.3-178.700000114.1I31 G37I31-G35 WeakPolarHBondContact O-CA 3.37Å; I31-G35 PolarHBondContact O-N 3.32Å; G35-G37 PolarHBondContact O-N 3.04Å
36S67.2Low79.4Confident39 Ų3961.3 Ų61.327%0.27336%0.356SS..Iπ-helixtrans-78.99.9171.863.10000113.6R3 F32 Y33 L34R3-S36 PolarHBondContact NE-O 2.87Å; R3-S36 PolarHBondContact NH1-O 3.13Å; R3-S36 PolarHBondContact NH2-O 3.22Å; F32-S36 VanDerWaalsContact O-CB 3.23Å; F32-S36 WeakPolarHBondContact O-CB 3.37Å; F32-S36 PolarHBondContact O-N 3.49Å; F32-S36 PolarHBondContact O-OG 2.95Å; Y33-S36 PolarHBondContact O-OG 3.19Å; Y33-S36 VanDerWaalsContact O-OG 3.07Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.99Å
37G58.9Low79.7Confident30 Ų3062.3 Ų62.331%0.30936%0.356SS..Iπ-helixtrans90.216.8178.500000114.2R3 L34 G35 W39 S40R3-G37 PolarHBondContact NH1-O 3.38Å; L34-G37 PolarHBondContact O-N 3.35Å; G35-G37 PolarHBondContact O-N 3.04Å; G37-W39 PolarHBondContact O-N 3.46Å; G37-S40 PolarHBondContact O-OG 3.22Å
38G68.1Low80Confident1 Ų159.5 Ų59.51%0.0134%0.337CS..Iπ-helixtrans-66.4-6177.500000115Y33 L34 S40 F41 L42Y33-G38 WeakPolarHBondContact CE1-O 3.39Å; Y33-G38 WeakPolarHBondContact O-CA 3.46Å; Y33-G38 PolarHBondContact O-N 2.95Å; L34-G38 PolarHBondContact O-N 3.26Å; G38-S40 PolarHBondContact O-N 3.36Å; G38-F41 PolarHBondContact O-N 2.71Å; G38-F41 VanDerWaalsContact O-N 3.09Å; G38-L42 PolarHBondContact O-N 3.47Å
39W75.4Confident80.4Confident175 Ų17561 Ų6166%0.66334%0.34SS*.Hα-helixtrans-49.8-39.6169.2-78.2101.9000113.3L34 G37 F41 L42 D43L34-W39 HydrophobicContact CD2-CD2 3.93Å; L34-W39 HydrophobicContact CD2-CE3 4.37Å; L34-W39 HydrophobicContact CD2-CG 4.24Å; L34-W39 HydrophobicContact CD2-CZ2 4.21Å; L34-W39 VanDerWaalsContact O-CD1 3.24Å; G37-W39 PolarHBondContact O-N 3.46Å; W39-F41 VanDerWaalsContact C-N 3.3Å; W39-F41 PolarHBondContact O-N 3.06Å; W39-L42 PolarHBondContact O-N 3.45Å; W39-D43 WeakPolarHBondContact O-CB 3.33Å; W39-D43 PolarHBondContact O-N 2.68Å
40S79.1Confident80.7Confident69 Ų6962.4 Ų62.448%0.48336%0.36SS..Hα-helixtrans-64.6-33.8179.960.30000112.9G37 G38 I44G37-S40 PolarHBondContact O-OG 3.22Å; G38-S40 PolarHBondContact O-N 3.36Å; S40-I44 WeakPolarHBondContact O-CD1 3.4Å; S40-I44 WeakPolarHBondContact O-CG1 3.4Å; S40-I44 PolarHBondContact O-N 3.13Å
41F81.6Confident81.4Confident64 Ų6459.4 Ų59.428%0.28134%0.342SS..Hα-helixtrans-74.3-40.9176.4-179.5-98.7000111.6Y33 G38 W39 D43 I44 V45 I409Y33-F41 HydrophobicContact CE1-CD1 4.39Å; Y33-F41 AromaticContact CZ-CD1 3.98Å; Y33-F41 WeakPolarHBondContact OH-CB 3.25Å; Y33-F41 WeakPolarHBondContact OH-CD1 3.08Å; Y33-F41 WeakPolarHBondContact OH-CG 3.49Å; G38-F41 PolarHBondContact O-N 2.71Å; G38-F41 VanDerWaalsContact O-N 3.09Å; W39-F41 VanDerWaalsContact C-N 3.3Å; W39-F41 PolarHBondContact O-N 3.06Å; F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 2.86Å; F41-I44 WeakPolarHBondContact O-CB 3.42Å; F41-I44 PolarHBondContact O-N 3.05Å; F41-V45 HydrophobicContact CD1-CG2 3.96Å; F41-V45 HydrophobicContact CE1-CG2 3.59Å; F41-V45 HydrophobicContact CE2-CG2 4.29Å; F41-V45 HydrophobicContact CG-CG2 4.49Å; F41-V45 HydrophobicContact CZ-CG2 3.77Å; F41-V45 WeakPolarHBondContact O-CG2 3.38Å; F41-V45 PolarHBondContact O-N 3.09Å; F41-I409 HydrophobicContact CZ-CG2 4.42Å
42L82.6Confident81.9Confident71 Ų7154.6 Ų54.637%0.37232%0.317SS..Hα-helixtrans-63.1-38.9174-66.8-178.5000111.7Y33 L34 G38 W39 V45 A46Y33-L42 HydrophobicContact CE1-CG 4.36Å; L34-L42 HydrophobicContact CD2-CD1 3.34Å; L34-L42 HydrophobicContact CG-CD1 4.48Å; G38-L42 PolarHBondContact O-N 3.47Å; W39-L42 PolarHBondContact O-N 3.45Å; L42-V45 PolarHBondContact O-N 2.83Å; L42-A46 VanDerWaalsContact O-CB 3.25Å; L42-A46 WeakPolarHBondContact O-CB 3.13Å; L42-A46 PolarHBondContact O-N 2.92Å
43D87.9Confident82.6Confident47 Ų4755.8 Ų55.825%0.25133%0.327SS..Hα-helixtrans-60-45.6172.8-177.656.6000111.5W39 F41 K47 K495 Y496W39-D43 WeakPolarHBondContact O-CB 3.33Å; W39-D43 PolarHBondContact O-N 2.68Å; F41-D43 VanDerWaalsContact C-N 3.31Å; F41-D43 PolarHBondContact O-N 2.86Å; D43-K47 WeakPolarHBondContact O-CB 3.24Å; D43-K47 WeakPolarHBondContact O-CG 3.26Å; D43-K47 PolarHBondContact O-N 3.06Å; D43-K47 WeakPolarHBondContact OD1-CD 3.44Å; D43-K47 VanDerWaalsContact OD1-CE 3.24Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 2.71Å; D43-K47 PolarHBondContact OD1-NZ 3.49Å; D43-K47 IonicContact OD2-NZ 2.77Å; D43-K47 PolarHBondContact OD2-NZ 2.91Å; D43-K495 IonicContact OD2-NZ 3.81Å; D43-Y496 WeakPolarHBondContact OD2-CE1 3.38Å
44I90.1Very high83.4Confident24 Ų2455.7 Ų55.712%0.12333%0.328CS..Hα-helixtrans-59.1-51.3174.3-72.5165.4000110.3S40 F41 K47 T48 Q408 I409 K495 Y496S40-I44 WeakPolarHBondContact O-CD1 3.4Å; S40-I44 WeakPolarHBondContact O-CG1 3.4Å; S40-I44 PolarHBondContact O-N 3.13Å; F41-I44 WeakPolarHBondContact O-CB 3.42Å; F41-I44 PolarHBondContact O-N 3.05Å; I44-K47 PolarHBondContact O-N 3.35Å; I44-T48 VanDerWaalsContact O-CB 3.3Å; I44-T48 WeakPolarHBondContact O-CB 3.5Å; I44-T48 WeakPolarHBondContact O-CG2 3.41Å; I44-T48 PolarHBondContact O-N 3.46Å; I44-T48 PolarHBondContact O-OG1 3.33Å; I44-Q408 HydrophobicContact CD1-CB 4.44Å; I44-Q408 HydrophobicContact CG2-CB 3.78Å; I44-I409 HydrophobicContact CG2-CG1 4.38Å; I44-K495 WeakPolarHBondContact CD1-O 3.34Å; I44-K495 WeakPolarHBondContact CG1-O 3.17Å; I44-Y496 HydrophobicContact CG1-CD1 4.34Å
45V88.1Confident84.3Confident36 Ų3654.5 Ų54.522%0.21832%0.323CS..Hα-helixtrans-59.5-51.7-179.7171.50000110.1F41 L42 K47 T48 I49 I409F41-V45 HydrophobicContact CD1-CG2 3.96Å; F41-V45 HydrophobicContact CE1-CG2 3.59Å; F41-V45 HydrophobicContact CE2-CG2 4.29Å; F41-V45 HydrophobicContact CG-CG2 4.49Å; F41-V45 HydrophobicContact CZ-CG2 3.77Å; F41-V45 WeakPolarHBondContact O-CG2 3.38Å; F41-V45 PolarHBondContact O-N 3.09Å; L42-V45 PolarHBondContact O-N 2.83Å; V45-K47 VanDerWaalsContact C-N 3.28Å; V45-K47 PolarHBondContact O-N 3.46Å; V45-T48 PolarHBondContact O-N 2.87Å; V45-I49 HydrophobicContact CG1-CB 4.25Å; V45-I49 WeakPolarHBondContact O-CB 3.39Å; V45-I49 VanDerWaalsContact O-CG2 3.3Å; V45-I49 WeakPolarHBondContact O-CG2 3.42Å; V45-I49 PolarHBondContact O-N 2.94Å; V45-I409 HydrophobicContact CB-CD1 4.49Å; V45-I409 HydrophobicContact CG2-CD1 4.11Å; V45-I409 HydrophobicContact CG2-CG1 4.12Å
46A89.4Confident85.8Confident80 Ų8053.1 Ų53.166%0.66131%0.305SS*.Hα-helixtrans-56.7-41.1-179.200000112.5L42L42-A46 VanDerWaalsContact O-CB 3.25Å; L42-A46 WeakPolarHBondContact O-CB 3.13Å; L42-A46 PolarHBondContact O-N 2.92Å
47K93Very high87Confident122 Ų12257 Ų5753%0.5331%0.314SS..Hα-helixtrans-82.1-21.1-178.8-74.8172.5172.6153.10114.7D43 I44 V45 Y496D43-K47 WeakPolarHBondContact O-CB 3.24Å; D43-K47 WeakPolarHBondContact O-CG 3.26Å; D43-K47 PolarHBondContact O-N 3.06Å; D43-K47 WeakPolarHBondContact OD1-CD 3.44Å; D43-K47 VanDerWaalsContact OD1-CE 3.24Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 2.71Å; D43-K47 PolarHBondContact OD1-NZ 3.49Å; D43-K47 IonicContact OD2-NZ 2.77Å; D43-K47 PolarHBondContact OD2-NZ 2.91Å; I44-K47 PolarHBondContact O-N 3.35Å; V45-K47 VanDerWaalsContact C-N 3.28Å; V45-K47 PolarHBondContact O-N 3.46Å; K47-Y496 HydrophobicContact CB-CD1 4.37Å; K47-Y496 HydrophobicContact CB-CE1 4.33Å; K47-Y496 HydrophobicContact CD-CD1 4.2Å; K47-Y496 HydrophobicContact CD-CE1 3.37Å; K47-Y496 HydrophobicContact CG-CE1 4.47Å; K47-Y496 PolarHBondContact NZ-OH 3.39Å
48T94.2Very high88.7Confident2 Ų255.6 Ų55.61%0.01230%0.299CS..Hα-helixtrans-122.5-14.7-16967.60000115I44 V45 G50 R51 D52 Y496I44-T48 VanDerWaalsContact O-CB 3.3Å; I44-T48 WeakPolarHBondContact O-CB 3.5Å; I44-T48 WeakPolarHBondContact O-CG2 3.41Å; I44-T48 PolarHBondContact O-N 3.46Å; I44-T48 PolarHBondContact O-OG1 3.33Å; V45-T48 PolarHBondContact O-N 2.87Å; T48-G50 VanDerWaalsContact C-N 3.28Å; T48-G50 PolarHBondContact O-N 3.4Å; T48-G50 VanDerWaalsContact O-N 3.13Å; T48-R51 WeakPolarHBondContact O-CB 3.41Å; T48-R51 PolarHBondContact O-N 3.16Å; T48-D52 WeakPolarHBondContact CB-OD2 3.41Å; T48-D52 WeakPolarHBondContact O-CB 3.38Å; T48-D52 PolarHBondContact O-N 3.05Å; T48-Y496 HydrophobicContact CG2-CD1 4.42Å
49I91.4Very high89.9Confident69 Ų6958.4 Ų58.435%0.35431%0.314SS..Hα-helixtrans-55.1-40-173.4-169.763.2000113.1V45 D52 L53 I409V45-I49 HydrophobicContact CG1-CB 4.25Å; V45-I49 WeakPolarHBondContact O-CB 3.39Å; V45-I49 VanDerWaalsContact O-CG2 3.3Å; V45-I49 WeakPolarHBondContact O-CG2 3.42Å; V45-I49 PolarHBondContact O-N 2.94Å; I49-D52 PolarHBondContact O-N 3.12Å; I49-L53 HydrophobicContact CD1-CD1 4.33Å; I49-L53 HydrophobicContact CD1-CD2 4.44Å; I49-L53 HydrophobicContact CD1-CG 4.04Å; I49-L53 HydrophobicContact CG1-CD1 3.89Å; I49-L53 HydrophobicContact CG1-CG 4.07Å; I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.35Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.81Å; I49-I409 HydrophobicContact CB-CD1 4.43Å; I49-I409 HydrophobicContact CD1-CD1 3.87Å
50G93.3Very high90.8Very high51 Ų5154.9 Ų54.953%0.52631%0.307SS..Hα-helixtrans-62.9-44.9177.900000113.2T48 H54T48-G50 VanDerWaalsContact C-N 3.28Å; T48-G50 PolarHBondContact O-N 3.4Å; T48-G50 VanDerWaalsContact O-N 3.13Å; G50-H54 WeakPolarHBondContact O-CB 3.47Å; G50-H54 PolarHBondContact O-N 3.46Å; G50-H54 VanDerWaalsContact O-N 3.09Å
51R94.4Very high91.6Very high29 Ų2956.2 Ų56.211%0.10930%0.302CS..Hα-helixtrans-63-45.5174.8177.6-161.366.4-176.94.7110.8T48 H54 A55 F405 Y496 H498T48-R51 WeakPolarHBondContact O-CB 3.41Å; T48-R51 PolarHBondContact O-N 3.16Å; R51-H54 PolarHBondContact O-N 3Å; R51-A55 PolarHBondContact O-N 2.97Å; R51-F405 HydrophobicContact CG-CD1 4.36Å; R51-F405 HydrophobicContact CG-CE1 3.88Å; R51-F405 HydrophobicContact CG-CE2 4.26Å; R51-F405 HydrophobicContact CG-CZ 3.8Å; R51-F405 VanDerWaalsContact CZ-CD2 3.41Å; R51-Y496 PolarHBondContact NH1-O 3.04Å; R51-Y496 PolarHBondContact NH2-O 3.11Å; R51-H498 PolarHBondContact NH1-CD2 3.37Å; R51-H498 PolarHBondContact NH1-CE1 2.91Å; R51-H498 VanDerWaalsContact NH1-CE1 3.31Å; R51-H498 PolarHBondContact NH1-NE2 3.23Å
52D92.3Very high92.2Very high15 Ų1553.3 Ų53.38%0.0829%0.29CS..Hα-helixtrans-69.5-37.9-176.3-75.3-124.4000111.9T48 I49 A55 A56 S407 I409T48-D52 WeakPolarHBondContact CB-OD2 3.41Å; T48-D52 WeakPolarHBondContact O-CB 3.38Å; T48-D52 PolarHBondContact O-N 3.05Å; I49-D52 PolarHBondContact O-N 3.12Å; D52-A55 PolarHBondContact O-N 3.2Å; D52-A56 VanDerWaalsContact O-CB 3.3Å; D52-A56 WeakPolarHBondContact O-CB 3.46Å; D52-A56 PolarHBondContact O-N 2.96Å; D52-S407 WeakPolarHBondContact OD1-CA 3.45Å; D52-S407 WeakPolarHBondContact OD1-CB 3.5Å; D52-S407 PolarHBondContact OD1-OG 3.48Å; D52-I409 HydrophobicContact CB-CD1 4.11Å
53L93.6Very high92.7Very high110 Ų11054.2 Ų54.258%0.57629%0.29SS*.Hα-helixtrans-65-43.9172.1-73.7175000111.7I49 A56 Y57I49-L53 HydrophobicContact CD1-CD1 4.33Å; I49-L53 HydrophobicContact CD1-CD2 4.44Å; I49-L53 HydrophobicContact CD1-CG 4.04Å; I49-L53 HydrophobicContact CG1-CD1 3.89Å; I49-L53 HydrophobicContact CG1-CG 4.07Å; I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.35Å; I49-L53 WeakPolarHBondContact O-CG 3.45Å; I49-L53 PolarHBondContact O-N 2.81Å; L53-A56 PolarHBondContact O-N 3.31Å; L53-Y57 PolarHBondContact O-N 3.35Å
54H94.8Very high93.1Very high31 Ų3156.7 Ų56.714%0.14430%0.303CS..Hα-helixtrans-59.9-46.9174.9176.868.2000111.2G50 R51 A56 Y57 V58 G273G50-H54 WeakPolarHBondContact O-CB 3.47Å; G50-H54 PolarHBondContact O-N 3.46Å; G50-H54 VanDerWaalsContact O-N 3.09Å; R51-H54 PolarHBondContact O-N 3Å; H54-A56 PolarHBondContact O-N 3.01Å; H54-Y57 WeakPolarHBondContact O-CB 3.43Å; H54-Y57 PolarHBondContact O-N 3.47Å; H54-V58 VanDerWaalsContact O-CG2 3.29Å; H54-V58 WeakPolarHBondContact O-CG2 3.5Å; H54-V58 PolarHBondContact O-N 3.49Å; H54-G273 PolarHBondContact NE2-O 3.23Å
55A93.3Very high93.4Very high8 Ų857.1 Ų57.17%0.06631%0.305CS..Hα-helixtrans-65.7-37.6176.900000113.1R51 D52 Y57 V58 L59 F396 F405R51-A55 PolarHBondContact O-N 2.97Å; D52-A55 PolarHBondContact O-N 3.2Å; A55-Y57 VanDerWaalsContact C-N 3.34Å; A55-Y57 PolarHBondContact O-N 3.04Å; A55-V58 PolarHBondContact O-N 2.95Å; A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 VanDerWaalsContact O-CG 3.28Å; A55-L59 WeakPolarHBondContact O-CG 3.38Å; A55-L59 PolarHBondContact O-N 3.49Å; A55-F396 HydrophobicContact CB-CD2 4.06Å; A55-F396 HydrophobicContact CB-CE2 4.16Å; A55-F405 HydrophobicContact CB-CE1 4.12Å; A55-F405 HydrophobicContact CB-CE2 4.46Å; A55-F405 HydrophobicContact CB-CZ 3.46Å; A55-F405 VanDerWaalsContact CB-CZ 3.46Å
56A92.3Very high93.8Very high43 Ų4355.6 Ų55.636%0.35530%0.297SS..Hα-helixtrans-60.9-43.717400000111.3D52 L53 H54 L59 L60D52-A56 VanDerWaalsContact O-CB 3.3Å; D52-A56 WeakPolarHBondContact O-CB 3.46Å; D52-A56 PolarHBondContact O-N 2.96Å; L53-A56 PolarHBondContact O-N 3.31Å; H54-A56 PolarHBondContact O-N 3.01Å; A56-L59 PolarHBondContact O-N 3.17Å; A56-L60 VanDerWaalsContact O-CB 3.25Å; A56-L60 WeakPolarHBondContact O-CB 3.2Å; A56-L60 PolarHBondContact O-N 2.83Å
57Y94.4Very high94Very high121 Ų12158.1 Ų58.148%0.47529%0.293SS..Hα-helixtrans-59.6-48.1173.5165.5-104.9000111.9L53 H54 A55 L60 R61L53-Y57 PolarHBondContact O-N 3.35Å; H54-Y57 WeakPolarHBondContact O-CB 3.43Å; H54-Y57 PolarHBondContact O-N 3.47Å; A55-Y57 VanDerWaalsContact C-N 3.34Å; A55-Y57 PolarHBondContact O-N 3.04Å; Y57-L60 PolarHBondContact O-N 3.18Å; Y57-R61 WeakPolarHBondContact O-CB 3.23Å; Y57-R61 PolarHBondContact O-N 3.25Å; Y57-R61 PolarHBondContact OH-NH1 3.19Å
58V94.4Very high94.2Very high0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-58.9-50.7177.6169.80000111H54 A55 L60 R61 V62 L269H54-V58 VanDerWaalsContact O-CG2 3.29Å; H54-V58 WeakPolarHBondContact O-CG2 3.5Å; H54-V58 PolarHBondContact O-N 3.49Å; A55-V58 PolarHBondContact O-N 2.95Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3Å; V58-R61 PolarHBondContact O-N 3.39Å; V58-V62 HydrophobicContact CG1-CG2 4.49Å; V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 2.93Å; V58-L269 HydrophobicContact CG1-CD1 4.02Å
59L92.4Very high94.3Very high60 Ų6056.6 Ų56.631%0.31428%0.283SS..Hα-helixtrans-62.4-41179.6-72.2176000111.9A55 A56 K63 L269 I413A55-L59 WeakPolarHBondContact O-CB 3.43Å; A55-L59 VanDerWaalsContact O-CG 3.28Å; A55-L59 WeakPolarHBondContact O-CG 3.38Å; A55-L59 PolarHBondContact O-N 3.49Å; A56-L59 PolarHBondContact O-N 3.17Å; L59-K63 WeakPolarHBondContact O-CB 3.14Å; L59-K63 PolarHBondContact O-N 2.81Å; L59-L269 HydrophobicContact CD2-CD1 4.37Å; L59-I413 HydrophobicContact CD1-CG2 4.17Å
60L93.9Very high94.5Very high100 Ų10056.3 Ų56.352%0.52429%0.285SS..Hα-helixtrans-63.5-47.6176.6-17961.5000110.8A56 Y57 V58 K63 L64A56-L60 VanDerWaalsContact O-CB 3.25Å; A56-L60 WeakPolarHBondContact O-CB 3.2Å; A56-L60 PolarHBondContact O-N 2.83Å; Y57-L60 PolarHBondContact O-N 3.18Å; V58-L60 VanDerWaalsContact C-N 3.35Å; V58-L60 PolarHBondContact O-N 3Å; L60-K63 PolarHBondContact O-N 2.94Å; L60-L64 HydrophobicContact CD1-CD1 4.25Å; L60-L64 HydrophobicContact CD1-CG 4.23Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 HydrophobicContact CG-CG 4.47Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.91Å
61R95.8Very high94.6Very high97 Ų9762.9 Ų62.937%0.36629%0.293SS..Hα-helixtrans-60.8-48179.1-170.9171.9-174.3179.2-3.2111.8Y57 V58 K63 L64 N65 Y272Y57-R61 WeakPolarHBondContact O-CB 3.23Å; Y57-R61 PolarHBondContact O-N 3.25Å; Y57-R61 PolarHBondContact OH-NH1 3.19Å; V58-R61 PolarHBondContact O-N 3.39Å; R61-K63 VanDerWaalsContact C-N 3.35Å; R61-K63 PolarHBondContact O-N 3.44Å; R61-L64 PolarHBondContact O-N 3.11Å; R61-N65 PolarHBondContact O-N 2.92Å; R61-Y272 HydrophobicContact CG-CE2 4.31Å; R61-Y272 VanDerWaalsContact NE-CE1 3.26Å
62V94.9Very high94.6Very high4 Ų465.2 Ų65.22%0.02431%0.306CS..Hα-helixtrans-60.8-44.6175.8173.30000110.7V58 L64 N65 V66 R265 A268 Y272 L457V58-V62 HydrophobicContact CG1-CG2 4.49Å; V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 2.93Å; V62-L64 PolarHBondContact O-N 3.05Å; V62-N65 PolarHBondContact O-N 3.03Å; V62-V66 HydrophobicContact CG1-CG2 4.25Å; V62-V66 WeakPolarHBondContact O-CB 3.33Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 3.16Å; V62-R265 HydrophobicContact CG1-CG 4.43Å; V62-A268 HydrophobicContact CG2-CB 4.15Å; V62-Y272 HydrophobicContact CG2-CD2 3.77Å; V62-Y272 HydrophobicContact CG2-CE2 4.31Å; V62-L457 HydrophobicContact CG1-CD2 4.23Å
63K93.6Very high94.8Very high90 Ų9069.8 Ų69.839%0.39133%0.325SS..Hα-helixtrans-62-42.4179-177.2178.8-176.9-176.80112.5L59 L60 R61 K67 L457L59-K63 WeakPolarHBondContact O-CB 3.14Å; L59-K63 PolarHBondContact O-N 2.81Å; L60-K63 PolarHBondContact O-N 2.94Å; R61-K63 VanDerWaalsContact C-N 3.35Å; R61-K63 PolarHBondContact O-N 3.44Å; K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 WeakPolarHBondContact O-CG 3.08Å; K63-K67 PolarHBondContact O-N 3.48Å; K63-L457 HydrophobicContact CB-CD1 3.93Å; K63-L457 HydrophobicContact CG-CD1 3.89Å
64L96.1Very high94.9Very high99 Ų9965.2 Ų65.252%0.51830%0.301SS..Hα-helixtrans-63.9-45.3176.9-70.5173.3000111.2L60 R61 V62 K67 R68L60-L64 HydrophobicContact CD1-CD1 4.25Å; L60-L64 HydrophobicContact CD1-CG 4.23Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 HydrophobicContact CG-CG 4.47Å; L60-L64 VanDerWaalsContact O-CG 3.28Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.91Å; R61-L64 PolarHBondContact O-N 3.11Å; V62-L64 PolarHBondContact O-N 3.05Å; L64-K67 PolarHBondContact O-N 3.34Å; L64-R68 PolarHBondContact O-N 3.23Å
65N96.3Very high95Very high32 Ų3264.1 Ų64.117%0.17130%0.297CS..Hα-helixtrans-65.5-42177.4-70.7-15.5000112.5R61 V62 K67 R68 H69 Y264 Y272R61-N65 PolarHBondContact O-N 2.92Å; V62-N65 PolarHBondContact O-N 3.03Å; N65-K67 VanDerWaalsContact C-N 3.35Å; N65-K67 PolarHBondContact O-N 3.13Å; N65-R68 WeakPolarHBondContact O-CB 3.44Å; N65-R68 PolarHBondContact O-N 3.22Å; N65-H69 PolarHBondContact O-CD2 3.36Å; N65-H69 PolarHBondContact O-N 2.96Å; N65-Y264 HydrophobicContact CB-CE1 3.97Å; N65-Y264 WeakPolarHBondContact CB-OH 3.49Å; N65-Y264 PolarHBondContact ND2-OH 3.4Å; N65-Y272 PolarHBondContact ND2-OH 2.85Å
66V95.3Very high95.2Very high5 Ų563.9 Ų63.93%0.0329%0.294CS..Hα-helixtrans-60.2-46.2175164.10000110.3V62 R68 H69 V70 F237 Y264 P456 L457V62-V66 HydrophobicContact CG1-CG2 4.25Å; V62-V66 WeakPolarHBondContact O-CB 3.33Å; V62-V66 WeakPolarHBondContact O-CG2 3.42Å; V62-V66 PolarHBondContact O-N 3.16Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.23Å; V66-H69 PolarHBondContact O-N 3.45Å; V66-V70 HydrophobicContact CG1-CG2 4.36Å; V66-V70 VanDerWaalsContact O-CG2 3.28Å; V66-V70 WeakPolarHBondContact O-CG2 3.24Å; V66-V70 PolarHBondContact O-N 3.44Å; V66-F237 HydrophobicContact CB-CE1 4.33Å; V66-F237 HydrophobicContact CG1-CE1 4.13Å; V66-F237 HydrophobicContact CG2-CE1 4.17Å; V66-Y264 HydrophobicContact CG2-CD1 3.97Å; V66-Y264 HydrophobicContact CG2-CE1 4.14Å; V66-P456 HydrophobicContact CG1-CB 4.07Å; V66-L457 HydrophobicContact CB-CD2 4.34Å; V66-L457 HydrophobicContact CG1-CD2 4.28Å; V66-L457 HydrophobicContact CG1-CG 4.36Å; V66-L457 HydrophobicContact CG2-CD2 3.91Å
67K95.2Very high95.5Very high133 Ų13362.4 Ų62.458%0.57828%0.281SS*.Hα-helixtrans-57.9-42.9174.8-79.9-174171.2-165.50112.3K63 L64 N65 R71K63-K67 WeakPolarHBondContact O-CB 3.36Å; K63-K67 WeakPolarHBondContact O-CG 3.08Å; K63-K67 PolarHBondContact O-N 3.48Å; L64-K67 PolarHBondContact O-N 3.34Å; N65-K67 VanDerWaalsContact C-N 3.35Å; N65-K67 PolarHBondContact O-N 3.13Å; K67-R71 WeakPolarHBondContact O-CB 3.38Å; K67-R71 PolarHBondContact O-N 3.13Å
68R96.6Very high95.6Very high91 Ų9158.7 Ų58.734%0.34327%0.267SS..Hα-helixtrans-58.3-52.3175.5-176.8-175.871.7143.94.5111.1L64 N65 V66 V70 R71 E72 E82L64-R68 PolarHBondContact O-N 3.23Å; N65-R68 WeakPolarHBondContact O-CB 3.44Å; N65-R68 PolarHBondContact O-N 3.22Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.23Å; R68-V70 PolarHBondContact O-N 3.27Å; R68-R71 PolarHBondContact O-N 3.49Å; R68-E72 WeakPolarHBondContact CG-OE1 3.47Å; R68-E72 WeakPolarHBondContact O-CB 3.39Å; R68-E72 PolarHBondContact O-N 3.03Å; R68-E82 IonicContact NH2-OE2 2.77Å
69H96.8Very high95.8Very high1 Ų158.9 Ų58.91%0.00527%0.268CS..Hα-helixtrans-66.8-34.4-177.4-69.9-53.8000113.5N65 V66 K73 N74 F237 Y264N65-H69 PolarHBondContact O-CD2 3.36Å; N65-H69 PolarHBondContact O-N 2.96Å; V66-H69 PolarHBondContact O-N 3.45Å; H69-K73 PolarHBondContact O-N 3.05Å; H69-K73 VanDerWaalsContact O-N 3.11Å; H69-N74 HydrophobicContact CB-CB 4.01Å; H69-N74 WeakPolarHBondContact ND1-CB 3.41Å; H69-N74 PolarHBondContact ND1-ND2 2.69Å; H69-N74 PolarHBondContact O-N 3.15Å; H69-F237 HydrophobicContact CB-CD1 3.76Å; H69-F237 HydrophobicContact CB-CD2 3.96Å; H69-F237 HydrophobicContact CB-CE1 3.65Å; H69-F237 HydrophobicContact CB-CE2 3.86Å; H69-F237 HydrophobicContact CB-CG 3.88Å; H69-F237 HydrophobicContact CB-CZ 3.67Å; H69-Y264 AromaticContact CD2-CE2 3.85Å; H69-Y264 AromaticContact CD2-CZ 3.84Å; H69-Y264 AromaticContact NE2-CE2 3.6Å; H69-Y264 AromaticContact NE2-CZ 3.8Å
70V95.2Very high96.1Very high63 Ų6356 Ų5638%0.38225%0.253SS..Hα-helixtrans-61.4-51170.2172.80000110.5V66 R68 E72 K73 F237 P456V66-V70 HydrophobicContact CG1-CG2 4.36Å; V66-V70 VanDerWaalsContact O-CG2 3.28Å; V66-V70 WeakPolarHBondContact O-CG2 3.24Å; V66-V70 PolarHBondContact O-N 3.44Å; R68-V70 PolarHBondContact O-N 3.27Å; V70-E72 VanDerWaalsContact C-N 3.32Å; V70-E72 PolarHBondContact O-N 2.84Å; V70-K73 PolarHBondContact O-N 3.29Å; V70-K73 VanDerWaalsContact O-N 3.16Å; V70-F237 HydrophobicContact CG2-CD1 3.79Å; V70-P456 HydrophobicContact CG2-CG 3.9Å
71R95.4Very high96.3Very high188 Ų18852.1 Ų52.171%0.70924%0.235SC*.Hα-helixtrans-60.3-40.9-178.4-177-175.165.8-175.91112.2K67 R68 K73K67-R71 WeakPolarHBondContact O-CB 3.38Å; K67-R71 PolarHBondContact O-N 3.13Å; R68-R71 PolarHBondContact O-N 3.49Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 3.41Å
72E95.1Very high96.4Very high78 Ų7850.1 Ų50.136%0.36423%0.23SC..THydrogen-bonded Turntrans-850.1-178.5-70164.1-164.100113.4R68 V70 N74R68-E72 WeakPolarHBondContact CG-OE1 3.47Å; R68-E72 WeakPolarHBondContact O-CB 3.39Å; R68-E72 PolarHBondContact O-N 3.03Å; V70-E72 VanDerWaalsContact C-N 3.32Å; V70-E72 PolarHBondContact O-N 2.84Å; E72-N74 PolarHBondContact O-N 2.89Å; E72-N74 PolarHBondContact OE2-ND2 3.29Å
73K94.9Very high96.6Very high112 Ų11249.9 Ų49.949%0.48723%0.229SC..THydrogen-bonded Turntrans48.343.8-172.5-58-177.6174.3-171.10111.4H69 V70 R71 K78 C236H69-K73 PolarHBondContact O-N 3.05Å; H69-K73 VanDerWaalsContact O-N 3.11Å; V70-K73 PolarHBondContact O-N 3.29Å; V70-K73 VanDerWaalsContact O-N 3.16Å; R71-K73 VanDerWaalsContact C-N 3.28Å; R71-K73 PolarHBondContact O-N 3.41Å; K73-K78 PolarHBondContact O-NZ 2.63Å; K73-C236 HydrophobicContact CB-CB 4.19Å; K73-C236 HydrophobicContact CG-CB 4.28Å
74N96.1Very high96.8Very high13 Ų1346.5 Ų46.57%0.0722%0.216CC..  trans-72.5134.4179.1-82.1-20.6000109.5H69 E72 I79 F237H69-N74 HydrophobicContact CB-CB 4.01Å; H69-N74 WeakPolarHBondContact ND1-CB 3.41Å; H69-N74 PolarHBondContact ND1-ND2 2.69Å; H69-N74 PolarHBondContact O-N 3.15Å; E72-N74 PolarHBondContact O-N 2.89Å; E72-N74 PolarHBondContact OE2-ND2 3.29Å; N74-I79 HydrophobicContact CB-CG1 4.25Å; N74-F237 VanDerWaalsContact O-CA 3.23Å; N74-F237 WeakPolarHBondContact O-CA 3.15Å; N74-F237 WeakPolarHBondContact O-CB 3.41Å; N74-F237 WeakPolarHBondContact O-CD2 3.39Å; N74-F237 PolarHBondContact O-N 3.32Å
75T97.3Very high96.9Very high9 Ų949.7 Ų49.76%0.05523%0.228CC..  trans-104.7166.6169.959.50000108.7P77 K78 I79 R235T75-P77 VanDerWaalsContact C-N 3.34Å; T75-K78 WeakPolarHBondContact O-CB 3.43Å; T75-K78 PolarHBondContact O-N 3.43Å; T75-I79 WeakPolarHBondContact O-CG1 3.4Å; T75-I79 PolarHBondContact O-N 3Å; T75-R235 HydrophobicContact CG2-CB 3.78Å; T75-R235 WeakPolarHBondContact CG2-O 3.47Å
76L97.8Very high97Very high3 Ų355.3 Ų55.32%0.01625%0.247CC..Hα-helixtrans-56.8-42.6177.1-96.1-59.7000113.3K78 I79 F80 L241 H260 Y263 I303L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 2.92Å; L76-I79 PolarHBondContact O-N 3.43Å; L76-F80 WeakPolarHBondContact O-CB 3.48Å; L76-F80 PolarHBondContact O-N 3.42Å; L76-L241 HydrophobicContact CD2-CD2 4.49Å; L76-L241 HydrophobicContact CG-CD2 4.29Å; L76-H260 HydrophobicContact CD2-CB 3.55Å; L76-H260 WeakPolarHBondContact CD2-O 3.34Å; L76-H260 PolarHBondContact N-ND1 3.1Å; L76-H260 VanDerWaalsContact N-ND1 3.16Å; L76-Y263 HydrophobicContact CD1-CD1 3.58Å; L76-Y263 HydrophobicContact CD1-CE1 3.9Å; L76-Y263 HydrophobicContact CD1-CG 4.46Å; L76-Y263 HydrophobicContact CD2-CD1 4.2Å; L76-Y263 HydrophobicContact CD2-CG 4.37Å; L76-Y263 HydrophobicContact CG-CD1 3.75Å; L76-Y263 HydrophobicContact CG-CE1 4.3Å; L76-Y263 HydrophobicContact CG-CG 4.16Å; L76-I303 HydrophobicContact CD1-CD1 3.97Å; L76-I303 HydrophobicContact CD1-CG1 3.88Å
77P98.1Very high97.1Very high12 Ų1257.3 Ų57.38%0.07826%0.255CS..Hα-helixtrans-58.6-35.6173.1-27.834.9000114.6T75 F80 A81 L144 A147 K148T75-P77 VanDerWaalsContact C-N 3.34Å; P77-F80 PolarHBondContact O-N 2.99Å; P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.94Å; P77-L144 HydrophobicContact CG-CD1 4.27Å; P77-A147 HydrophobicContact CG-CB 3.78Å; P77-K148 HydrophobicContact CB-CG 3.72Å; P77-K148 HydrophobicContact CG-CG 4.1Å
78K97.1Very high97.2Very high42 Ų4251.3 Ų51.318%0.18323%0.231CC..Hα-helixtrans-66.2-44.4174.4-71.6176.5-179173.70111.2K73 T75 L76 F80 A81 E82K73-K78 PolarHBondContact O-NZ 2.63Å; T75-K78 WeakPolarHBondContact O-CB 3.43Å; T75-K78 PolarHBondContact O-N 3.43Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 2.92Å; K78-F80 VanDerWaalsContact C-N 3.33Å; K78-F80 PolarHBondContact O-N 2.94Å; K78-A81 WeakPolarHBondContact O-CB 3.37Å; K78-A81 PolarHBondContact O-N 3.18Å; K78-E82 PolarHBondContact O-N 2.74Å
79I98.1Very high97.3Very high4 Ų452.8 Ų52.82%0.02125%0.246CC..Hα-helixtrans-62.9-42.4176.7-62.1171.6000110.4N74 T75 L76 A81 E82 T83 F237 Y264 I303N74-I79 HydrophobicContact CB-CG1 4.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.4Å; T75-I79 PolarHBondContact O-N 3Å; L76-I79 PolarHBondContact O-N 3.43Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.15Å; I79-E82 WeakPolarHBondContact O-CB 3.3Å; I79-E82 PolarHBondContact O-N 3.01Å; I79-T83 PolarHBondContact O-N 3.36Å; I79-T83 VanDerWaalsContact O-N 3.12Å; I79-T83 PolarHBondContact O-OG1 2.87Å; I79-F237 HydrophobicContact CD1-CE2 3.95Å; I79-Y264 HydrophobicContact CD1-CD2 3.85Å; I79-Y264 HydrophobicContact CD1-CE2 4.36Å; I79-I303 HydrophobicContact CG2-CG1 4.36Å; I79-I303 HydrophobicContact CG2-CG2 4.15Å
80F98.6Very high97.4Very high1 Ų155.2 Ų55.20%0.00426%0.257CS..Hα-helixtrans-62.4-40.7175.7177.7-112.3000111.9L76 P77 K78 E82 T83 V84 F104 L107 D108 L144 L302L76-F80 WeakPolarHBondContact O-CB 3.48Å; L76-F80 PolarHBondContact O-N 3.42Å; P77-F80 PolarHBondContact O-N 2.99Å; K78-F80 VanDerWaalsContact C-N 3.33Å; K78-F80 PolarHBondContact O-N 2.94Å; F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 PolarHBondContact O-N 3.05Å; F80-T83 CarbonylContact O-C 3.56Å; F80-T83 WeakPolarHBondContact O-CA 3.19Å; F80-T83 VanDerWaalsContact O-CB 3.3Å; F80-T83 WeakPolarHBondContact O-CB 3.38Å; F80-T83 PolarHBondContact O-N 3.28Å; F80-V84 HydrophobicContact CD1-CG2 3.87Å; F80-V84 HydrophobicContact CD2-CG2 4.24Å; F80-V84 HydrophobicContact CE1-CG2 3.45Å; F80-V84 VanDerWaalsContact CE1-CG2 3.45Å; F80-V84 HydrophobicContact CE2-CG2 3.87Å; F80-V84 HydrophobicContact CG-CG2 4.27Å; F80-V84 HydrophobicContact CZ-CG2 3.45Å; F80-V84 VanDerWaalsContact CZ-CG2 3.45Å; F80-V84 WeakPolarHBondContact O-CG2 3.47Å; F80-V84 PolarHBondContact O-N 3.27Å; F80-F104 AromaticContact CE2-CD1 3.74Å; F80-F104 HydrophobicContact CE2-CD1 3.74Å; F80-F104 HydrophobicContact CE2-CE1 4.19Å; F80-F104 HydrophobicContact CZ-CD1 4.37Å; F80-L107 HydrophobicContact CE2-CD2 4.05Å; F80-L107 HydrophobicContact CZ-CB 4.24Å; F80-L107 HydrophobicContact CZ-CD2 3.8Å; F80-L107 HydrophobicContact CZ-CG 3.87Å; F80-D108 HydrophobicContact CE1-CB 3.84Å; F80-D108 WeakPolarHBondContact CE1-OD1 3.36Å; F80-D108 HydrophobicContact CZ-CB 4.46Å; F80-L144 HydrophobicContact CD1-CD2 3.65Å; F80-L144 HydrophobicContact CE1-CD2 3.62Å; F80-L144 HydrophobicContact CG-CD2 4.15Å; F80-L144 HydrophobicContact CZ-CD2 4.13Å; F80-L302 HydrophobicContact CD2-CB 4Å; F80-L302 HydrophobicContact CD2-CD2 3.59Å; F80-L302 HydrophobicContact CD2-CG 4.37Å; F80-L302 HydrophobicContact CE2-CD2 3.5Å; F80-L302 HydrophobicContact CG-CD2 4.42Å; F80-L302 HydrophobicContact CZ-CD2 4.31Å
81A98Very high97.6Very high17 Ų1754.1 Ų54.114%0.1425%0.25CC..Hα-helixtrans-59.7-38174.700000112.4P77 K78 I79 T83 V84 Q85P77-A81 WeakPolarHBondContact O-CB 3.24Å; P77-A81 PolarHBondContact O-N 2.94Å; K78-A81 WeakPolarHBondContact O-CB 3.37Å; K78-A81 PolarHBondContact O-N 3.18Å; I79-A81 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.15Å; A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 2.79Å; A81-V84 PolarHBondContact O-N 3.28Å; A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 3.33Å
82E97.8Very high97.8Very high55 Ų5545.1 Ų45.126%0.25722%0.216SC..Hα-helixtrans-64-33.3171.6-64.3172.3-159.900112.1R68 K78 I79 F80 R86R68-E82 IonicContact NH2-OE2 2.77Å; K78-E82 PolarHBondContact O-N 2.74Å; I79-E82 WeakPolarHBondContact O-CB 3.3Å; I79-E82 PolarHBondContact O-N 3.01Å; F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 PolarHBondContact O-N 3.05Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å; E82-R86 PolarHBondContact O-NE 2.7Å
83T98.5Very high97.9Very high0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-70.9-43.8173.8-55.80000111.4I79 F80 A81 Q85 R86 H87 F104 L302 I303I79-T83 PolarHBondContact O-N 3.36Å; I79-T83 VanDerWaalsContact O-N 3.12Å; I79-T83 PolarHBondContact O-OG1 2.87Å; F80-T83 CarbonylContact O-C 3.56Å; F80-T83 WeakPolarHBondContact O-CA 3.19Å; F80-T83 VanDerWaalsContact O-CB 3.3Å; F80-T83 WeakPolarHBondContact O-CB 3.38Å; F80-T83 PolarHBondContact O-N 3.28Å; A81-T83 VanDerWaalsContact C-N 3.29Å; A81-T83 PolarHBondContact O-N 2.79Å; T83-Q85 VanDerWaalsContact C-N 3.31Å; T83-Q85 PolarHBondContact O-N 3.37Å; T83-R86 PolarHBondContact O-N 3.12Å; T83-R86 VanDerWaalsContact O-N 3.09Å; T83-H87 PolarHBondContact O-N 3.05Å; T83-F104 HydrophobicContact CG2-CD1 3.93Å; T83-F104 HydrophobicContact CG2-CE1 3.62Å; T83-F104 HydrophobicContact CG2-CZ 4.3Å; T83-L302 WeakPolarHBondContact CB-O 3.14Å; T83-L302 PolarHBondContact OG1-O 3.01Å; T83-I303 PolarHBondContact OG1-O 3.22Å
84V98.6Very high98.1Very high19 Ų1936.5 Ų36.512%0.11518%0.178CC..Hα-helixtrans-61.6-39.6176.7175.60000110.9F80 A81 R86 H87 G88 F104 D108F80-V84 HydrophobicContact CD1-CG2 3.87Å; F80-V84 HydrophobicContact CD2-CG2 4.24Å; F80-V84 HydrophobicContact CE1-CG2 3.45Å; F80-V84 VanDerWaalsContact CE1-CG2 3.45Å; F80-V84 HydrophobicContact CE2-CG2 3.87Å; F80-V84 HydrophobicContact CG-CG2 4.27Å; F80-V84 HydrophobicContact CZ-CG2 3.45Å; F80-V84 VanDerWaalsContact CZ-CG2 3.45Å; F80-V84 WeakPolarHBondContact O-CG2 3.47Å; F80-V84 PolarHBondContact O-N 3.27Å; A81-V84 PolarHBondContact O-N 3.28Å; V84-R86 PolarHBondContact O-N 2.84Å; V84-H87 PolarHBondContact O-N 3.33Å; V84-G88 WeakPolarHBondContact O-CA 3.36Å; V84-G88 PolarHBondContact O-N 2.95Å; V84-F104 HydrophobicContact CG2-CB 4.22Å; V84-D108 HydrophobicContact CG1-CB 4.28Å; V84-D108 HydrophobicContact CG2-CB 4Å
85Q98.2Very high98.2Very high165 Ų16536.8 Ų36.877%0.77118%0.178SC*.Hα-helixtrans-60.6-34.7175-75.7175.12.900112.8A81 T83A81-Q85 WeakPolarHBondContact O-CG 3.4Å; A81-Q85 PolarHBondContact O-N 3.33Å; T83-Q85 VanDerWaalsContact C-N 3.31Å; T83-Q85 PolarHBondContact O-N 3.37Å
86R98.1Very high98.2Very high151 Ų15138.1 Ų38.157%0.5718%0.184SC*.Hα-helixtrans-86.1-30.9-179-70.2179.7-71.1155.92.4113.7E82 T83 V84E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.37Å; E82-R86 PolarHBondContact O-NE 2.7Å; T83-R86 PolarHBondContact O-N 3.12Å; T83-R86 VanDerWaalsContact O-N 3.09Å; V84-R86 PolarHBondContact O-N 2.84Å
87H97.9Very high97.8Very high46 Ų4640.1 Ų40.121%0.21321%0.206CC..Hα-helixtrans-131.421.8-168.2-58.8-62.4000113.6T83 V84 D89 K90 F104T83-H87 PolarHBondContact O-N 3.05Å; V84-H87 PolarHBondContact O-N 3.33Å; H87-D89 VanDerWaalsContact C-N 3.28Å; H87-D89 PolarHBondContact O-N 3.12Å; H87-K90 HydrophobicContact CB-CB 4.18Å; H87-K90 HydrophobicContact CB-CD 4.41Å; H87-K90 VanDerWaalsContact O-CB 3.26Å; H87-K90 WeakPolarHBondContact O-CB 3.28Å; H87-K90 PolarHBondContact O-N 3.26Å; H87-F104 HydrophobicContact CB-CD2 3.81Å; H87-F104 HydrophobicContact CB-CE2 4.09Å; H87-F104 HydrophobicContact CB-CG 4.27Å; H87-F104 WeakPolarHBondContact O-CB 3.19Å; H87-F104 VanDerWaalsContact O-CD2 3.24Å; H87-F104 WeakPolarHBondContact O-CD2 3.16Å
88G97.8Very high97.5Very high7 Ų744.2 Ų44.27%0.07223%0.23CC..THydrogen-bonded Turntrans-48.5-42.6-167.700000115.6V84 T103 F104 R105V84-G88 WeakPolarHBondContact O-CA 3.36Å; V84-G88 PolarHBondContact O-N 2.95Å; G88-T103 WeakPolarHBondContact O-CB 3.42Å; G88-F104 PolarHBondContact O-N 3.33Å; G88-R105 WeakPolarHBondContact O-CB 3.16Å; G88-R105 PolarHBondContact O-N 3.05Å
89D98.5Very high97.4Very high123 Ų12343.5 Ų43.566%0.65824%0.235SC*.THydrogen-bonded Turntrans-92.8-6-176-51.1-37.2000113.2H87 T103 R105H87-D89 VanDerWaalsContact C-N 3.28Å; H87-D89 PolarHBondContact O-N 3.12Å; D89-T103 WeakPolarHBondContact O-CG2 3.34Å; D89-R105 IonicContact OD1-CZ 3.72Å; D89-R105 IonicContact OD1-NE 2.82Å; D89-R105 PolarHBondContact OD1-NE 2.87Å; D89-R105 VanDerWaalsContact OD1-NE 3.16Å; D89-R105 IonicContact OD1-NH2 3.43Å; D89-R105 PolarHBondContact OD1-NH2 2.62Å; D89-R105 IonicContact OD2-NH2 3.81Å
90K98.6Very high97.3Very high52 Ų5247 Ų4723%0.22625%0.251CS..SBendtrans-71.4143.3173.6-175.5-178.3176.1177.20109.8H87 A92 T103 F104 P278 G305H87-K90 HydrophobicContact CB-CB 4.18Å; H87-K90 HydrophobicContact CB-CD 4.41Å; H87-K90 VanDerWaalsContact O-CB 3.26Å; H87-K90 WeakPolarHBondContact O-CB 3.28Å; H87-K90 PolarHBondContact O-N 3.26Å; K90-A92 PolarHBondContact O-N 3.28Å; K90-T103 CarbonylContact O-C 3.53Å; K90-T103 WeakPolarHBondContact O-CA 3.44Å; K90-T103 WeakPolarHBondContact O-CB 3.46Å; K90-F104 HydrophobicContact CB-CD2 4.1Å; K90-F104 HydrophobicContact CB-CE2 4.35Å; K90-F104 HydrophobicContact CD-CE2 4.28Å; K90-F104 HydrophobicContact CG-CE2 4.38Å; K90-F104 WeakPolarHBondContact O-CD2 3.33Å; K90-F104 PolarHBondContact O-N 3.08Å; K90-P278 VanDerWaalsContact NZ-C 3.34Å; K90-P278 PolarHBondContact NZ-O 2.76Å; K90-G305 WeakPolarHBondContact CE-O 3.35Å; K90-G305 PolarHBondContact NZ-O 3.17Å
91T98.8Very high97.3Very high39 Ų3953.7 Ų53.724%0.23928%0.276CS..EExtended strand (participates in β ladder)trans-60.3123.5169.4-54.30000110.3I94 R101 T307T91-I94 HydrophobicContact CG2-CD1 4.13Å; T91-I94 HydrophobicContact CG2-CG1 3.64Å; T91-R101 HydrophobicContact CG2-CB 4.05Å; T91-T307 HydrophobicContact CG2-CG2 4.07Å; T91-T307 PolarHBondContact O-OG1 3.25Å
92A98.8Very high97.3Very high0 Ų053.9 Ų53.90%027%0.273CS..EExtended strand (participates in β ladder)trans-93.3-54176.300000110.8K90 W102 F104 L107 C301 T307 V308K90-A92 PolarHBondContact O-N 3.28Å; A92-W102 PolarHBondContact N-O 3.25Å; A92-F104 HydrophobicContact CB-CB 4.42Å; A92-F104 HydrophobicContact CB-CD1 3.94Å; A92-F104 HydrophobicContact CB-CD2 3.71Å; A92-F104 HydrophobicContact CB-CE1 3.96Å; A92-F104 HydrophobicContact CB-CE2 3.75Å; A92-F104 HydrophobicContact CB-CG 3.79Å; A92-F104 HydrophobicContact CB-CZ 3.85Å; A92-L107 HydrophobicContact CB-CD2 4.47Å; A92-C301 PolarHBondContact O-SG 3.31Å; A92-C301 VanDerWaalsContact O-SG 3.37Å; A92-T307 WeakPolarHBondContact O-CA 3.15Å; A92-V308 PolarHBondContact O-N 3.15Å
93L98.8Very high97.4Very high0 Ų052.7 Ų52.70%027%0.27CS..EExtended strand (participates in β ladder)trans-126.2139.2-174.6-57.9178.7000110.3R101 W102 L107 V140 C301 V308 I310L93-R101 WeakPolarHBondContact O-CA 3.38Å; L93-W102 HydrophobicContact CB-CB 4.49Å; L93-W102 PolarHBondContact N-O 3.37Å; L93-W102 VanDerWaalsContact N-O 3.12Å; L93-W102 PolarHBondContact O-N 3.16Å; L93-L107 HydrophobicContact CD1-CD1 4.11Å; L93-L107 HydrophobicContact CD1-CD2 3.88Å; L93-L107 HydrophobicContact CG-CD2 4.24Å; L93-V140 HydrophobicContact CD1-CB 3.89Å; L93-V140 HydrophobicContact CD1-CG1 4.19Å; L93-V140 HydrophobicContact CD1-CG2 3.98Å; L93-C301 HydrophobicContact CD2-CB 4.42Å; L93-V308 CarbonylContact C-O 3.57Å; L93-V308 WeakPolarHBondContact CA-O 3.41Å; L93-V308 HydrophobicContact CD2-CB 4.06Å; L93-I310 HydrophobicContact CB-CD1 4.49Å; L93-I310 HydrophobicContact CD1-CD1 4.19Å; L93-I310 HydrophobicContact CD2-CD1 3.99Å; L93-I310 HydrophobicContact CG-CD1 4.46Å
94I98.8Very high97.4Very high8 Ų852.7 Ų52.74%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-121.3123169-56-179.4000107.1T91 E100 R101 T307 V308 V309 I310 Y326T91-I94 HydrophobicContact CG2-CD1 4.13Å; T91-I94 HydrophobicContact CG2-CG1 3.64Å; I94-E100 CarbonylContact C-O 3.55Å; I94-E100 WeakPolarHBondContact CA-O 3.2Å; I94-R101 HydrophobicContact CG1-CG 4.1Å; I94-R101 HydrophobicContact CG2-CG 4.31Å; I94-T307 HydrophobicContact CD1-CG2 4.04Å; I94-T307 HydrophobicContact CG1-CG2 4.15Å; I94-V308 PolarHBondContact N-O 2.65Å; I94-V309 HydrophobicContact CB-CG2 4.19Å; I94-V309 HydrophobicContact CD1-CG2 4.24Å; I94-V309 CarbonylContact O-C 3.59Å; I94-V309 WeakPolarHBondContact O-CA 3.41Å; I94-I310 PolarHBondContact O-N 2.9Å; I94-Y326 HydrophobicContact CD1-CD1 4.46Å; I94-Y326 HydrophobicContact CG2-CD1 3.83Å; I94-Y326 HydrophobicContact CG2-CE1 3.74Å
95F98.3Very high97.4Very high19 Ų1957 Ų578%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-93.7114.5173.7-178.1-131.1000110G97 T98 G99 E100 N135 R136 I310 K312F95-G97 VanDerWaalsContact C-N 3.25Å; F95-G97 PolarHBondContact O-N 3.38Å; F95-T98 HydrophobicContact CD1-CG2 3.96Å; F95-T98 WeakPolarHBondContact CD1-OG1 3.06Å; F95-T98 HydrophobicContact CE1-CG2 4.03Å; F95-T98 PolarHBondContact O-N 3.2Å; F95-G99 VanDerWaalsContact O-CA 3.32Å; F95-G99 WeakPolarHBondContact O-CA 3.22Å; F95-G99 PolarHBondContact O-N 2.97Å; F95-E100 PolarHBondContact N-O 3.06Å; F95-N135 WeakPolarHBondContact CE2-O 3.36Å; F95-R136 HydrophobicContact CD2-CB 4.23Å; F95-R136 HydrophobicContact CE1-CB 4.31Å; F95-R136 HydrophobicContact CE2-CB 4Å; F95-R136 HydrophobicContact CG-CB 4.5Å; F95-R136 HydrophobicContact CZ-CB 4.03Å; F95-I310 HydrophobicContact CD2-CB 4.46Å; F95-I310 HydrophobicContact CD2-CG2 4.27Å; F95-I310 WeakPolarHBondContact CD2-O 3.5Å; F95-K312 HydrophobicContact CE2-CB 3.9Å; F95-K312 HydrophobicContact CZ-CB 3.96Å; F95-K312 HydrophobicContact CZ-CD 4.31Å; F95-K312 HydrophobicContact CZ-CG 4.3Å
96E96.5Very high97.4Very high37 Ų3753.4 Ų53.417%0.17327%0.267CS..THydrogen-bonded Turntrans-61.1-34.9-175.2174.6-85.5165.600112.8T98 V309 I310 R311 Y326E96-T98 VanDerWaalsContact C-N 3.27Å; E96-T98 PolarHBondContact O-N 3.48Å; E96-V309 HydrophobicContact CB-CG1 4.46Å; E96-I310 PolarHBondContact N-O 3.41Å; E96-R311 HydrophobicContact CB-CB 4.39Å; E96-R311 IonicContact OE1-CZ 3.7Å; E96-R311 IonicContact OE1-NH1 2.77Å; E96-R311 PolarHBondContact OE1-NH1 3.13Å; E96-R311 IonicContact OE1-NH2 3.19Å; E96-R311 IonicContact OE2-CZ 3.92Å; E96-R311 IonicContact OE2-NH1 3.48Å; E96-R311 PolarHBondContact OE2-NH1 3.05Å; E96-Y326 HydrophobicContact CB-CE2 4.08Å; E96-Y326 HydrophobicContact CG-CE2 3.83Å; E96-Y326 PolarHBondContact O-OH 3.03Å
97G88.9Confident97.5Very high46 Ų4646.2 Ų46.247%0.47424%0.24SC..THydrogen-bonded Turntrans-65.1-25.9-174.100000114.6F95F95-G97 VanDerWaalsContact C-N 3.25Å; F95-G97 PolarHBondContact O-N 3.38Å
98T93.4Very high97.5Very high97 Ų9745.2 Ų45.260%0.59524%0.236SC*.THydrogen-bonded Turntrans-120.3-15.5177.260.60000112.9F95 E96 E100F95-T98 HydrophobicContact CD1-CG2 3.96Å; F95-T98 WeakPolarHBondContact CD1-OG1 3.06Å; F95-T98 HydrophobicContact CE1-CG2 4.03Å; F95-T98 PolarHBondContact O-N 3.2Å; E96-T98 VanDerWaalsContact C-N 3.27Å; E96-T98 PolarHBondContact O-N 3.48Å; T98-E100 PolarHBondContact O-N 2.91Å; T98-E100 WeakPolarHBondContact OG1-CB 3.48Å; T98-E100 PolarHBondContact OG1-N 2.86Å
99G93.9Very high97.5Very high27 Ų2748.6 Ų48.628%0.27825%0.25SS..  trans75.63.4-16900000114F95F95-G99 VanDerWaalsContact O-CA 3.32Å; F95-G99 WeakPolarHBondContact O-CA 3.22Å; F95-G99 PolarHBondContact O-N 2.97Å
100E96.2Very high97.5Very high77 Ų7744.3 Ų44.336%0.3623%0.225SC..  trans-60.2140.3179.5-176.5179.8-161.200111.2I94 F95 T98 W102I94-E100 CarbonylContact C-O 3.55Å; I94-E100 WeakPolarHBondContact CA-O 3.2Å; F95-E100 PolarHBondContact N-O 3.06Å; T98-E100 PolarHBondContact O-N 2.91Å; T98-E100 WeakPolarHBondContact OG1-CB 3.48Å; T98-E100 PolarHBondContact OG1-N 2.86Å; E100-W102 PolarHBondContact OE1-NE1 3.11Å
101R98.5Very high97.6Very high143 Ų14341.9 Ų41.954%0.5421%0.214SC..EExtended strand (participates in β ladder)trans-124.2124.5-179.7-55.8-171.9179-167.2-1.4109.5T91 L93 I94T91-R101 HydrophobicContact CG2-CB 4.05Å; L93-R101 WeakPolarHBondContact O-CA 3.38Å; I94-R101 HydrophobicContact CG1-CG 4.1Å; I94-R101 HydrophobicContact CG2-CG 4.31Å
102W98.6Very high97.6Very high20 Ų2040.2 Ų40.28%0.07620%0.204CC..EExtended strand (participates in β ladder)trans-106.6130.6173.4-71.88.4000109.6A92 L93 E100 Q106 L107 Y110 Q138A92-W102 PolarHBondContact N-O 3.25Å; L93-W102 HydrophobicContact CB-CB 4.49Å; L93-W102 PolarHBondContact N-O 3.37Å; L93-W102 VanDerWaalsContact N-O 3.12Å; L93-W102 PolarHBondContact O-N 3.16Å; E100-W102 PolarHBondContact OE1-NE1 3.11Å; W102-Q106 HydrophobicContact CB-CB 4.4Å; W102-L107 HydrophobicContact CE3-CB 4.25Å; W102-L107 HydrophobicContact CE3-CD1 3.91Å; W102-L107 HydrophobicContact CZ3-CD1 4Å; W102-Y110 AromaticContact CH2-CD1 3.91Å; W102-Y110 HydrophobicContact CH2-CD1 3.91Å; W102-Y110 AromaticContact CH2-CD2 3.5Å; W102-Y110 HydrophobicContact CH2-CD2 3.5Å; W102-Y110 VanDerWaalsContact CH2-CD2 3.5Å; W102-Y110 HydrophobicContact CH2-CE1 4.2Å; W102-Y110 AromaticContact CH2-CE2 3.82Å; W102-Y110 HydrophobicContact CH2-CE2 3.82Å; W102-Y110 AromaticContact CH2-CG 3.55Å; W102-Y110 HydrophobicContact CH2-CG 3.55Å; W102-Y110 HydrophobicContact CZ2-CD2 4.22Å; W102-Y110 AromaticContact CZ3-CD1 3.91Å; W102-Y110 HydrophobicContact CZ3-CD1 3.91Å; W102-Y110 HydrophobicContact CZ3-CD2 4.16Å; W102-Y110 HydrophobicContact CZ3-CE1 4.48Å; W102-Y110 AromaticContact CZ3-CG 3.72Å; W102-Y110 HydrophobicContact CZ3-CG 3.72Å; W102-Q138 HydrophobicContact CH2-CB 4.48Å; W102-Q138 HydrophobicContact CH2-CG 3.89Å; W102-Q138 HydrophobicContact CZ2-CG 4.17Å
103T98.9Very high97.6Very high30 Ų3043.7 Ų43.718%0.18422%0.217CC..EExtended strand (participates in β ladder)trans-73.2165.6166.168.10000111.2G88 D89 K90 R105 Q106 L107G88-T103 WeakPolarHBondContact O-CB 3.42Å; D89-T103 WeakPolarHBondContact O-CG2 3.34Å; K90-T103 CarbonylContact O-C 3.53Å; K90-T103 WeakPolarHBondContact O-CA 3.44Å; K90-T103 WeakPolarHBondContact O-CB 3.46Å; T103-R105 PolarHBondContact O-N 2.84Å; T103-Q106 PolarHBondContact O-N 2.97Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.39Å; T103-Q106 PolarHBondContact OG1-N 3.37Å; T103-Q106 VanDerWaalsContact OG1-N 3.16Å; T103-Q106 PolarHBondContact OG1-OE1 2.92Å; T103-L107 PolarHBondContact O-N 3.43Å
104F98.9Very high97.5Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-55.2-40172.1-81.1-84.3000111.7F80 T83 V84 H87 G88 K90 A92 D108 C301F80-F104 AromaticContact CE2-CD1 3.74Å; F80-F104 HydrophobicContact CE2-CD1 3.74Å; F80-F104 HydrophobicContact CE2-CE1 4.19Å; F80-F104 HydrophobicContact CZ-CD1 4.37Å; T83-F104 HydrophobicContact CG2-CD1 3.93Å; T83-F104 HydrophobicContact CG2-CE1 3.62Å; T83-F104 HydrophobicContact CG2-CZ 4.3Å; V84-F104 HydrophobicContact CG2-CB 4.22Å; H87-F104 HydrophobicContact CB-CD2 3.81Å; H87-F104 HydrophobicContact CB-CE2 4.09Å; H87-F104 HydrophobicContact CB-CG 4.27Å; H87-F104 WeakPolarHBondContact O-CB 3.19Å; H87-F104 VanDerWaalsContact O-CD2 3.24Å; H87-F104 WeakPolarHBondContact O-CD2 3.16Å; G88-F104 PolarHBondContact O-N 3.33Å; K90-F104 HydrophobicContact CB-CD2 4.1Å; K90-F104 HydrophobicContact CB-CE2 4.35Å; K90-F104 HydrophobicContact CD-CE2 4.28Å; K90-F104 HydrophobicContact CG-CE2 4.38Å; K90-F104 WeakPolarHBondContact O-CD2 3.33Å; K90-F104 PolarHBondContact O-N 3.08Å; A92-F104 HydrophobicContact CB-CB 4.42Å; A92-F104 HydrophobicContact CB-CD1 3.94Å; A92-F104 HydrophobicContact CB-CD2 3.71Å; A92-F104 HydrophobicContact CB-CE1 3.96Å; A92-F104 HydrophobicContact CB-CE2 3.75Å; A92-F104 HydrophobicContact CB-CG 3.79Å; A92-F104 HydrophobicContact CB-CZ 3.85Å; F104-D108 PolarHBondContact O-N 3.48Å; F104-C301 VanDerWaalsContact CE1-O 3.24Å; F104-C301 WeakPolarHBondContact CE1-O 3.32Å
105R98.8Very high97.5Very high111 Ų11143.5 Ų43.542%0.41922%0.217SC..Hα-helixtrans-63.8-46.7176.3-171.3-173.7-51.9-79.3-0.3112.4G88 D89 T103 L107 D108 E109G88-R105 WeakPolarHBondContact O-CB 3.16Å; G88-R105 PolarHBondContact O-N 3.05Å; D89-R105 IonicContact OD1-CZ 3.72Å; D89-R105 IonicContact OD1-NE 2.82Å; D89-R105 PolarHBondContact OD1-NE 2.87Å; D89-R105 VanDerWaalsContact OD1-NE 3.16Å; D89-R105 IonicContact OD1-NH2 3.43Å; D89-R105 PolarHBondContact OD1-NH2 2.62Å; D89-R105 IonicContact OD2-NH2 3.81Å; T103-R105 PolarHBondContact O-N 2.84Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.22Å; R105-D108 WeakPolarHBondContact O-CB 3.34Å; R105-D108 PolarHBondContact O-N 3.31Å; R105-D108 VanDerWaalsContact O-N 3.13Å; R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 3.4Å
106Q98.8Very high97.6Very high89 Ų8944.4 Ų44.442%0.41622%0.222SC..Hα-helixtrans-64-39.6179.3-72.8170-37.100112W102 T103 D108 E109 Y110W102-Q106 HydrophobicContact CB-CB 4.4Å; T103-Q106 PolarHBondContact O-N 2.97Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.39Å; T103-Q106 PolarHBondContact OG1-N 3.37Å; T103-Q106 VanDerWaalsContact OG1-N 3.16Å; T103-Q106 PolarHBondContact OG1-OE1 2.92Å; Q106-D108 VanDerWaalsContact C-N 3.33Å; Q106-E109 PolarHBondContact O-N 2.76Å; Q106-Y110 WeakPolarHBondContact O-CB 3.28Å; Q106-Y110 PolarHBondContact O-N 2.83Å
107L98.8Very high97.6Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-64-38.7173.217759.5000111.9F80 A92 L93 W102 T103 R105 S111 V140 L144 L302F80-L107 HydrophobicContact CE2-CD2 4.05Å; F80-L107 HydrophobicContact CZ-CB 4.24Å; F80-L107 HydrophobicContact CZ-CD2 3.8Å; F80-L107 HydrophobicContact CZ-CG 3.87Å; A92-L107 HydrophobicContact CB-CD2 4.47Å; L93-L107 HydrophobicContact CD1-CD1 4.11Å; L93-L107 HydrophobicContact CD1-CD2 3.88Å; L93-L107 HydrophobicContact CG-CD2 4.24Å; W102-L107 HydrophobicContact CE3-CB 4.25Å; W102-L107 HydrophobicContact CE3-CD1 3.91Å; W102-L107 HydrophobicContact CZ3-CD1 4Å; T103-L107 PolarHBondContact O-N 3.43Å; R105-L107 VanDerWaalsContact C-N 3.34Å; R105-L107 PolarHBondContact O-N 3.22Å; L107-S111 WeakPolarHBondContact O-CB 3.27Å; L107-S111 PolarHBondContact O-N 3.07Å; L107-S111 PolarHBondContact O-OG 2.93Å; L107-V140 HydrophobicContact CD1-CB 4.49Å; L107-V140 HydrophobicContact CD1-CG1 4.31Å; L107-V140 HydrophobicContact CD2-CG1 4.3Å; L107-L144 HydrophobicContact CG-CD2 4.44Å; L107-L302 HydrophobicContact CD2-CD2 3.77Å
108D98.8Very high98.1Very high24 Ų2441.6 Ų41.613%0.12820%0.198CC..Hα-helixtrans-64.5-45.5175.2-166.366.3000112.3F80 V84 F104 R105 Q106 S111 N112 K148F80-D108 HydrophobicContact CE1-CB 3.84Å; F80-D108 WeakPolarHBondContact CE1-OD1 3.36Å; F80-D108 HydrophobicContact CZ-CB 4.46Å; V84-D108 HydrophobicContact CG1-CB 4.28Å; V84-D108 HydrophobicContact CG2-CB 4Å; F104-D108 PolarHBondContact O-N 3.48Å; R105-D108 WeakPolarHBondContact O-CB 3.34Å; R105-D108 PolarHBondContact O-N 3.31Å; R105-D108 VanDerWaalsContact O-N 3.13Å; Q106-D108 VanDerWaalsContact C-N 3.33Å; D108-S111 WeakPolarHBondContact CA-OG 3.35Å; D108-S111 PolarHBondContact O-N 3.19Å; D108-S111 PolarHBondContact O-OG 3.19Å; D108-N112 WeakPolarHBondContact O-CB 3.22Å; D108-N112 PolarHBondContact O-N 3.49Å; D108-N112 PolarHBondContact O-ND2 2.83Å; D108-N112 PolarHBondContact OD2-ND2 2.83Å; D108-N112 VanDerWaalsContact OD2-ND2 3.09Å; D108-K148 VanDerWaalsContact CG-NZ 3.34Å; D108-K148 PolarHBondContact O-NZ 2.95Å; D108-K148 IonicContact OD1-NZ 3.73Å; D108-K148 PolarHBondContact OD1-NZ 2.98Å; D108-K148 IonicContact OD2-NZ 3.16Å
109E98.7Very high98.3Very high78 Ų7840.5 Ų40.536%0.36419%0.188SC..Hα-helixtrans-63.3-44.1177.7-72.9171.2-17700112R105 Q106 N112 R113R105-E109 WeakPolarHBondContact O-CG 3.42Å; R105-E109 PolarHBondContact O-N 3.4Å; Q106-E109 PolarHBondContact O-N 2.76Å; E109-N112 WeakPolarHBondContact O-CB 3.27Å; E109-N112 PolarHBondContact O-N 3.37Å; E109-R113 WeakPolarHBondContact O-CG 3.39Å; E109-R113 PolarHBondContact O-N 3.06Å
110Y98.8Very high98.4Very high34 Ų3442.6 Ų42.613%0.13321%0.209CC..Hα-helixtrans-61.3-47.5175.4-178.1-85000111.1W102 Q106 N112 R113 V114 Q138 L142 L222W102-Y110 AromaticContact CH2-CD1 3.91Å; W102-Y110 HydrophobicContact CH2-CD1 3.91Å; W102-Y110 AromaticContact CH2-CD2 3.5Å; W102-Y110 HydrophobicContact CH2-CD2 3.5Å; W102-Y110 VanDerWaalsContact CH2-CD2 3.5Å; W102-Y110 HydrophobicContact CH2-CE1 4.2Å; W102-Y110 AromaticContact CH2-CE2 3.82Å; W102-Y110 HydrophobicContact CH2-CE2 3.82Å; W102-Y110 AromaticContact CH2-CG 3.55Å; W102-Y110 HydrophobicContact CH2-CG 3.55Å; W102-Y110 HydrophobicContact CZ2-CD2 4.22Å; W102-Y110 AromaticContact CZ3-CD1 3.91Å; W102-Y110 HydrophobicContact CZ3-CD1 3.91Å; W102-Y110 HydrophobicContact CZ3-CD2 4.16Å; W102-Y110 HydrophobicContact CZ3-CE1 4.48Å; W102-Y110 AromaticContact CZ3-CG 3.72Å; W102-Y110 HydrophobicContact CZ3-CG 3.72Å; Q106-Y110 WeakPolarHBondContact O-CB 3.28Å; Q106-Y110 PolarHBondContact O-N 2.83Å; Y110-N112 VanDerWaalsContact C-N 3.29Å; Y110-N112 PolarHBondContact O-N 3.5Å; Y110-R113 WeakPolarHBondContact O-CB 3.41Å; Y110-R113 PolarHBondContact O-N 2.85Å; Y110-R113 VanDerWaalsContact O-N 3.14Å; Y110-V114 HydrophobicContact CD1-CG2 4.04Å; Y110-V114 HydrophobicContact CE1-CG2 3.67Å; Y110-V114 WeakPolarHBondContact O-CG2 3.46Å; Y110-V114 PolarHBondContact O-N 2.77Å; Y110-Q138 HydrophobicContact CE1-CB 4.41Å; Y110-Q138 HydrophobicContact CE2-CG 4.18Å; Y110-Q138 WeakPolarHBondContact OH-CB 3.25Å; Y110-L142 HydrophobicContact CE1-CG 4.25Å; Y110-L222 HydrophobicContact CE2-CD1 3.79Å; Y110-L222 WeakPolarHBondContact OH-CD1 3.46Å
111S98.8Very high98.4Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-66.3-29.8177.654.80000112.8L107 D108 A115 G141 G145 K148L107-S111 WeakPolarHBondContact O-CB 3.27Å; L107-S111 PolarHBondContact O-N 3.07Å; L107-S111 PolarHBondContact O-OG 2.93Å; D108-S111 WeakPolarHBondContact CA-OG 3.35Å; D108-S111 PolarHBondContact O-N 3.19Å; D108-S111 PolarHBondContact O-OG 3.19Å; S111-A115 WeakPolarHBondContact O-CB 3.26Å; S111-A115 PolarHBondContact O-N 3.1Å; S111-G141 WeakPolarHBondContact CB-O 3.42Å; S111-G145 WeakPolarHBondContact O-CA 3.35Å; S111-K148 WeakPolarHBondContact OG-CE 3.13Å; S111-K148 PolarHBondContact OG-NZ 3.28Å
112N98.8Very high98.3Very high5 Ų538 Ų383%0.02720%0.202CC..Hα-helixtrans-65.5-42170.3-70.7-25.4000111.7D108 E109 Y110 V114 A115 N116 K148 S227 P230D108-N112 WeakPolarHBondContact O-CB 3.22Å; D108-N112 PolarHBondContact O-N 3.49Å; D108-N112 PolarHBondContact O-ND2 2.83Å; D108-N112 PolarHBondContact OD2-ND2 2.83Å; D108-N112 VanDerWaalsContact OD2-ND2 3.09Å; E109-N112 WeakPolarHBondContact O-CB 3.27Å; E109-N112 PolarHBondContact O-N 3.37Å; Y110-N112 VanDerWaalsContact C-N 3.29Å; Y110-N112 PolarHBondContact O-N 3.5Å; N112-V114 PolarHBondContact O-N 3.19Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 2.85Å; N112-N116 PolarHBondContact O-N 2.98Å; N112-N116 PolarHBondContact O-ND2 3.38Å; N112-K148 WeakPolarHBondContact OD1-CD 3.41Å; N112-K148 WeakPolarHBondContact OD1-CE 3.27Å; N112-K148 PolarHBondContact OD1-NZ 3.17Å; N112-S227 WeakPolarHBondContact CB-O 3.3Å; N112-S227 PolarHBondContact ND2-O 3.22Å; N112-P230 WeakPolarHBondContact OD1-CD 3.39Å
113R98.8Very high98.3Very high73 Ų7337.6 Ų37.628%0.27520%0.201SC..Hα-helixtrans-60.7-44.7175.7-70.7171179.6-88.52.9111.7E109 Y110 A115 N116 L117 L222 A223 A225 S226E109-R113 WeakPolarHBondContact O-CG 3.39Å; E109-R113 PolarHBondContact O-N 3.06Å; Y110-R113 WeakPolarHBondContact O-CB 3.41Å; Y110-R113 PolarHBondContact O-N 2.85Å; Y110-R113 VanDerWaalsContact O-N 3.14Å; R113-A115 VanDerWaalsContact C-N 3.34Å; R113-A115 PolarHBondContact O-N 2.82Å; R113-N116 PolarHBondContact O-N 2.89Å; R113-L117 VanDerWaalsContact O-CB 3.3Å; R113-L117 WeakPolarHBondContact O-CB 3.47Å; R113-L117 PolarHBondContact O-N 2.85Å; R113-L222 HydrophobicContact CB-CD2 4.23Å; R113-L222 WeakPolarHBondContact CD-O 3.47Å; R113-L222 PolarHBondContact NH1-O 2.73Å; R113-A223 PolarHBondContact NH1-O 2.77Å; R113-A225 HydrophobicContact CB-CB 4.16Å; R113-A225 PolarHBondContact NH1-O 2.95Å; R113-A225 WeakPolarHBondContact O-CB 3.45Å; R113-S226 WeakPolarHBondContact CA-O 3.32Å
114V98.8Very high98.1Very high4 Ų443.2 Ų43.22%0.02422%0.223CC..Hα-helixtrans-58.5-47.8174.8173.60000110.8Y110 N112 L117 L118 L142 L222Y110-V114 HydrophobicContact CD1-CG2 4.04Å; Y110-V114 HydrophobicContact CE1-CG2 3.67Å; Y110-V114 WeakPolarHBondContact O-CG2 3.46Å; Y110-V114 PolarHBondContact O-N 2.77Å; N112-V114 PolarHBondContact O-N 3.19Å; V114-L117 PolarHBondContact O-N 2.84Å; V114-L118 HydrophobicContact CG1-CD1 4.18Å; V114-L118 WeakPolarHBondContact O-CG 3.22Å; V114-L118 PolarHBondContact O-N 3.39Å; V114-L142 HydrophobicContact CG1-CD2 4.14Å; V114-L142 HydrophobicContact CG2-CD2 3.74Å; V114-L222 HydrophobicContact CB-CD2 4.24Å; V114-L222 HydrophobicContact CG2-CD1 4.27Å; V114-L222 HydrophobicContact CG2-CD2 3.66Å
115A98.6Very high97.9Very high0 Ų047 Ų470%024%0.241CC..Hα-helixtrans-60.9-47.6-179.900000112.4S111 N112 R113 L118 L119 G145 K148 I149 P230S111-A115 WeakPolarHBondContact O-CB 3.26Å; S111-A115 PolarHBondContact O-N 3.1Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 2.85Å; R113-A115 VanDerWaalsContact C-N 3.34Å; R113-A115 PolarHBondContact O-N 2.82Å; A115-L118 PolarHBondContact O-N 3.4Å; A115-L119 WeakPolarHBondContact O-CG 3.45Å; A115-L119 PolarHBondContact O-N 3.34Å; A115-G145 VanDerWaalsContact CB-O 3.29Å; A115-G145 WeakPolarHBondContact CB-O 3.14Å; A115-K148 HydrophobicContact CB-CB 4.04Å; A115-I149 HydrophobicContact CB-CG2 3.86Å; A115-P230 HydrophobicContact CB-CB 4.3Å; A115-P230 HydrophobicContact CB-CG 3.71Å
116N98.5Very high97.7Very high38 Ų3843.2 Ų43.220%0.20324%0.236CC..Hα-helixtrans-68.4-34.8179.7-71.5-49.7000112.5N112 R113 G120 S226 R228N112-N116 PolarHBondContact O-N 2.98Å; N112-N116 PolarHBondContact O-ND2 3.38Å; R113-N116 PolarHBondContact O-N 2.89Å; N116-G120 PolarHBondContact O-N 2.84Å; N116-S226 PolarHBondContact ND2-O 3.25Å; N116-R228 PolarHBondContact ND2-O 3.08Å
117L98.4Very high97.7Very high18 Ų1840 Ų409%0.09422%0.222CC..Hα-helixtrans-58.9-52.6171.717461.7000110.3R113 V114 L119 G120 R121 L218 L221 L222 A225R113-L117 VanDerWaalsContact O-CB 3.3Å; R113-L117 WeakPolarHBondContact O-CB 3.47Å; R113-L117 PolarHBondContact O-N 2.85Å; V114-L117 PolarHBondContact O-N 2.84Å; L117-L119 PolarHBondContact O-N 3.17Å; L117-G120 PolarHBondContact O-N 2.89Å; L117-G120 VanDerWaalsContact O-N 3.15Å; L117-R121 HydrophobicContact CD1-CG 4.41Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 3.44Å; L117-L218 HydrophobicContact CD2-CD1 3.64Å; L117-L221 HydrophobicContact CD1-CB 3.96Å; L117-L221 HydrophobicContact CD2-CB 3.94Å; L117-L222 HydrophobicContact CB-CD2 4.31Å; L117-L222 HydrophobicContact CD2-CD2 3.72Å; L117-L222 HydrophobicContact CD2-CG 4.23Å; L117-A225 HydrophobicContact CB-CB 4.18Å
118L98.2Very high97.7Very high6 Ų640.4 Ų40.43%0.03122%0.224CC..Hα-helixtrans-64.5-39.4-178.5-67.6178.5000112.4V114 A115 G120 R121 G122 F123 M146 I149V114-L118 HydrophobicContact CG1-CD1 4.18Å; V114-L118 WeakPolarHBondContact O-CG 3.22Å; V114-L118 PolarHBondContact O-N 3.39Å; A115-L118 PolarHBondContact O-N 3.4Å; L118-G120 VanDerWaalsContact C-N 3.33Å; L118-G120 PolarHBondContact O-N 3.36Å; L118-R121 CarbonylContact O-C 3.5Å; L118-R121 PolarHBondContact O-N 3.22Å; L118-R121 VanDerWaalsContact O-N 3.12Å; L118-G122 PolarHBondContact O-N 3.16Å; L118-F123 HydrophobicContact CB-CB 4.14Å; L118-F123 HydrophobicContact CB-CD2 4.13Å; L118-F123 HydrophobicContact CB-CG 4.27Å; L118-F123 HydrophobicContact CD2-CD2 3.83Å; L118-F123 HydrophobicContact CD2-CE2 3.9Å; L118-F123 HydrophobicContact CD2-CG 4.3Å; L118-F123 HydrophobicContact CD2-CZ 4.42Å; L118-F123 WeakPolarHBondContact O-CB 3.42Å; L118-F123 WeakPolarHBondContact O-CD2 3.32Å; L118-F123 PolarHBondContact O-N 2.95Å; L118-M146 HydrophobicContact CD1-CB 4.48Å; L118-M146 HydrophobicContact CD1-CG 3.63Å; L118-I149 HydrophobicContact CB-CD1 3.72Å
119L97.1Very high97.7Very high74 Ų7439.3 Ų39.339%0.38722%0.218SC..Hα-helixtrans-59.2-44.5171.6-76.1173.6000111.9A115 L117 R121 G122 I149 P230A115-L119 WeakPolarHBondContact O-CG 3.45Å; A115-L119 PolarHBondContact O-N 3.34Å; L117-L119 PolarHBondContact O-N 3.17Å; L119-R121 PolarHBondContact O-N 2.59Å; L119-G122 PolarHBondContact O-N 3.33Å; L119-I149 HydrophobicContact CD1-CG2 3.61Å; L119-I149 HydrophobicContact CD2-CB 4.21Å; L119-I149 HydrophobicContact CD2-CD1 4.2Å; L119-I149 HydrophobicContact CD2-CG2 4.06Å; L119-I149 HydrophobicContact CG-CB 4.3Å; L119-I149 HydrophobicContact CG-CD1 4.01Å; L119-I149 HydrophobicContact CG-CG2 3.73Å; L119-P230 HydrophobicContact CD1-CB 3.85Å
120G96.6Very high97.6Very high70 Ų7035.6 Ų35.672%0.72220%0.201SC*.Hα-helixtrans-62.9-24.5176.100000113.6N116 L117 L118 G122N116-G120 PolarHBondContact O-N 2.84Å; L117-G120 PolarHBondContact O-N 2.89Å; L117-G120 VanDerWaalsContact O-N 3.15Å; L118-G120 VanDerWaalsContact C-N 3.33Å; L118-G120 PolarHBondContact O-N 3.36Å; G120-G122 VanDerWaalsContact C-N 3.33Å
121R96.5Very high97.6Very high80 Ų8034 Ų3430%0.30220%0.195SC..THydrogen-bonded Turntrans-88.53.9172.1-59.7-53.6-174.685-5113.8L117 L118 L119 F123 E216 L221L117-R121 HydrophobicContact CD1-CG 4.41Å; L117-R121 WeakPolarHBondContact O-CG 3.42Å; L117-R121 PolarHBondContact O-N 3.44Å; L118-R121 CarbonylContact O-C 3.5Å; L118-R121 PolarHBondContact O-N 3.22Å; L118-R121 VanDerWaalsContact O-N 3.12Å; L119-R121 PolarHBondContact O-N 2.59Å; R121-F123 HydrophobicContact CB-CD2 3.85Å; R121-F123 HydrophobicContact CB-CE2 3.88Å; R121-E216 IonicContact CZ-OE1 2.92Å; R121-E216 IonicContact CZ-OE2 3.88Å; R121-E216 IonicContact NH1-OE1 2.64Å; R121-E216 PolarHBondContact NH1-OE1 2.79Å; R121-E216 IonicContact NH1-OE2 3.08Å; R121-E216 PolarHBondContact NH1-OE2 3.46Å; R121-E216 IonicContact NH2-OE1 3.57Å; R121-E216 PolarHBondContact NH2-OE1 3.13Å; R121-E216 IonicContact NH2-OE2 3.04Å; R121-E216 PolarHBondContact NH2-OE2 2.97Å; R121-L221 VanDerWaalsContact NH2-CD1 3.3Å
122G96.6Very high97.5Very high45 Ų4534 Ų3446%0.46420%0.195SC..THydrogen-bonded Turntrans81.114.2175.300000115.3L118 L119 G120L118-G122 PolarHBondContact O-N 3.16Å; L119-G122 PolarHBondContact O-N 3.33Å; G120-G122 VanDerWaalsContact C-N 3.33Å
123F97.6Very high97.4Very high10 Ų1033.8 Ų33.84%0.04419%0.194CC..  trans-66.4140.5171.4-73.2-97.9000110.4L118 R121 D127 V129 V151 K175 A176 L199L118-F123 HydrophobicContact CB-CB 4.14Å; L118-F123 HydrophobicContact CB-CD2 4.13Å; L118-F123 HydrophobicContact CB-CG 4.27Å; L118-F123 HydrophobicContact CD2-CD2 3.83Å; L118-F123 HydrophobicContact CD2-CE2 3.9Å; L118-F123 HydrophobicContact CD2-CG 4.3Å; L118-F123 HydrophobicContact CD2-CZ 4.42Å; L118-F123 WeakPolarHBondContact O-CB 3.42Å; L118-F123 WeakPolarHBondContact O-CD2 3.32Å; L118-F123 PolarHBondContact O-N 2.95Å; R121-F123 HydrophobicContact CB-CD2 3.85Å; R121-F123 HydrophobicContact CB-CE2 3.88Å; F123-D127 HydrophobicContact CD1-CB 4.06Å; F123-V129 HydrophobicContact CD1-CG2 3.89Å; F123-V129 HydrophobicContact CE1-CG2 3.58Å; F123-V129 HydrophobicContact CZ-CG2 4.34Å; F123-V151 HydrophobicContact CB-CG2 3.96Å; F123-K175 HydrophobicContact CE1-CB 3.89Å; F123-A176 HydrophobicContact CE1-CB 4.08Å; F123-A176 HydrophobicContact CZ-CB 3.67Å; F123-L199 HydrophobicContact CE2-CD1 4.01Å; F123-L199 HydrophobicContact CZ-CD1 4.05Å
124K95.4Very high97.2Very high149 Ų14931 Ų3165%0.64818%0.184SC*.  trans-124.3167.6-177.6-59-177-175.6-179.90111G126 D127 V151K124-G126 PolarHBondContact O-N 2.84Å; K124-D127 PolarHBondContact N-OD2 3Å; K124-D127 VanDerWaalsContact O-CB 3.25Å; K124-D127 WeakPolarHBondContact O-CB 3.36Å; K124-D127 PolarHBondContact O-N 3.29Å; K124-V151 WeakPolarHBondContact O-CG2 3.37Å
125E95.5Very high97.1Very high79 Ų7931 Ų3137%0.36918%0.183SC..THydrogen-bonded Turntrans-51131.8172.1-176.6-179.6148.600111.2D127 P233 D234 R235E125-D127 VanDerWaalsContact C-N 3.29Å; E125-D127 PolarHBondContact O-N 3.4Å; E125-P233 HydrophobicContact CG-CB 4.45Å; E125-P233 WeakPolarHBondContact OE2-CB 3.4Å; E125-D234 PolarHBondContact OE2-N 3.02Å; E125-R235 HydrophobicContact CG-CG 4.15Å; E125-R235 VanDerWaalsContact CG-NE 3.25Å; E125-R235 WeakPolarHBondContact OE1-CD 3.25Å; E125-R235 IonicContact OE1-CZ 3.67Å; E125-R235 IonicContact OE1-NE 2.68Å; E125-R235 PolarHBondContact OE1-NE 3.24Å; E125-R235 VanDerWaalsContact OE1-NE 3.1Å; E125-R235 IonicContact OE1-NH1 3.86Å; E125-R235 PolarHBondContact OE1-NH1 3.07Å
126G94.8Very high97Very high32 Ų3232 Ų3233%0.3319%0.188SC..THydrogen-bonded Turntrans86.8-9.9-178.900000114.8K124 G150K124-G126 PolarHBondContact O-N 2.84Å; G126-G150 PolarHBondContact N-O 3.07Å
127D97.5Very high97Very high22 Ų2230.2 Ų30.212%0.11818%0.178CC..  trans-66.3151.9168.5-69.9-19.8000110.8F123 K124 E125 V151 E152 K175F123-D127 HydrophobicContact CD1-CB 4.06Å; K124-D127 PolarHBondContact N-OD2 3Å; K124-D127 VanDerWaalsContact O-CB 3.25Å; K124-D127 WeakPolarHBondContact O-CB 3.36Å; K124-D127 PolarHBondContact O-N 3.29Å; E125-D127 VanDerWaalsContact C-N 3.29Å; E125-D127 PolarHBondContact O-N 3.4Å; D127-V151 HydrophobicContact CB-CG2 4.4Å; D127-V151 CarbonylContact O-C 3.56Å; D127-V151 WeakPolarHBondContact O-CA 3.36Å; D127-V151 WeakPolarHBondContact O-CG1 3.39Å; D127-E152 PolarHBondContact O-N 3.07Å; D127-K175 HydrophobicContact CB-CD 4.16Å; D127-K175 WeakPolarHBondContact OD1-CE 3.32Å; D127-K175 IonicContact OD1-NZ 3.99Å; D127-K175 PolarHBondContact OD1-NZ 3.33Å; D127-K175 IonicContact OD2-NZ 3.71Å; D127-K175 PolarHBondContact OD2-NZ 2.9Å; D127-K175 VanDerWaalsContact OD2-NZ 3.13Å
128V98.3Very high97Very high8 Ų831 Ų315%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-115.5134.2-177.8-175.80000110.4E152 A154 S172 A174 K175 Y243V128-E152 VanDerWaalsContact CA-O 3.27Å; V128-E152 WeakPolarHBondContact CA-O 3.47Å; V128-E152 HydrophobicContact CG2-CB 4.27Å; V128-A154 HydrophobicContact CG1-CB 3.96Å; V128-S172 WeakPolarHBondContact CG2-O 3.22Å; V128-A174 HydrophobicContact CG1-CB 4.23Å; V128-A174 CarbonylContact O-C 3.51Å; V128-A174 WeakPolarHBondContact O-CA 3.28Å; V128-K175 PolarHBondContact O-N 2.86Å; V128-Y243 HydrophobicContact CG1-CD2 4.24Å; V128-Y243 HydrophobicContact CG1-CE2 3.95Å; V128-Y243 HydrophobicContact CG2-CE2 3.86Å
129V98.6Very high97Very high0 Ų030.7 Ų30.70%018%0.179CC..EExtended strand (participates in β ladder)trans-121.1122.5171.4179.80000109F123 M146 V151 E152 A153 A154 A176 V178F123-V129 HydrophobicContact CD1-CG2 3.89Å; F123-V129 HydrophobicContact CE1-CG2 3.58Å; F123-V129 HydrophobicContact CZ-CG2 4.34Å; V129-M146 HydrophobicContact CB-CE 3.9Å; V129-M146 HydrophobicContact CB-SD 3.86Å; V129-M146 HydrophobicContact CG1-CE 3.51Å; V129-M146 HydrophobicContact CG1-SD 4.16Å; V129-V151 HydrophobicContact CB-CG1 4.33Å; V129-V151 HydrophobicContact CG2-CG1 3.7Å; V129-E152 PolarHBondContact N-O 2.73Å; V129-A153 CarbonylContact O-C 3.57Å; V129-A153 WeakPolarHBondContact O-CA 3.35Å; V129-A154 PolarHBondContact O-N 2.89Å; V129-A176 HydrophobicContact CG1-CB 4.14Å; V129-A176 HydrophobicContact CG2-CB 4.32Å; V129-V178 HydrophobicContact CG1-CG2 3.86Å
130A98.4Very high97.1Very high0 Ų027.1 Ų27.10%016%0.161CC..EExtended strand (participates in β ladder)trans-75.3134.4175.400000110.2A154 I156 V169 A174 A176 V177 V178A130-A154 HydrophobicContact CB-CB 4.26Å; A130-I156 HydrophobicContact CB-CD1 3.68Å; A130-I156 HydrophobicContact CB-CG1 4.46Å; A130-V169 HydrophobicContact CB-CG2 4.39Å; A130-A174 HydrophobicContact CB-CB 3.85Å; A130-A176 PolarHBondContact N-O 2.76Å; A130-V177 HydrophobicContact CB-CB 4.48Å; A130-V177 HydrophobicContact CB-CG2 3.96Å; A130-V177 CarbonylContact O-C 3.57Å; A130-V177 WeakPolarHBondContact O-CA 3.31Å; A130-V178 PolarHBondContact O-N 3.12Å
131L98.6Very high97.2Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-116.3110.3178.2-170.262000108.9M133 Y139 L142 W143 A154 L155 I156 V178L131-M133 HydrophobicContact CD1-CG 4.32Å; L131-M133 HydrophobicContact CD1-SD 3.46Å; L131-M133 WeakPolarHBondContact CD1-SD 3.37Å; L131-M133 HydrophobicContact CG-CG 4.43Å; L131-M133 HydrophobicContact CG-SD 4.06Å; L131-Y139 HydrophobicContact CD2-CD1 3.82Å; L131-Y139 HydrophobicContact CD2-CD2 4.04Å; L131-Y139 HydrophobicContact CD2-CE1 3.59Å; L131-Y139 HydrophobicContact CD2-CE2 3.8Å; L131-Y139 HydrophobicContact CD2-CG 4Å; L131-Y139 HydrophobicContact CG-CD2 4.33Å; L131-Y139 HydrophobicContact CG-CE2 3.92Å; L131-L142 HydrophobicContact CD1-CB 4.15Å; L131-L142 HydrophobicContact CD1-CD1 3.85Å; L131-L142 HydrophobicContact CD2-CB 4.37Å; L131-W143 HydrophobicContact CD2-CB 4.32Å; L131-A154 PolarHBondContact N-O 3.16Å; L131-L155 HydrophobicContact CB-CD2 4.32Å; L131-L155 HydrophobicContact CD2-CD2 4.12Å; L131-I156 PolarHBondContact O-N 2.9Å; L131-V178 HydrophobicContact CD1-CB 3.92Å; L131-V178 HydrophobicContact CD1-CG1 4Å
132F97.1Very high97.3Very high2 Ų220.1 Ų20.11%0.00911%0.113CC..EExtended strand (participates in β ladder)trans-128.383.8-174-176.5-117000110I156 N157 F158 L165 V177 V178 F179 G180 L183 A186 V187F132-I156 HydrophobicContact CB-CB 4.4Å; F132-I156 HydrophobicContact CD2-CB 3.94Å; F132-I156 HydrophobicContact CD2-CG2 3.54Å; F132-I156 HydrophobicContact CE2-CG2 4Å; F132-N157 WeakPolarHBondContact CE2-O 3.06Å; F132-F158 HydrophobicContact CE2-CB 4.42Å; F132-L165 HydrophobicContact CD1-CD1 4.48Å; F132-L165 HydrophobicContact CD2-CD1 3.9Å; F132-L165 HydrophobicContact CE1-CD1 4.33Å; F132-L165 HydrophobicContact CE1-CD2 3.87Å; F132-L165 HydrophobicContact CE2-CD1 3.68Å; F132-L165 HydrophobicContact CE2-CD2 4.36Å; F132-L165 HydrophobicContact CG-CD1 4.28Å; F132-L165 HydrophobicContact CZ-CD1 3.94Å; F132-L165 HydrophobicContact CZ-CD2 3.77Å; F132-L165 HydrophobicContact CZ-CG 4.5Å; F132-V177 HydrophobicContact CB-CG1 4.45Å; F132-V178 PolarHBondContact N-O 3.24Å; F132-F179 HydrophobicContact CB-CB 4.3Å; F132-F179 HydrophobicContact CD1-CB 4.17Å; F132-F179 CarbonylContact O-C 3.53Å; F132-F179 WeakPolarHBondContact O-CA 3.26Å; F132-F179 VanDerWaalsContact O-CB 3.28Å; F132-F179 WeakPolarHBondContact O-CB 3.36Å; F132-G180 PolarHBondContact O-N 3.27Å; F132-G180 VanDerWaalsContact O-N 3.07Å; F132-L183 HydrophobicContact CD1-CB 4.01Å; F132-L183 HydrophobicContact CD1-CD1 3.66Å; F132-L183 HydrophobicContact CD1-CG 4.47Å; F132-L183 HydrophobicContact CD2-CD1 4.29Å; F132-L183 HydrophobicContact CE1-CB 3.68Å; F132-L183 HydrophobicContact CE1-CD1 3.66Å; F132-L183 HydrophobicContact CE1-CG 4.17Å; F132-L183 HydrophobicContact CE2-CD1 4.32Å; F132-L183 HydrophobicContact CG-CD1 4Å; F132-L183 HydrophobicContact CZ-CD1 4Å; F132-L183 WeakPolarHBondContact O-CD1 3.39Å; F132-A186 HydrophobicContact CE1-CB 4.09Å; F132-A186 HydrophobicContact CZ-CB 4.27Å; F132-V187 HydrophobicContact CD1-CG2 3.85Å; F132-V187 HydrophobicContact CE1-CG2 3.97Å
133M96.1Very high97.4Very high0 Ų018 Ų180%09%0.091CC..  trans-155.2157.6-176.272.4-163.1-65.600110.7L131 R136 Q138 Y139 L142 F158L131-M133 HydrophobicContact CD1-CG 4.32Å; L131-M133 HydrophobicContact CD1-SD 3.46Å; L131-M133 WeakPolarHBondContact CD1-SD 3.37Å; L131-M133 HydrophobicContact CG-CG 4.43Å; L131-M133 HydrophobicContact CG-SD 4.06Å; M133-R136 VanDerWaalsContact CE-CD 3.49Å; M133-R136 HydrophobicContact CE-CG 3.81Å; M133-Q138 HydrophobicContact CE-CB 4.37Å; M133-Y139 HydrophobicContact CG-CD2 3.31Å; M133-Y139 HydrophobicContact CG-CE2 3.8Å; M133-Y139 HydrophobicContact CG-CG 4.3Å; M133-Y139 HydrophobicContact SD-CD2 3.87Å; M133-Y139 HydrophobicContact SD-CG 4.37Å; M133-L142 HydrophobicContact CE-CD1 3.87Å; M133-L142 HydrophobicContact SD-CD1 3.55Å; M133-L142 VanDerWaalsContact SD-CD1 3.55Å; M133-F158 WeakPolarHBondContact O-CD1 3.41Å
134E94Very high97.4Very high14 Ų1417.6 Ų17.67%0.0659%0.089CC..  trans-71.8166.6174.3-62.9-172.817000112.2R136 F158 E182 K312 K313E134-R136 PolarHBondContact O-N 3.47Å; E134-F158 HydrophobicContact CB-CD1 4.5Å; E134-F158 HydrophobicContact CG-CD1 4.26Å; E134-F158 HydrophobicContact CG-CD2 4.23Å; E134-F158 HydrophobicContact CG-CE1 4.47Å; E134-F158 HydrophobicContact CG-CE2 4.47Å; E134-F158 HydrophobicContact CG-CG 4.13Å; E134-E182 HydrophobicContact CB-CG 4.31Å; E134-E182 WeakPolarHBondContact CB-OE1 3.49Å; E134-E182 HydrophobicContact CG-CG 3.75Å; E134-E182 PolarHBondContact N-OE1 3.46Å; E134-K312 WeakPolarHBondContact OE2-CE 3.15Å; E134-K312 IonicContact OE2-NZ 2.68Å; E134-K313 WeakPolarHBondContact OE1-CE 3.28Å; E134-K313 IonicContact OE1-NZ 3.9Å; E134-K313 PolarHBondContact OE1-NZ 3.43Å; E134-K313 VanDerWaalsContact OE2-CE 3.24Å; E134-K313 WeakPolarHBondContact OE2-CE 3.36Å; E134-K313 IonicContact OE2-NZ 2.91Å
135N96.3Very high97.6Very high3 Ų310.5 Ų10.52%0.0166%0.058CC..SBendtrans-57.9125.8-179.1-72.62.8000111.9F95 L286 P287 L288 I310 R311F95-N135 WeakPolarHBondContact CE2-O 3.36Å; N135-L286 PolarHBondContact ND2-O 3.26Å; N135-P287 WeakPolarHBondContact OD1-CA 3.36Å; N135-L288 HydrophobicContact CB-CD1 4.3Å; N135-L288 HydrophobicContact CB-CG 4.28Å; N135-L288 WeakPolarHBondContact OD1-CG 3.35Å; N135-L288 PolarHBondContact OD1-N 2.95Å; N135-I310 HydrophobicContact CB-CG2 3.84Å; N135-R311 WeakPolarHBondContact CB-O 3.42Å; N135-R311 PolarHBondContact ND2-O 2.88Å; N135-R311 VanDerWaalsContact ND2-O 3.13Å
136R97.1Very high97.7Very high23 Ų236.8 Ų6.89%0.0874%0.041CC..  trans-165.3165.817162.6-176.4108.5163.83.7110.7F95 M133 E134 Q138 Y139 E182 S203F95-R136 HydrophobicContact CD2-CB 4.23Å; F95-R136 HydrophobicContact CE1-CB 4.31Å; F95-R136 HydrophobicContact CE2-CB 4Å; F95-R136 HydrophobicContact CG-CB 4.5Å; F95-R136 HydrophobicContact CZ-CB 4.03Å; M133-R136 VanDerWaalsContact CE-CD 3.49Å; M133-R136 HydrophobicContact CE-CG 3.81Å; E134-R136 PolarHBondContact O-N 3.47Å; R136-Q138 VanDerWaalsContact C-N 3.26Å; R136-Q138 HydrophobicContact CG-CB 4.05Å; R136-Q138 PolarHBondContact O-N 2.92Å; R136-Y139 WeakPolarHBondContact O-CB 3.46Å; R136-Y139 PolarHBondContact O-N 3.37Å; R136-E182 IonicContact CZ-OE1 3.38Å; R136-E182 IonicContact CZ-OE2 2.75Å; R136-E182 IonicContact NH2-OE1 2.75Å; R136-E182 PolarHBondContact NH2-OE1 3.16Å; R136-E182 IonicContact NH2-OE2 3.74Å; R136-E182 PolarHBondContact NH2-OE2 3.19Å; R136-S203 PolarHBondContact NH1-O 2.89Å
137S98Very high97.9Very high0 Ų05.6 Ų5.60%03%0.027CC..Hα-helixtrans-57.3-38.4179.3-60.40000112.9Y139 V140 G141S137-Y139 PolarHBondContact O-N 3.3Å; S137-V140 WeakPolarHBondContact O-CB 3.25Å; S137-V140 PolarHBondContact O-N 3.25Å; S137-V140 VanDerWaalsContact O-N 3.08Å; S137-G141 PolarHBondContact O-N 3.01Å
138Q98.1Very high97.9Very high33 Ų335 Ų515%0.1542%0.024CC..Hα-helixtrans-58.8-33.3177.7-63.574.85.900111.9W102 Y110 M133 R136 V140 G141 L142W102-Q138 HydrophobicContact CH2-CB 4.48Å; W102-Q138 HydrophobicContact CH2-CG 3.89Å; W102-Q138 HydrophobicContact CZ2-CG 4.17Å; Y110-Q138 HydrophobicContact CE1-CB 4.41Å; Y110-Q138 HydrophobicContact CE2-CG 4.18Å; Y110-Q138 WeakPolarHBondContact OH-CB 3.25Å; M133-Q138 HydrophobicContact CE-CB 4.37Å; R136-Q138 VanDerWaalsContact C-N 3.26Å; R136-Q138 HydrophobicContact CG-CB 4.05Å; R136-Q138 PolarHBondContact O-N 2.92Å; Q138-V140 VanDerWaalsContact C-N 3.25Å; Q138-V140 PolarHBondContact O-N 3.18Å; Q138-G141 PolarHBondContact O-N 3.04Å; Q138-L142 WeakPolarHBondContact O-CB 3.28Å; Q138-L142 WeakPolarHBondContact O-CD1 3.44Å; Q138-L142 WeakPolarHBondContact O-CG 3.16Å; Q138-L142 PolarHBondContact O-N 3.17Å
139Y98.6Very high97.9Very high0 Ų05 Ų50%02%0.024CC..Hα-helixtrans-54.1-46.6175.9-168-72000110.5L131 M133 R136 S137 L142 W143 L155 L288 Y289L131-Y139 HydrophobicContact CD2-CD1 3.82Å; L131-Y139 HydrophobicContact CD2-CD2 4.04Å; L131-Y139 HydrophobicContact CD2-CE1 3.59Å; L131-Y139 HydrophobicContact CD2-CE2 3.8Å; L131-Y139 HydrophobicContact CD2-CG 4Å; L131-Y139 HydrophobicContact CG-CD2 4.33Å; L131-Y139 HydrophobicContact CG-CE2 3.92Å; M133-Y139 HydrophobicContact CG-CD2 3.31Å; M133-Y139 HydrophobicContact CG-CE2 3.8Å; M133-Y139 HydrophobicContact CG-CG 4.3Å; M133-Y139 HydrophobicContact SD-CD2 3.87Å; M133-Y139 HydrophobicContact SD-CG 4.37Å; R136-Y139 WeakPolarHBondContact O-CB 3.46Å; R136-Y139 PolarHBondContact O-N 3.37Å; S137-Y139 PolarHBondContact O-N 3.3Å; Y139-L142 PolarHBondContact O-N 3.32Å; Y139-W143 AromaticContact CD1-CD1 3.99Å; Y139-W143 PolarHBondContact O-N 3.47Å; Y139-L155 HydrophobicContact CE1-CD2 4.12Å; Y139-L155 WeakPolarHBondContact OH-CB 3.25Å; Y139-L288 HydrophobicContact CD1-CB 3.69Å; Y139-L288 HydrophobicContact CD1-CD1 4.2Å; Y139-L288 HydrophobicContact CD2-CB 4.33Å; Y139-L288 HydrophobicContact CE1-CB 3.84Å; Y139-L288 VanDerWaalsContact CE1-O 3.27Å; Y139-L288 WeakPolarHBondContact CE1-O 3.35Å; Y139-L288 HydrophobicContact CE2-CB 4.5Å; Y139-L288 HydrophobicContact CG-CB 4Å; Y139-L288 HydrophobicContact CG-CD1 4.1Å; Y139-Y289 VanDerWaalsContact OH-CA 3.25Å; Y139-Y289 WeakPolarHBondContact OH-CA 3.29Å; Y139-Y289 VanDerWaalsContact OH-CB 3.29Å; Y139-Y289 WeakPolarHBondContact OH-CB 3.22Å
140V98.8Very high97.9Very high0 Ų05.2 Ų5.20%03%0.026CC..Hα-helixtrans-66.3-47.5-180-176.40000110.9L93 L107 S137 Q138 L142 W143 L144 L288 V298 L302 I310L93-V140 HydrophobicContact CD1-CB 3.89Å; L93-V140 HydrophobicContact CD1-CG1 4.19Å; L93-V140 HydrophobicContact CD1-CG2 3.98Å; L107-V140 HydrophobicContact CD1-CB 4.49Å; L107-V140 HydrophobicContact CD1-CG1 4.31Å; L107-V140 HydrophobicContact CD2-CG1 4.3Å; S137-V140 WeakPolarHBondContact O-CB 3.25Å; S137-V140 PolarHBondContact O-N 3.25Å; S137-V140 VanDerWaalsContact O-N 3.08Å; Q138-V140 VanDerWaalsContact C-N 3.25Å; Q138-V140 PolarHBondContact O-N 3.18Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 3.27Å; V140-W143 HydrophobicContact CG1-CZ2 4.46Å; V140-L144 WeakPolarHBondContact O-CB 3.49Å; V140-L144 PolarHBondContact O-N 2.99Å; V140-L144 VanDerWaalsContact O-N 3.11Å; V140-L288 HydrophobicContact CG2-CD1 4.22Å; V140-V298 HydrophobicContact CB-CG1 4.37Å; V140-V298 HydrophobicContact CG1-CG1 3.6Å; V140-V298 HydrophobicContact CG2-CB 4.5Å; V140-V298 HydrophobicContact CG2-CG1 3.8Å; V140-V298 HydrophobicContact CG2-CG2 3.92Å; V140-L302 HydrophobicContact CG1-CD1 4.3Å; V140-L302 HydrophobicContact CG1-CD2 4.17Å; V140-I310 HydrophobicContact CG2-CD1 4.06Å
141G98.7Very high97.9Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-61.6-35178.900000113.6S111 S137 Q138 G145S111-G141 WeakPolarHBondContact CB-O 3.42Å; S137-G141 PolarHBondContact O-N 3.01Å; Q138-G141 PolarHBondContact O-N 3.04Å; G141-G145 PolarHBondContact O-N 3.24Å
142L98.8Very high97.9Very high2 Ų25.7 Ų5.71%0.013%0.028CC..Hα-helixtrans-66.6-57.1-179.2-75.6164000112.1Y110 V114 L131 M133 Q138 Y139 V140 L144 G145 M146 V178 L218Y110-L142 HydrophobicContact CE1-CG 4.25Å; V114-L142 HydrophobicContact CG1-CD2 4.14Å; V114-L142 HydrophobicContact CG2-CD2 3.74Å; L131-L142 HydrophobicContact CD1-CB 4.15Å; L131-L142 HydrophobicContact CD1-CD1 3.85Å; L131-L142 HydrophobicContact CD2-CB 4.37Å; M133-L142 HydrophobicContact CE-CD1 3.87Å; M133-L142 HydrophobicContact SD-CD1 3.55Å; M133-L142 VanDerWaalsContact SD-CD1 3.55Å; Q138-L142 WeakPolarHBondContact O-CB 3.28Å; Q138-L142 WeakPolarHBondContact O-CD1 3.44Å; Q138-L142 WeakPolarHBondContact O-CG 3.16Å; Q138-L142 PolarHBondContact O-N 3.17Å; Y139-L142 PolarHBondContact O-N 3.32Å; V140-L142 VanDerWaalsContact C-N 3.29Å; V140-L142 PolarHBondContact O-N 3.27Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 3.06Å; L142-G145 PolarHBondContact O-N 3.41Å; L142-M146 HydrophobicContact CB-CE 4.34Å; L142-M146 WeakPolarHBondContact O-CG 3.33Å; L142-M146 PolarHBondContact O-N 3.42Å; L142-V178 HydrophobicContact CD1-CG1 3.92Å; L142-V178 HydrophobicContact CD2-CG1 4.33Å; L142-L218 HydrophobicContact CD1-CD2 4.49Å; L142-L218 HydrophobicContact CD2-CD2 3.74Å
143W98.8Very high97.9Very high2 Ų25.7 Ų5.71%0.0083%0.028CC..Hα-helixtrans-67-31.9179.875.3-105.9000111.7L131 Y139 V140 M146 A147 A153 L155 L241 F242 Y263 N294 L302L131-W143 HydrophobicContact CD2-CB 4.32Å; Y139-W143 AromaticContact CD1-CD1 3.99Å; Y139-W143 PolarHBondContact O-N 3.47Å; V140-W143 HydrophobicContact CG1-CZ2 4.46Å; W143-M146 PolarHBondContact O-N 3.41Å; W143-A147 HydrophobicContact CE3-CB 4.5Å; W143-A147 WeakPolarHBondContact O-CB 3.42Å; W143-A147 PolarHBondContact O-N 3.04Å; W143-A153 HydrophobicContact CB-CB 3.8Å; W143-L155 HydrophobicContact CB-CD2 4.34Å; W143-L241 HydrophobicContact CE3-CD1 4.16Å; W143-L241 HydrophobicContact CZ3-CD1 3.88Å; W143-L241 HydrophobicContact CZ3-CD2 4.18Å; W143-L241 HydrophobicContact CZ3-CG 4.46Å; W143-F242 HydrophobicContact CD2-CD1 4.38Å; W143-F242 HydrophobicContact CD2-CE1 4.35Å; W143-F242 HydrophobicContact CE3-CD1 4.12Å; W143-F242 HydrophobicContact CE3-CE1 4.21Å; W143-F242 HydrophobicContact CZ3-CE1 4.36Å; W143-Y263 HydrophobicContact CH2-CE2 4.04Å; W143-Y263 HydrophobicContact CZ2-CE2 4.22Å; W143-N294 PolarHBondContact NE1-ND2 3.36Å; W143-L302 HydrophobicContact CH2-CD1 3.41Å; W143-L302 VanDerWaalsContact CH2-CD1 3.41Å; W143-L302 HydrophobicContact CZ2-CD1 3.37Å
144L98.8Very high98Very high1 Ų15.7 Ų5.71%0.0053%0.028CC..Hα-helixtrans-66.4-39.2176.1-176.262.6000111.5P77 F80 L107 V140 L142 A147 K148 L302P77-L144 HydrophobicContact CG-CD1 4.27Å; F80-L144 HydrophobicContact CD1-CD2 3.65Å; F80-L144 HydrophobicContact CE1-CD2 3.62Å; F80-L144 HydrophobicContact CG-CD2 4.15Å; F80-L144 HydrophobicContact CZ-CD2 4.13Å; L107-L144 HydrophobicContact CG-CD2 4.44Å; V140-L144 WeakPolarHBondContact O-CB 3.49Å; V140-L144 PolarHBondContact O-N 2.99Å; V140-L144 VanDerWaalsContact O-N 3.11Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 PolarHBondContact O-N 3.06Å; L144-A147 PolarHBondContact O-N 3.31Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.9Å; L144-L302 HydrophobicContact CD2-CD2 4.38Å
145G98.6Very high98.2Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-65.6-41174.300000113S111 A115 G141 L142 A147 K148S111-G145 WeakPolarHBondContact O-CA 3.35Å; A115-G145 VanDerWaalsContact CB-O 3.29Å; A115-G145 WeakPolarHBondContact CB-O 3.14Å; G141-G145 PolarHBondContact O-N 3.24Å; L142-G145 PolarHBondContact O-N 3.41Å; G145-A147 PolarHBondContact O-N 3.38Å; G145-K148 WeakPolarHBondContact O-CB 3.35Å; G145-K148 PolarHBondContact O-N 2.7Å
146M98.6Very high97.9Very high1 Ų14.9 Ų4.91%0.0052%0.024CC..Hα-helixtrans-57.9-49171.1-64.8164.8-166.300110.8L118 V129 L142 W143 K148 I149 G150 V151 A153 V178L118-M146 HydrophobicContact CD1-CB 4.48Å; L118-M146 HydrophobicContact CD1-CG 3.63Å; V129-M146 HydrophobicContact CB-CE 3.9Å; V129-M146 HydrophobicContact CB-SD 3.86Å; V129-M146 HydrophobicContact CG1-CE 3.51Å; V129-M146 HydrophobicContact CG1-SD 4.16Å; L142-M146 HydrophobicContact CB-CE 4.34Å; L142-M146 WeakPolarHBondContact O-CG 3.33Å; L142-M146 PolarHBondContact O-N 3.42Å; W143-M146 PolarHBondContact O-N 3.41Å; M146-K148 VanDerWaalsContact C-N 3.25Å; M146-K148 PolarHBondContact O-N 2.86Å; M146-I149 VanDerWaalsContact O-CG1 3.23Å; M146-I149 WeakPolarHBondContact O-CG1 3.28Å; M146-I149 PolarHBondContact O-N 3.34Å; M146-I149 VanDerWaalsContact O-N 3.13Å; M146-G150 PolarHBondContact O-N 3.01Å; M146-V151 CarbonylContact C-O 3.58Å; M146-V151 HydrophobicContact CB-CB 4Å; M146-V151 HydrophobicContact CB-CG1 3.9Å; M146-V151 HydrophobicContact CG-CG1 4.11Å; M146-V151 WeakPolarHBondContact O-CB 3.17Å; M146-V151 PolarHBondContact O-N 3.23Å; M146-A153 HydrophobicContact SD-CB 3.79Å; M146-V178 HydrophobicContact CE-CG2 4.15Å
147A98.4Very high97.4Very high6 Ų65.1 Ų5.15%0.053%0.028CC..Hα-helixtrans-62.8-29.1-179.700000113.4P77 W143 L144 G145 I149 G150 V151 L241P77-A147 HydrophobicContact CG-CB 3.78Å; W143-A147 HydrophobicContact CE3-CB 4.5Å; W143-A147 WeakPolarHBondContact O-CB 3.42Å; W143-A147 PolarHBondContact O-N 3.04Å; L144-A147 PolarHBondContact O-N 3.31Å; G145-A147 PolarHBondContact O-N 3.38Å; A147-I149 PolarHBondContact O-N 3.11Å; A147-G150 PolarHBondContact O-N 2.67Å; A147-V151 PolarHBondContact N-O 2.88Å; A147-L241 HydrophobicContact CB-CD1 3.51Å
148K98.4Very high96.7Very high9 Ų95.9 Ų5.94%0.0393%0.031CC..Hα-helixtrans-61.2-23.2177-83.1176.1175.2-174.30113.5P77 D108 S111 N112 A115 L144 G145 M146 P230 P233P77-K148 HydrophobicContact CB-CG 3.72Å; P77-K148 HydrophobicContact CG-CG 4.1Å; D108-K148 VanDerWaalsContact CG-NZ 3.34Å; D108-K148 PolarHBondContact O-NZ 2.95Å; D108-K148 IonicContact OD1-NZ 3.73Å; D108-K148 PolarHBondContact OD1-NZ 2.98Å; D108-K148 IonicContact OD2-NZ 3.16Å; S111-K148 WeakPolarHBondContact OG-CE 3.13Å; S111-K148 PolarHBondContact OG-NZ 3.28Å; N112-K148 WeakPolarHBondContact OD1-CD 3.41Å; N112-K148 WeakPolarHBondContact OD1-CE 3.27Å; N112-K148 PolarHBondContact OD1-NZ 3.17Å; A115-K148 HydrophobicContact CB-CB 4.04Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.9Å; G145-K148 WeakPolarHBondContact O-CB 3.35Å; G145-K148 PolarHBondContact O-N 2.7Å; M146-K148 VanDerWaalsContact C-N 3.25Å; M146-K148 PolarHBondContact O-N 2.86Å; K148-P230 HydrophobicContact CB-CG 4.05Å; K148-P233 WeakPolarHBondContact O-CD 3.47Å
149I97.9Very high95.7Very high9 Ų98.2 Ų8.25%0.0465%0.045CC..THydrogen-bonded Turntrans-117.611.7179.859163.8000112.3A115 L118 L119 M146 A147 V151 P230A115-I149 HydrophobicContact CB-CG2 3.86Å; L118-I149 HydrophobicContact CB-CD1 3.72Å; L119-I149 HydrophobicContact CD1-CG2 3.61Å; L119-I149 HydrophobicContact CD2-CB 4.21Å; L119-I149 HydrophobicContact CD2-CD1 4.2Å; L119-I149 HydrophobicContact CD2-CG2 4.06Å; L119-I149 HydrophobicContact CG-CB 4.3Å; L119-I149 HydrophobicContact CG-CD1 4.01Å; L119-I149 HydrophobicContact CG-CG2 3.73Å; M146-I149 VanDerWaalsContact O-CG1 3.23Å; M146-I149 WeakPolarHBondContact O-CG1 3.28Å; M146-I149 PolarHBondContact O-N 3.34Å; M146-I149 VanDerWaalsContact O-N 3.13Å; A147-I149 PolarHBondContact O-N 3.11Å; I149-V151 HydrophobicContact CD1-CB 4.38Å; I149-V151 HydrophobicContact CD1-CG2 3.6Å; I149-V151 HydrophobicContact CG1-CB 4.19Å; I149-V151 HydrophobicContact CG1-CG2 3.78Å; I149-V151 PolarHBondContact O-N 3.27Å; I149-P230 HydrophobicContact CG2-CB 3.91Å; I149-P230 HydrophobicContact CG2-CG 3.98Å
150G97.6Very high94.5Very high5 Ų59.6 Ų9.65%0.0525%0.052CC..THydrogen-bonded Turntrans76.110.7176.400000114.4G126 M146 A147 R235G126-G150 PolarHBondContact N-O 3.07Å; M146-G150 PolarHBondContact O-N 3.01Å; A147-G150 PolarHBondContact O-N 2.67Å; G150-R235 PolarHBondContact O-NH2 2.84Å
151V98.3Very high93.5Very high2 Ų214.4 Ų14.41%0.0127%0.07CC..PPolyproline II helixtrans-75.2133.9168.3172.30000108.3F123 K124 D127 V129 M146 A147 I149F123-V151 HydrophobicContact CB-CG2 3.96Å; K124-V151 WeakPolarHBondContact O-CG2 3.37Å; D127-V151 HydrophobicContact CB-CG2 4.4Å; D127-V151 CarbonylContact O-C 3.56Å; D127-V151 WeakPolarHBondContact O-CA 3.36Å; D127-V151 WeakPolarHBondContact O-CG1 3.39Å; V129-V151 HydrophobicContact CB-CG1 4.33Å; V129-V151 HydrophobicContact CG2-CG1 3.7Å; M146-V151 CarbonylContact C-O 3.58Å; M146-V151 HydrophobicContact CB-CB 4Å; M146-V151 HydrophobicContact CB-CG1 3.9Å; M146-V151 HydrophobicContact CG-CG1 4.11Å; M146-V151 WeakPolarHBondContact O-CB 3.17Å; M146-V151 PolarHBondContact O-N 3.23Å; A147-V151 PolarHBondContact N-O 2.88Å; I149-V151 HydrophobicContact CD1-CB 4.38Å; I149-V151 HydrophobicContact CD1-CG2 3.6Å; I149-V151 HydrophobicContact CG1-CB 4.19Å; I149-V151 HydrophobicContact CG1-CG2 3.78Å; I149-V151 PolarHBondContact O-N 3.27Å
152E98.1Very high92.6Very high8 Ų819.1 Ų19.14%0.03710%0.095CC..EExtended strand (participates in β ladder)trans-93.9132.9-177.3-60.2167.2-176.200109.5D127 V128 V129 R235 R240 Y243D127-E152 PolarHBondContact O-N 3.07Å; V128-E152 VanDerWaalsContact CA-O 3.27Å; V128-E152 WeakPolarHBondContact CA-O 3.47Å; V128-E152 HydrophobicContact CG2-CB 4.27Å; V129-E152 PolarHBondContact N-O 2.73Å; E152-R235 IonicContact OE1-NH2 3.5Å; E152-R235 PolarHBondContact OE1-NH2 3Å; E152-R240 HydrophobicContact CG-CB 4.37Å; E152-R240 HydrophobicContact CG-CG 4.33Å; E152-R240 IonicContact OE1-NH1 3.5Å; E152-R240 PolarHBondContact OE1-NH1 3.08Å; E152-R240 VanDerWaalsContact OE2-CD 3.26Å; E152-R240 WeakPolarHBondContact OE2-CD 3.48Å; E152-R240 IonicContact OE2-CZ 2.71Å; E152-R240 IonicContact OE2-NE 3.87Å; E152-R240 IonicContact OE2-NH1 3.47Å; E152-R240 PolarHBondContact OE2-NH1 3.22Å; E152-Y243 HydrophobicContact CB-CE2 4.31Å; E152-Y243 PolarHBondContact OE2-OH 3.13Å
153A98.5Very high91.5Very high1 Ų124.7 Ų24.71%0.00812%0.124CC..EExtended strand (participates in β ladder)trans-85142.8174.600000111V129 W143 M146 L155 F242 Y243V129-A153 CarbonylContact O-C 3.57Å; V129-A153 WeakPolarHBondContact O-CA 3.35Å; W143-A153 HydrophobicContact CB-CB 3.8Å; M146-A153 HydrophobicContact SD-CB 3.79Å; A153-L155 HydrophobicContact CB-CD2 3.73Å; A153-F242 HydrophobicContact CB-CB 3.88Å; A153-F242 CarbonylContact O-C 3.5Å; A153-F242 WeakPolarHBondContact O-CA 3.42Å; A153-F242 WeakPolarHBondContact O-CB 3.29Å; A153-Y243 PolarHBondContact O-N 3.16Å
154A98.2Very high90.3Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-103.1104.9164.100000108.7V128 V129 A130 L131 I156 Y243 Y245V128-A154 HydrophobicContact CG1-CB 3.96Å; V129-A154 PolarHBondContact O-N 2.89Å; A130-A154 HydrophobicContact CB-CB 4.26Å; L131-A154 PolarHBondContact N-O 3.16Å; A154-I156 PolarHBondContact O-N 3.23Å; A154-I156 VanDerWaalsContact O-N 3.17Å; A154-Y243 HydrophobicContact CB-CD2 4.25Å; A154-Y245 HydrophobicContact CB-CE2 4.1Å; A154-Y245 WeakPolarHBondContact CB-OH 3.29Å
155L97.8Very high89.5Confident0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-84.292.9-173.3-53.9-170.7000110.5L131 Y139 W143 A153 F242 Y243 I244 Y245L131-L155 HydrophobicContact CB-CD2 4.32Å; L131-L155 HydrophobicContact CD2-CD2 4.12Å; Y139-L155 HydrophobicContact CE1-CD2 4.12Å; Y139-L155 WeakPolarHBondContact OH-CB 3.25Å; W143-L155 HydrophobicContact CB-CD2 4.34Å; A153-L155 HydrophobicContact CB-CD2 3.73Å; L155-F242 HydrophobicContact CD1-CD1 4.05Å; L155-F242 HydrophobicContact CD1-CD2 3.82Å; L155-F242 HydrophobicContact CD1-CE1 4.09Å; L155-F242 HydrophobicContact CD1-CE2 3.89Å; L155-F242 HydrophobicContact CD1-CG 3.94Å; L155-F242 HydrophobicContact CD1-CZ 4.01Å; L155-F242 HydrophobicContact CG-CB 4.32Å; L155-F242 HydrophobicContact CG-CD2 4.27Å; L155-F242 HydrophobicContact CG-CG 4.18Å; L155-Y243 WeakPolarHBondContact CB-O 3.34Å; L155-Y243 WeakPolarHBondContact CG-O 3.28Å; L155-Y243 PolarHBondContact N-O 3.45Å; L155-I244 HydrophobicContact CB-CG1 4.47Å; L155-I244 HydrophobicContact CD1-CD1 4.47Å; L155-I244 HydrophobicContact CD1-CG1 4Å; L155-Y245 VanDerWaalsContact O-CD2 3.29Å; L155-Y245 WeakPolarHBondContact O-CD2 3.49Å
156I90.6Very high89Confident0 Ų027 Ų270%014%0.141CC..  trans-87.4137.6-172-58.7-177.9000110.7A130 L131 F132 A154 F158 L160 L165 C168 V169 Y245 Y289A130-I156 HydrophobicContact CB-CD1 3.68Å; A130-I156 HydrophobicContact CB-CG1 4.46Å; L131-I156 PolarHBondContact O-N 2.9Å; F132-I156 HydrophobicContact CB-CB 4.4Å; F132-I156 HydrophobicContact CD2-CB 3.94Å; F132-I156 HydrophobicContact CD2-CG2 3.54Å; F132-I156 HydrophobicContact CE2-CG2 4Å; A154-I156 PolarHBondContact O-N 3.23Å; A154-I156 VanDerWaalsContact O-N 3.17Å; I156-F158 PolarHBondContact O-N 2.81Å; I156-L160 HydrophobicContact CG2-CD1 4.12Å; I156-L165 HydrophobicContact CD1-CD1 4.46Å; I156-L165 HydrophobicContact CG2-CD1 3.83Å; I156-C168 HydrophobicContact CD1-CB 4Å; I156-C168 HydrophobicContact CG1-CB 4.19Å; I156-C168 HydrophobicContact CG2-CB 4.18Å; I156-V169 HydrophobicContact CD1-CG2 3.63Å; I156-Y245 HydrophobicContact CG1-CD2 4.44Å; I156-Y245 HydrophobicContact CG1-CE2 3.85Å; I156-Y289 WeakPolarHBondContact O-CB 3.49Å
157N85.5Confident88.3Confident29 Ų2929.5 Ų29.516%0.15515%0.153CC..  trans-64.2114.6171.9174.5-3.1000110.8F132 N159 L160 Y289F132-N157 WeakPolarHBondContact CE2-O 3.06Å; N157-N159 PolarHBondContact O-N 2.88Å; N157-N159 WeakPolarHBondContact OD1-CB 3.33Å; N157-N159 PolarHBondContact OD1-N 2.67Å; N157-N159 PolarHBondContact OD1-ND2 2.65Å; N157-L160 HydrophobicContact CB-CD1 4.03Å; N157-L160 HydrophobicContact CB-CG 3.93Å; N157-L160 WeakPolarHBondContact O-CB 3.49Å; N157-L160 WeakPolarHBondContact O-CG 3.49Å; N157-L160 PolarHBondContact O-N 3.07Å; N157-Y289 VanDerWaalsContact CA-CE2 3.5Å; N157-Y289 HydrophobicContact CB-CD2 3.75Å; N157-Y289 HydrophobicContact CB-CE1 4.28Å; N157-Y289 HydrophobicContact CB-CE2 3.31Å; N157-Y289 HydrophobicContact CB-CG 4.41Å; N157-Y289 VanDerWaalsContact CG-CE2 3.46Å; N157-Y289 VanDerWaalsContact CG-OH 3.3Å; N157-Y289 PolarHBondContact OD1-OH 3.04Å
158F83Confident87.8Confident16 Ų1629.2 Ų29.27%0.0715%0.15CC..THydrogen-bonded Turntrans-61.9-12.4-177.356.1-114.2000115.6F132 M133 E134 I156 R161 L183 P287 Y289F132-F158 HydrophobicContact CE2-CB 4.42Å; M133-F158 WeakPolarHBondContact O-CD1 3.41Å; E134-F158 HydrophobicContact CB-CD1 4.5Å; E134-F158 HydrophobicContact CG-CD1 4.26Å; E134-F158 HydrophobicContact CG-CD2 4.23Å; E134-F158 HydrophobicContact CG-CE1 4.47Å; E134-F158 HydrophobicContact CG-CE2 4.47Å; E134-F158 HydrophobicContact CG-CG 4.13Å; I156-F158 PolarHBondContact O-N 2.81Å; F158-R161 PolarHBondContact O-NH1 3.36Å; F158-L183 HydrophobicContact CB-CD1 3.52Å; F158-L183 HydrophobicContact CB-CD2 4.3Å; F158-P287 HydrophobicContact CE1-CB 4.36Å; F158-Y289 AromaticContact CD1-CD1 3.52Å; F158-Y289 HydrophobicContact CD1-CD1 3.52Å; F158-Y289 AromaticContact CD1-CE1 3.41Å; F158-Y289 HydrophobicContact CD1-CE1 3.41Å; F158-Y289 VanDerWaalsContact CD1-CE1 3.41Å; F158-Y289 AromaticContact CE1-CD1 3.72Å; F158-Y289 HydrophobicContact CE1-CD1 3.72Å; F158-Y289 AromaticContact CE1-CE1 3.37Å; F158-Y289 HydrophobicContact CE1-CE1 3.37Å; F158-Y289 HydrophobicContact CE2-CE1 4.47Å; F158-Y289 HydrophobicContact CG-CD1 4.37Å; F158-Y289 HydrophobicContact CG-CE1 4.03Å; F158-Y289 AromaticContact CZ-CE1 3.92Å; F158-Y289 HydrophobicContact CZ-CE1 3.92Å
159N77.3Confident87.5Confident82 Ų8229 Ų2944%0.43915%0.15SC..THydrogen-bonded Turntrans-84.6-10.7175.3-56.5-68.7000113.1N157N157-N159 PolarHBondContact O-N 2.88Å; N157-N159 WeakPolarHBondContact OD1-CB 3.33Å; N157-N159 PolarHBondContact OD1-N 2.67Å; N157-N159 PolarHBondContact OD1-ND2 2.65Å
160L74.3Confident87.2Confident28 Ų2831 Ų3115%0.14716%0.163CC..  trans-69.1145.9179.7-64.2178.3000111I156 N157 A164 L165 C168 P253I156-L160 HydrophobicContact CG2-CD1 4.12Å; N157-L160 HydrophobicContact CB-CD1 4.03Å; N157-L160 HydrophobicContact CB-CG 3.93Å; N157-L160 WeakPolarHBondContact O-CB 3.49Å; N157-L160 WeakPolarHBondContact O-CG 3.49Å; N157-L160 PolarHBondContact O-N 3.07Å; L160-A164 HydrophobicContact CD2-CB 4.11Å; L160-L165 HydrophobicContact CB-CB 4.3Å; L160-C168 WeakPolarHBondContact CD1-SG 3.06Å; L160-P253 HydrophobicContact CD1-CG 4.11Å; L160-P253 HydrophobicContact CD2-CG 4.4Å
161R76.5Confident86.9Confident101 Ų10132.4 Ų32.438%0.38117%0.169SC..  trans-135.8164.3179.2-63.7-65.1-179.7-89.23.5109.7F158 A164 L165F158-R161 PolarHBondContact O-NH1 3.36Å; R161-A164 PolarHBondContact O-N 3.24Å; R161-L165 PolarHBondContact O-N 2.95Å
162L81Confident86.6Confident100 Ų10032.5 Ų32.552%0.52417%0.169SC..Hα-helixtrans49-136.4168.8-53.6179.7000112.8A164 L165 V166 E189 V190L162-A164 PolarHBondContact O-N 2.99Å; L162-A164 VanDerWaalsContact O-N 3.16Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 2.8Å; L162-V166 PolarHBondContact O-N 2.98Å; L162-E189 HydrophobicContact CD2-CB 4.05Å; L162-V190 VanDerWaalsContact CA-CG1 3.47Å; L162-V190 WeakPolarHBondContact O-CG1 3.44Å
163D74.5Confident86.4Confident119 Ų11936.8 Ų36.864%0.63619%0.193SC*.Hα-helixtrans-56.2-34.4-175.7-65.6-20.7000113.5L165 V166 H167 M252D163-L165 VanDerWaalsContact C-N 3.3Å; D163-L165 PolarHBondContact O-N 2.8Å; D163-V166 PolarHBondContact O-N 2.9Å; D163-H167 WeakPolarHBondContact O-CB 3.43Å; D163-H167 PolarHBondContact O-N 3.35Å; D163-M252 HydrophobicContact CB-CE 4.24Å; D163-M252 VanDerWaalsContact O-CE 3.29Å; D163-M252 WeakPolarHBondContact O-CE 3.35Å
164A73.9Confident86.3Confident26 Ų2637.2 Ų37.222%0.21520%0.196CC..Hα-helixtrans-65.6-36.4178.300000111.8L160 R161 L162 C168 M252L160-A164 HydrophobicContact CD2-CB 4.11Å; R161-A164 PolarHBondContact O-N 3.24Å; L162-A164 PolarHBondContact O-N 2.99Å; L162-A164 VanDerWaalsContact O-N 3.16Å; A164-C168 PolarHBondContact O-N 2.91Å; A164-C168 PolarHBondContact O-SG 3.37Å; A164-M252 HydrophobicContact CB-CE 4.36Å
165L82.1Confident86.2Confident2 Ų242.1 Ų42.11%0.0122%0.217CC..Hα-helixtrans-70.7-48.1173.9177.756.2000111F132 I156 L160 R161 L162 D163 H167 C168 V169 V190F132-L165 HydrophobicContact CD1-CD1 4.48Å; F132-L165 HydrophobicContact CD2-CD1 3.9Å; F132-L165 HydrophobicContact CE1-CD1 4.33Å; F132-L165 HydrophobicContact CE1-CD2 3.87Å; F132-L165 HydrophobicContact CE2-CD1 3.68Å; F132-L165 HydrophobicContact CE2-CD2 4.36Å; F132-L165 HydrophobicContact CG-CD1 4.28Å; F132-L165 HydrophobicContact CZ-CD1 3.94Å; F132-L165 HydrophobicContact CZ-CD2 3.77Å; F132-L165 HydrophobicContact CZ-CG 4.5Å; I156-L165 HydrophobicContact CD1-CD1 4.46Å; I156-L165 HydrophobicContact CG2-CD1 3.83Å; L160-L165 HydrophobicContact CB-CB 4.3Å; R161-L165 PolarHBondContact O-N 2.95Å; L162-L165 WeakPolarHBondContact O-CB 3.4Å; L162-L165 PolarHBondContact O-N 2.8Å; D163-L165 VanDerWaalsContact C-N 3.3Å; D163-L165 PolarHBondContact O-N 2.8Å; L165-H167 VanDerWaalsContact C-N 3.29Å; L165-H167 PolarHBondContact O-N 3.17Å; L165-C168 PolarHBondContact O-N 2.83Å; L165-C168 VanDerWaalsContact O-N 3.13Å; L165-V169 HydrophobicContact CD1-CG2 4.47Å; L165-V169 PolarHBondContact O-N 2.97Å; L165-V169 VanDerWaalsContact O-N 3.12Å; L165-V190 HydrophobicContact CD2-CG1 4.4Å; L165-V190 HydrophobicContact CD2-CG2 3.77Å; L165-V190 HydrophobicContact CG-CG2 4.23Å
166V87.9Confident86.2Confident23 Ų2342.1 Ų42.114%0.13922%0.217CC..Hα-helixtrans-55.8-46177176.40000111L162 D163 C168 V169 T170 V190L162-V166 PolarHBondContact O-N 2.98Å; D163-V166 PolarHBondContact O-N 2.9Å; V166-C168 PolarHBondContact O-N 3.34Å; V166-V169 PolarHBondContact O-N 3.12Å; V166-T170 VanDerWaalsContact O-CB 3.26Å; V166-T170 WeakPolarHBondContact O-CB 3.13Å; V166-T170 PolarHBondContact O-N 3.39Å; V166-T170 PolarHBondContact O-OG1 3.17Å; V166-V190 HydrophobicContact CG2-CB 3.65Å; V166-V190 HydrophobicContact CG2-CG1 3.81Å
167H85.4Confident86.6Confident53 Ų5342.2 Ų42.225%0.24522%0.218CC..Hα-helixtrans-58.8-44.7177.3171.579.5000112.1D163 L165 T170 I171 M252 P253D163-H167 WeakPolarHBondContact O-CB 3.43Å; D163-H167 PolarHBondContact O-N 3.35Å; L165-H167 VanDerWaalsContact C-N 3.29Å; L165-H167 PolarHBondContact O-N 3.17Å; H167-T170 PolarHBondContact O-N 3.48Å; H167-I171 WeakPolarHBondContact O-CB 3.42Å; H167-I171 VanDerWaalsContact O-CG2 3.29Å; H167-I171 WeakPolarHBondContact O-CG2 3.5Å; H167-I171 PolarHBondContact O-N 3.39Å; H167-M252 HydrophobicContact CB-CE 3.39Å; H167-P253 PolarHBondContact CD2-O 3.18Å; H167-P253 PolarHBondContact NE2-O 3.4Å
168C86.3Confident87.2Confident0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-62.6-46.5179.8-70.40000111.8I156 L160 A164 L165 V166 T170 I171 S172 Y245I156-C168 HydrophobicContact CD1-CB 4Å; I156-C168 HydrophobicContact CG1-CB 4.19Å; I156-C168 HydrophobicContact CG2-CB 4.18Å; L160-C168 WeakPolarHBondContact CD1-SG 3.06Å; A164-C168 PolarHBondContact O-N 2.91Å; A164-C168 PolarHBondContact O-SG 3.37Å; L165-C168 PolarHBondContact O-N 2.83Å; L165-C168 VanDerWaalsContact O-N 3.13Å; V166-C168 PolarHBondContact O-N 3.34Å; C168-T170 VanDerWaalsContact C-N 3.33Å; C168-T170 PolarHBondContact O-N 2.61Å; C168-I171 WeakPolarHBondContact O-CG2 3.4Å; C168-S172 PolarHBondContact O-OG 3.48Å; C168-Y245 HydrophobicContact CB-CD1 4.01Å; C168-Y245 HydrophobicContact CB-CE1 3.59Å; C168-Y245 PolarHBondContact O-OH 3.44Å; C168-Y245 VanDerWaalsContact SG-CD1 3.55Å
169V93Very high87.9Confident6 Ų640.3 Ų40.34%0.03621%0.208CC..Hα-helixtrans-60.6-46.4176.3177.80000110A130 I156 L165 V166 S172 A174 V177 M194A130-V169 HydrophobicContact CB-CG2 4.39Å; I156-V169 HydrophobicContact CD1-CG2 3.63Å; L165-V169 HydrophobicContact CD1-CG2 4.47Å; L165-V169 PolarHBondContact O-N 2.97Å; L165-V169 VanDerWaalsContact O-N 3.12Å; V166-V169 PolarHBondContact O-N 3.12Å; V169-S172 PolarHBondContact O-OG 2.97Å; V169-A174 HydrophobicContact CG1-CB 4.13Å; V169-A174 PolarHBondContact O-N 3.2Å; V169-V177 HydrophobicContact CG1-CG2 3.99Å; V169-V177 HydrophobicContact CG2-CG2 4.15Å; V169-M194 HydrophobicContact CB-SD 4.41Å; V169-M194 HydrophobicContact CG1-SD 4.01Å; V169-M194 HydrophobicContact CG2-CE 4.08Å; V169-M194 HydrophobicContact CG2-SD 4.23Å
170T92.3Very high88.9Confident51 Ų5136.4 Ų36.431%0.31319%0.187SC..Hα-helixtrans-68-47.2-174.3-57.70000113.3V166 H167 C168 S172 N173V166-T170 VanDerWaalsContact O-CB 3.26Å; V166-T170 WeakPolarHBondContact O-CB 3.13Å; V166-T170 PolarHBondContact O-N 3.39Å; V166-T170 PolarHBondContact O-OG1 3.17Å; H167-T170 PolarHBondContact O-N 3.48Å; C168-T170 VanDerWaalsContact C-N 3.33Å; C168-T170 PolarHBondContact O-N 2.61Å; T170-S172 PolarHBondContact O-N 3.11Å; T170-N173 PolarHBondContact O-N 2.95Å
171I90.9Very high89.9Confident34 Ų3436 Ų3617%0.17419%0.187CC..Hα-helixtrans-63.5-27.7-175.8-165.3173.7000112.6H167 C168 N173 Y245 A255 V464H167-I171 WeakPolarHBondContact O-CB 3.42Å; H167-I171 VanDerWaalsContact O-CG2 3.29Å; H167-I171 WeakPolarHBondContact O-CG2 3.5Å; H167-I171 PolarHBondContact O-N 3.39Å; C168-I171 WeakPolarHBondContact O-CG2 3.4Å; I171-N173 VanDerWaalsContact C-N 3.31Å; I171-Y245 HydrophobicContact CG2-CE1 3.72Å; I171-A255 HydrophobicContact CG2-CB 4.24Å; I171-V464 HydrophobicContact CG1-CG1 4.37Å
172S91.4Very high90.7Very high3 Ų334.2 Ų34.22%0.02118%0.183CC..THydrogen-bonded Turntrans-83.7-5.5176.569.40000113.8V128 C168 V169 T170 A174 Y245V128-S172 WeakPolarHBondContact CG2-O 3.22Å; C168-S172 PolarHBondContact O-OG 3.48Å; V169-S172 PolarHBondContact O-OG 2.97Å; T170-S172 PolarHBondContact O-N 3.11Å; S172-A174 PolarHBondContact O-N 3.22Å; S172-Y245 VanDerWaalsContact CB-OH 3.28Å; S172-Y245 WeakPolarHBondContact CB-OH 3.41Å; S172-Y245 PolarHBondContact OG-OH 3.31Å
173N93.4Very high91.3Very high99 Ų9929.7 Ų29.753%0.52916%0.16SC..THydrogen-bonded Turntrans52.139.7-171.2-65.1-57.2000113T170 I171 K175T170-N173 PolarHBondContact O-N 2.95Å; I171-N173 VanDerWaalsContact C-N 3.31Å; N173-K175 PolarHBondContact O-N 3.3Å
174A96.3Very high92.2Very high9 Ų924.2 Ų24.27%0.07413%0.131CC..  trans-60.4131178.900000111.5V128 A130 V169 S172V128-A174 HydrophobicContact CG1-CB 4.23Å; V128-A174 CarbonylContact O-C 3.51Å; V128-A174 WeakPolarHBondContact O-CA 3.28Å; A130-A174 HydrophobicContact CB-CB 3.85Å; V169-A174 HydrophobicContact CG1-CB 4.13Å; V169-A174 PolarHBondContact O-N 3.2Å; S172-A174 PolarHBondContact O-N 3.22Å
175K97.2Very high92.9Very high104 Ų10427 Ų2745%0.45214%0.142SC..SBendtrans-88.5-16.9174.9-69.7-174.8177179.80112.8F123 D127 V128 N173 V198 L199F123-K175 HydrophobicContact CE1-CB 3.89Å; D127-K175 HydrophobicContact CB-CD 4.16Å; D127-K175 WeakPolarHBondContact OD1-CE 3.32Å; D127-K175 IonicContact OD1-NZ 3.99Å; D127-K175 PolarHBondContact OD1-NZ 3.33Å; D127-K175 IonicContact OD2-NZ 3.71Å; D127-K175 PolarHBondContact OD2-NZ 2.9Å; D127-K175 VanDerWaalsContact OD2-NZ 3.13Å; V128-K175 PolarHBondContact O-N 2.86Å; N173-K175 PolarHBondContact O-N 3.3Å; K175-V198 WeakPolarHBondContact O-CA 3.48Å; K175-L199 PolarHBondContact O-N 2.85Å
176A97.9Very high93Very high0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-147.2159.5173.500000111.6F123 V129 A130 L199 F201F123-A176 HydrophobicContact CE1-CB 4.08Å; F123-A176 HydrophobicContact CZ-CB 3.67Å; V129-A176 HydrophobicContact CG1-CB 4.14Å; V129-A176 HydrophobicContact CG2-CB 4.32Å; A130-A176 PolarHBondContact N-O 2.76Å; A176-L199 CarbonylContact C-O 3.57Å; A176-L199 WeakPolarHBondContact CA-O 3.45Å; A176-L199 HydrophobicContact CB-CB 3.92Å; A176-L199 WeakPolarHBondContact CB-O 3.5Å; A176-F201 HydrophobicContact CB-CD2 4.25Å; A176-F201 HydrophobicContact CB-CE2 3.94Å
177V98.1Very high93.3Very high2 Ų226 Ų261%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-120.6122.3169.2-179.30000108.1A130 F132 V169 F179 M194 V198 L199 M200 F201A130-V177 HydrophobicContact CB-CB 4.48Å; A130-V177 HydrophobicContact CB-CG2 3.96Å; A130-V177 CarbonylContact O-C 3.57Å; A130-V177 WeakPolarHBondContact O-CA 3.31Å; F132-V177 HydrophobicContact CB-CG1 4.45Å; V169-V177 HydrophobicContact CG1-CG2 3.99Å; V169-V177 HydrophobicContact CG2-CG2 4.15Å; V177-F179 HydrophobicContact CG1-CB 4.25Å; V177-F179 HydrophobicContact CG1-CD1 4.32Å; V177-M194 HydrophobicContact CG2-SD 4.23Å; V177-V198 HydrophobicContact CG2-CG1 3.8Å; V177-L199 PolarHBondContact N-O 2.9Å; V177-M200 HydrophobicContact CB-SD 3.83Å; V177-M200 HydrophobicContact CG2-CE 4.47Å; V177-M200 HydrophobicContact CG2-SD 4.25Å; V177-F201 PolarHBondContact O-N 2.76Å
178V98.6Very high93.7Very high4 Ų425.9 Ų25.92%0.02414%0.141CC..EExtended strand (participates in β ladder)trans-97.2117.9163.3-1790000107.2V129 A130 L131 F132 L142 M146 F201 L218V129-V178 HydrophobicContact CG1-CG2 3.86Å; A130-V178 PolarHBondContact O-N 3.12Å; L131-V178 HydrophobicContact CD1-CB 3.92Å; L131-V178 HydrophobicContact CD1-CG1 4Å; F132-V178 PolarHBondContact N-O 3.24Å; L142-V178 HydrophobicContact CD1-CG1 3.92Å; L142-V178 HydrophobicContact CD2-CG1 4.33Å; M146-V178 HydrophobicContact CE-CG2 4.15Å; V178-F201 CarbonylContact C-O 3.58Å; V178-F201 WeakPolarHBondContact CA-O 3.26Å; V178-F201 HydrophobicContact CG2-CB 4.11Å; V178-F201 HydrophobicContact CG2-CD2 4.11Å; V178-F201 HydrophobicContact CG2-CG 4.48Å; V178-L218 HydrophobicContact CG1-CD2 3.8Å
179F98.1Very high93.7Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-125153.1179.468.8-85.3000113.5F132 V177 V187 M200 F201 C202 S203 V211 T215F132-F179 HydrophobicContact CB-CB 4.3Å; F132-F179 HydrophobicContact CD1-CB 4.17Å; F132-F179 CarbonylContact O-C 3.53Å; F132-F179 WeakPolarHBondContact O-CA 3.26Å; F132-F179 VanDerWaalsContact O-CB 3.28Å; F132-F179 WeakPolarHBondContact O-CB 3.36Å; V177-F179 HydrophobicContact CG1-CB 4.25Å; V177-F179 HydrophobicContact CG1-CD1 4.32Å; F179-V187 HydrophobicContact CB-CG2 3.97Å; F179-V187 HydrophobicContact CD1-CG1 4.26Å; F179-V187 HydrophobicContact CD1-CG2 4.15Å; F179-V187 HydrophobicContact CD2-CB 4.41Å; F179-V187 HydrophobicContact CD2-CG2 3.8Å; F179-V187 HydrophobicContact CE1-CG1 4.11Å; F179-V187 HydrophobicContact CE2-CB 4.42Å; F179-V187 HydrophobicContact CE2-CG2 4.31Å; F179-V187 HydrophobicContact CG-CG2 3.72Å; F179-V187 HydrophobicContact CZ-CG1 4.33Å; F179-M200 HydrophobicContact CE1-CB 4.38Å; F179-F201 VanDerWaalsContact CD1-O 3.28Å; F179-F201 WeakPolarHBondContact CD1-O 3.17Å; F179-F201 PolarHBondContact N-O 2.88Å; F179-C202 HydrophobicContact CE1-CB 4.26Å; F179-C202 HydrophobicContact CE2-CB 3.96Å; F179-C202 HydrophobicContact CZ-CB 3.79Å; F179-C202 CarbonylContact O-C 3.53Å; F179-C202 WeakPolarHBondContact O-CA 3.27Å; F179-S203 PolarHBondContact O-N 3.44Å; F179-V211 HydrophobicContact CE2-CG1 4.19Å; F179-V211 HydrophobicContact CZ-CB 4.36Å; F179-V211 HydrophobicContact CZ-CG1 4.12Å; F179-T215 HydrophobicContact CE1-CG2 3.8Å; F179-T215 HydrophobicContact CZ-CG2 3.72Å
180G97.1Very high93.4Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-77.3141.3174.200000111.7F132 E182 L183 S203F132-G180 PolarHBondContact O-N 3.27Å; F132-G180 VanDerWaalsContact O-N 3.07Å; G180-E182 VanDerWaalsContact CA-OE2 3.28Å; G180-E182 WeakPolarHBondContact CA-OE2 3.49Å; G180-E182 PolarHBondContact O-N 2.98Å; G180-L183 PolarHBondContact O-N 3.38Å; G180-S203 WeakPolarHBondContact CA-O 3.21Å
181S96.1Very high93.4Very high21 Ų2131 Ų3115%0.14716%0.161CC..G310 helixtrans-56.1-27.3178.161.90000113.3L183 S184 S203 D205S181-L183 PolarHBondContact O-N 3.28Å; S181-L183 VanDerWaalsContact O-N 3.16Å; S181-S184 WeakPolarHBondContact CA-OG 3.27Å; S181-S184 WeakPolarHBondContact O-CB 3.33Å; S181-S184 PolarHBondContact O-N 2.9Å; S181-S184 PolarHBondContact O-OG 2.79Å; S181-S203 PolarHBondContact N-O 3.47Å; S181-D205 WeakPolarHBondContact CB-O 3.47Å; S181-D205 PolarHBondContact OG-N 2.94Å; S181-D205 PolarHBondContact OG-O 3.45Å
182E93.3Very high93.3Very high63 Ų6334.6 Ų34.629%0.29419%0.189SC..G310 helixtrans-64.9-9.9172.774.1-74.8-175.700114.7E134 R136 G180E134-E182 HydrophobicContact CB-CG 4.31Å; E134-E182 WeakPolarHBondContact CB-OE1 3.49Å; E134-E182 HydrophobicContact CG-CG 3.75Å; E134-E182 PolarHBondContact N-OE1 3.46Å; R136-E182 IonicContact CZ-OE1 3.38Å; R136-E182 IonicContact CZ-OE2 2.75Å; R136-E182 IonicContact NH2-OE1 2.75Å; R136-E182 PolarHBondContact NH2-OE1 3.16Å; R136-E182 IonicContact NH2-OE2 3.74Å; R136-E182 PolarHBondContact NH2-OE2 3.19Å; G180-E182 VanDerWaalsContact CA-OE2 3.28Å; G180-E182 WeakPolarHBondContact CA-OE2 3.49Å; G180-E182 PolarHBondContact O-N 2.98Å
183L93.1Very high93.1Very high5 Ų538 Ų383%0.02621%0.213CC..G310 helixtrans-117.113.1178.8-56.7176.6000112.9F132 F158 G180 S181 D185 A186 V187F132-L183 HydrophobicContact CD1-CB 4.01Å; F132-L183 HydrophobicContact CD1-CD1 3.66Å; F132-L183 HydrophobicContact CD1-CG 4.47Å; F132-L183 HydrophobicContact CD2-CD1 4.29Å; F132-L183 HydrophobicContact CE1-CB 3.68Å; F132-L183 HydrophobicContact CE1-CD1 3.66Å; F132-L183 HydrophobicContact CE1-CG 4.17Å; F132-L183 HydrophobicContact CE2-CD1 4.32Å; F132-L183 HydrophobicContact CG-CD1 4Å; F132-L183 HydrophobicContact CZ-CD1 4Å; F132-L183 WeakPolarHBondContact O-CD1 3.39Å; F158-L183 HydrophobicContact CB-CD1 3.52Å; F158-L183 HydrophobicContact CB-CD2 4.3Å; G180-L183 PolarHBondContact O-N 3.38Å; S181-L183 PolarHBondContact O-N 3.28Å; S181-L183 VanDerWaalsContact O-N 3.16Å; L183-D185 VanDerWaalsContact C-N 3.27Å; L183-D185 PolarHBondContact O-N 2.72Å; L183-A186 WeakPolarHBondContact O-CB 3.19Å; L183-A186 PolarHBondContact O-N 3.38Å; L183-A186 VanDerWaalsContact O-N 3.16Å; L183-V187 WeakPolarHBondContact O-CG2 3.37Å; L183-V187 PolarHBondContact O-N 2.95Å; L183-V187 VanDerWaalsContact O-N 3.11Å
184S94.9Very high92.8Very high4 Ų434.1 Ų34.13%0.02819%0.192CC..Hα-helixtrans-59.1-37.2-176.2-54.70000113.2S181 V187 S188 R210S181-S184 WeakPolarHBondContact CA-OG 3.27Å; S181-S184 WeakPolarHBondContact O-CB 3.33Å; S181-S184 PolarHBondContact O-N 2.9Å; S181-S184 PolarHBondContact O-OG 2.79Å; S184-V187 PolarHBondContact O-N 3.39Å; S184-S188 WeakPolarHBondContact O-CB 3.34Å; S184-S188 PolarHBondContact O-N 3.22Å; S184-S188 PolarHBondContact O-OG 2.9Å; S184-R210 VanDerWaalsContact CB-O 3.22Å; S184-R210 WeakPolarHBondContact CB-O 3.32Å
185D87.9Confident92Very high85 Ų8540.9 Ų40.946%0.45522%0.216SC..Hα-helixtrans-63.6-46.7178.1-54.7-20.8000110.3L183 V187 S188 E189 R210L183-D185 VanDerWaalsContact C-N 3.27Å; L183-D185 PolarHBondContact O-N 2.72Å; D185-V187 VanDerWaalsContact C-N 3.3Å; D185-V187 PolarHBondContact O-N 3.33Å; D185-S188 WeakPolarHBondContact O-CB 3.42Å; D185-S188 PolarHBondContact O-N 3.06Å; D185-S188 VanDerWaalsContact O-N 3.11Å; D185-E189 WeakPolarHBondContact O-CG 3.26Å; D185-E189 PolarHBondContact O-N 3.35Å; D185-R210 IonicContact OD1-CZ 3.89Å; D185-R210 IonicContact OD1-NE 3.45Å; D185-R210 IonicContact OD1-NH2 3.18Å; D185-R210 PolarHBondContact OD1-NH2 3.5Å; D185-R210 VanDerWaalsContact OD1-NH2 3.08Å; D185-R210 IonicContact OD2-NH2 3.1Å; D185-R210 PolarHBondContact OD2-NH2 2.85Å
186A84.8Confident90.9Very high2 Ų246.5 Ų46.52%0.01724%0.24CC..Hα-helixtrans-62.4-34.5178.300000113.1F132 L183 V190F132-A186 HydrophobicContact CE1-CB 4.09Å; F132-A186 HydrophobicContact CZ-CB 4.27Å; L183-A186 WeakPolarHBondContact O-CB 3.19Å; L183-A186 PolarHBondContact O-N 3.38Å; L183-A186 VanDerWaalsContact O-N 3.16Å; A186-V190 WeakPolarHBondContact O-CG2 3.25Å
187V93.8Very high90Very high0 Ų050.7 Ų50.70%028%0.275CS..Hα-helixtrans-74.6-37.7175.2-179.90000110.7F132 F179 L183 S184 D185 E189 V190 H191 M200 P212F132-V187 HydrophobicContact CD1-CG2 3.85Å; F132-V187 HydrophobicContact CE1-CG2 3.97Å; F179-V187 HydrophobicContact CB-CG2 3.97Å; F179-V187 HydrophobicContact CD1-CG1 4.26Å; F179-V187 HydrophobicContact CD1-CG2 4.15Å; F179-V187 HydrophobicContact CD2-CB 4.41Å; F179-V187 HydrophobicContact CD2-CG2 3.8Å; F179-V187 HydrophobicContact CE1-CG1 4.11Å; F179-V187 HydrophobicContact CE2-CB 4.42Å; F179-V187 HydrophobicContact CE2-CG2 4.31Å; F179-V187 HydrophobicContact CG-CG2 3.72Å; F179-V187 HydrophobicContact CZ-CG1 4.33Å; L183-V187 WeakPolarHBondContact O-CG2 3.37Å; L183-V187 PolarHBondContact O-N 2.95Å; L183-V187 VanDerWaalsContact O-N 3.11Å; S184-V187 PolarHBondContact O-N 3.39Å; D185-V187 VanDerWaalsContact C-N 3.3Å; D185-V187 PolarHBondContact O-N 3.33Å; V187-E189 VanDerWaalsContact C-N 3.35Å; V187-E189 PolarHBondContact O-N 2.79Å; V187-V190 VanDerWaalsContact O-CG2 3.31Å; V187-V190 WeakPolarHBondContact O-CG2 3.45Å; V187-V190 PolarHBondContact O-N 3.49Å; V187-H191 WeakPolarHBondContact O-CB 3.08Å; V187-H191 PolarHBondContact O-N 3Å; V187-M200 HydrophobicContact CG1-SD 4.4Å; V187-P212 HydrophobicContact CG1-CG 3.91Å
188S92.5Very high89.7Confident51 Ų5151.5 Ų51.536%0.35728%0.279SS..Hα-helixtrans-63-39.6177.2-610000112.4S184 D185 V190 H191S184-S188 WeakPolarHBondContact O-CB 3.34Å; S184-S188 PolarHBondContact O-N 3.22Å; S184-S188 PolarHBondContact O-OG 2.9Å; D185-S188 WeakPolarHBondContact O-CB 3.42Å; D185-S188 PolarHBondContact O-N 3.06Å; D185-S188 VanDerWaalsContact O-N 3.11Å; S188-V190 PolarHBondContact O-N 3.09Å; S188-H191 PolarHBondContact O-N 3.4Å
189E86.5Confident89.5Confident99 Ų9954.6 Ų54.646%0.46330%0.296SS..Hα-helixtrans-55.2-31.7175-73.1167.4-168.900113.3L162 D185 V187L162-E189 HydrophobicContact CD2-CB 4.05Å; D185-E189 WeakPolarHBondContact O-CG 3.26Å; D185-E189 PolarHBondContact O-N 3.35Å; V187-E189 VanDerWaalsContact C-N 3.35Å; V187-E189 PolarHBondContact O-N 2.79Å
190V88Confident89.5Confident3 Ų355 Ų552%0.01830%0.298CS..Hα-helixtrans-112.6-2.9-172.8-610000113.8L162 L165 V166 A186 V187 S188 S192 S193 M194L162-V190 VanDerWaalsContact CA-CG1 3.47Å; L162-V190 WeakPolarHBondContact O-CG1 3.44Å; L165-V190 HydrophobicContact CD2-CG1 4.4Å; L165-V190 HydrophobicContact CD2-CG2 3.77Å; L165-V190 HydrophobicContact CG-CG2 4.23Å; V166-V190 HydrophobicContact CG2-CB 3.65Å; V166-V190 HydrophobicContact CG2-CG1 3.81Å; A186-V190 WeakPolarHBondContact O-CG2 3.25Å; V187-V190 VanDerWaalsContact O-CG2 3.31Å; V187-V190 WeakPolarHBondContact O-CG2 3.45Å; V187-V190 PolarHBondContact O-N 3.49Å; S188-V190 PolarHBondContact O-N 3.09Å; V190-S192 VanDerWaalsContact C-N 3.3Å; V190-S192 PolarHBondContact O-N 2.89Å; V190-S193 CarbonylContact O-C 3.54Å; V190-S193 WeakPolarHBondContact O-CA 3.4Å; V190-S193 PolarHBondContact O-N 2.96Å; V190-M194 HydrophobicContact CB-CE 4.43Å; V190-M194 HydrophobicContact CG2-CE 3.36Å; V190-M194 HydrophobicContact CG2-CG 4.5Å; V190-M194 WeakPolarHBondContact O-CG 3.13Å; V190-M194 PolarHBondContact O-N 3Å; V190-M194 VanDerWaalsContact O-N 3.12Å
191H91.4Very high89.5Confident64 Ų6455.1 Ų55.130%0.29630%0.298SS..G310 helixtrans-58.2-41.6-171.7179.1-108.3000112.4V187 S188 S193 M194 P212V187-H191 WeakPolarHBondContact O-CB 3.08Å; V187-H191 PolarHBondContact O-N 3Å; S188-H191 PolarHBondContact O-N 3.4Å; H191-S193 VanDerWaalsContact C-N 3.26Å; H191-S193 PolarHBondContact O-N 3.3Å; H191-M194 PolarHBondContact O-N 3.04Å; H191-P212 HydrophobicContact CB-CB 3.94Å; H191-P212 HydrophobicContact CB-CG 4.02Å; H191-P212 WeakPolarHBondContact CD2-CB 3.26Å
192S89.7Confident89.6Confident109 Ų10954.1 Ų54.176%0.76229%0.291SS*.G310 helixtrans-66-27.4177.353.60000113.4V190V190-S192 VanDerWaalsContact C-N 3.3Å; V190-S192 PolarHBondContact O-N 2.89Å
193S87.6Confident89.7Confident75 Ų7551.1 Ų51.152%0.52428%0.277SS..G310 helixtrans-87.6-10.5177.9-60.90000113.2V190 H191V190-S193 CarbonylContact O-C 3.54Å; V190-S193 WeakPolarHBondContact O-CA 3.4Å; V190-S193 PolarHBondContact O-N 2.96Å; H191-S193 VanDerWaalsContact C-N 3.26Å; H191-S193 PolarHBondContact O-N 3.3Å
194M86.9Confident89.7Confident17 Ų1752.1 Ų52.18%0.08429%0.289CS..SBendtrans-78.4150.4173.8-60.7-135.7-164.700110.9V169 V177 V190 H191 K196 M200V169-M194 HydrophobicContact CB-SD 4.41Å; V169-M194 HydrophobicContact CG1-SD 4.01Å; V169-M194 HydrophobicContact CG2-CE 4.08Å; V169-M194 HydrophobicContact CG2-SD 4.23Å; V177-M194 HydrophobicContact CG2-SD 4.23Å; V190-M194 HydrophobicContact CB-CE 4.43Å; V190-M194 HydrophobicContact CG2-CE 3.36Å; V190-M194 HydrophobicContact CG2-CG 4.5Å; V190-M194 WeakPolarHBondContact O-CG 3.13Å; V190-M194 PolarHBondContact O-N 3Å; V190-M194 VanDerWaalsContact O-N 3.12Å; H191-M194 PolarHBondContact O-N 3.04Å; M194-K196 PolarHBondContact O-N 3.43Å; M194-M200 HydrophobicContact CB-CE 4.29Å; M194-M200 HydrophobicContact CE-CE 4.45Å; M194-M200 HydrophobicContact CG-CE 4.31Å; M194-M200 HydrophobicContact SD-CE 3.63Å
195R78.7Confident89.4Confident151 Ų15158.9 Ų58.957%0.5732%0.324SS*.  trans-62.5134.7176.3-65179.6-179.3167.72.1109.4A197 V198R195-A197 PolarHBondContact O-N 2.79Å; R195-V198 HydrophobicContact CB-CG2 4.1Å; R195-V198 WeakPolarHBondContact O-CB 3.37Å; R195-V198 WeakPolarHBondContact O-CG2 3.33Å; R195-V198 PolarHBondContact O-N 2.83Å
196K74.3Confident89.6Confident222 Ų22259.9 Ų59.997%0.96532%0.322SS*.THydrogen-bonded Turntrans-53.9-22.2-179.3-70-174.6177-178.70115.3M194M194-K196 PolarHBondContact O-N 3.43Å
197A79.6Confident89.9Confident88 Ų8862.9 Ų62.973%0.72734%0.338SS*.THydrogen-bonded Turntrans-86.4-1.8-179.200000114.3R195 L199R195-A197 PolarHBondContact O-N 2.79Å; A197-L199 PolarHBondContact O-N 2.9Å
198V90.8Very high89.7Confident18 Ų1866.9 Ų66.911%0.10936%0.364CS..  trans-79.5116-179.8178.90000109.4K175 V177 R195 M200K175-V198 WeakPolarHBondContact O-CA 3.48Å; V177-V198 HydrophobicContact CG2-CG1 3.8Å; R195-V198 HydrophobicContact CB-CG2 4.1Å; R195-V198 WeakPolarHBondContact O-CB 3.37Å; R195-V198 WeakPolarHBondContact O-CG2 3.33Å; R195-V198 PolarHBondContact O-N 2.83Å; V198-M200 HydrophobicContact CB-CE 4.33Å; V198-M200 HydrophobicContact CG1-CE 3.89Å
199L95.4Very high89.6Confident70 Ų7073.5 Ų73.537%0.36639%0.386SS..EExtended strand (participates in β ladder)trans-71.4145175-58.5175.2000110.9F123 K175 A176 V177 A197 F201F123-L199 HydrophobicContact CE2-CD1 4.01Å; F123-L199 HydrophobicContact CZ-CD1 4.05Å; K175-L199 PolarHBondContact O-N 2.85Å; A176-L199 CarbonylContact C-O 3.57Å; A176-L199 WeakPolarHBondContact CA-O 3.45Å; A176-L199 HydrophobicContact CB-CB 3.92Å; A176-L199 WeakPolarHBondContact CB-O 3.5Å; V177-L199 PolarHBondContact N-O 2.9Å; A197-L199 PolarHBondContact O-N 2.9Å; L199-F201 HydrophobicContact CB-CE2 3.99Å; L199-F201 HydrophobicContact CB-CZ 4.31Å; L199-F201 HydrophobicContact CD1-CZ 4.42Å
200M96.3Very high89.8Confident8 Ų874.8 Ų74.84%0.03939%0.387CS..EExtended strand (participates in β ladder)trans-119.3123.5-176-65.5-65.8175.500110.6V177 F179 V187 M194 V198 T215 E216V177-M200 HydrophobicContact CB-SD 3.83Å; V177-M200 HydrophobicContact CG2-CE 4.47Å; V177-M200 HydrophobicContact CG2-SD 4.25Å; F179-M200 HydrophobicContact CE1-CB 4.38Å; V187-M200 HydrophobicContact CG1-SD 4.4Å; M194-M200 HydrophobicContact CB-CE 4.29Å; M194-M200 HydrophobicContact CE-CE 4.45Å; M194-M200 HydrophobicContact CG-CE 4.31Å; M194-M200 HydrophobicContact SD-CE 3.63Å; V198-M200 HydrophobicContact CB-CE 4.33Å; V198-M200 HydrophobicContact CG1-CE 3.89Å; M200-T215 HydrophobicContact CB-CG2 4.15Å; M200-T215 WeakPolarHBondContact O-CA 3.23Å; M200-E216 PolarHBondContact O-N 3.37Å
201F97.5Very high90.1Very high2 Ų275.4 Ų75.41%0.00939%0.39CS..EExtended strand (participates in β ladder)trans-122.2125.8175.4-58.5-78000109.9A176 V177 V178 F179 L199 E216 L218 L221A176-F201 HydrophobicContact CB-CD2 4.25Å; A176-F201 HydrophobicContact CB-CE2 3.94Å; V177-F201 PolarHBondContact O-N 2.76Å; V178-F201 CarbonylContact C-O 3.58Å; V178-F201 WeakPolarHBondContact CA-O 3.26Å; V178-F201 HydrophobicContact CG2-CB 4.11Å; V178-F201 HydrophobicContact CG2-CD2 4.11Å; V178-F201 HydrophobicContact CG2-CG 4.48Å; F179-F201 VanDerWaalsContact CD1-O 3.28Å; F179-F201 WeakPolarHBondContact CD1-O 3.17Å; F179-F201 PolarHBondContact N-O 2.88Å; L199-F201 HydrophobicContact CB-CE2 3.99Å; L199-F201 HydrophobicContact CB-CZ 4.31Å; L199-F201 HydrophobicContact CD1-CZ 4.42Å; F201-E216 WeakPolarHBondContact CA-O 3.4Å; F201-E216 HydrophobicContact CD1-CB 4.22Å; F201-L218 HydrophobicContact CB-CD1 4.32Å; F201-L218 HydrophobicContact CD1-CD1 4.31Å; F201-L218 HydrophobicContact CG-CD1 4.46Å; F201-L221 HydrophobicContact CD1-CD1 4.14Å; F201-L221 HydrophobicContact CE1-CD1 4.09Å
202C97.8Very high90.1Very high1 Ų173 Ų731%0.00738%0.38CS..EExtended strand (participates in β ladder)trans-102.6132.4174.7-175.80000110.2F179 W206 V211 T215 E216 L218F179-C202 HydrophobicContact CE1-CB 4.26Å; F179-C202 HydrophobicContact CE2-CB 3.96Å; F179-C202 HydrophobicContact CZ-CB 3.79Å; F179-C202 CarbonylContact O-C 3.53Å; F179-C202 WeakPolarHBondContact O-CA 3.27Å; C202-W206 HydrophobicContact CB-CE3 4.2Å; C202-W206 HydrophobicContact CB-CZ3 3.92Å; C202-V211 HydrophobicContact CB-CG1 4.19Å; C202-T215 HydrophobicContact CB-CG2 3.67Å; C202-E216 PolarHBondContact N-O 3.38Å; C202-L218 VanDerWaalsContact O-CB 3.24Å; C202-L218 WeakPolarHBondContact O-CB 3.28Å; C202-L218 PolarHBondContact O-N 3.08Å
203S96.6Very high90.2Very high0 Ų076.4 Ų76.40%038%0.384CS..EExtended strand (participates in β ladder)trans-117.4128.6176.1177.90000111.9R136 F179 G180 S181 E219R136-S203 PolarHBondContact NH1-O 2.89Å; F179-S203 PolarHBondContact O-N 3.44Å; G180-S203 WeakPolarHBondContact CA-O 3.21Å; S181-S203 PolarHBondContact N-O 3.47Å; S203-E219 WeakPolarHBondContact CA-OE1 3.47Å; S203-E219 WeakPolarHBondContact CB-OE1 3.49Å; S203-E219 PolarHBondContact OG-OE1 3.25Å
204G92.6Very high90.3Very high26 Ų2676 Ų7627%0.26839%0.392SS..SBendtrans116.7-154.1-178.300000111.7W206 E219G204-W206 PolarHBondContact O-N 2.84Å; G204-E219 PolarHBondContact N-OE1 2.91Å; G204-E219 PolarHBondContact N-OE2 2.97Å
205D89.1Confident90.8Very high145 Ų14575.9 Ų75.978%0.77539%0.392SS*.SBendtrans-56.5122.2-179.7-61.3-30.4000111.2S181S181-D205 WeakPolarHBondContact CB-O 3.47Å; S181-D205 PolarHBondContact OG-N 2.94Å; S181-D205 PolarHBondContact OG-O 3.45Å
206W91.5Very high91.6Very high106 Ų10671.8 Ų71.840%0.40238%0.379SS..  trans-93.9117.2-173.7176.8-106.9000111.7C202 G204 P208 V211 T215 C217C202-W206 HydrophobicContact CB-CE3 4.2Å; C202-W206 HydrophobicContact CB-CZ3 3.92Å; G204-W206 PolarHBondContact O-N 2.84Å; W206-P208 HydrophobicContact CZ2-CB 4.05Å; W206-V211 HydrophobicContact CH2-CG2 3.88Å; W206-V211 HydrophobicContact CZ3-CG1 4.48Å; W206-V211 HydrophobicContact CZ3-CG2 3.98Å; W206-T215 HydrophobicContact CH2-CG2 4.45Å; W206-T215 WeakPolarHBondContact CH2-O 3.26Å; W206-T215 HydrophobicContact CZ3-CG2 4.14Å; W206-C217 HydrophobicContact CD2-CB 3.54Å; W206-C217 HydrophobicContact CE3-CB 3.44Å; W206-C217 VanDerWaalsContact CE3-CB 3.44Å; W206-C217 HydrophobicContact CG-CB 4.05Å; W206-C217 HydrophobicContact CH2-CB 4.25Å; W206-C217 HydrophobicContact CZ2-CB 4.33Å; W206-C217 HydrophobicContact CZ3-CB 3.81Å
207D91.7Very high92.7Very high65 Ų6562.4 Ų62.435%0.34834%0.342SS..  trans-131.4107.6166.6-176.7-6.3000109.6K209 R210D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 VanDerWaalsContact O-N 3.1Å; D207-K209 WeakPolarHBondContact OD1-CB 3.08Å; D207-K209 PolarHBondContact OD1-N 3.48Å; D207-R210 HydrophobicContact CB-CB 4.26Å; D207-R210 HydrophobicContact CB-CG 4.25Å; D207-R210 PolarHBondContact O-N 3.05Å; D207-R210 WeakPolarHBondContact OD2-CG 2.74Å
208P89.5Confident93.5Very high84 Ų8458.4 Ų58.455%0.54531%0.308SS..THydrogen-bonded Turntrans-63.6-16.6-178.427.4-34.3000113.2W206W206-P208 HydrophobicContact CZ2-CB 4.05Å
209K90.8Very high93.8Very high191 Ų19160.8 Ų60.883%0.8332%0.318SS*.THydrogen-bonded Turntrans-80.7-19.7177.3-61.3179.3179.9177.10113D207D207-K209 PolarHBondContact O-N 3.19Å; D207-K209 VanDerWaalsContact O-N 3.1Å; D207-K209 WeakPolarHBondContact OD1-CB 3.08Å; D207-K209 PolarHBondContact OD1-N 3.48Å
210R90.9Very high93.9Very high126 Ų12661.4 Ų61.448%0.47533%0.326SS..THydrogen-bonded Turntrans-101.6-10.6-176.2-69.1-16868.1-175.60.4113.9S184 D185 D207S184-R210 VanDerWaalsContact CB-O 3.22Å; S184-R210 WeakPolarHBondContact CB-O 3.32Å; D185-R210 IonicContact OD1-CZ 3.89Å; D185-R210 IonicContact OD1-NE 3.45Å; D185-R210 IonicContact OD1-NH2 3.18Å; D185-R210 PolarHBondContact OD1-NH2 3.5Å; D185-R210 VanDerWaalsContact OD1-NH2 3.08Å; D185-R210 IonicContact OD2-NH2 3.1Å; D185-R210 PolarHBondContact OD2-NH2 2.85Å; D207-R210 HydrophobicContact CB-CB 4.26Å; D207-R210 HydrophobicContact CB-CG 4.25Å; D207-R210 PolarHBondContact O-N 3.05Å; D207-R210 WeakPolarHBondContact OD2-CG 2.74Å
211V93.9Very high93.9Very high16 Ų1663.2 Ų63.210%0.09734%0.336CS..SBendtrans-104.4154.3179.1-62.70000110.8F179 C202 W206 T215F179-V211 HydrophobicContact CE2-CG1 4.19Å; F179-V211 HydrophobicContact CZ-CB 4.36Å; F179-V211 HydrophobicContact CZ-CG1 4.12Å; C202-V211 HydrophobicContact CB-CG1 4.19Å; W206-V211 HydrophobicContact CH2-CG2 3.88Å; W206-V211 HydrophobicContact CZ3-CG1 4.48Å; W206-V211 HydrophobicContact CZ3-CG2 3.98Å; V211-T215 HydrophobicContact CB-CG2 4.12Å; V211-T215 HydrophobicContact CG2-CG2 4.28Å
212P92.1Very high93.9Very high12 Ų1263.5 Ų63.58%0.07834%0.337CS..  trans-61.8151.6175.6-18.628.2000113.4V187 H191 G214 T215V187-P212 HydrophobicContact CG1-CG 3.91Å; H191-P212 HydrophobicContact CB-CB 3.94Å; H191-P212 HydrophobicContact CB-CG 4.02Å; H191-P212 WeakPolarHBondContact CD2-CB 3.26Å; P212-G214 PolarHBondContact O-N 3.01Å; P212-T215 VanDerWaalsContact O-CB 3.25Å; P212-T215 WeakPolarHBondContact O-CB 3.36Å; P212-T215 PolarHBondContact O-N 3.3Å; P212-T215 VanDerWaalsContact O-N 3.15Å; P212-T215 PolarHBondContact O-OG1 2.88Å
213Q90.1Very high93.8Very high181 Ų18166.9 Ų66.985%0.84637%0.365SS*.THydrogen-bonded Turntrans-57.8134.1176.1-172.7-179.71000111.3
214G90.6Very high93.8Very high67 Ų6770.2 Ų70.269%0.69140%0.4SS*.THydrogen-bonded Turntrans87.51.7-177.900000114.3P212P212-G214 PolarHBondContact O-N 3.01Å
215T96.2Very high94Very high15 Ų1569.7 Ų69.79%0.09239%0.393CS..EExtended strand (participates in β ladder)trans-71.7139.3170-55.60000111F179 M200 C202 W206 V211 P212F179-T215 HydrophobicContact CE1-CG2 3.8Å; F179-T215 HydrophobicContact CZ-CG2 3.72Å; M200-T215 HydrophobicContact CB-CG2 4.15Å; M200-T215 WeakPolarHBondContact O-CA 3.23Å; C202-T215 HydrophobicContact CB-CG2 3.67Å; W206-T215 HydrophobicContact CH2-CG2 4.45Å; W206-T215 WeakPolarHBondContact CH2-O 3.26Å; W206-T215 HydrophobicContact CZ3-CG2 4.14Å; V211-T215 HydrophobicContact CB-CG2 4.12Å; V211-T215 HydrophobicContact CG2-CG2 4.28Å; P212-T215 VanDerWaalsContact O-CB 3.25Å; P212-T215 WeakPolarHBondContact O-CB 3.36Å; P212-T215 PolarHBondContact O-N 3.3Å; P212-T215 VanDerWaalsContact O-N 3.15Å; P212-T215 PolarHBondContact O-OG1 2.88Å
216E96.6Very high94.4Very high64 Ų6465.5 Ų65.530%0.29938%0.375SS..EExtended strand (participates in β ladder)trans-107.9143.1173.4-62.6178.7-93.700111.5R121 M200 F201 C202 L221R121-E216 IonicContact CZ-OE1 2.92Å; R121-E216 IonicContact CZ-OE2 3.88Å; R121-E216 IonicContact NH1-OE1 2.64Å; R121-E216 PolarHBondContact NH1-OE1 2.79Å; R121-E216 IonicContact NH1-OE2 3.08Å; R121-E216 PolarHBondContact NH1-OE2 3.46Å; R121-E216 IonicContact NH2-OE1 3.57Å; R121-E216 PolarHBondContact NH2-OE1 3.13Å; R121-E216 IonicContact NH2-OE2 3.04Å; R121-E216 PolarHBondContact NH2-OE2 2.97Å; M200-E216 PolarHBondContact O-N 3.37Å; F201-E216 WeakPolarHBondContact CA-O 3.4Å; F201-E216 HydrophobicContact CD1-CB 4.22Å; C202-E216 PolarHBondContact N-O 3.38Å; E216-L221 HydrophobicContact CB-CD1 3.96Å
217C97.1Very high94.7Very high25 Ų2562.5 Ų62.517%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-73.3125.7171.6-174.20000110W206 P220 L221W206-C217 HydrophobicContact CD2-CB 3.54Å; W206-C217 HydrophobicContact CE3-CB 3.44Å; W206-C217 VanDerWaalsContact CE3-CB 3.44Å; W206-C217 HydrophobicContact CG-CB 4.05Å; W206-C217 HydrophobicContact CH2-CB 4.25Å; W206-C217 HydrophobicContact CZ2-CB 4.33Å; W206-C217 HydrophobicContact CZ3-CB 3.81Å; C217-P220 HydrophobicContact CB-CG 4.37Å; C217-P220 WeakPolarHBondContact SG-CD 3.24Å; C217-L221 WeakPolarHBondContact O-CD1 3.28Å; C217-L221 WeakPolarHBondContact O-CG 2.93Å
218L97.3Very high94.9Very high5 Ų569.1 Ų69.13%0.02639%0.391CS..Hα-helixtrans-77.3-37.4-170.9-174.159.7000113L117 L142 V178 F201 C202 L221 L222L117-L218 HydrophobicContact CD2-CD1 3.64Å; L142-L218 HydrophobicContact CD1-CD2 4.49Å; L142-L218 HydrophobicContact CD2-CD2 3.74Å; V178-L218 HydrophobicContact CG1-CD2 3.8Å; F201-L218 HydrophobicContact CB-CD1 4.32Å; F201-L218 HydrophobicContact CD1-CD1 4.31Å; F201-L218 HydrophobicContact CG-CD1 4.46Å; C202-L218 VanDerWaalsContact O-CB 3.24Å; C202-L218 WeakPolarHBondContact O-CB 3.28Å; C202-L218 PolarHBondContact O-N 3.08Å; L218-L221 WeakPolarHBondContact O-CB 3.29Å; L218-L221 PolarHBondContact O-N 3.5Å; L218-L222 HydrophobicContact CD1-CD1 4.21Å; L218-L222 HydrophobicContact CD1-CD2 4.43Å; L218-L222 HydrophobicContact CD1-CG 4.02Å; L218-L222 HydrophobicContact CD2-CD1 4.1Å; L218-L222 HydrophobicContact CG-CD1 3.71Å; L218-L222 HydrophobicContact CG-CG 3.98Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.84Å
219E96.2Very high95.1Very high68 Ų6869.5 Ų69.532%0.31839%0.388SS..Hα-helixtrans-61-47.3-172-71.568.1-156.900113.2S203 G204 L221 L222 A223S203-E219 WeakPolarHBondContact CA-OE1 3.47Å; S203-E219 WeakPolarHBondContact CB-OE1 3.49Å; S203-E219 PolarHBondContact OG-OE1 3.25Å; G204-E219 PolarHBondContact N-OE1 2.91Å; G204-E219 PolarHBondContact N-OE2 2.97Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.29Å; E219-L222 PolarHBondContact O-N 3.36Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 3.3Å
220P96.8Very high95.3Very high83 Ų8361 Ų6154%0.53935%0.351SS..Hα-helixtrans-62.7-37.1175.2-22.534.2000113C217 A223 G224C217-P220 HydrophobicContact CB-CG 4.37Å; C217-P220 WeakPolarHBondContact SG-CD 3.24Å; P220-A223 PolarHBondContact O-N 3.04Å; P220-G224 PolarHBondContact O-N 2.7Å; P220-G224 VanDerWaalsContact O-N 3.12Å
221L97.4Very high95.3Very high45 Ų4563.4 Ų63.424%0.23637%0.368CS..Hα-helixtrans-64.9-42178-63.3175.5000111.4L117 R121 F201 E216 C217 L218 E219 G224 A225L117-L221 HydrophobicContact CD1-CB 3.96Å; L117-L221 HydrophobicContact CD2-CB 3.94Å; R121-L221 VanDerWaalsContact NH2-CD1 3.3Å; F201-L221 HydrophobicContact CD1-CD1 4.14Å; F201-L221 HydrophobicContact CE1-CD1 4.09Å; E216-L221 HydrophobicContact CB-CD1 3.96Å; C217-L221 WeakPolarHBondContact O-CD1 3.28Å; C217-L221 WeakPolarHBondContact O-CG 2.93Å; L218-L221 WeakPolarHBondContact O-CB 3.29Å; L218-L221 PolarHBondContact O-N 3.5Å; E219-L221 VanDerWaalsContact C-N 3.31Å; E219-L221 PolarHBondContact O-N 3.29Å; L221-G224 PolarHBondContact O-N 2.84Å; L221-A225 PolarHBondContact O-N 2.86Å; L221-A225 VanDerWaalsContact O-N 3.13Å
222L97.5Very high95.1Very high8 Ų869 Ų694%0.04239%0.388CS..Hα-helixtrans-69.7-36.7176.4-69.4177.3000112.5Y110 R113 V114 L117 L218 E219 G224 A225Y110-L222 HydrophobicContact CE2-CD1 3.79Å; Y110-L222 WeakPolarHBondContact OH-CD1 3.46Å; R113-L222 HydrophobicContact CB-CD2 4.23Å; R113-L222 WeakPolarHBondContact CD-O 3.47Å; R113-L222 PolarHBondContact NH1-O 2.73Å; V114-L222 HydrophobicContact CB-CD2 4.24Å; V114-L222 HydrophobicContact CG2-CD1 4.27Å; V114-L222 HydrophobicContact CG2-CD2 3.66Å; L117-L222 HydrophobicContact CB-CD2 4.31Å; L117-L222 HydrophobicContact CD2-CD2 3.72Å; L117-L222 HydrophobicContact CD2-CG 4.23Å; L218-L222 HydrophobicContact CD1-CD1 4.21Å; L218-L222 HydrophobicContact CD1-CD2 4.43Å; L218-L222 HydrophobicContact CD1-CG 4.02Å; L218-L222 HydrophobicContact CD2-CD1 4.1Å; L218-L222 HydrophobicContact CG-CD1 3.71Å; L218-L222 HydrophobicContact CG-CG 3.98Å; L218-L222 WeakPolarHBondContact O-CG 3.43Å; L218-L222 PolarHBondContact O-N 2.84Å; E219-L222 PolarHBondContact O-N 3.36Å; L222-G224 VanDerWaalsContact C-N 3.28Å; L222-G224 PolarHBondContact O-N 2.64Å; L222-A225 PolarHBondContact O-N 3.24Å
223A95.9Very high95.1Very high72 Ų7269.6 Ų69.660%0.59539%0.392SS*.Hα-helixtrans-61.2-38.5175.500000111.8R113 E219 P220R113-A223 PolarHBondContact NH1-O 2.77Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 3.3Å; P220-A223 PolarHBondContact O-N 3.04Å
224G95.4Very high95.2Very high71 Ų7167.1 Ų67.173%0.73238%0.384SS*.Hα-helixtrans-77.5-17.5174.900000115.2P220 L221 L222P220-G224 PolarHBondContact O-N 2.7Å; P220-G224 VanDerWaalsContact O-N 3.12Å; L221-G224 PolarHBondContact O-N 2.84Å; L222-G224 VanDerWaalsContact C-N 3.28Å; L222-G224 PolarHBondContact O-N 2.64Å
225A97.6Very high95.3Very high15 Ų1565.7 Ų65.712%0.12436%0.358CS..SBendtrans-76.9149.1179.900000112.5R113 L117 L221 L222R113-A225 HydrophobicContact CB-CB 4.16Å; R113-A225 PolarHBondContact NH1-O 2.95Å; R113-A225 WeakPolarHBondContact O-CB 3.45Å; L117-A225 HydrophobicContact CB-CB 4.18Å; L221-A225 PolarHBondContact O-N 2.86Å; L221-A225 VanDerWaalsContact O-N 3.13Å; L222-A225 PolarHBondContact O-N 3.24Å
226S97.5Very high95.2Very high56 Ų5666.4 Ų66.439%0.39236%0.363SS..  trans-65.3138175.5177.60000111.8R113 N116 R228R113-S226 WeakPolarHBondContact CA-O 3.32Å; N116-S226 PolarHBondContact ND2-O 3.25Å; S226-R228 VanDerWaalsContact C-N 3.34Å; S226-R228 WeakPolarHBondContact OG-CB 3.29Å; S226-R228 WeakPolarHBondContact OG-CG 3.33Å; S226-R228 PolarHBondContact OG-N 3.04Å; S226-R228 VanDerWaalsContact OG-N 3.15Å
227S96.8Very high95.1Very high44 Ų4463.4 Ų63.431%0.30835%0.349SS..  trans-88.31.7170.759.40000113.7N112N112-S227 WeakPolarHBondContact CB-O 3.3Å; N112-S227 PolarHBondContact ND2-O 3.22Å
228R96.3Very high95Very high204 Ų20464.2 Ų64.277%0.7735%0.353SS*.SBendtrans-67.3145.1177.3-64.1-174.9-179.2-155.20.4110.6N116 S226N116-R228 PolarHBondContact ND2-O 3.08Å; S226-R228 VanDerWaalsContact C-N 3.34Å; S226-R228 WeakPolarHBondContact OG-CB 3.29Å; S226-R228 WeakPolarHBondContact OG-CG 3.33Å; S226-R228 PolarHBondContact OG-N 3.04Å; S226-R228 VanDerWaalsContact OG-N 3.15Å
229L94.8Very high95Very high92 Ų9266 Ų6648%0.48236%0.363SS..PPolyproline II helixtrans-56.9123.5175.3-175.373.2000109.8
230P94.3Very high95Very high11 Ų1166.6 Ų66.67%0.07136%0.362CS..PPolyproline II helixtrans-69.7167.1177.932.3-39.8000111.5N112 A115 L119 K148 I149 R232N112-P230 WeakPolarHBondContact OD1-CD 3.39Å; A115-P230 HydrophobicContact CB-CB 4.3Å; A115-P230 HydrophobicContact CB-CG 3.71Å; L119-P230 HydrophobicContact CD1-CB 3.85Å; K148-P230 HydrophobicContact CB-CG 4.05Å; I149-P230 HydrophobicContact CG2-CB 3.91Å; I149-P230 HydrophobicContact CG2-CG 3.98Å; P230-R232 PolarHBondContact O-N 3.39Å
231Q91.1Very high95Very high178 Ų17862.9 Ų62.983%0.83234%0.338SS*.PPolyproline II helixtrans-60.5131.8168.8-175.4175.5-0.300109.8
232R89.4Confident95Very high133 Ų13360.7 Ų60.750%0.50233%0.327SS..PPolyproline II helixtrans-74.4137.7-178.7-65.1178.1178177.6-3.6110.3P230P230-R232 PolarHBondContact O-N 3.39Å
233P91.3Very high95Very high25 Ų2560.9 Ų60.916%0.16233%0.327CS..PPolyproline II helixtrans-72.1164.3174.934.8-40.9000110.8E125 K148 R235E125-P233 HydrophobicContact CG-CB 4.45Å; E125-P233 WeakPolarHBondContact OE2-CB 3.4Å; K148-P233 WeakPolarHBondContact O-CD 3.47Å; P233-R235 HydrophobicContact CB-CG 3.95Å; P233-R235 HydrophobicContact CG-CB 4.16Å; P233-R235 HydrophobicContact CG-CG 3.89Å; P233-R235 PolarHBondContact O-N 3.25Å
234D92.1Very high95Very high129 Ų12957.5 Ų57.569%0.6930%0.298SS*.SBendtrans-84.854.5173.4-168.921.7000110.9E125E125-D234 PolarHBondContact OE2-N 3.02Å
235R93.1Very high94.4Very high36 Ų3654.6 Ų54.614%0.13627%0.266CS..  trans-98.8147.2176.3-68.3-68.9-158.1-157.914111T75 E125 G150 E152 P233 D239T75-R235 HydrophobicContact CG2-CB 3.78Å; T75-R235 WeakPolarHBondContact CG2-O 3.47Å; E125-R235 HydrophobicContact CG-CG 4.15Å; E125-R235 VanDerWaalsContact CG-NE 3.25Å; E125-R235 WeakPolarHBondContact OE1-CD 3.25Å; E125-R235 IonicContact OE1-CZ 3.67Å; E125-R235 IonicContact OE1-NE 2.68Å; E125-R235 PolarHBondContact OE1-NE 3.24Å; E125-R235 VanDerWaalsContact OE1-NE 3.1Å; E125-R235 IonicContact OE1-NH1 3.86Å; E125-R235 PolarHBondContact OE1-NH1 3.07Å; G150-R235 PolarHBondContact O-NH2 2.84Å; E152-R235 IonicContact OE1-NH2 3.5Å; E152-R235 PolarHBondContact OE1-NH2 3Å; P233-R235 HydrophobicContact CB-CG 3.95Å; P233-R235 HydrophobicContact CG-CB 4.16Å; P233-R235 HydrophobicContact CG-CG 3.89Å; P233-R235 PolarHBondContact O-N 3.25Å; R235-D239 WeakPolarHBondContact CA-OD2 3.44Å
236C94.5Very high93.2Very high30 Ų3055 Ų5520%0.20327%0.266CS..  trans-118.2174.6178.177.90000112.1K73 T238 D239 H260K73-C236 HydrophobicContact CB-CB 4.19Å; K73-C236 HydrophobicContact CG-CB 4.28Å; C236-T238 PolarHBondContact O-N 2.71Å; C236-T238 VanDerWaalsContact O-N 3.13Å; C236-T238 PolarHBondContact SG-OG1 3.01Å; C236-D239 PolarHBondContact N-OD2 2.87Å; C236-D239 PolarHBondContact O-N 3.11Å; C236-D239 VanDerWaalsContact O-N 3.13Å; C236-D239 PolarHBondContact SG-OD2 3.11Å; C236-H260 PolarHBondContact O-CD2 2.84Å
237F95.6Very high91.4Very high2 Ų256.3 Ų56.31%0.00928%0.276CS..THydrogen-bonded Turntrans-66.3-16.8-173.7-164.9-131.7000114.1V66 H69 V70 N74 I79 H260 S261 Y264V66-F237 HydrophobicContact CB-CE1 4.33Å; V66-F237 HydrophobicContact CG1-CE1 4.13Å; V66-F237 HydrophobicContact CG2-CE1 4.17Å; H69-F237 HydrophobicContact CB-CD1 3.76Å; H69-F237 HydrophobicContact CB-CD2 3.96Å; H69-F237 HydrophobicContact CB-CE1 3.65Å; H69-F237 HydrophobicContact CB-CE2 3.86Å; H69-F237 HydrophobicContact CB-CG 3.88Å; H69-F237 HydrophobicContact CB-CZ 3.67Å; V70-F237 HydrophobicContact CG2-CD1 3.79Å; N74-F237 VanDerWaalsContact O-CA 3.23Å; N74-F237 WeakPolarHBondContact O-CA 3.15Å; N74-F237 WeakPolarHBondContact O-CB 3.41Å; N74-F237 WeakPolarHBondContact O-CD2 3.39Å; N74-F237 PolarHBondContact O-N 3.32Å; I79-F237 HydrophobicContact CD1-CE2 3.95Å; F237-H260 HydrophobicContact CD2-CB 3.99Å; F237-H260 CarbonylContact O-C 3.18Å; F237-H260 WeakPolarHBondContact O-CB 3.47Å; F237-S261 WeakPolarHBondContact O-CA 3.39Å; F237-S261 WeakPolarHBondContact O-CB 3.48Å; F237-S261 PolarHBondContact O-N 3.16Å; F237-S261 PolarHBondContact O-OG 3.28Å; F237-Y264 HydrophobicContact CE2-CG 4.15Å; F237-Y264 AromaticContact CZ-CD1 3.86Å; F237-Y264 HydrophobicContact CZ-CD1 3.86Å; F237-Y264 HydrophobicContact CZ-CD2 4.43Å; F237-Y264 AromaticContact CZ-CG 3.68Å; F237-Y264 HydrophobicContact CZ-CG 3.68Å
238T94.8Very high89Confident41 Ų4155.1 Ų55.125%0.25227%0.27SS..THydrogen-bonded Turntrans-101.31.6178.549.20000113.5C236 V259 P456C236-T238 PolarHBondContact O-N 2.71Å; C236-T238 VanDerWaalsContact O-N 3.13Å; C236-T238 PolarHBondContact SG-OG1 3.01Å; T238-V259 WeakPolarHBondContact O-CG1 3.45Å; T238-P456 HydrophobicContact CG2-CB 4.35Å; T238-P456 HydrophobicContact CG2-CG 3.91Å
239D95.8Very high86.3Confident44 Ų4449.8 Ų49.824%0.23526%0.261CS..SBendtrans-79.6159.9177-64.4-32.2000112R235 C236 L241 V259 H260R235-D239 WeakPolarHBondContact CA-OD2 3.44Å; C236-D239 PolarHBondContact N-OD2 2.87Å; C236-D239 PolarHBondContact O-N 3.11Å; C236-D239 VanDerWaalsContact O-N 3.13Å; C236-D239 PolarHBondContact SG-OD2 3.11Å; D239-L241 PolarHBondContact O-N 3.38Å; D239-V259 WeakPolarHBondContact O-CA 3.4Å; D239-V259 VanDerWaalsContact O-CB 3.27Å; D239-V259 WeakPolarHBondContact O-CB 3.31Å; D239-H260 PolarHBondContact O-CD2 3.23Å; D239-H260 PolarHBondContact O-N 2.92Å
240R96.4Very high83.8Confident80 Ų8051.4 Ų51.430%0.30228%0.275SS..EExtended strand (participates in β ladder)trans-66.2132.2-178.4-167.1173.4-40122.9-10.9110.1E152 Y243 I257E152-R240 HydrophobicContact CG-CB 4.37Å; E152-R240 HydrophobicContact CG-CG 4.33Å; E152-R240 IonicContact OE1-NH1 3.5Å; E152-R240 PolarHBondContact OE1-NH1 3.08Å; E152-R240 VanDerWaalsContact OE2-CD 3.26Å; E152-R240 WeakPolarHBondContact OE2-CD 3.48Å; E152-R240 IonicContact OE2-CZ 2.71Å; E152-R240 IonicContact OE2-NE 3.87Å; E152-R240 IonicContact OE2-NH1 3.47Å; E152-R240 PolarHBondContact OE2-NH1 3.22Å; R240-Y243 WeakPolarHBondContact CD-OH 3.35Å; R240-Y243 VanDerWaalsContact CZ-OH 3.25Å; R240-Y243 PolarHBondContact NH1-OH 3.23Å; R240-I257 HydrophobicContact CG-CG2 3.98Å
241L97.4Very high82Confident4 Ų453.3 Ų53.32%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-100.1-53176.5169.563.1000110.2L76 W143 A147 D239 V258 H260 Y263L76-L241 HydrophobicContact CD2-CD2 4.49Å; L76-L241 HydrophobicContact CG-CD2 4.29Å; W143-L241 HydrophobicContact CE3-CD1 4.16Å; W143-L241 HydrophobicContact CZ3-CD1 3.88Å; W143-L241 HydrophobicContact CZ3-CD2 4.18Å; W143-L241 HydrophobicContact CZ3-CG 4.46Å; A147-L241 HydrophobicContact CB-CD1 3.51Å; D239-L241 PolarHBondContact O-N 3.38Å; L241-V258 PolarHBondContact N-O 3.01Å; L241-H260 VanDerWaalsContact CD1-CE1 3.44Å; L241-H260 WeakPolarHBondContact CD1-CE1 3.3Å; L241-Y263 HydrophobicContact CD2-CD2 3.68Å; L241-Y263 HydrophobicContact CD2-CE2 4.45Å; L241-Y263 HydrophobicContact CD2-CG 3.94Å
242F97.4Very high80.9Confident0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-160173177.853.5-126.5000111.9W143 A153 L155 I244 V258 Y263 I295W143-F242 HydrophobicContact CD2-CD1 4.38Å; W143-F242 HydrophobicContact CD2-CE1 4.35Å; W143-F242 HydrophobicContact CE3-CD1 4.12Å; W143-F242 HydrophobicContact CE3-CE1 4.21Å; W143-F242 HydrophobicContact CZ3-CE1 4.36Å; A153-F242 HydrophobicContact CB-CB 3.88Å; A153-F242 CarbonylContact O-C 3.5Å; A153-F242 WeakPolarHBondContact O-CA 3.42Å; A153-F242 WeakPolarHBondContact O-CB 3.29Å; L155-F242 HydrophobicContact CD1-CD1 4.05Å; L155-F242 HydrophobicContact CD1-CD2 3.82Å; L155-F242 HydrophobicContact CD1-CE1 4.09Å; L155-F242 HydrophobicContact CD1-CE2 3.89Å; L155-F242 HydrophobicContact CD1-CG 3.94Å; L155-F242 HydrophobicContact CD1-CZ 4.01Å; L155-F242 HydrophobicContact CG-CB 4.32Å; L155-F242 HydrophobicContact CG-CD2 4.27Å; L155-F242 HydrophobicContact CG-CG 4.18Å; F242-I244 HydrophobicContact CD2-CD1 4.31Å; F242-I244 HydrophobicContact CD2-CG1 3.94Å; F242-I244 HydrophobicContact CE2-CD1 3.55Å; F242-I244 HydrophobicContact CE2-CG1 3.69Å; F242-I244 HydrophobicContact CZ-CD1 4.32Å; F242-V258 HydrophobicContact CD2-CB 3.74Å; F242-V258 HydrophobicContact CD2-CG1 4.19Å; F242-V258 HydrophobicContact CD2-CG2 4.1Å; F242-V258 HydrophobicContact CE2-CB 3.66Å; F242-V258 HydrophobicContact CE2-CG1 3.68Å; F242-V258 HydrophobicContact CE2-CG2 3.88Å; F242-V258 HydrophobicContact CZ-CG1 4.27Å; F242-V258 PolarHBondContact N-O 3.16Å; F242-V258 WeakPolarHBondContact O-CB 3.29Å; F242-V258 PolarHBondContact O-N 3.04Å; F242-Y263 AromaticContact CE1-CD2 3.88Å; F242-Y263 HydrophobicContact CE1-CD2 3.88Å; F242-Y263 AromaticContact CE1-CE2 3.92Å; F242-Y263 HydrophobicContact CE1-CE2 3.92Å; F242-Y263 AromaticContact CZ-CD2 3.64Å; F242-Y263 HydrophobicContact CZ-CD2 3.64Å; F242-Y263 AromaticContact CZ-CE2 3.86Å; F242-Y263 HydrophobicContact CZ-CE2 3.86Å; F242-I295 HydrophobicContact CE2-CD1 4.33Å; F242-I295 HydrophobicContact CZ-CD1 4.21Å; F242-I295 HydrophobicContact CZ-CG1 4.15Å
243Y97.6Very high80.2Confident12 Ų1243.5 Ų43.55%0.04726%0.258CS..EExtended strand (participates in β ladder)trans-102.5138.9169.4-53.1-82.4000111V128 E152 A153 A154 L155 R240 A255 A256 I257 V464V128-Y243 HydrophobicContact CG1-CD2 4.24Å; V128-Y243 HydrophobicContact CG1-CE2 3.95Å; V128-Y243 HydrophobicContact CG2-CE2 3.86Å; E152-Y243 HydrophobicContact CB-CE2 4.31Å; E152-Y243 PolarHBondContact OE2-OH 3.13Å; A153-Y243 PolarHBondContact O-N 3.16Å; A154-Y243 HydrophobicContact CB-CD2 4.25Å; L155-Y243 WeakPolarHBondContact CB-O 3.34Å; L155-Y243 WeakPolarHBondContact CG-O 3.28Å; L155-Y243 PolarHBondContact N-O 3.45Å; R240-Y243 WeakPolarHBondContact CD-OH 3.35Å; R240-Y243 VanDerWaalsContact CZ-OH 3.25Å; R240-Y243 PolarHBondContact NH1-OH 3.23Å; Y243-A255 HydrophobicContact CD1-CB 4.15Å; Y243-A255 HydrophobicContact CG-CB 4.46Å; Y243-A256 WeakPolarHBondContact CA-O 3.18Å; Y243-I257 HydrophobicContact CD1-CG1 4.33Å; Y243-I257 HydrophobicContact CE1-CG1 4.12Å; Y243-V464 HydrophobicContact CD1-CG2 3.72Å; Y243-V464 HydrophobicContact CE1-CG2 3.31Å
244I94.8Very high79.8Confident0 Ų045.4 Ų45.40%026%0.264CS..EExtended strand (participates in β ladder)trans-117.5131.3165.7-70.9178.1000107.9L155 F242 A256 V258 I295 T387L155-I244 HydrophobicContact CB-CG1 4.47Å; L155-I244 HydrophobicContact CD1-CD1 4.47Å; L155-I244 HydrophobicContact CD1-CG1 4Å; F242-I244 HydrophobicContact CD2-CD1 4.31Å; F242-I244 HydrophobicContact CD2-CG1 3.94Å; F242-I244 HydrophobicContact CE2-CD1 3.55Å; F242-I244 HydrophobicContact CE2-CG1 3.69Å; F242-I244 HydrophobicContact CZ-CD1 4.32Å; I244-A256 PolarHBondContact N-O 3.38Å; I244-A256 VanDerWaalsContact N-O 3.11Å; I244-A256 VanDerWaalsContact O-CB 3.32Å; I244-A256 WeakPolarHBondContact O-CB 3.39Å; I244-A256 PolarHBondContact O-N 3.35Å; I244-V258 HydrophobicContact CB-CG2 4.44Å; I244-V258 HydrophobicContact CD1-CG2 4.2Å; I244-V258 HydrophobicContact CG1-CG2 4.27Å; I244-I295 HydrophobicContact CD1-CD1 4.23Å; I244-T387 HydrophobicContact CB-CG2 3.72Å; I244-T387 HydrophobicContact CD1-CG2 4.22Å; I244-T387 HydrophobicContact CG2-CG2 3.72Å
245Y84.9Confident79.8Confident11 Ų1139.3 Ų39.34%0.04323%0.232CC..EExtended strand (participates in β ladder)trans-86126.8179.9-62.2-101.7000110.4A154 L155 I156 C168 I171 S172 P253 K254 A255A154-Y245 HydrophobicContact CB-CE2 4.1Å; A154-Y245 WeakPolarHBondContact CB-OH 3.29Å; L155-Y245 VanDerWaalsContact O-CD2 3.29Å; L155-Y245 WeakPolarHBondContact O-CD2 3.49Å; I156-Y245 HydrophobicContact CG1-CD2 4.44Å; I156-Y245 HydrophobicContact CG1-CE2 3.85Å; C168-Y245 HydrophobicContact CB-CD1 4.01Å; C168-Y245 HydrophobicContact CB-CE1 3.59Å; C168-Y245 PolarHBondContact O-OH 3.44Å; C168-Y245 VanDerWaalsContact SG-CD1 3.55Å; I171-Y245 HydrophobicContact CG2-CE1 3.72Å; S172-Y245 VanDerWaalsContact CB-OH 3.28Å; S172-Y245 WeakPolarHBondContact CB-OH 3.41Å; S172-Y245 PolarHBondContact OG-OH 3.31Å; Y245-P253 HydrophobicContact CD1-CB 4.14Å; Y245-K254 CarbonylContact C-O 3.59Å; Y245-K254 VanDerWaalsContact CA-O 3.3Å; Y245-K254 WeakPolarHBondContact CA-O 3.43Å; Y245-A255 HydrophobicContact CD1-CB 4.15Å; Y245-A255 HydrophobicContact CE1-CB 3.85Å
246T72.3Confident79.8Confident22 Ų2237.6 Ų37.614%0.13523%0.225CC..EExtended strand (participates in β ladder)trans-101.5133.1173.860.70000109.3G248 K254 A256 Y463T246-G248 PolarHBondContact O-N 2.99Å; T246-K254 PolarHBondContact N-O 2.98Å; T246-K254 PolarHBondContact O-N 3.12Å; T246-K254 PolarHBondContact OG1-O 3.26Å; T246-A256 HydrophobicContact CG2-CB 4.18Å; T246-Y463 HydrophobicContact CG2-CE1 4.49Å; T246-Y463 WeakPolarHBondContact OG1-CE1 3.49Å
247S59.4Low79.8Confident84 Ų8437.1 Ų37.159%0.58722%0.22SC*.EExtended strand (participates in β ladder)trans-61.8119.217110.80000109.3
248G45.9Very low79.9Confident19 Ų1937 Ų3720%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-74.1140.7167.400000109.3T246 T250T246-G248 PolarHBondContact O-N 2.99Å; G248-T250 PolarHBondContact O-N 3.32Å; G248-T250 VanDerWaalsContact O-N 3.16Å
249T39.1Very low80Confident93 Ų9335.2 Ų35.257%0.57121%0.209SC*.THydrogen-bonded Turntrans-65-12.5175.943.10000113.4T599T249-T599 PolarHBondContact O-OG1 3.21Å
250T42.9Very low80.1Confident126 Ų12633.4 Ų33.477%0.77320%0.199SC*.THydrogen-bonded Turntrans-145.417.3-172.465.80000113.9G248G248-T250 PolarHBondContact O-N 3.32Å; G248-T250 VanDerWaalsContact O-N 3.16Å
251G56.1Low80Confident51 Ų5129.8 Ų29.853%0.52619%0.186SC..EExtended strand (participates in β ladder)trans179.5-175.3-17700000116.6
252M67.5Low79.9Confident86 Ų8630 Ų3042%0.42419%0.187SC..EExtended strand (participates in β ladder)trans-52.6148.9-175.8-60.7-64.4-91.100113.2D163 A164 H167D163-M252 HydrophobicContact CB-CE 4.24Å; D163-M252 VanDerWaalsContact O-CE 3.29Å; D163-M252 WeakPolarHBondContact O-CE 3.35Å; A164-M252 HydrophobicContact CB-CE 4.36Å; H167-M252 HydrophobicContact CB-CE 3.39Å
253P76.4Confident79.9Confident18 Ų1830 Ų3012%0.11719%0.187CC..EExtended strand (participates in β ladder)trans-55.8139.8-177.6-2533.5000113.3L160 H167 Y245L160-P253 HydrophobicContact CD1-CG 4.11Å; L160-P253 HydrophobicContact CD2-CG 4.4Å; H167-P253 PolarHBondContact CD2-O 3.18Å; H167-P253 PolarHBondContact NE2-O 3.4Å; Y245-P253 HydrophobicContact CD1-CB 4.14Å
254K82.8Confident79.9Confident65 Ų6529.7 Ų29.728%0.28319%0.186SC..EExtended strand (participates in β ladder)trans-105.2128.4-178.8-60.8168.8-177.7175.50110Y245 T246 A256 Y463 A468Y245-K254 CarbonylContact C-O 3.59Å; Y245-K254 VanDerWaalsContact CA-O 3.3Å; Y245-K254 WeakPolarHBondContact CA-O 3.43Å; T246-K254 PolarHBondContact N-O 2.98Å; T246-K254 PolarHBondContact O-N 3.12Å; T246-K254 PolarHBondContact OG1-O 3.26Å; K254-A256 PolarHBondContact O-N 2.83Å; K254-Y463 HydrophobicContact CB-CD1 3.82Å; K254-Y463 HydrophobicContact CB-CE1 4.14Å; K254-Y463 HydrophobicContact CB-CG 4.45Å; K254-A468 HydrophobicContact CD-CB 3.92Å
255A90.5Very high79.9Confident1 Ų130.5 Ų30.51%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-77.4101.7177.400000110.7I171 Y243 Y245 Y463 V464I171-A255 HydrophobicContact CG2-CB 4.24Å; Y243-A255 HydrophobicContact CD1-CB 4.15Å; Y243-A255 HydrophobicContact CG-CB 4.46Å; Y245-A255 HydrophobicContact CD1-CB 4.15Å; Y245-A255 HydrophobicContact CE1-CB 3.85Å; A255-Y463 VanDerWaalsContact O-CA 3.25Å; A255-Y463 WeakPolarHBondContact O-CA 3.37Å; A255-Y463 WeakPolarHBondContact O-CB 3.49Å; A255-V464 HydrophobicContact CB-CB 4.29Å; A255-V464 HydrophobicContact CB-CG2 3.85Å; A255-V464 PolarHBondContact O-N 3.47Å
256A92.9Very high80.4Confident0 Ų031.1 Ų31.10%019%0.192CC..EExtended strand (participates in β ladder)trans-78.3132.4173.400000110Y243 I244 T246 K254 T387 E388 Y463Y243-A256 WeakPolarHBondContact CA-O 3.18Å; I244-A256 PolarHBondContact N-O 3.38Å; I244-A256 VanDerWaalsContact N-O 3.11Å; I244-A256 VanDerWaalsContact O-CB 3.32Å; I244-A256 WeakPolarHBondContact O-CB 3.39Å; I244-A256 PolarHBondContact O-N 3.35Å; T246-A256 HydrophobicContact CG2-CB 4.18Å; K254-A256 PolarHBondContact O-N 2.83Å; A256-T387 HydrophobicContact CB-CG2 3.96Å; A256-E388 HydrophobicContact CB-CB 4.38Å; A256-Y463 HydrophobicContact CB-CD1 3.85Å; A256-Y463 HydrophobicContact CB-CE1 3.9Å
257I95.9Very high81.6Confident20 Ų2030.1 Ų30.110%0.10319%0.186CC..EExtended strand (participates in β ladder)trans-79123.6-179.5-66.3169.7000108.7R240 Y243 V259 R262 D461 G462 V464R240-I257 HydrophobicContact CG-CG2 3.98Å; Y243-I257 HydrophobicContact CD1-CG1 4.33Å; Y243-I257 HydrophobicContact CE1-CG1 4.12Å; I257-V259 HydrophobicContact CG2-CG1 4.19Å; I257-R262 PolarHBondContact O-NH1 2.91Å; I257-D461 HydrophobicContact CB-CB 4.11Å; I257-D461 HydrophobicContact CG2-CB 3.92Å; I257-G462 PolarHBondContact N-O 3.12Å; I257-G462 VanDerWaalsContact N-O 3.08Å; I257-V464 HydrophobicContact CG1-CG2 4.31Å
258V97Very high83.3Confident0 Ų026.1 Ų26.10%016%0.158CC..EExtended strand (participates in β ladder)trans-113.4119172.1-176.60000109.2L241 F242 I244 I295 T387L241-V258 PolarHBondContact N-O 3.01Å; F242-V258 HydrophobicContact CD2-CB 3.74Å; F242-V258 HydrophobicContact CD2-CG1 4.19Å; F242-V258 HydrophobicContact CD2-CG2 4.1Å; F242-V258 HydrophobicContact CE2-CB 3.66Å; F242-V258 HydrophobicContact CE2-CG1 3.68Å; F242-V258 HydrophobicContact CE2-CG2 3.88Å; F242-V258 HydrophobicContact CZ-CG1 4.27Å; F242-V258 PolarHBondContact N-O 3.16Å; F242-V258 WeakPolarHBondContact O-CB 3.29Å; F242-V258 PolarHBondContact O-N 3.04Å; I244-V258 HydrophobicContact CB-CG2 4.44Å; I244-V258 HydrophobicContact CD1-CG2 4.2Å; I244-V258 HydrophobicContact CG1-CG2 4.27Å; V258-I295 HydrophobicContact CG1-CD1 4.05Å; V258-T387 HydrophobicContact CG2-CG2 4.1Å
259V96.7Very high85.7Confident4 Ų426.3 Ų26.32%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-96.1160.6176.2-61.60000111.1T238 D239 I257 S261 R262 Y263T238-V259 WeakPolarHBondContact O-CG1 3.45Å; D239-V259 WeakPolarHBondContact O-CA 3.4Å; D239-V259 VanDerWaalsContact O-CB 3.27Å; D239-V259 WeakPolarHBondContact O-CB 3.31Å; I257-V259 HydrophobicContact CG2-CG1 4.19Å; V259-S261 VanDerWaalsContact C-N 3.3Å; V259-S261 WeakPolarHBondContact CG2-OG 3.29Å; V259-S261 PolarHBondContact O-N 3.14Å; V259-R262 HydrophobicContact CG2-CB 3.91Å; V259-R262 PolarHBondContact O-N 3.16Å; V259-R262 VanDerWaalsContact O-N 3.11Å; V259-Y263 PolarHBondContact O-N 2.94Å; V259-Y263 VanDerWaalsContact O-N 3.17Å
260H97.3Very high88.4Confident5 Ų522.2 Ų22.22%0.02313%0.13CC..Hα-helixtrans-55.1-43.2-178.8-69.8-74.3000113.1L76 C236 F237 D239 L241 R262 Y263 Y264L76-H260 HydrophobicContact CD2-CB 3.55Å; L76-H260 WeakPolarHBondContact CD2-O 3.34Å; L76-H260 PolarHBondContact N-ND1 3.1Å; L76-H260 VanDerWaalsContact N-ND1 3.16Å; C236-H260 PolarHBondContact O-CD2 2.84Å; F237-H260 HydrophobicContact CD2-CB 3.99Å; F237-H260 CarbonylContact O-C 3.18Å; F237-H260 WeakPolarHBondContact O-CB 3.47Å; D239-H260 PolarHBondContact O-CD2 3.23Å; D239-H260 PolarHBondContact O-N 2.92Å; L241-H260 VanDerWaalsContact CD1-CE1 3.44Å; L241-H260 WeakPolarHBondContact CD1-CE1 3.3Å; H260-R262 VanDerWaalsContact C-N 3.29Å; H260-R262 PolarHBondContact O-N 2.87Å; H260-Y263 WeakPolarHBondContact O-CB 3.37Å; H260-Y263 PolarHBondContact O-N 3.33Å; H260-Y264 PolarHBondContact O-N 3.17Å
261S95.9Very high91Very high5 Ų517.4 Ų17.44%0.03510%0.097CC..Hα-helixtrans-63-34.3-179.962.20000113.1F237 V259 R265F237-S261 WeakPolarHBondContact O-CA 3.39Å; F237-S261 WeakPolarHBondContact O-CB 3.48Å; F237-S261 PolarHBondContact O-N 3.16Å; F237-S261 PolarHBondContact O-OG 3.28Å; V259-S261 VanDerWaalsContact C-N 3.3Å; V259-S261 WeakPolarHBondContact CG2-OG 3.29Å; V259-S261 PolarHBondContact O-N 3.14Å; S261-R265 VanDerWaalsContact O-CB 3.26Å; S261-R265 WeakPolarHBondContact O-CB 3.47Å; S261-R265 PolarHBondContact O-N 2.82Å
262R95.4Very high93Very high8 Ų816.3 Ų16.33%0.038%0.077CC..Hα-helixtrans-69.7-46.9176.3-175-179.9-55.7165.35111I257 V259 H260 Y264 R265 M266 T387 D461I257-R262 PolarHBondContact O-NH1 2.91Å; V259-R262 HydrophobicContact CG2-CB 3.91Å; V259-R262 PolarHBondContact O-N 3.16Å; V259-R262 VanDerWaalsContact O-N 3.11Å; H260-R262 VanDerWaalsContact C-N 3.29Å; H260-R262 PolarHBondContact O-N 2.87Å; R262-Y264 VanDerWaalsContact C-N 3.29Å; R262-Y264 PolarHBondContact O-N 3.12Å; R262-R265 PolarHBondContact O-N 3.17Å; R262-M266 HydrophobicContact CG-CG 4.3Å; R262-M266 HydrophobicContact CG-SD 3.9Å; R262-M266 WeakPolarHBondContact O-CG 2.9Å; R262-M266 PolarHBondContact O-N 2.61Å; R262-T387 WeakPolarHBondContact CD-O 3.28Å; R262-T387 PolarHBondContact NH1-O 2.93Å; R262-D461 IonicContact CZ-OD2 3.48Å; R262-D461 IonicContact NE-OD2 3.3Å; R262-D461 VanDerWaalsContact NH2-CB 3.29Å; R262-D461 IonicContact NH2-OD2 2.81Å; R262-D461 PolarHBondContact NH2-OD2 3.4Å
263Y97.2Very high94.4Very high0 Ų012.3 Ų12.30%06%0.058CC..Hα-helixtrans-53.3-51.5175.5-172.5-73.2000110.2L76 W143 L241 F242 V259 H260 A267 N294 I295 G299 I303L76-Y263 HydrophobicContact CD1-CD1 3.58Å; L76-Y263 HydrophobicContact CD1-CE1 3.9Å; L76-Y263 HydrophobicContact CD1-CG 4.46Å; L76-Y263 HydrophobicContact CD2-CD1 4.2Å; L76-Y263 HydrophobicContact CD2-CG 4.37Å; L76-Y263 HydrophobicContact CG-CD1 3.75Å; L76-Y263 HydrophobicContact CG-CE1 4.3Å; L76-Y263 HydrophobicContact CG-CG 4.16Å; W143-Y263 HydrophobicContact CH2-CE2 4.04Å; W143-Y263 HydrophobicContact CZ2-CE2 4.22Å; L241-Y263 HydrophobicContact CD2-CD2 3.68Å; L241-Y263 HydrophobicContact CD2-CE2 4.45Å; L241-Y263 HydrophobicContact CD2-CG 3.94Å; F242-Y263 AromaticContact CE1-CD2 3.88Å; F242-Y263 HydrophobicContact CE1-CD2 3.88Å; F242-Y263 AromaticContact CE1-CE2 3.92Å; F242-Y263 HydrophobicContact CE1-CE2 3.92Å; F242-Y263 AromaticContact CZ-CD2 3.64Å; F242-Y263 HydrophobicContact CZ-CD2 3.64Å; F242-Y263 AromaticContact CZ-CE2 3.86Å; F242-Y263 HydrophobicContact CZ-CE2 3.86Å; V259-Y263 PolarHBondContact O-N 2.94Å; V259-Y263 VanDerWaalsContact O-N 3.17Å; H260-Y263 WeakPolarHBondContact O-CB 3.37Å; H260-Y263 PolarHBondContact O-N 3.33Å; Y263-A267 PolarHBondContact O-N 3.46Å; Y263-N294 WeakPolarHBondContact CE2-OD1 3.25Å; Y263-N294 PolarHBondContact OH-O 2.91Å; Y263-I295 HydrophobicContact CD1-CG2 4.34Å; Y263-I295 HydrophobicContact CD2-CB 4.29Å; Y263-I295 HydrophobicContact CD2-CD1 4.09Å; Y263-I295 HydrophobicContact CD2-CG1 3.65Å; Y263-I295 HydrophobicContact CD2-CG2 4.04Å; Y263-I295 HydrophobicContact CE2-CB 4.23Å; Y263-I295 HydrophobicContact CE2-CG1 3.74Å; Y263-I295 HydrophobicContact CE2-CG2 4.29Å; Y263-I295 HydrophobicContact CG-CG1 4.46Å; Y263-I295 HydrophobicContact CG-CG2 4.05Å; Y263-I295 WeakPolarHBondContact O-CG2 3.45Å; Y263-G299 VanDerWaalsContact OH-CA 3.22Å; Y263-G299 WeakPolarHBondContact OH-CA 3.37Å; Y263-G299 PolarHBondContact OH-N 3.04Å; Y263-I303 HydrophobicContact CD1-CD1 3.98Å; Y263-I303 HydrophobicContact CE1-CD1 3.97Å
264Y97.4Very high95.4Very high5 Ų511.5 Ų11.52%0.025%0.053CC..Hα-helixtrans-59.8-49.3177.6-179.5-88.8000112.5N65 V66 H69 I79 F237 H260 R262 M266 A267 A268 I303N65-Y264 HydrophobicContact CB-CE1 3.97Å; N65-Y264 WeakPolarHBondContact CB-OH 3.49Å; N65-Y264 PolarHBondContact ND2-OH 3.4Å; V66-Y264 HydrophobicContact CG2-CD1 3.97Å; V66-Y264 HydrophobicContact CG2-CE1 4.14Å; H69-Y264 AromaticContact CD2-CE2 3.85Å; H69-Y264 AromaticContact CD2-CZ 3.84Å; H69-Y264 AromaticContact NE2-CE2 3.6Å; H69-Y264 AromaticContact NE2-CZ 3.8Å; I79-Y264 HydrophobicContact CD1-CD2 3.85Å; I79-Y264 HydrophobicContact CD1-CE2 4.36Å; F237-Y264 HydrophobicContact CE2-CG 4.15Å; F237-Y264 AromaticContact CZ-CD1 3.86Å; F237-Y264 HydrophobicContact CZ-CD1 3.86Å; F237-Y264 HydrophobicContact CZ-CD2 4.43Å; F237-Y264 AromaticContact CZ-CG 3.68Å; F237-Y264 HydrophobicContact CZ-CG 3.68Å; H260-Y264 PolarHBondContact O-N 3.17Å; R262-Y264 VanDerWaalsContact C-N 3.29Å; R262-Y264 PolarHBondContact O-N 3.12Å; Y264-M266 PolarHBondContact O-N 3.5Å; Y264-A267 PolarHBondContact O-N 3.08Å; Y264-A268 HydrophobicContact CD1-CB 4.25Å; Y264-A268 HydrophobicContact CE1-CB 3.88Å; Y264-A268 WeakPolarHBondContact O-CB 3.34Å; Y264-A268 PolarHBondContact O-N 2.93Å; Y264-I303 HydrophobicContact CD2-CD1 3.98Å; Y264-I303 HydrophobicContact CD2-CG2 3.94Å; Y264-I303 HydrophobicContact CE2-CG2 3.66Å
265R94.3Very high96Very high17 Ų1716.6 Ų16.66%0.0647%0.07CC..Hα-helixtrans-59.3-46.2-177.2-179.9-175.967.884.7-4.3111.7V62 S261 R262 L269 C389 S392 L457V62-R265 HydrophobicContact CG1-CG 4.43Å; S261-R265 VanDerWaalsContact O-CB 3.26Å; S261-R265 WeakPolarHBondContact O-CB 3.47Å; S261-R265 PolarHBondContact O-N 2.82Å; R262-R265 PolarHBondContact O-N 3.17Å; R265-L269 VanDerWaalsContact O-CB 3.23Å; R265-L269 WeakPolarHBondContact O-CB 3.24Å; R265-L269 PolarHBondContact O-N 2.94Å; R265-C389 PolarHBondContact NH2-O 2.64Å; R265-S392 PolarHBondContact NH1-OG 3.12Å; R265-L457 HydrophobicContact CG-CD2 4.07Å
266M95.1Very high96.4Very high25 Ų2517 Ų1712%0.1237%0.072CC..Hα-helixtrans-62.3-49.4-178.8-71.9177.269.300111R262 Y264 V270 I295R262-M266 HydrophobicContact CG-CG 4.3Å; R262-M266 HydrophobicContact CG-SD 3.9Å; R262-M266 WeakPolarHBondContact O-CG 2.9Å; R262-M266 PolarHBondContact O-N 2.61Å; Y264-M266 PolarHBondContact O-N 3.5Å; M266-V270 PolarHBondContact O-N 3.28Å; M266-I295 HydrophobicContact CB-CG2 3.66Å; M266-I295 HydrophobicContact CE-CD1 4.46Å; M266-I295 HydrophobicContact SD-CD1 4.06Å; M266-I295 HydrophobicContact SD-CG2 4.3Å
267A96.9Very high96.6Very high0 Ų019.6 Ų19.60%09%0.088CC..Hα-helixtrans-63.6-46.6178.300000112.2Y263 Y264 L269 V270 Y271 Q300 I303Y263-A267 PolarHBondContact O-N 3.46Å; Y264-A267 PolarHBondContact O-N 3.08Å; A267-L269 PolarHBondContact O-N 3.49Å; A267-V270 WeakPolarHBondContact O-CG2 3.28Å; A267-V270 PolarHBondContact O-N 3.46Å; A267-Y271 WeakPolarHBondContact O-CB 3.33Å; A267-Y271 PolarHBondContact O-N 2.93Å; A267-Q300 PolarHBondContact O-NE2 2.84Å; A267-I303 HydrophobicContact CB-CD1 3.7Å
268A96.8Very high96.7Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-66.6-36-178.300000113V62 Y264 Y271 Y272V62-A268 HydrophobicContact CG2-CB 4.15Å; Y264-A268 HydrophobicContact CD1-CB 4.25Å; Y264-A268 HydrophobicContact CE1-CB 3.88Å; Y264-A268 WeakPolarHBondContact O-CB 3.34Å; Y264-A268 PolarHBondContact O-N 2.93Å; A268-Y271 PolarHBondContact O-N 3.38Å; A268-Y272 HydrophobicContact CB-CD2 4.18Å; A268-Y272 HydrophobicContact CB-CE2 3.99Å; A268-Y272 WeakPolarHBondContact O-CD2 3.3Å; A268-Y272 PolarHBondContact O-N 3.31Å
269L94.8Very high96.8Very high24 Ų2426.8 Ų26.813%0.12613%0.129CC..Hα-helixtrans-63-45.9179.9-175.670.3000111.2V58 L59 R265 A267 G273 F396V58-L269 HydrophobicContact CG1-CD1 4.02Å; L59-L269 HydrophobicContact CD2-CD1 4.37Å; R265-L269 VanDerWaalsContact O-CB 3.23Å; R265-L269 WeakPolarHBondContact O-CB 3.24Å; R265-L269 PolarHBondContact O-N 2.94Å; A267-L269 PolarHBondContact O-N 3.49Å; L269-G273 VanDerWaalsContact O-CA 3.28Å; L269-G273 WeakPolarHBondContact O-CA 3.42Å; L269-G273 PolarHBondContact O-N 2.88Å; L269-F396 HydrophobicContact CD1-CZ 4.38Å
270V96Very high96.9Very high7 Ų726.8 Ų26.84%0.04213%0.129CC..Hα-helixtrans-71.7-37.7177.7-60.80000111.4M266 A267 F274 M276 V296 L359 F383M266-V270 PolarHBondContact O-N 3.28Å; A267-V270 WeakPolarHBondContact O-CG2 3.28Å; A267-V270 PolarHBondContact O-N 3.46Å; V270-F274 HydrophobicContact CB-CD2 3.99Å; V270-F274 HydrophobicContact CB-CE2 4.27Å; V270-F274 HydrophobicContact CG1-CD2 4.41Å; V270-F274 HydrophobicContact CG1-CE2 4.19Å; V270-F274 WeakPolarHBondContact O-CB 3.37Å; V270-F274 WeakPolarHBondContact O-CD2 3.49Å; V270-F274 PolarHBondContact O-N 3.48Å; V270-M276 HydrophobicContact CB-CE 4.27Å; V270-M276 HydrophobicContact CG2-CE 4.32Å; V270-V296 HydrophobicContact CG2-CG1 4.33Å; V270-L359 HydrophobicContact CB-CD1 4.26Å; V270-L359 HydrophobicContact CG1-CD1 4.47Å; V270-F383 HydrophobicContact CG1-CD1 4.31Å; V270-F383 HydrophobicContact CG1-CG 4.43Å
271Y98Very high97Very high25 Ų2527.6 Ų27.610%0.09813%0.134CC..Hα-helixtrans-58.7-57.1178.3-175.8-93.9000112A267 A268 R275 M276 P278 H304 M306A267-Y271 WeakPolarHBondContact O-CB 3.33Å; A267-Y271 PolarHBondContact O-N 2.93Å; A268-Y271 PolarHBondContact O-N 3.38Å; Y271-R275 PolarHBondContact O-N 2.94Å; Y271-R275 VanDerWaalsContact O-N 3.12Å; Y271-M276 HydrophobicContact CD2-CB 3.45Å; Y271-M276 VanDerWaalsContact CD2-CB 3.45Å; Y271-M276 HydrophobicContact CD2-CG 4.47Å; Y271-M276 HydrophobicContact CD2-SD 4.39Å; Y271-M276 HydrophobicContact CE2-CB 3.7Å; Y271-M276 HydrophobicContact CG-CB 4.12Å; Y271-M276 VanDerWaalsContact CZ-O 3.27Å; Y271-M276 PolarHBondContact O-N 2.9Å; Y271-P278 WeakPolarHBondContact OH-CD 3.3Å; Y271-H304 AromaticContact CD1-CE1 3.66Å; Y271-H304 AromaticContact CD1-CG 3.94Å; Y271-H304 AromaticContact CD1-ND1 3.64Å; Y271-H304 AromaticContact CD1-NE2 3.98Å; Y271-H304 HydrophobicContact CD2-CB 3.64Å; Y271-H304 AromaticContact CD2-CD2 3.57Å; Y271-H304 AromaticContact CD2-CG 3.49Å; Y271-H304 VanDerWaalsContact CD2-CG 3.49Å; Y271-H304 HydrophobicContact CE1-CB 4.44Å; Y271-H304 AromaticContact CE1-ND1 3.7Å; Y271-H304 HydrophobicContact CE2-CB 3.37Å; Y271-H304 AromaticContact CE2-CG 3.65Å; Y271-H304 HydrophobicContact CG-CB 4.3Å; Y271-H304 AromaticContact CG-CD2 3.53Å; Y271-H304 AromaticContact CG-CE1 3.82Å; Y271-H304 AromaticContact CG-CG 3.65Å; Y271-H304 AromaticContact CG-ND1 3.83Å; Y271-H304 AromaticContact CG-NE2 3.67Å; Y271-H304 AromaticContact CZ-CG 3.92Å; Y271-H304 AromaticContact CZ-ND1 3.93Å; Y271-M306 HydrophobicContact CD2-SD 4Å; Y271-M306 HydrophobicContact CE2-CG 4.5Å; Y271-M306 HydrophobicContact CE2-SD 3.83Å
272Y97.6Very high97.1Very high27 Ų2727.4 Ų27.411%0.10613%0.133CC..Hα-helixtrans-73.4-36.2-179.7-62.6-55.1000112R61 V62 N65 A268R61-Y272 HydrophobicContact CG-CE2 4.31Å; R61-Y272 VanDerWaalsContact NE-CE1 3.26Å; V62-Y272 HydrophobicContact CG2-CD2 3.77Å; V62-Y272 HydrophobicContact CG2-CE2 4.31Å; N65-Y272 PolarHBondContact ND2-OH 2.85Å; A268-Y272 HydrophobicContact CB-CD2 4.18Å; A268-Y272 HydrophobicContact CB-CE2 3.99Å; A268-Y272 WeakPolarHBondContact O-CD2 3.3Å; A268-Y272 PolarHBondContact O-N 3.31Å
273G96.4Very high97.3Very high2 Ų227 Ų272%0.02113%0.131CC..Hα-helixtrans-61.4-47-179.500000112.9H54 L269 F396H54-G273 PolarHBondContact NE2-O 3.23Å; L269-G273 VanDerWaalsContact O-CA 3.28Å; L269-G273 WeakPolarHBondContact O-CA 3.42Å; L269-G273 PolarHBondContact O-N 2.88Å; G273-F396 VanDerWaalsContact CA-CE1 3.44Å
274F97.4Very high97.3Very high1 Ų127 Ų270%0.00413%0.131CC..THydrogen-bonded Turntrans-101.212-177.9-58.7-67.4000114V270 M276 M357 L359 A381 E382 F383 F396V270-F274 HydrophobicContact CB-CD2 3.99Å; V270-F274 HydrophobicContact CB-CE2 4.27Å; V270-F274 HydrophobicContact CG1-CD2 4.41Å; V270-F274 HydrophobicContact CG1-CE2 4.19Å; V270-F274 WeakPolarHBondContact O-CB 3.37Å; V270-F274 WeakPolarHBondContact O-CD2 3.49Å; V270-F274 PolarHBondContact O-N 3.48Å; F274-M276 VanDerWaalsContact C-N 3.34Å; F274-M276 HydrophobicContact CB-CE 4.35Å; F274-M276 PolarHBondContact O-N 2.77Å; F274-M357 HydrophobicContact CB-CE 4.39Å; F274-M357 HydrophobicContact CB-SD 3.73Å; F274-M357 HydrophobicContact CG-SD 4.47Å; F274-L359 HydrophobicContact CD2-CD1 3.99Å; F274-L359 HydrophobicContact CE2-CD1 4.15Å; F274-A381 HydrophobicContact CB-CB 4.04Å; F274-A381 HydrophobicContact CD1-CB 3.41Å; F274-A381 VanDerWaalsContact CD1-CB 3.41Å; F274-A381 HydrophobicContact CD2-CB 3.72Å; F274-A381 VanDerWaalsContact CE1-CA 3.46Å; F274-A381 HydrophobicContact CE1-CB 3.64Å; F274-A381 HydrophobicContact CE2-CB 3.94Å; F274-A381 HydrophobicContact CG-CB 3.45Å; F274-A381 VanDerWaalsContact CG-CB 3.45Å; F274-A381 HydrophobicContact CZ-CB 3.9Å; F274-E382 WeakPolarHBondContact CZ-O 3.26Å; F274-F383 HydrophobicContact CE2-CB 4.47Å; F274-F396 HydrophobicContact CD1-CD1 4.06Å; F274-F396 AromaticContact CE1-CD1 3.73Å; F274-F396 HydrophobicContact CE1-CD1 3.73Å; F274-F396 HydrophobicContact CE1-CE1 4.31Å; F274-F396 HydrophobicContact CE2-CD1 4.41Å; F274-F396 HydrophobicContact CE2-CE1 4.18Å; F274-F396 AromaticContact CZ-CD1 3.91Å; F274-F396 HydrophobicContact CZ-CD1 3.91Å; F274-F396 HydrophobicContact CZ-CE1 4.05Å
275R96.8Very high97.1Very high173 Ų17327 Ų2765%0.65313%0.131SC*.THydrogen-bonded Turntrans56.347.9172.9-51.9176.7-178.5-174-1.8111.9Y271 R356Y271-R275 PolarHBondContact O-N 2.94Å; Y271-R275 VanDerWaalsContact O-N 3.12Å; R275-R356 PolarHBondContact O-NH2 2.88Å
276M98.1Very high97Very high8 Ų826.2 Ų26.24%0.03913%0.129CC..  trans-70.7155.9168.4-62.6176.4-165.300109.9V270 Y271 F274 Q300 M306 I330 M357 L359V270-M276 HydrophobicContact CB-CE 4.27Å; V270-M276 HydrophobicContact CG2-CE 4.32Å; Y271-M276 HydrophobicContact CD2-CB 3.45Å; Y271-M276 VanDerWaalsContact CD2-CB 3.45Å; Y271-M276 HydrophobicContact CD2-CG 4.47Å; Y271-M276 HydrophobicContact CD2-SD 4.39Å; Y271-M276 HydrophobicContact CE2-CB 3.7Å; Y271-M276 HydrophobicContact CG-CB 4.12Å; Y271-M276 VanDerWaalsContact CZ-O 3.27Å; Y271-M276 PolarHBondContact O-N 2.9Å; F274-M276 VanDerWaalsContact C-N 3.34Å; F274-M276 HydrophobicContact CB-CE 4.35Å; F274-M276 PolarHBondContact O-N 2.77Å; M276-Q300 HydrophobicContact SD-CG 4.2Å; M276-M306 HydrophobicContact CB-SD 3.98Å; M276-M306 HydrophobicContact SD-CE 4.4Å; M276-M306 HydrophobicContact SD-SD 4.35Å; M276-I330 HydrophobicContact CG-CD1 3.89Å; M276-I330 HydrophobicContact SD-CD1 4.3Å; M276-M357 HydrophobicContact CE-CE 3.65Å; M276-M357 HydrophobicContact CG-CE 3.8Å; M276-M357 HydrophobicContact SD-CE 4.43Å; M276-L359 HydrophobicContact CE-CD1 3.67Å; M276-L359 HydrophobicContact CE-CD2 3.44Å; M276-L359 VanDerWaalsContact CE-CD2 3.44Å; M276-L359 HydrophobicContact CE-CG 4.05Å
277T98.3Very high96.8Very high56 Ų5625.4 Ų25.434%0.34413%0.125SC..  trans-130.2158-179.868.60000109.2D279 D280 M306T277-D279 PolarHBondContact O-N 3.24Å; T277-D279 VanDerWaalsContact O-N 3.16Å; T277-D280 PolarHBondContact N-OD2 2.82Å; T277-D280 WeakPolarHBondContact O-CB 3.24Å; T277-D280 PolarHBondContact O-N 2.76Å; T277-D280 PolarHBondContact OG1-OD2 3.24Å; T277-M306 WeakPolarHBondContact O-CG 3.2Å; T277-M306 VanDerWaalsContact O-SD 3.42Å
278P98.1Very high96.8Very high38 Ų3825.4 Ų25.425%0.24713%0.125CC..THydrogen-bonded Turntrans-58.2-28.4175.8-22.536.1000112.2K90 Y271 D280 H304 M306K90-P278 VanDerWaalsContact NZ-C 3.34Å; K90-P278 PolarHBondContact NZ-O 2.76Å; Y271-P278 WeakPolarHBondContact OH-CD 3.3Å; P278-D280 PolarHBondContact O-N 2.85Å; P278-H304 WeakPolarHBondContact CB-O 3.47Å; P278-M306 WeakPolarHBondContact O-CA 3.47Å
279D98.1Very high96.6Very high132 Ų13225.5 Ų25.571%0.70613%0.126SC*.THydrogen-bonded Turntrans-75.7-9.6-177.2-59-34.9000114T277T277-D279 PolarHBondContact O-N 3.24Å; T277-D279 VanDerWaalsContact O-N 3.16Å
280D98.7Very high96.5Very high5 Ų525.5 Ų25.53%0.02713%0.125CC..  trans-67.3143.6175.1-73.8-66.5000112.2T277 P278 M306 T307 T329 I330 R356T277-D280 PolarHBondContact N-OD2 2.82Å; T277-D280 WeakPolarHBondContact O-CB 3.24Å; T277-D280 PolarHBondContact O-N 2.76Å; T277-D280 PolarHBondContact OG1-OD2 3.24Å; P278-D280 PolarHBondContact O-N 2.85Å; D280-M306 HydrophobicContact CB-CE 3.63Å; D280-M306 HydrophobicContact CB-SD 4.28Å; D280-T307 PolarHBondContact O-N 3.1Å; D280-T329 VanDerWaalsContact CA-OG1 3.27Å; D280-T329 WeakPolarHBondContact CA-OG1 3.37Å; D280-T329 WeakPolarHBondContact CB-OG1 3.2Å; D280-T329 PolarHBondContact OD1-OG1 3.28Å; D280-I330 HydrophobicContact CB-CD1 3.67Å; D280-I330 HydrophobicContact CB-CG1 4.28Å; D280-R356 IonicContact OD1-CZ 3.6Å; D280-R356 IonicContact OD1-NE 2.63Å; D280-R356 PolarHBondContact OD1-NE 3.2Å; D280-R356 IonicContact OD1-NH2 3.97Å; D280-R356 PolarHBondContact OD1-NH2 3.48Å; D280-R356 IonicContact OD2-CZ 3.08Å; D280-R356 IonicContact OD2-NH2 3.44Å; D280-R356 PolarHBondContact OD2-NH2 3.22Å
281V98.8Very high96.3Very high22 Ų2226 Ų2613%0.13313%0.129CC..EExtended strand (participates in β ladder)trans-112.4111.2173.7-177.70000107.8T307 V309 T329 I330V281-T307 WeakPolarHBondContact CA-O 3.5Å; V281-T307 HydrophobicContact CG1-CG2 4.31Å; V281-V309 HydrophobicContact CG1-CG2 3.8Å; V281-T329 PolarHBondContact N-OG1 2.82Å; V281-T329 PolarHBondContact O-N 2.95Å; V281-T329 PolarHBondContact O-OG1 2.83Å; V281-I330 PolarHBondContact O-N 2.98Å; V281-I330 VanDerWaalsContact O-N 3.09Å
282L98.9Very high95.9Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-94.8125.2-176.9-175.8153.7000110.4D284 Q300 M306 T307 V308 V309 I330 Q332 L359L282-D284 HydrophobicContact CD2-CB 3.71Å; L282-Q300 HydrophobicContact CD1-CG 4.2Å; L282-M306 HydrophobicContact CB-CE 4.05Å; L282-M306 HydrophobicContact CD1-CE 4.36Å; L282-T307 PolarHBondContact N-O 3.35Å; L282-V308 HydrophobicContact CB-CG2 4.31Å; L282-V308 HydrophobicContact CD2-CG1 4.18Å; L282-V308 HydrophobicContact CD2-CG2 4.45Å; L282-V308 CarbonylContact O-C 3.6Å; L282-V308 WeakPolarHBondContact O-CA 3.45Å; L282-V309 PolarHBondContact O-N 3.09Å; L282-I330 CarbonylContact C-O 3.6Å; L282-I330 WeakPolarHBondContact CA-O 3.41Å; L282-I330 HydrophobicContact CB-CB 4.42Å; L282-I330 HydrophobicContact CD1-CG2 4.27Å; L282-I330 HydrophobicContact CG-CB 4.46Å; L282-I330 HydrophobicContact CG-CG2 4.28Å; L282-Q332 HydrophobicContact CD2-CB 4.38Å; L282-L359 HydrophobicContact CD1-CD2 4.14Å
283Y98.8Very high95.8Very high0 Ų024.2 Ų24.20%013%0.125CC..EExtended strand (participates in β ladder)trans-89.8111.9171.5-175.6-103.6000110.6C285 V309 R311 F319 D322 I330 Q332Y283-C285 HydrophobicContact CE1-CB 4Å; Y283-V309 HydrophobicContact CD2-CB 4.09Å; Y283-V309 HydrophobicContact CD2-CG1 3.88Å; Y283-V309 HydrophobicContact CE2-CG1 4.27Å; Y283-R311 HydrophobicContact CE2-CB 4.31Å; Y283-R311 WeakPolarHBondContact OH-CD 3.45Å; Y283-F319 HydrophobicContact CD1-CD2 4.39Å; Y283-F319 AromaticContact CD1-CE2 3.94Å; Y283-F319 HydrophobicContact CD1-CE2 3.94Å; Y283-F319 HydrophobicContact CD1-CZ 4.07Å; Y283-F319 AromaticContact CE1-CD2 3.62Å; Y283-F319 HydrophobicContact CE1-CD2 3.62Å; Y283-F319 AromaticContact CE1-CE2 3.56Å; Y283-F319 HydrophobicContact CE1-CE2 3.56Å; Y283-F319 HydrophobicContact CE1-CG 4.21Å; Y283-F319 HydrophobicContact CE1-CZ 4.1Å; Y283-D322 HydrophobicContact CD2-CB 4.39Å; Y283-D322 HydrophobicContact CE2-CB 3.49Å; Y283-D322 VanDerWaalsContact CE2-CB 3.49Å; Y283-D322 PolarHBondContact OH-OD2 3.02Å; Y283-I330 PolarHBondContact N-O 3.24Å; Y283-Q332 WeakPolarHBondContact O-CB 3.21Å; Y283-Q332 PolarHBondContact O-N 3.03Å
284D98.3Very high95.9Very high0 Ų024.1 Ų24.10%012%0.124CC..EExtended strand (participates in β ladder)trans-111.3107-179.1-173.32.9000110.4L282 L286 G293 V308 V309 R311 Q332L282-D284 HydrophobicContact CD2-CB 3.71Å; D284-L286 WeakPolarHBondContact OD1-CA 3.39Å; D284-L286 WeakPolarHBondContact OD1-CB 3.45Å; D284-L286 PolarHBondContact OD1-N 3.15Å; D284-G293 WeakPolarHBondContact OD2-CA 3.2Å; D284-V308 HydrophobicContact CB-CG1 3.91Å; D284-V309 PolarHBondContact N-O 3.24Å; D284-R311 PolarHBondContact O-N 3.17Å; D284-Q332 PolarHBondContact OD1-OE1 3.39Å
285C93.8Very high95.9Very high4 Ų424.1 Ų24.13%0.02712%0.124CC..  trans-106.79.7172.564.80000112.7Y283 R311 F314Y283-C285 HydrophobicContact CE1-CB 4Å; C285-R311 HydrophobicContact CB-CB 4.07Å; C285-R311 HydrophobicContact CB-CG 4.49Å; C285-F314 HydrophobicContact CB-CB 4.46Å; C285-F314 HydrophobicContact CB-CD2 4.48Å
286L91.6Very high95.9Very high2 Ų216 Ų161%0.019%0.094CC..SBendtrans-90.3154.8-179.2-56.6-171.9000110.8N135 D284 L288 A292 Q332 I334 I337N135-L286 PolarHBondContact ND2-O 3.26Å; D284-L286 WeakPolarHBondContact OD1-CA 3.39Å; D284-L286 WeakPolarHBondContact OD1-CB 3.45Å; D284-L286 PolarHBondContact OD1-N 3.15Å; L286-L288 PolarHBondContact O-N 2.94Å; L286-A292 HydrophobicContact CD1-CB 3.63Å; L286-Q332 HydrophobicContact CD1-CB 4.46Å; L286-Q332 HydrophobicContact CD1-CG 3.68Å; L286-Q332 HydrophobicContact CG-CG 4.29Å; L286-I334 HydrophobicContact CD1-CG2 3.82Å; L286-I334 HydrophobicContact CD2-CD1 4.22Å; L286-I334 HydrophobicContact CD2-CG1 4.23Å; L286-I334 HydrophobicContact CD2-CG2 3.99Å; L286-I337 HydrophobicContact CD2-CD1 3.56Å
287P90.6Very high95.8Very high8 Ų815.6 Ų15.65%0.0529%0.092CC..  trans-65.4130.6-177.1-17.428.6000112.9N135 F158 Y289 H290 G592 T593N135-P287 WeakPolarHBondContact OD1-CA 3.36Å; F158-P287 HydrophobicContact CE1-CB 4.36Å; P287-Y289 HydrophobicContact CB-CD1 3.67Å; P287-Y289 HydrophobicContact CB-CE1 3.26Å; P287-Y289 HydrophobicContact CB-CE2 4.25Å; P287-Y289 HydrophobicContact CB-CG 4.29Å; P287-Y289 HydrophobicContact CG-CE1 4.1Å; P287-Y289 PolarHBondContact O-N 3.01Å; P287-H290 PolarHBondContact O-N 3Å; P287-G592 WeakPolarHBondContact CG-O 3.37Å; P287-T593 HydrophobicContact CG-CG2 4.39Å
288L96.5Very high95.9Very high0 Ų013 Ų130%08%0.075CC..THydrogen-bonded Turntrans-73.6-10.1179.7-65.3-175.6000113.8N135 Y139 V140 L286 H290 N294 V298 I310N135-L288 HydrophobicContact CB-CD1 4.3Å; N135-L288 HydrophobicContact CB-CG 4.28Å; N135-L288 WeakPolarHBondContact OD1-CG 3.35Å; N135-L288 PolarHBondContact OD1-N 2.95Å; Y139-L288 HydrophobicContact CD1-CB 3.69Å; Y139-L288 HydrophobicContact CD1-CD1 4.2Å; Y139-L288 HydrophobicContact CD2-CB 4.33Å; Y139-L288 HydrophobicContact CE1-CB 3.84Å; Y139-L288 VanDerWaalsContact CE1-O 3.27Å; Y139-L288 WeakPolarHBondContact CE1-O 3.35Å; Y139-L288 HydrophobicContact CE2-CB 4.5Å; Y139-L288 HydrophobicContact CG-CB 4Å; Y139-L288 HydrophobicContact CG-CD1 4.1Å; V140-L288 HydrophobicContact CG2-CD1 4.22Å; L286-L288 PolarHBondContact O-N 2.94Å; L288-H290 VanDerWaalsContact C-N 3.26Å; L288-N294 VanDerWaalsContact O-CB 3.29Å; L288-N294 WeakPolarHBondContact O-CB 3.25Å; L288-N294 PolarHBondContact O-ND2 2.83Å; L288-V298 HydrophobicContact CD2-CG2 3.67Å; L288-I310 HydrophobicContact CD1-CD1 4.1Å; L288-I310 HydrophobicContact CD1-CG2 4.02Å
289Y93.6Very high95.9Very high2 Ų211.1 Ų11.11%0.0086%0.064CC..THydrogen-bonded Turntrans-80.5-9.4168.467-101.3000112.9Y139 I156 N157 F158 P287 G592Y139-Y289 VanDerWaalsContact OH-CA 3.25Å; Y139-Y289 WeakPolarHBondContact OH-CA 3.29Å; Y139-Y289 VanDerWaalsContact OH-CB 3.29Å; Y139-Y289 WeakPolarHBondContact OH-CB 3.22Å; I156-Y289 WeakPolarHBondContact O-CB 3.49Å; N157-Y289 VanDerWaalsContact CA-CE2 3.5Å; N157-Y289 HydrophobicContact CB-CD2 3.75Å; N157-Y289 HydrophobicContact CB-CE1 4.28Å; N157-Y289 HydrophobicContact CB-CE2 3.31Å; N157-Y289 HydrophobicContact CB-CG 4.41Å; N157-Y289 VanDerWaalsContact CG-CE2 3.46Å; N157-Y289 VanDerWaalsContact CG-OH 3.3Å; N157-Y289 PolarHBondContact OD1-OH 3.04Å; F158-Y289 AromaticContact CD1-CD1 3.52Å; F158-Y289 HydrophobicContact CD1-CD1 3.52Å; F158-Y289 AromaticContact CD1-CE1 3.41Å; F158-Y289 HydrophobicContact CD1-CE1 3.41Å; F158-Y289 VanDerWaalsContact CD1-CE1 3.41Å; F158-Y289 AromaticContact CE1-CD1 3.72Å; F158-Y289 HydrophobicContact CE1-CD1 3.72Å; F158-Y289 AromaticContact CE1-CE1 3.37Å; F158-Y289 HydrophobicContact CE1-CE1 3.37Å; F158-Y289 HydrophobicContact CE2-CE1 4.47Å; F158-Y289 HydrophobicContact CG-CD1 4.37Å; F158-Y289 HydrophobicContact CG-CE1 4.03Å; F158-Y289 AromaticContact CZ-CE1 3.92Å; F158-Y289 HydrophobicContact CZ-CE1 3.92Å; P287-Y289 HydrophobicContact CB-CD1 3.67Å; P287-Y289 HydrophobicContact CB-CE1 3.26Å; P287-Y289 HydrophobicContact CB-CE2 4.25Å; P287-Y289 HydrophobicContact CB-CG 4.29Å; P287-Y289 HydrophobicContact CG-CE1 4.1Å; P287-Y289 PolarHBondContact O-N 3.01Å; Y289-G592 WeakPolarHBondContact OH-CA 3.44Å
290H91.2Very high95.9Very high24 Ų244.9 Ų4.911%0.1113%0.03CC..SBendtrans-103.6156.2176.6-90.1-60.9000112.2P287 L288 A292 G293 N294 T593P287-H290 PolarHBondContact O-N 3Å; L288-H290 VanDerWaalsContact C-N 3.26Å; H290-A292 PolarHBondContact O-N 2.9Å; H290-G293 PolarHBondContact O-N 3.11Å; H290-N294 VanDerWaalsContact O-CB 3.28Å; H290-N294 WeakPolarHBondContact O-CB 3.47Å; H290-N294 PolarHBondContact O-N 3.07Å; H290-T593 HydrophobicContact CB-CG2 4.38Å; H290-T593 WeakPolarHBondContact CD2-CG2 3.4Å
291S93.1Very high95.9Very high17 Ų174.6 Ų4.612%0.1193%0.029CC..Hα-helixtrans-64.5-28.4-178.550.60000113.1I295 V296 T387S291-I295 WeakPolarHBondContact O-CA 3.47Å; S291-I295 VanDerWaalsContact O-CB 3.26Å; S291-I295 WeakPolarHBondContact O-CB 3.34Å; S291-I295 PolarHBondContact O-N 3.31Å; S291-V296 PolarHBondContact O-N 2.91Å; S291-V296 VanDerWaalsContact O-N 3.08Å; S291-T387 PolarHBondContact OG-OG1 3.46Å
292A90.3Very high95.9Very high15 Ų153.7 Ų3.712%0.1242%0.023CC..Iπ-helixtrans-62.9-61.6175.700000111.3L286 H290 V296 G297 Q332L286-A292 HydrophobicContact CD1-CB 3.63Å; H290-A292 PolarHBondContact O-N 2.9Å; A292-V296 VanDerWaalsContact O-CB 3.3Å; A292-V296 WeakPolarHBondContact O-CB 3.35Å; A292-V296 PolarHBondContact O-N 2.96Å; A292-G297 PolarHBondContact O-N 2.9Å; A292-Q332 VanDerWaalsContact C-NE2 3.33Å; A292-Q332 PolarHBondContact O-NE2 2.08Å
293G94.9Very high95.9Very high0 Ų04 Ų40%03%0.025CC..Iπ-helixtrans-65.3-47.3178.700000112.3D284 H290 G297 V298D284-G293 WeakPolarHBondContact OD2-CA 3.2Å; H290-G293 PolarHBondContact O-N 3.11Å; G293-G297 CarbonylContact O-C 3.53Å; G293-G297 VanDerWaalsContact O-CA 3.27Å; G293-G297 WeakPolarHBondContact O-CA 3.45Å; G293-G297 PolarHBondContact O-N 2.88Å; G293-V298 PolarHBondContact O-N 2.88Å
294N97.6Very high95.9Very high0 Ų04.7 Ų4.70%03%0.028CC..Iπ-helixtrans-73.4-49.7-173.5-157.9-65.1000114.2W143 Y263 L288 H290 V298 G299W143-N294 PolarHBondContact NE1-ND2 3.36Å; Y263-N294 WeakPolarHBondContact CE2-OD1 3.25Å; Y263-N294 PolarHBondContact OH-O 2.91Å; L288-N294 VanDerWaalsContact O-CB 3.29Å; L288-N294 WeakPolarHBondContact O-CB 3.25Å; L288-N294 PolarHBondContact O-ND2 2.83Å; H290-N294 VanDerWaalsContact O-CB 3.28Å; H290-N294 WeakPolarHBondContact O-CB 3.47Å; H290-N294 PolarHBondContact O-N 3.07Å; N294-V298 CarbonylContact O-C 3.45Å; N294-V298 WeakPolarHBondContact O-CA 3.29Å; N294-V298 VanDerWaalsContact O-CB 3.25Å; N294-V298 WeakPolarHBondContact O-CB 3.37Å; N294-V298 PolarHBondContact O-N 3.45Å; N294-G299 PolarHBondContact O-N 2.83Å
295I97.8Very high95.9Very high0 Ų04.7 Ų4.70%03%0.028CC..Iπ-helixtrans-91.5-48.5-171.3-49.7-178.5000110.3F242 I244 V258 Y263 M266 S291 G299F242-I295 HydrophobicContact CE2-CD1 4.33Å; F242-I295 HydrophobicContact CZ-CD1 4.21Å; F242-I295 HydrophobicContact CZ-CG1 4.15Å; I244-I295 HydrophobicContact CD1-CD1 4.23Å; V258-I295 HydrophobicContact CG1-CD1 4.05Å; Y263-I295 HydrophobicContact CD1-CG2 4.34Å; Y263-I295 HydrophobicContact CD2-CB 4.29Å; Y263-I295 HydrophobicContact CD2-CD1 4.09Å; Y263-I295 HydrophobicContact CD2-CG1 3.65Å; Y263-I295 HydrophobicContact CD2-CG2 4.04Å; Y263-I295 HydrophobicContact CE2-CB 4.23Å; Y263-I295 HydrophobicContact CE2-CG1 3.74Å; Y263-I295 HydrophobicContact CE2-CG2 4.29Å; Y263-I295 HydrophobicContact CG-CG1 4.46Å; Y263-I295 HydrophobicContact CG-CG2 4.05Å; Y263-I295 WeakPolarHBondContact O-CG2 3.45Å; M266-I295 HydrophobicContact CB-CG2 3.66Å; M266-I295 HydrophobicContact CE-CD1 4.46Å; M266-I295 HydrophobicContact SD-CD1 4.06Å; M266-I295 HydrophobicContact SD-CG2 4.3Å; S291-I295 WeakPolarHBondContact O-CA 3.47Å; S291-I295 VanDerWaalsContact O-CB 3.26Å; S291-I295 WeakPolarHBondContact O-CB 3.34Å; S291-I295 PolarHBondContact O-N 3.31Å; I295-G299 VanDerWaalsContact O-CA 3.29Å; I295-G299 WeakPolarHBondContact O-CA 3.42Å; I295-G299 PolarHBondContact O-N 3.39Å
296V96.4Very high96.1Very high3 Ų34.5 Ų4.52%0.0183%0.027CC..Iπ-helixtrans-75.3-36.7-178.1174.90000111.4V270 S291 A292 Q300 L359 F383V270-V296 HydrophobicContact CG2-CG1 4.33Å; S291-V296 PolarHBondContact O-N 2.91Å; S291-V296 VanDerWaalsContact O-N 3.08Å; A292-V296 VanDerWaalsContact O-CB 3.3Å; A292-V296 WeakPolarHBondContact O-CB 3.35Å; A292-V296 PolarHBondContact O-N 2.96Å; V296-Q300 VanDerWaalsContact O-CG 3.26Å; V296-Q300 WeakPolarHBondContact O-CG 3.3Å; V296-Q300 PolarHBondContact O-NE2 3.13Å; V296-L359 HydrophobicContact CG1-CD1 4.49Å; V296-L359 HydrophobicContact CG1-CD2 3.58Å; V296-L359 HydrophobicContact CG1-CG 4.06Å; V296-F383 HydrophobicContact CB-CZ 4.45Å; V296-F383 HydrophobicContact CG1-CE1 3.91Å; V296-F383 HydrophobicContact CG1-CZ 4.04Å; V296-F383 HydrophobicContact CG2-CE2 4.33Å; V296-F383 HydrophobicContact CG2-CZ 3.89Å
297G97.5Very high96.5Very high0 Ų05 Ų50%03%0.03CC..Iπ-helixtrans-83.2-79.3174.200000112.8A292 G293 G299 Q300A292-G297 PolarHBondContact O-N 2.9Å; G293-G297 CarbonylContact O-C 3.53Å; G293-G297 VanDerWaalsContact O-CA 3.27Å; G293-G297 WeakPolarHBondContact O-CA 3.45Å; G293-G297 PolarHBondContact O-N 2.88Å; G297-G299 PolarHBondContact O-N 3.27Å; G297-Q300 WeakPolarHBondContact O-CB 3.31Å; G297-Q300 WeakPolarHBondContact O-CG 3.43Å; G297-Q300 PolarHBondContact O-N 3.28Å
298V98.6Very high96.9Very high0 Ų04.7 Ų4.70%03%0.027CC..Iπ-helixtrans-60.1-28.8-175.3169.90000113.4V140 L288 G293 N294 Q300 C301 L302 V308V140-V298 HydrophobicContact CB-CG1 4.37Å; V140-V298 HydrophobicContact CG1-CG1 3.6Å; V140-V298 HydrophobicContact CG2-CB 4.5Å; V140-V298 HydrophobicContact CG2-CG1 3.8Å; V140-V298 HydrophobicContact CG2-CG2 3.92Å; L288-V298 HydrophobicContact CD2-CG2 3.67Å; G293-V298 PolarHBondContact O-N 2.88Å; N294-V298 CarbonylContact O-C 3.45Å; N294-V298 WeakPolarHBondContact O-CA 3.29Å; N294-V298 VanDerWaalsContact O-CB 3.25Å; N294-V298 WeakPolarHBondContact O-CB 3.37Å; N294-V298 PolarHBondContact O-N 3.45Å; V298-Q300 PolarHBondContact O-N 3.48Å; V298-C301 VanDerWaalsContact O-CB 3.28Å; V298-C301 WeakPolarHBondContact O-CB 3.36Å; V298-C301 PolarHBondContact O-N 2.85Å; V298-L302 HydrophobicContact CG1-CD1 4.06Å; V298-L302 HydrophobicContact CG1-CG 4.04Å; V298-L302 PolarHBondContact O-N 2.83Å; V298-L302 VanDerWaalsContact O-N 3.12Å; V298-V308 HydrophobicContact CG2-CG1 4.43Å
299G98.5Very high97Very high0 Ų04.7 Ų4.70%03%0.027CC..Hα-helixtrans-59.5-27.8175.300000113.9Y263 N294 I295 G297 C301 I303Y263-G299 VanDerWaalsContact OH-CA 3.22Å; Y263-G299 WeakPolarHBondContact OH-CA 3.37Å; Y263-G299 PolarHBondContact OH-N 3.04Å; N294-G299 PolarHBondContact O-N 2.83Å; I295-G299 VanDerWaalsContact O-CA 3.29Å; I295-G299 WeakPolarHBondContact O-CA 3.42Å; I295-G299 PolarHBondContact O-N 3.39Å; G297-G299 PolarHBondContact O-N 3.27Å; G299-C301 VanDerWaalsContact C-N 3.34Å; G299-I303 WeakPolarHBondContact O-CB 3.35Å; G299-I303 WeakPolarHBondContact O-CG1 3.36Å; G299-I303 PolarHBondContact O-N 3.36Å
300Q98.7Very high97.2Very high0 Ų04.6 Ų4.60%03%0.027CC..Hα-helixtrans-67.8-37.1174.4-51.9-46.7-37.200112.2A267 M276 L282 V296 G297 V298 H304 G305 M306A267-Q300 PolarHBondContact O-NE2 2.84Å; M276-Q300 HydrophobicContact SD-CG 4.2Å; L282-Q300 HydrophobicContact CD1-CG 4.2Å; V296-Q300 VanDerWaalsContact O-CG 3.26Å; V296-Q300 WeakPolarHBondContact O-CG 3.3Å; V296-Q300 PolarHBondContact O-NE2 3.13Å; G297-Q300 WeakPolarHBondContact O-CB 3.31Å; G297-Q300 WeakPolarHBondContact O-CG 3.43Å; G297-Q300 PolarHBondContact O-N 3.28Å; V298-Q300 PolarHBondContact O-N 3.48Å; Q300-H304 CarbonylContact O-C 3.51Å; Q300-H304 WeakPolarHBondContact O-CA 3.17Å; Q300-H304 VanDerWaalsContact O-CB 3.32Å; Q300-H304 WeakPolarHBondContact O-CB 3.49Å; Q300-H304 PolarHBondContact O-N 3.18Å; Q300-H304 VanDerWaalsContact O-N 3.07Å; Q300-H304 PolarHBondContact OE1-CD2 3.36Å; Q300-G305 PolarHBondContact O-N 3.44Å; Q300-M306 HydrophobicContact CB-CB 4.11Å; Q300-M306 HydrophobicContact CB-CE 3.94Å; Q300-M306 HydrophobicContact CB-CG 4.35Å; Q300-M306 HydrophobicContact CB-SD 3.63Å; Q300-M306 HydrophobicContact CG-CE 4.34Å; Q300-M306 HydrophobicContact CG-SD 4.25Å; Q300-M306 PolarHBondContact O-N 3.13Å
301C98.8Very high97.5Very high0 Ų04.7 Ų4.70%03%0.026CC..Hα-helixtrans-63.1-58.7173179.70000109.9A92 L93 F104 V298 G299 I303 G305 M306 V308A92-C301 PolarHBondContact O-SG 3.31Å; A92-C301 VanDerWaalsContact O-SG 3.37Å; L93-C301 HydrophobicContact CD2-CB 4.42Å; F104-C301 VanDerWaalsContact CE1-O 3.24Å; F104-C301 WeakPolarHBondContact CE1-O 3.32Å; V298-C301 VanDerWaalsContact O-CB 3.28Å; V298-C301 WeakPolarHBondContact O-CB 3.36Å; V298-C301 PolarHBondContact O-N 2.85Å; G299-C301 VanDerWaalsContact C-N 3.34Å; C301-I303 PolarHBondContact O-N 2.96Å; C301-G305 WeakPolarHBondContact O-CA 3.34Å; C301-G305 PolarHBondContact O-N 2.82Å; C301-M306 VanDerWaalsContact CA-O 3.26Å; C301-M306 WeakPolarHBondContact CA-O 3.45Å; C301-M306 WeakPolarHBondContact CB-O 3.2Å; C301-M306 PolarHBondContact SG-O 3.04Å; C301-M306 VanDerWaalsContact SG-O 3.37Å; C301-V308 HydrophobicContact CB-CB 4.42Å; C301-V308 HydrophobicContact CB-CG2 3.71Å
302L98.8Very high97.4Very high2 Ų28 Ų81%0.014%0.039CC..Hα-helixtrans-66.4-36-169.2-57.2-175.8000113.9F80 T83 L107 V140 W143 L144 V298F80-L302 HydrophobicContact CD2-CB 4Å; F80-L302 HydrophobicContact CD2-CD2 3.59Å; F80-L302 HydrophobicContact CD2-CG 4.37Å; F80-L302 HydrophobicContact CE2-CD2 3.5Å; F80-L302 HydrophobicContact CG-CD2 4.42Å; F80-L302 HydrophobicContact CZ-CD2 4.31Å; T83-L302 WeakPolarHBondContact CB-O 3.14Å; T83-L302 PolarHBondContact OG1-O 3.01Å; L107-L302 HydrophobicContact CD2-CD2 3.77Å; V140-L302 HydrophobicContact CG1-CD1 4.3Å; V140-L302 HydrophobicContact CG1-CD2 4.17Å; W143-L302 HydrophobicContact CH2-CD1 3.41Å; W143-L302 VanDerWaalsContact CH2-CD1 3.41Å; W143-L302 HydrophobicContact CZ2-CD1 3.37Å; L144-L302 HydrophobicContact CD2-CD2 4.38Å; V298-L302 HydrophobicContact CG1-CD1 4.06Å; V298-L302 HydrophobicContact CG1-CG 4.04Å; V298-L302 PolarHBondContact O-N 2.83Å; V298-L302 VanDerWaalsContact O-N 3.12Å
303I98.6Very high97.1Very high7 Ų712.4 Ų12.44%0.0366%0.055CC..Hα-helixtrans-95.6-36.5-174.4-58.5170.5000111.8L76 I79 T83 Y263 Y264 A267 G299 C301L76-I303 HydrophobicContact CD1-CD1 3.97Å; L76-I303 HydrophobicContact CD1-CG1 3.88Å; I79-I303 HydrophobicContact CG2-CG1 4.36Å; I79-I303 HydrophobicContact CG2-CG2 4.15Å; T83-I303 PolarHBondContact OG1-O 3.22Å; Y263-I303 HydrophobicContact CD1-CD1 3.98Å; Y263-I303 HydrophobicContact CE1-CD1 3.97Å; Y264-I303 HydrophobicContact CD2-CD1 3.98Å; Y264-I303 HydrophobicContact CD2-CG2 3.94Å; Y264-I303 HydrophobicContact CE2-CG2 3.66Å; A267-I303 HydrophobicContact CB-CD1 3.7Å; G299-I303 WeakPolarHBondContact O-CB 3.35Å; G299-I303 WeakPolarHBondContact O-CG1 3.36Å; G299-I303 PolarHBondContact O-N 3.36Å; C301-I303 PolarHBondContact O-N 2.96Å
304H98.4Very high96.8Very high15 Ų1513.9 Ų13.97%0.0696%0.062CC..Hα-helixtrans-116.8-0-166.5-61.1-67.1000114.3Y271 P278 Q300 M306Y271-H304 AromaticContact CD1-CE1 3.66Å; Y271-H304 AromaticContact CD1-CG 3.94Å; Y271-H304 AromaticContact CD1-ND1 3.64Å; Y271-H304 AromaticContact CD1-NE2 3.98Å; Y271-H304 HydrophobicContact CD2-CB 3.64Å; Y271-H304 AromaticContact CD2-CD2 3.57Å; Y271-H304 AromaticContact CD2-CG 3.49Å; Y271-H304 VanDerWaalsContact CD2-CG 3.49Å; Y271-H304 HydrophobicContact CE1-CB 4.44Å; Y271-H304 AromaticContact CE1-ND1 3.7Å; Y271-H304 HydrophobicContact CE2-CB 3.37Å; Y271-H304 AromaticContact CE2-CG 3.65Å; Y271-H304 HydrophobicContact CG-CB 4.3Å; Y271-H304 AromaticContact CG-CD2 3.53Å; Y271-H304 AromaticContact CG-CE1 3.82Å; Y271-H304 AromaticContact CG-CG 3.65Å; Y271-H304 AromaticContact CG-ND1 3.83Å; Y271-H304 AromaticContact CG-NE2 3.67Å; Y271-H304 AromaticContact CZ-CG 3.92Å; Y271-H304 AromaticContact CZ-ND1 3.93Å; P278-H304 WeakPolarHBondContact CB-O 3.47Å; Q300-H304 CarbonylContact O-C 3.51Å; Q300-H304 WeakPolarHBondContact O-CA 3.17Å; Q300-H304 VanDerWaalsContact O-CB 3.32Å; Q300-H304 WeakPolarHBondContact O-CB 3.49Å; Q300-H304 PolarHBondContact O-N 3.18Å; Q300-H304 VanDerWaalsContact O-N 3.07Å; Q300-H304 PolarHBondContact OE1-CD2 3.36Å; H304-M306 VanDerWaalsContact C-N 3.34Å
305G98.5Very high96.4Very high0 Ų015.1 Ų15.10%07%0.07CC..  trans76.719173.200000114.3K90 Q300 C301K90-G305 WeakPolarHBondContact CE-O 3.35Å; K90-G305 PolarHBondContact NZ-O 3.17Å; Q300-G305 PolarHBondContact O-N 3.44Å; C301-G305 WeakPolarHBondContact O-CA 3.34Å; C301-G305 PolarHBondContact O-N 2.82Å
306M98.8Very high95.8Very high0 Ų016 Ų160%08%0.077CC..  trans-76154.6175.8-73.8175.750.500112.3Y271 M276 T277 P278 D280 L282 Q300 C301 H304 I330Y271-M306 HydrophobicContact CD2-SD 4Å; Y271-M306 HydrophobicContact CE2-CG 4.5Å; Y271-M306 HydrophobicContact CE2-SD 3.83Å; M276-M306 HydrophobicContact CB-SD 3.98Å; M276-M306 HydrophobicContact SD-CE 4.4Å; M276-M306 HydrophobicContact SD-SD 4.35Å; T277-M306 WeakPolarHBondContact O-CG 3.2Å; T277-M306 VanDerWaalsContact O-SD 3.42Å; P278-M306 WeakPolarHBondContact O-CA 3.47Å; D280-M306 HydrophobicContact CB-CE 3.63Å; D280-M306 HydrophobicContact CB-SD 4.28Å; L282-M306 HydrophobicContact CB-CE 4.05Å; L282-M306 HydrophobicContact CD1-CE 4.36Å; Q300-M306 HydrophobicContact CB-CB 4.11Å; Q300-M306 HydrophobicContact CB-CE 3.94Å; Q300-M306 HydrophobicContact CB-CG 4.35Å; Q300-M306 HydrophobicContact CB-SD 3.63Å; Q300-M306 HydrophobicContact CG-CE 4.34Å; Q300-M306 HydrophobicContact CG-SD 4.25Å; Q300-M306 PolarHBondContact O-N 3.13Å; C301-M306 VanDerWaalsContact CA-O 3.26Å; C301-M306 WeakPolarHBondContact CA-O 3.45Å; C301-M306 WeakPolarHBondContact CB-O 3.2Å; C301-M306 PolarHBondContact SG-O 3.04Å; C301-M306 VanDerWaalsContact SG-O 3.37Å; H304-M306 VanDerWaalsContact C-N 3.34Å; M306-I330 HydrophobicContact CE-CD1 3.9Å
307T98.9Very high95.5Very high13 Ų1318.1 Ų18.18%0.089%0.092CC..EExtended strand (participates in β ladder)trans-86.5133.1169.5-52.50000109.1T91 A92 I94 D280 V281 L282T91-T307 HydrophobicContact CG2-CG2 4.07Å; T91-T307 PolarHBondContact O-OG1 3.25Å; A92-T307 WeakPolarHBondContact O-CA 3.15Å; I94-T307 HydrophobicContact CD1-CG2 4.04Å; I94-T307 HydrophobicContact CG1-CG2 4.15Å; D280-T307 PolarHBondContact O-N 3.1Å; V281-T307 WeakPolarHBondContact CA-O 3.5Å; V281-T307 HydrophobicContact CG1-CG2 4.31Å; L282-T307 PolarHBondContact N-O 3.35Å
308V98.9Very high95.4Very high0 Ų023.8 Ų23.80%011%0.114CC..EExtended strand (participates in β ladder)trans-118124.2175176.70000110.2A92 L93 I94 L282 D284 V298 C301 I310A92-V308 PolarHBondContact O-N 3.15Å; L93-V308 CarbonylContact C-O 3.57Å; L93-V308 WeakPolarHBondContact CA-O 3.41Å; L93-V308 HydrophobicContact CD2-CB 4.06Å; I94-V308 PolarHBondContact N-O 2.65Å; L282-V308 HydrophobicContact CB-CG2 4.31Å; L282-V308 HydrophobicContact CD2-CG1 4.18Å; L282-V308 HydrophobicContact CD2-CG2 4.45Å; L282-V308 CarbonylContact O-C 3.6Å; L282-V308 WeakPolarHBondContact O-CA 3.45Å; D284-V308 HydrophobicContact CB-CG1 3.91Å; V298-V308 HydrophobicContact CG2-CG1 4.43Å; C301-V308 HydrophobicContact CB-CB 4.42Å; C301-V308 HydrophobicContact CB-CG2 3.71Å; V308-I310 HydrophobicContact CG1-CG1 4.06Å
309V98.9Very high95.3Very high0 Ų023.9 Ų23.90%011%0.114CC..EExtended strand (participates in β ladder)trans-89.6107.9170-1770000107.7I94 E96 V281 L282 Y283 D284 Y326I94-V309 HydrophobicContact CB-CG2 4.19Å; I94-V309 HydrophobicContact CD1-CG2 4.24Å; I94-V309 CarbonylContact O-C 3.59Å; I94-V309 WeakPolarHBondContact O-CA 3.41Å; E96-V309 HydrophobicContact CB-CG1 4.46Å; V281-V309 HydrophobicContact CG1-CG2 3.8Å; L282-V309 PolarHBondContact O-N 3.09Å; Y283-V309 HydrophobicContact CD2-CB 4.09Å; Y283-V309 HydrophobicContact CD2-CG1 3.88Å; Y283-V309 HydrophobicContact CE2-CG1 4.27Å; D284-V309 PolarHBondContact N-O 3.24Å; V309-Y326 HydrophobicContact CG1-CD2 3.67Å; V309-Y326 HydrophobicContact CG1-CE2 4.11Å; V309-Y326 HydrophobicContact CG1-CG 3.99Å; V309-Y326 HydrophobicContact CG2-CG 4.12Å
310I98.7Very high95.2Very high0 Ų024.3 Ų24.30%012%0.116CC..EExtended strand (participates in β ladder)trans-87.6118.9177.4-61.5169000108.2L93 I94 F95 E96 N135 V140 L288 V308L93-I310 HydrophobicContact CB-CD1 4.49Å; L93-I310 HydrophobicContact CD1-CD1 4.19Å; L93-I310 HydrophobicContact CD2-CD1 3.99Å; L93-I310 HydrophobicContact CG-CD1 4.46Å; I94-I310 PolarHBondContact O-N 2.9Å; F95-I310 HydrophobicContact CD2-CB 4.46Å; F95-I310 HydrophobicContact CD2-CG2 4.27Å; F95-I310 WeakPolarHBondContact CD2-O 3.5Å; E96-I310 PolarHBondContact N-O 3.41Å; N135-I310 HydrophobicContact CB-CG2 3.84Å; V140-I310 HydrophobicContact CG2-CD1 4.06Å; L288-I310 HydrophobicContact CD1-CD1 4.1Å; L288-I310 HydrophobicContact CD1-CG2 4.02Å; V308-I310 HydrophobicContact CG1-CG1 4.06Å
311R96.5Very high95.1Very high26 Ų2626.1 Ų26.110%0.09813%0.125CC..  trans-95.9134.6169.5179.3165.3-179.58822.6110.8E96 N135 Y283 D284 C285 K313 D322E96-R311 HydrophobicContact CB-CB 4.39Å; E96-R311 IonicContact OE1-CZ 3.7Å; E96-R311 IonicContact OE1-NH1 2.77Å; E96-R311 PolarHBondContact OE1-NH1 3.13Å; E96-R311 IonicContact OE1-NH2 3.19Å; E96-R311 IonicContact OE2-CZ 3.92Å; E96-R311 IonicContact OE2-NH1 3.48Å; E96-R311 PolarHBondContact OE2-NH1 3.05Å; N135-R311 WeakPolarHBondContact CB-O 3.42Å; N135-R311 PolarHBondContact ND2-O 2.88Å; N135-R311 VanDerWaalsContact ND2-O 3.13Å; Y283-R311 HydrophobicContact CE2-CB 4.31Å; Y283-R311 WeakPolarHBondContact OH-CD 3.45Å; D284-R311 PolarHBondContact O-N 3.17Å; C285-R311 HydrophobicContact CB-CB 4.07Å; C285-R311 HydrophobicContact CB-CG 4.49Å; R311-K313 WeakPolarHBondContact CD-O 3.39Å; R311-K313 VanDerWaalsContact CG-O 3.24Å; R311-K313 WeakPolarHBondContact CG-O 3.39Å; R311-K313 PolarHBondContact NE-O 3.09Å; R311-K313 PolarHBondContact O-N 2.75Å; R311-D322 IonicContact CZ-OD2 3.82Å; R311-D322 IonicContact NE-OD2 3.59Å; R311-D322 IonicContact NH1-OD1 2.9Å; R311-D322 IonicContact NH1-OD2 2.59Å; R311-D322 PolarHBondContact NH1-OD2 2.96Å
312K91.6Very high95.1Very high88 Ų8826.3 Ų26.338%0.38313%0.126SC..SBendtrans-56.8-50.4-178.1-173.3174175.9171.50111.9F95 E134F95-K312 HydrophobicContact CE2-CB 3.9Å; F95-K312 HydrophobicContact CZ-CB 3.96Å; F95-K312 HydrophobicContact CZ-CD 4.31Å; F95-K312 HydrophobicContact CZ-CG 4.3Å; E134-K312 WeakPolarHBondContact OE2-CE 3.15Å; E134-K312 IonicContact OE2-NZ 2.68Å
313K84.5Confident95Very high106 Ų10626.2 Ų26.246%0.46113%0.126SC..SBendtrans-146.2143.4176.1-67-177-177.3175.50110E134 R311 S315E134-K313 WeakPolarHBondContact OE1-CE 3.28Å; E134-K313 IonicContact OE1-NZ 3.9Å; E134-K313 PolarHBondContact OE1-NZ 3.43Å; E134-K313 VanDerWaalsContact OE2-CE 3.24Å; E134-K313 WeakPolarHBondContact OE2-CE 3.36Å; E134-K313 IonicContact OE2-NZ 2.91Å; R311-K313 WeakPolarHBondContact CD-O 3.39Å; R311-K313 VanDerWaalsContact CG-O 3.24Å; R311-K313 WeakPolarHBondContact CG-O 3.39Å; R311-K313 PolarHBondContact NE-O 3.09Å; R311-K313 PolarHBondContact O-N 2.75Å; K313-S315 PolarHBondContact O-N 3Å
314F87.5Confident95Very high32 Ų3228 Ų2814%0.1414%0.137CC..  trans-51.6138174172-106.2000112C285 A316 F319 I337 Y340 L341 F594C285-F314 HydrophobicContact CB-CB 4.46Å; C285-F314 HydrophobicContact CB-CD2 4.48Å; F314-A316 HydrophobicContact CE1-CB 3.96Å; F314-A316 HydrophobicContact CZ-CB 3.74Å; F314-F319 HydrophobicContact CD2-CD2 4.12Å; F314-F319 HydrophobicContact CD2-CE2 4.45Å; F314-F319 AromaticContact CE2-CD2 3.7Å; F314-F319 HydrophobicContact CE2-CD2 3.7Å; F314-F319 HydrophobicContact CE2-CE2 4.14Å; F314-I337 HydrophobicContact CD2-CD1 4.01Å; F314-I337 HydrophobicContact CD2-CG1 4.11Å; F314-I337 HydrophobicContact CD2-CG2 4.2Å; F314-I337 HydrophobicContact CE2-CB 4.3Å; F314-I337 HydrophobicContact CE2-CD1 4.37Å; F314-I337 HydrophobicContact CE2-CG1 4.08Å; F314-I337 HydrophobicContact CE2-CG2 3.53Å; F314-I337 HydrophobicContact CG-CD1 4.39Å; F314-I337 HydrophobicContact CG-CG1 4.39Å; F314-I337 HydrophobicContact CZ-CB 4.47Å; F314-I337 HydrophobicContact CZ-CG1 4.3Å; F314-I337 HydrophobicContact CZ-CG2 4Å; F314-Y340 HydrophobicContact CD1-CD2 4.44Å; F314-Y340 AromaticContact CE1-CD2 3.63Å; F314-Y340 HydrophobicContact CE1-CD2 3.63Å; F314-Y340 HydrophobicContact CE1-CG 4.24Å; F314-Y340 HydrophobicContact CZ-CD2 4.2Å; F314-L341 HydrophobicContact CE2-CD2 4.41Å; F314-L341 HydrophobicContact CZ-CD2 4.42Å; F314-F594 HydrophobicContact CB-CE2 4.06Å; F314-F594 HydrophobicContact CB-CZ 3.9Å; F314-F594 HydrophobicContact CD1-CZ 4.24Å; F314-F594 HydrophobicContact CG-CZ 4.46Å
315S89.6Confident95Very high26 Ų2633.3 Ų33.318%0.18216%0.16CC..  trans-140.3114171.7174.10000108.7K313 S317 R318 F319K313-S315 PolarHBondContact O-N 3Å; S315-S317 VanDerWaalsContact C-N 3.31Å; S315-S317 PolarHBondContact O-N 3.33Å; S315-S317 PolarHBondContact OG-OG 3.43Å; S315-R318 PolarHBondContact O-N 3.47Å; S315-R318 PolarHBondContact OG-N 3.43Å; S315-F319 WeakPolarHBondContact O-CB 3.09Å; S315-F319 PolarHBondContact O-N 2.81Å; S315-F319 VanDerWaalsContact O-N 3.11Å
316A85.1Confident95Very high17 Ų1733.9 Ų33.914%0.1416%0.162CC..THydrogen-bonded Turntrans-62.6-40.2-179.700000111.8F314 R318 Q344F314-A316 HydrophobicContact CE1-CB 3.96Å; F314-A316 HydrophobicContact CZ-CB 3.74Å; A316-R318 PolarHBondContact O-N 2.73Å; A316-Q344 HydrophobicContact CB-CG 3.81Å
317S89.5Confident94.9Very high48 Ų4838 Ų3834%0.33618%0.184SC..THydrogen-bonded Turntrans-74.1-22.8-176.860.80000113.9S315 R347S315-S317 VanDerWaalsContact C-N 3.31Å; S315-S317 PolarHBondContact O-N 3.33Å; S315-S317 PolarHBondContact OG-OG 3.43Å; S317-R347 PolarHBondContact O-NH1 3.11Å
318R95.5Very high94.9Very high120 Ų12037.4 Ų37.445%0.45318%0.18SC..THydrogen-bonded Turntrans-103.7-7.6179.6-62.3-60.2-62.5179.2-13.1114S315 A316 W320 D321 D322S315-R318 PolarHBondContact O-N 3.47Å; S315-R318 PolarHBondContact OG-N 3.43Å; A316-R318 PolarHBondContact O-N 2.73Å; R318-W320 PolarHBondContact O-N 2.81Å; R318-D321 IonicContact CZ-OD2 3.48Å; R318-D321 IonicContact NE-OD2 3.88Å; R318-D321 IonicContact NH1-OD2 2.71Å; R318-D321 PolarHBondContact NH1-OD2 3.09Å; R318-D321 PolarHBondContact O-N 3.04Å; R318-D322 VanDerWaalsContact O-CG 3.24Å; R318-D322 PolarHBondContact O-N 3.02Å
319F96.3Very high94.9Very high1 Ų138.6 Ų38.60%0.00419%0.188CC..Hα-helixtrans-52.5-53.2-171.7-168.2-86.5000113.4Y283 F314 S315 C323 V331 I337 L341Y283-F319 HydrophobicContact CD1-CD2 4.39Å; Y283-F319 AromaticContact CD1-CE2 3.94Å; Y283-F319 HydrophobicContact CD1-CE2 3.94Å; Y283-F319 HydrophobicContact CD1-CZ 4.07Å; Y283-F319 AromaticContact CE1-CD2 3.62Å; Y283-F319 HydrophobicContact CE1-CD2 3.62Å; Y283-F319 AromaticContact CE1-CE2 3.56Å; Y283-F319 HydrophobicContact CE1-CE2 3.56Å; Y283-F319 HydrophobicContact CE1-CG 4.21Å; Y283-F319 HydrophobicContact CE1-CZ 4.1Å; F314-F319 HydrophobicContact CD2-CD2 4.12Å; F314-F319 HydrophobicContact CD2-CE2 4.45Å; F314-F319 AromaticContact CE2-CD2 3.7Å; F314-F319 HydrophobicContact CE2-CD2 3.7Å; F314-F319 HydrophobicContact CE2-CE2 4.14Å; S315-F319 WeakPolarHBondContact O-CB 3.09Å; S315-F319 PolarHBondContact O-N 2.81Å; S315-F319 VanDerWaalsContact O-N 3.11Å; F319-C323 PolarHBondContact O-N 2.75Å; F319-C323 VanDerWaalsContact O-N 3.12Å; F319-C323 PolarHBondContact O-SG 2.81Å; F319-V331 HydrophobicContact CE1-CB 4.09Å; F319-V331 HydrophobicContact CE1-CG1 3.81Å; F319-V331 HydrophobicContact CE1-CG2 4.41Å; F319-V331 HydrophobicContact CZ-CB 3.83Å; F319-V331 HydrophobicContact CZ-CG1 4Å; F319-V331 HydrophobicContact CZ-CG2 4.31Å; F319-I337 HydrophobicContact CE2-CG2 4.21Å; F319-L341 HydrophobicContact CB-CD2 3.55Å; F319-L341 HydrophobicContact CD1-CD1 3.9Å; F319-L341 HydrophobicContact CD1-CD2 3.89Å; F319-L341 HydrophobicContact CD2-CD1 4.3Å; F319-L341 HydrophobicContact CD2-CD2 4.05Å; F319-L341 HydrophobicContact CE1-CD1 3.77Å; F319-L341 HydrophobicContact CE2-CD1 4.17Å; F319-L341 HydrophobicContact CG-CD1 4.16Å; F319-L341 HydrophobicContact CG-CD2 3.58Å; F319-L341 HydrophobicContact CZ-CD1 3.9Å
320W97.4Very high94.9Very high10 Ų1038.6 Ų38.64%0.03819%0.188CC..Hα-helixtrans-76.2-33.1-177.6-61.3115.6000112.8R318 D322 C323 V324 V331 L341 E350 H353 V355 F371 Y375 I377R318-W320 PolarHBondContact O-N 2.81Å; W320-D322 VanDerWaalsContact C-N 3.28Å; W320-D322 PolarHBondContact O-N 3.34Å; W320-C323 HydrophobicContact CE3-CB 4.25Å; W320-C323 WeakPolarHBondContact O-CB 3.44Å; W320-C323 PolarHBondContact O-N 2.9Å; W320-C323 VanDerWaalsContact O-N 3.17Å; W320-V324 WeakPolarHBondContact O-CG2 3.36Å; W320-V324 PolarHBondContact O-N 3.44Å; W320-V331 HydrophobicContact CZ3-CG1 4.46Å; W320-L341 HydrophobicContact CZ2-CD1 4.16Å; W320-E350 HydrophobicContact CG-CG 4.21Å; W320-H353 AromaticContact CD2-CD2 3.94Å; W320-H353 HydrophobicContact CE3-CB 4.46Å; W320-H353 AromaticContact CE3-CD2 3.11Å; W320-H353 AromaticContact CE3-CG 3.91Å; W320-H353 AromaticContact CE3-NE2 3.58Å; W320-H353 AromaticContact CH2-NE2 3.95Å; W320-H353 AromaticContact CZ3-CD2 3.35Å; W320-H353 WeakPolarHBondContact CZ3-CD2 3.44Å; W320-H353 AromaticContact CZ3-NE2 3.32Å; W320-H353 VanDerWaalsContact CZ3-NE2 3.32Å; W320-H353 WeakPolarHBondContact CZ3-NE2 3.4Å; W320-V355 HydrophobicContact CZ3-CB 4.47Å; W320-V355 HydrophobicContact CZ3-CG2 4.15Å; W320-F371 HydrophobicContact CZ2-CZ 4.46Å; W320-Y375 AromaticContact CD1-CE1 3.99Å; W320-Y375 HydrophobicContact CD2-CD1 4.27Å; W320-Y375 AromaticContact CE2-CD1 3.38Å; W320-Y375 AromaticContact CE2-CE1 3.47Å; W320-Y375 VanDerWaalsContact CE2-CE1 3.47Å; W320-Y375 AromaticContact CE2-CG 3.9Å; W320-Y375 HydrophobicContact CH2-CD1 4.08Å; W320-Y375 HydrophobicContact CH2-CD2 4.28Å; W320-Y375 AromaticContact CH2-CG 3.81Å; W320-Y375 HydrophobicContact CH2-CG 3.81Å; W320-Y375 AromaticContact CZ2-CD1 3.28Å; W320-Y375 HydrophobicContact CZ2-CD1 3.28Å; W320-Y375 AromaticContact CZ2-CD2 3.6Å; W320-Y375 HydrophobicContact CZ2-CD2 3.6Å; W320-Y375 AromaticContact CZ2-CE1 3.65Å; W320-Y375 HydrophobicContact CZ2-CE1 3.65Å; W320-Y375 AromaticContact CZ2-CE2 3.91Å; W320-Y375 HydrophobicContact CZ2-CE2 3.91Å; W320-Y375 AromaticContact CZ2-CG 3.26Å; W320-Y375 HydrophobicContact CZ2-CG 3.26Å; W320-Y375 AromaticContact CZ2-CZ 3.94Å; W320-Y375 AromaticContact NE1-CD1 3.51Å; W320-Y375 AromaticContact NE1-CE1 3.07Å; W320-Y375 AromaticContact NE1-CZ 3.59Å; W320-I377 HydrophobicContact CH2-CD1 3.73Å; W320-I377 HydrophobicContact CZ3-CD1 4.35Å
321D96.9Very high94.9Very high38 Ų3838.6 Ų38.620%0.20319%0.188CC..Hα-helixtrans-60-41.7173.7-60.9-15.5000110.8R318 V324 K325 R347 S349R318-D321 IonicContact CZ-OD2 3.48Å; R318-D321 IonicContact NE-OD2 3.88Å; R318-D321 IonicContact NH1-OD2 2.71Å; R318-D321 PolarHBondContact NH1-OD2 3.09Å; R318-D321 PolarHBondContact O-N 3.04Å; D321-V324 PolarHBondContact O-N 3.46Å; D321-K325 WeakPolarHBondContact O-CB 3.09Å; D321-K325 PolarHBondContact O-N 2.84Å; D321-R347 IonicContact OD2-NH1 3.36Å; D321-S349 WeakPolarHBondContact OD1-CB 3.24Å; D321-S349 PolarHBondContact OD1-OG 3.37Å
322D97.5Very high94.9Very high4 Ų437.4 Ų37.42%0.02118%0.183CC..Hα-helixtrans-66.3-43.3174.6-64.1-18.7000111.8Y283 R311 R318 W320 V324 K325 Y326Y283-D322 HydrophobicContact CD2-CB 4.39Å; Y283-D322 HydrophobicContact CE2-CB 3.49Å; Y283-D322 VanDerWaalsContact CE2-CB 3.49Å; Y283-D322 PolarHBondContact OH-OD2 3.02Å; R311-D322 IonicContact CZ-OD2 3.82Å; R311-D322 IonicContact NE-OD2 3.59Å; R311-D322 IonicContact NH1-OD1 2.9Å; R311-D322 IonicContact NH1-OD2 2.59Å; R311-D322 PolarHBondContact NH1-OD2 2.96Å; R318-D322 VanDerWaalsContact O-CG 3.24Å; R318-D322 PolarHBondContact O-N 3.02Å; W320-D322 VanDerWaalsContact C-N 3.28Å; W320-D322 PolarHBondContact O-N 3.34Å; D322-V324 PolarHBondContact O-N 3.42Å; D322-K325 PolarHBondContact O-N 2.5Å; D322-Y326 HydrophobicContact CB-CD2 4.16Å; D322-Y326 HydrophobicContact CB-CE2 4.25Å; D322-Y326 WeakPolarHBondContact O-CD2 3.31Å; D322-Y326 PolarHBondContact O-N 3.16Å
323C98.3Very high94.9Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-59.2-38.2178.4-69.50000111.8F319 W320 N327 C328 V331 H353 V355F319-C323 PolarHBondContact O-N 2.75Å; F319-C323 VanDerWaalsContact O-N 3.12Å; F319-C323 PolarHBondContact O-SG 2.81Å; W320-C323 HydrophobicContact CE3-CB 4.25Å; W320-C323 WeakPolarHBondContact O-CB 3.44Å; W320-C323 PolarHBondContact O-N 2.9Å; W320-C323 VanDerWaalsContact O-N 3.17Å; C323-N327 WeakPolarHBondContact O-CA 3.3Å; C323-N327 PolarHBondContact O-N 3.13Å; C323-C328 HydrophobicContact CB-CB 4.1Å; C323-C328 PolarHBondContact O-N 2.89Å; C323-V331 VanDerWaalsContact SG-CG1 3.56Å; C323-H353 HydrophobicContact CB-CB 4.05Å; C323-V355 HydrophobicContact CB-CG2 4.18Å
324V98.3Very high94.7Very high44 Ų4428.9 Ų28.927%0.26715%0.147SC..Hα-helixtrans-66.8-53.9171.9174.40000110.3W320 D321 D322 Y326 N327 Q352 H353W320-V324 WeakPolarHBondContact O-CG2 3.36Å; W320-V324 PolarHBondContact O-N 3.44Å; D321-V324 PolarHBondContact O-N 3.46Å; D322-V324 PolarHBondContact O-N 3.42Å; V324-Y326 VanDerWaalsContact C-N 3.28Å; V324-Y326 PolarHBondContact O-N 3.02Å; V324-N327 PolarHBondContact O-N 2.89Å; V324-N327 VanDerWaalsContact O-N 3.16Å; V324-Q352 HydrophobicContact CG2-CB 3.79Å; V324-H353 HydrophobicContact CG2-CB 4.1Å
325K97.9Very high94Very high127 Ų12727.7 Ų27.755%0.55214%0.144SC*.Hα-helixtrans-54.7-41.2-176.2-178.6-178.3178.6-168.20113.1D321 D322D321-K325 WeakPolarHBondContact O-CB 3.09Å; D321-K325 PolarHBondContact O-N 2.84Å; D322-K325 PolarHBondContact O-N 2.5Å
326Y98.1Very high93.1Very high12 Ų1227.4 Ų27.45%0.04714%0.139CC..THydrogen-bonded Turntrans-101.77.7-175.6-56.5-66.3000113.7I94 E96 V309 D322 V324 C328I94-Y326 HydrophobicContact CD1-CD1 4.46Å; I94-Y326 HydrophobicContact CG2-CD1 3.83Å; I94-Y326 HydrophobicContact CG2-CE1 3.74Å; E96-Y326 HydrophobicContact CB-CE2 4.08Å; E96-Y326 HydrophobicContact CG-CE2 3.83Å; E96-Y326 PolarHBondContact O-OH 3.03Å; V309-Y326 HydrophobicContact CG1-CD2 3.67Å; V309-Y326 HydrophobicContact CG1-CE2 4.11Å; V309-Y326 HydrophobicContact CG1-CG 3.99Å; V309-Y326 HydrophobicContact CG2-CG 4.12Å; D322-Y326 HydrophobicContact CB-CD2 4.16Å; D322-Y326 HydrophobicContact CB-CE2 4.25Å; D322-Y326 WeakPolarHBondContact O-CD2 3.31Å; D322-Y326 PolarHBondContact O-N 3.16Å; V324-Y326 VanDerWaalsContact C-N 3.28Å; V324-Y326 PolarHBondContact O-N 3.02Å; Y326-C328 VanDerWaalsContact C-N 3.3Å; Y326-C328 PolarHBondContact O-N 2.87Å
327N97.7Very high92.9Very high86 Ų8626.6 Ų26.646%0.4613%0.133SC..THydrogen-bonded Turntrans53.643.5-179.1-63.2-68.5000113.3C323 V324 T329C323-N327 WeakPolarHBondContact O-CA 3.3Å; C323-N327 PolarHBondContact O-N 3.13Å; V324-N327 PolarHBondContact O-N 2.89Å; V324-N327 VanDerWaalsContact O-N 3.16Å; N327-T329 PolarHBondContact O-N 3.01Å
328C98.6Very high92.6Very high0 Ų024.3 Ų24.30%012%0.117CC..  trans-64.7133.7-178.2-590000111C323 Y326 R354 V355C323-C328 HydrophobicContact CB-CB 4.1Å; C323-C328 PolarHBondContact O-N 2.89Å; Y326-C328 VanDerWaalsContact C-N 3.3Å; Y326-C328 PolarHBondContact O-N 2.87Å; C328-R354 CarbonylContact O-C 3.51Å; C328-V355 HydrophobicContact CB-CG2 4.42Å; C328-V355 WeakPolarHBondContact O-CG2 3.27Å; C328-V355 PolarHBondContact O-N 2.83Å
329T98.8Very high91.7Very high25 Ų2519.1 Ų19.115%0.15310%0.097CC..SBendtrans-104.3-23.1175.5650000111.8D280 V281 N327 V355 R356 M357D280-T329 VanDerWaalsContact CA-OG1 3.27Å; D280-T329 WeakPolarHBondContact CA-OG1 3.37Å; D280-T329 WeakPolarHBondContact CB-OG1 3.2Å; D280-T329 PolarHBondContact OD1-OG1 3.28Å; V281-T329 PolarHBondContact N-OG1 2.82Å; V281-T329 PolarHBondContact O-N 2.95Å; V281-T329 PolarHBondContact O-OG1 2.83Å; N327-T329 PolarHBondContact O-N 3.01Å; T329-V355 CarbonylContact O-C 3.47Å; T329-V355 WeakPolarHBondContact O-CA 3.35Å; T329-R356 WeakPolarHBondContact O-CG 3.37Å; T329-R356 PolarHBondContact O-N 3.26Å; T329-M357 PolarHBondContact O-N 3.37Å
330I98.8Very high90.7Very high0 Ų020.7 Ų20.70%010%0.103CC..EExtended strand (participates in β ladder)trans-129.3135177.8-57.6172.2000108M276 D280 V281 L282 Y283 M306 M357 L359M276-I330 HydrophobicContact CG-CD1 3.89Å; M276-I330 HydrophobicContact SD-CD1 4.3Å; D280-I330 HydrophobicContact CB-CD1 3.67Å; D280-I330 HydrophobicContact CB-CG1 4.28Å; V281-I330 PolarHBondContact O-N 2.98Å; V281-I330 VanDerWaalsContact O-N 3.09Å; L282-I330 CarbonylContact C-O 3.6Å; L282-I330 WeakPolarHBondContact CA-O 3.41Å; L282-I330 HydrophobicContact CB-CB 4.42Å; L282-I330 HydrophobicContact CD1-CG2 4.27Å; L282-I330 HydrophobicContact CG-CB 4.46Å; L282-I330 HydrophobicContact CG-CG2 4.28Å; Y283-I330 PolarHBondContact N-O 3.24Å; M306-I330 HydrophobicContact CE-CD1 3.9Å; I330-M357 WeakPolarHBondContact CA-O 3.15Å; I330-M357 HydrophobicContact CB-CE 4.4Å; I330-M357 HydrophobicContact CD1-CE 3.36Å; I330-M357 HydrophobicContact CG1-CB 4.43Å; I330-M357 HydrophobicContact CG1-CE 3.65Å; I330-M357 HydrophobicContact CG2-CE 3.85Å; I330-L359 HydrophobicContact CG2-CB 3.96Å
331V98.5Very high90.3Very high1 Ų120.3 Ų20.31%0.00610%0.102CC..EExtended strand (participates in β ladder)trans-109.5138.8168.3-63.30000109.6F319 W320 C323 V355 M357 A358 L359F319-V331 HydrophobicContact CE1-CB 4.09Å; F319-V331 HydrophobicContact CE1-CG1 3.81Å; F319-V331 HydrophobicContact CE1-CG2 4.41Å; F319-V331 HydrophobicContact CZ-CB 3.83Å; F319-V331 HydrophobicContact CZ-CG1 4Å; F319-V331 HydrophobicContact CZ-CG2 4.31Å; W320-V331 HydrophobicContact CZ3-CG1 4.46Å; C323-V331 VanDerWaalsContact SG-CG1 3.56Å; V331-V355 HydrophobicContact CB-CG1 4.38Å; V331-V355 HydrophobicContact CG1-CB 4.39Å; V331-V355 HydrophobicContact CG1-CG1 3.86Å; V331-V355 HydrophobicContact CG1-CG2 3.61Å; V331-V355 HydrophobicContact CG2-CG1 3.92Å; V331-M357 PolarHBondContact N-O 2.77Å; V331-M357 VanDerWaalsContact N-O 3.08Å; V331-A358 HydrophobicContact CG2-CB 3.82Å; V331-A358 CarbonylContact O-C 3.6Å; V331-A358 WeakPolarHBondContact O-CA 3.24Å; V331-L359 PolarHBondContact O-N 3.33Å
332Q96.6Very high89.7Confident0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-91.3136.9170.8-156.5172.5500110.6L282 Y283 D284 L286 A292 L359L282-Q332 HydrophobicContact CD2-CB 4.38Å; Y283-Q332 WeakPolarHBondContact O-CB 3.21Å; Y283-Q332 PolarHBondContact O-N 3.03Å; D284-Q332 PolarHBondContact OD1-OE1 3.39Å; L286-Q332 HydrophobicContact CD1-CB 4.46Å; L286-Q332 HydrophobicContact CD1-CG 3.68Å; L286-Q332 HydrophobicContact CG-CG 4.29Å; A292-Q332 VanDerWaalsContact C-NE2 3.33Å; A292-Q332 PolarHBondContact O-NE2 2.08Å; Q332-L359 CarbonylContact C-O 3.5Å; Q332-L359 VanDerWaalsContact CA-O 3.25Å; Q332-L359 WeakPolarHBondContact CA-O 3.29Å; Q332-L359 WeakPolarHBondContact CG-O 3.45Å
333Y92Very high88.9Confident2 Ų222.4 Ų22.41%0.00811%0.113CC..EExtended strand (participates in β ladder)trans-136.1165.117878.4-87.1000112.4C338 A358 L359 G360 L363 I380 E382Y333-C338 WeakPolarHBondContact CD2-SG 3.27Å; Y333-A358 HydrophobicContact CD1-CB 3.76Å; Y333-A358 HydrophobicContact CE1-CB 3.91Å; Y333-A358 WeakPolarHBondContact CE1-O 3.49Å; Y333-L359 VanDerWaalsContact CD1-C 3.47Å; Y333-L359 WeakPolarHBondContact CD1-O 3.49Å; Y333-L359 VanDerWaalsContact CE1-C 3.47Å; Y333-L359 PolarHBondContact N-O 2.85Å; Y333-G360 VanDerWaalsContact CE1-CA 3.47Å; Y333-G360 VanDerWaalsContact CE1-N 3.29Å; Y333-G360 WeakPolarHBondContact O-CA 3.19Å; Y333-L363 HydrophobicContact CE2-CB 3.76Å; Y333-I380 HydrophobicContact CE1-CG2 4.06Å; Y333-I380 WeakPolarHBondContact OH-CG2 3.33Å; Y333-E382 PolarHBondContact OH-OE2 2.85Å
334I80.6Confident88.2Confident13 Ų1324.9 Ų24.97%0.06713%0.125CC..EExtended strand (participates in β ladder)trans-127.8152.1156.560.6-174.2000106.8L286 E336 I337 N361 T593 F594L286-I334 HydrophobicContact CD1-CG2 3.82Å; L286-I334 HydrophobicContact CD2-CD1 4.22Å; L286-I334 HydrophobicContact CD2-CG1 4.23Å; L286-I334 HydrophobicContact CD2-CG2 3.99Å; I334-E336 VanDerWaalsContact C-N 3.27Å; I334-E336 PolarHBondContact O-N 3.13Å; I334-I337 HydrophobicContact CG1-CD1 3.91Å; I334-I337 HydrophobicContact CG1-CG1 3.95Å; I334-I337 WeakPolarHBondContact O-CB 3.26Å; I334-I337 PolarHBondContact O-N 3.06Å; I334-N361 CarbonylContact C-O 3.55Å; I334-N361 WeakPolarHBondContact CA-O 3.45Å; I334-T593 VanDerWaalsContact CD1-C 3.43Å; I334-T593 WeakPolarHBondContact CD1-O 3.28Å; I334-F594 HydrophobicContact CD1-CB 4.15Å; I334-F594 HydrophobicContact CD1-CD2 3.94Å
335G72.2Confident87.8Confident8 Ų827.1 Ų27.18%0.08214%0.14CC..Hα-helixtrans-40.9-45.8-167.100000116.9I337 C338 N361 G362G335-I337 VanDerWaalsContact C-N 3.34Å; G335-I337 PolarHBondContact O-N 3.18Å; G335-C338 PolarHBondContact O-N 3.21Å; G335-N361 PolarHBondContact N-O 3.25Å; G335-G362 WeakPolarHBondContact CA-O 3.08Å
336E71.3Confident87.5Confident19 Ų1926.6 Ų26.69%0.08915%0.147CC..Hα-helixtrans-67.6-28.1-178.8-69.9-58.2130.500114I334 C338 R339 Y340 R364 F594I334-E336 VanDerWaalsContact C-N 3.27Å; I334-E336 PolarHBondContact O-N 3.13Å; E336-C338 VanDerWaalsContact C-N 3.32Å; E336-C338 PolarHBondContact O-N 2.76Å; E336-R339 WeakPolarHBondContact O-CB 2.89Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-R339 IonicContact OE2-CZ 2.7Å; E336-R339 IonicContact OE2-NE 3.17Å; E336-R339 PolarHBondContact OE2-NE 2.92Å; E336-Y340 HydrophobicContact CB-CE2 4.22Å; E336-Y340 WeakPolarHBondContact O-CD2 3.27Å; E336-Y340 PolarHBondContact O-N 2.94Å; E336-R364 IonicContact OE1-CZ 2.65Å; E336-R364 IonicContact OE1-NE 3.77Å; E336-R364 PolarHBondContact OE1-NE 2.93Å; E336-R364 IonicContact OE1-NH2 3.96Å; E336-R364 PolarHBondContact OE1-NH2 3.01Å; E336-F594 HydrophobicContact CB-CB 4.42Å
337I80.1Confident87.2Confident0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-60.5-44.9174.6-73.1178000110.4L286 F314 F319 I334 G335 R339 Y340 L341L286-I337 HydrophobicContact CD2-CD1 3.56Å; F314-I337 HydrophobicContact CD2-CD1 4.01Å; F314-I337 HydrophobicContact CD2-CG1 4.11Å; F314-I337 HydrophobicContact CD2-CG2 4.2Å; F314-I337 HydrophobicContact CE2-CB 4.3Å; F314-I337 HydrophobicContact CE2-CD1 4.37Å; F314-I337 HydrophobicContact CE2-CG1 4.08Å; F314-I337 HydrophobicContact CE2-CG2 3.53Å; F314-I337 HydrophobicContact CG-CD1 4.39Å; F314-I337 HydrophobicContact CG-CG1 4.39Å; F314-I337 HydrophobicContact CZ-CB 4.47Å; F314-I337 HydrophobicContact CZ-CG1 4.3Å; F314-I337 HydrophobicContact CZ-CG2 4Å; F319-I337 HydrophobicContact CE2-CG2 4.21Å; I334-I337 HydrophobicContact CG1-CD1 3.91Å; I334-I337 HydrophobicContact CG1-CG1 3.95Å; I334-I337 WeakPolarHBondContact O-CB 3.26Å; I334-I337 PolarHBondContact O-N 3.06Å; G335-I337 VanDerWaalsContact C-N 3.34Å; G335-I337 PolarHBondContact O-N 3.18Å; I337-R339 PolarHBondContact O-N 3.15Å; I337-Y340 PolarHBondContact O-N 3.21Å; I337-Y340 VanDerWaalsContact O-N 3.15Å; I337-L341 HydrophobicContact CG2-CD1 3.85Å; I337-L341 HydrophobicContact CG2-CG 4.25Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.45Å; I337-L341 PolarHBondContact O-N 3.41Å
338C82.8Confident86.8Confident0 Ų033.1 Ų33.10%018%0.176CC..Hα-helixtrans-60.2-36.4178.6-670000111.8Y333 G335 E336 L342 L363 I367 F371Y333-C338 WeakPolarHBondContact CD2-SG 3.27Å; G335-C338 PolarHBondContact O-N 3.21Å; E336-C338 VanDerWaalsContact C-N 3.32Å; E336-C338 PolarHBondContact O-N 2.76Å; C338-L342 WeakPolarHBondContact O-CG 3.3Å; C338-L342 PolarHBondContact O-N 3.14Å; C338-L363 HydrophobicContact CB-CD1 3.51Å; C338-I367 HydrophobicContact CB-CD1 4.16Å; C338-F371 HydrophobicContact CB-CD2 3.66Å; C338-F371 HydrophobicContact CB-CE2 3.74Å; C338-F371 HydrophobicContact CB-CG 4.33Å; C338-F371 HydrophobicContact CB-CZ 4.45Å
339R76.3Confident86.6Confident11 Ų1133.6 Ų33.64%0.04218%0.179CC..Hα-helixtrans-65.7-46.7174.6-162.7-167.869.774.3-9.9111.8E336 I337 L341 L342 N343 I367 M531 D533E336-R339 WeakPolarHBondContact O-CB 2.89Å; E336-R339 PolarHBondContact O-N 3.17Å; E336-R339 IonicContact OE2-CZ 2.7Å; E336-R339 IonicContact OE2-NE 3.17Å; E336-R339 PolarHBondContact OE2-NE 2.92Å; I337-R339 PolarHBondContact O-N 3.15Å; R339-L341 VanDerWaalsContact C-N 3.28Å; R339-L341 PolarHBondContact O-N 2.85Å; R339-L342 PolarHBondContact O-N 3.15Å; R339-N343 PolarHBondContact NH1-ND2 2.84Å; R339-N343 PolarHBondContact O-N 3.09Å; R339-I367 HydrophobicContact CB-CD1 4.14Å; R339-M531 HydrophobicContact CG-CE 3.68Å; R339-M531 PolarHBondContact NH1-O 3.16Å; R339-D533 IonicContact CZ-OD1 3.77Å; R339-D533 IonicContact NE-OD1 2.88Å; R339-D533 IonicContact NH2-OD1 3.59Å; R339-D533 PolarHBondContact NH2-OD1 3.26Å; R339-D533 IonicContact NH2-OD2 2.67Å
340Y76.5Confident86.3Confident35 Ų3532.8 Ų32.814%0.13717%0.173CC..Hα-helixtrans-61-38.2177-63.7-38.7000112.8F314 E336 I337 N343 Q344 K590 F594F314-Y340 HydrophobicContact CD1-CD2 4.44Å; F314-Y340 AromaticContact CE1-CD2 3.63Å; F314-Y340 HydrophobicContact CE1-CD2 3.63Å; F314-Y340 HydrophobicContact CE1-CG 4.24Å; F314-Y340 HydrophobicContact CZ-CD2 4.2Å; E336-Y340 HydrophobicContact CB-CE2 4.22Å; E336-Y340 WeakPolarHBondContact O-CD2 3.27Å; E336-Y340 PolarHBondContact O-N 2.94Å; I337-Y340 PolarHBondContact O-N 3.21Å; I337-Y340 VanDerWaalsContact O-N 3.15Å; Y340-N343 PolarHBondContact O-N 3.14Å; Y340-Q344 WeakPolarHBondContact O-CG 3.36Å; Y340-Q344 PolarHBondContact O-N 3.02Å; Y340-Q344 PolarHBondContact O-NE2 3.29Å; Y340-K590 WeakPolarHBondContact OH-CD 3.5Å; Y340-K590 WeakPolarHBondContact OH-CE 3.35Å; Y340-K590 PolarHBondContact OH-NZ 2.99Å; Y340-F594 HydrophobicContact CE2-CD1 4.17Å
341L87.9Confident85.9Confident1 Ų140.6 Ų40.61%0.00520%0.203CC..Hα-helixtrans-65.4-49.1176.7-66.5173.3000110.7F314 F319 W320 I337 R339 N343 Q344 F371 Y375F314-L341 HydrophobicContact CE2-CD2 4.41Å; F314-L341 HydrophobicContact CZ-CD2 4.42Å; F319-L341 HydrophobicContact CB-CD2 3.55Å; F319-L341 HydrophobicContact CD1-CD1 3.9Å; F319-L341 HydrophobicContact CD1-CD2 3.89Å; F319-L341 HydrophobicContact CD2-CD1 4.3Å; F319-L341 HydrophobicContact CD2-CD2 4.05Å; F319-L341 HydrophobicContact CE1-CD1 3.77Å; F319-L341 HydrophobicContact CE2-CD1 4.17Å; F319-L341 HydrophobicContact CG-CD1 4.16Å; F319-L341 HydrophobicContact CG-CD2 3.58Å; F319-L341 HydrophobicContact CZ-CD1 3.9Å; W320-L341 HydrophobicContact CZ2-CD1 4.16Å; I337-L341 HydrophobicContact CG2-CD1 3.85Å; I337-L341 HydrophobicContact CG2-CG 4.25Å; I337-L341 VanDerWaalsContact O-CG 3.29Å; I337-L341 WeakPolarHBondContact O-CG 3.45Å; I337-L341 PolarHBondContact O-N 3.41Å; R339-L341 VanDerWaalsContact C-N 3.28Å; R339-L341 PolarHBondContact O-N 2.85Å; L341-N343 PolarHBondContact O-N 3.12Å; L341-Q344 WeakPolarHBondContact O-CB 3.44Å; L341-Q344 PolarHBondContact O-N 3.06Å; L341-F371 HydrophobicContact CB-CE2 4.34Å; L341-F371 HydrophobicContact CD1-CE2 4Å; L341-F371 HydrophobicContact CD1-CZ 4.37Å; L341-Y375 HydrophobicContact CB-CE2 4.21Å; L341-Y375 PolarHBondContact O-OH 2.84Å
342L84.1Confident85.8Confident12 Ų1246.4 Ų46.46%0.06323%0.23CC..Hα-helixtrans-59.1-30.7176.6-75175.8000112.8C338 R339 Q344 I367 E370 F371 R374 Y375C338-L342 WeakPolarHBondContact O-CG 3.3Å; C338-L342 PolarHBondContact O-N 3.14Å; R339-L342 PolarHBondContact O-N 3.15Å; L342-Q344 VanDerWaalsContact C-N 3.29Å; L342-Q344 PolarHBondContact O-N 3.27Å; L342-I367 HydrophobicContact CD1-CB 3.71Å; L342-I367 HydrophobicContact CD1-CD1 4.35Å; L342-I367 HydrophobicContact CD1-CG1 4.45Å; L342-I367 HydrophobicContact CD1-CG2 4.26Å; L342-E370 HydrophobicContact CD1-CG 4.48Å; L342-E370 HydrophobicContact CD2-CG 4.04Å; L342-F371 HydrophobicContact CD1-CB 4.24Å; L342-F371 HydrophobicContact CG-CD2 4.21Å; L342-R374 HydrophobicContact CD2-CB 4.32Å; L342-R374 PolarHBondContact O-NH1 2.97Å; L342-Y375 HydrophobicContact CD2-CE2 3.97Å; L342-Y375 HydrophobicContact CG-CE2 4.45Å; L342-Y375 PolarHBondContact N-OH 2.68Å
343N80.8Confident85.8Confident74 Ų7447.4 Ų47.440%0.39623%0.234SC..THydrogen-bonded Turntrans-80.1-4.7176.3-75.412.2000114.1R339 Y340 L341 M531R339-N343 PolarHBondContact NH1-ND2 2.84Å; R339-N343 PolarHBondContact O-N 3.09Å; Y340-N343 PolarHBondContact O-N 3.14Å; L341-N343 PolarHBondContact O-N 3.12Å; N343-M531 WeakPolarHBondContact ND2-CB 3.23Å; N343-M531 PolarHBondContact ND2-O 3.48Å; N343-M531 WeakPolarHBondContact OD1-CB 3.31Å
344Q85.3Confident86.1Confident53 Ų5355.8 Ų55.825%0.24827%0.266CS..SBendtrans-72.9151.1174.1-66.9-55.7-73.600111.4A316 Y340 L341 L342 R374A316-Q344 HydrophobicContact CB-CG 3.81Å; Y340-Q344 WeakPolarHBondContact O-CG 3.36Å; Y340-Q344 PolarHBondContact O-N 3.02Å; Y340-Q344 PolarHBondContact O-NE2 3.29Å; L341-Q344 WeakPolarHBondContact O-CB 3.44Å; L341-Q344 PolarHBondContact O-N 3.06Å; L342-Q344 VanDerWaalsContact C-N 3.29Å; L342-Q344 PolarHBondContact O-N 3.27Å; Q344-R374 PolarHBondContact O-NH2 3.42Å
345P88.6Confident87Confident91 Ų9155.5 Ų55.559%0.59127%0.265SS*.PPolyproline II helixtrans-56.1142.4164.2-21.832.9000110.8R347P345-R347 PolarHBondContact O-N 2.98Å
346V92.9Very high88.2Confident115 Ų11558.8 Ų58.870%0.69728%0.275SS*.PPolyproline II helixtrans-60.5137.2177.1179.60000110
347R90.1Very high89.5Confident101 Ų10157.9 Ų57.938%0.38127%0.271SS..  trans-136153.4177.9-67.9-179.1173-167.3-1.7111.1S317 D321 P345 S349 E350S317-R347 PolarHBondContact O-NH1 3.11Å; D321-R347 IonicContact OD2-NH1 3.36Å; P345-R347 PolarHBondContact O-N 2.98Å; R347-S349 PolarHBondContact O-N 2.91Å; R347-E350 HydrophobicContact CB-CG 4.31Å; R347-E350 PolarHBondContact N-OE1 3.23Å; R347-E350 VanDerWaalsContact O-CB 3.24Å; R347-E350 WeakPolarHBondContact O-CB 3.48Å; R347-E350 VanDerWaalsContact O-CG 3.28Å; R347-E350 WeakPolarHBondContact O-CG 3.17Å; R347-E350 PolarHBondContact O-N 2.98Å; R347-E350 VanDerWaalsContact O-N 3.14Å
348D90.5Very high90.3Very high135 Ų13557.9 Ų57.972%0.72227%0.271SS*.THydrogen-bonded Turntrans-61.4-33178.7-64.3-23.2000112.6E350 R351 Q352D348-E350 PolarHBondContact O-N 3.14Å; D348-E350 VanDerWaalsContact O-N 3.14Å; D348-R351 PolarHBondContact O-N 3.24Å; D348-R351 VanDerWaalsContact O-N 3.09Å; D348-Q352 WeakPolarHBondContact O-CG 3.46Å; D348-Q352 PolarHBondContact O-N 3.38Å
349S93.2Very high91Very high10 Ų1057.9 Ų57.97%0.0727%0.271CS..Hα-helixtrans-62.3-21.317954.60000113.6D321 R347 R351 Q352D321-S349 WeakPolarHBondContact OD1-CB 3.24Å; D321-S349 PolarHBondContact OD1-OG 3.37Å; R347-S349 PolarHBondContact O-N 2.91Å; S349-R351 PolarHBondContact O-N 3.11Å; S349-R351 VanDerWaalsContact O-N 3.15Å; S349-Q352 PolarHBondContact O-N 2.75Å
350E92.9Very high91.8Very high7 Ų757.4 Ų57.43%0.03327%0.269CS..Hα-helixtrans-63.2-15.7174.8-60.4-174.2177.600113.5W320 R347 D348 H353 R374 Y375W320-E350 HydrophobicContact CG-CG 4.21Å; R347-E350 HydrophobicContact CB-CG 4.31Å; R347-E350 PolarHBondContact N-OE1 3.23Å; R347-E350 VanDerWaalsContact O-CB 3.24Å; R347-E350 WeakPolarHBondContact O-CB 3.48Å; R347-E350 VanDerWaalsContact O-CG 3.28Å; R347-E350 WeakPolarHBondContact O-CG 3.17Å; R347-E350 PolarHBondContact O-N 2.98Å; R347-E350 VanDerWaalsContact O-N 3.14Å; D348-E350 PolarHBondContact O-N 3.14Å; D348-E350 VanDerWaalsContact O-N 3.14Å; E350-H353 PolarHBondContact O-CD2 3.01Å; E350-H353 PolarHBondContact O-NE2 3.02Å; E350-H353 VanDerWaalsContact O-NE2 3.13Å; E350-R374 IonicContact OE1-CZ 3.48Å; E350-R374 IonicContact OE1-NE 3.69Å; E350-R374 IonicContact OE1-NH2 2.69Å; E350-R374 PolarHBondContact OE1-NH2 3.24Å; E350-R374 IonicContact OE2-CZ 2.7Å; E350-R374 IonicContact OE2-NE 3.94Å; E350-R374 PolarHBondContact OE2-NE 2.99Å; E350-R374 IonicContact OE2-NH2 2.65Å; E350-R374 PolarHBondContact OE2-NH2 3.22Å; E350-Y375 HydrophobicContact CB-CD1 3.93Å; E350-Y375 HydrophobicContact CB-CE1 4.02Å; E350-Y375 HydrophobicContact CG-CD1 4.2Å; E350-Y375 HydrophobicContact CG-CE1 3.79Å
351R91.4Very high92.3Very high164 Ų16457.7 Ų57.762%0.61927%0.273SS*.Hα-helixtrans-121.1-8177.4-64.4-168.3177.2-75.2-6.8114.4D348 S349 R374D348-R351 PolarHBondContact O-N 3.24Å; D348-R351 VanDerWaalsContact O-N 3.09Å; S349-R351 PolarHBondContact O-N 3.11Å; S349-R351 VanDerWaalsContact O-N 3.15Å; R351-R374 PolarHBondContact NH2-O 3.07Å
352Q96.4Very high92.1Very high123 Ų12360 Ų6058%0.57530%0.296SS*.Hα-helixtrans-87-15.1-179.2-69173.2-4.300113.3V324 D348 S349V324-Q352 HydrophobicContact CG2-CB 3.79Å; D348-Q352 WeakPolarHBondContact O-CG 3.46Å; D348-Q352 PolarHBondContact O-N 3.38Å; S349-Q352 PolarHBondContact O-N 2.75Å
353H96.9Very high92.1Very high21 Ų2159.8 Ų59.810%0.09730%0.296CS..SBendtrans-71.3163.5-178.967.959.5000112.8W320 C323 V324 E350 V355 Y375W320-H353 AromaticContact CD2-CD2 3.94Å; W320-H353 HydrophobicContact CE3-CB 4.46Å; W320-H353 AromaticContact CE3-CD2 3.11Å; W320-H353 AromaticContact CE3-CG 3.91Å; W320-H353 AromaticContact CE3-NE2 3.58Å; W320-H353 AromaticContact CH2-NE2 3.95Å; W320-H353 AromaticContact CZ3-CD2 3.35Å; W320-H353 WeakPolarHBondContact CZ3-CD2 3.44Å; W320-H353 AromaticContact CZ3-NE2 3.32Å; W320-H353 VanDerWaalsContact CZ3-NE2 3.32Å; W320-H353 WeakPolarHBondContact CZ3-NE2 3.4Å; C323-H353 HydrophobicContact CB-CB 4.05Å; V324-H353 HydrophobicContact CG2-CB 4.1Å; E350-H353 PolarHBondContact O-CD2 3.01Å; E350-H353 PolarHBondContact O-NE2 3.02Å; E350-H353 VanDerWaalsContact O-NE2 3.13Å; H353-V355 HydrophobicContact CB-CG2 4.17Å; H353-V355 WeakPolarHBondContact ND1-CB 3.32Å; H353-V355 PolarHBondContact ND1-N 2.81Å; H353-V355 VanDerWaalsContact ND1-N 3.14Å; H353-Y375 PolarHBondContact CE1-O 3.09Å; H353-Y375 PolarHBondContact NE2-O 3Å; H353-Y375 VanDerWaalsContact NE2-O 3.17Å
354R97.4Very high91.9Very high179 Ų17958.9 Ų58.968%0.67529%0.287SS*.  trans-101.212176.6-61.7-175.2178.9-153.9-0.9114C328 R356C328-R354 CarbonylContact O-C 3.51Å; R354-R356 PolarHBondContact O-N 3.35Å; R354-R356 VanDerWaalsContact O-N 3.16Å
355V98.5Very high91.7Very high6 Ų662.5 Ų62.54%0.03630%0.304CS..  trans-61.8117.6-176.3-177.80000110.5W320 C323 C328 T329 V331 H353 M357 I377W320-V355 HydrophobicContact CZ3-CB 4.47Å; W320-V355 HydrophobicContact CZ3-CG2 4.15Å; C323-V355 HydrophobicContact CB-CG2 4.18Å; C328-V355 HydrophobicContact CB-CG2 4.42Å; C328-V355 WeakPolarHBondContact O-CG2 3.27Å; C328-V355 PolarHBondContact O-N 2.83Å; T329-V355 CarbonylContact O-C 3.47Å; T329-V355 WeakPolarHBondContact O-CA 3.35Å; V331-V355 HydrophobicContact CB-CG1 4.38Å; V331-V355 HydrophobicContact CG1-CB 4.39Å; V331-V355 HydrophobicContact CG1-CG1 3.86Å; V331-V355 HydrophobicContact CG1-CG2 3.61Å; V331-V355 HydrophobicContact CG2-CG1 3.92Å; H353-V355 HydrophobicContact CB-CG2 4.17Å; H353-V355 WeakPolarHBondContact ND1-CB 3.32Å; H353-V355 PolarHBondContact ND1-N 2.81Å; H353-V355 VanDerWaalsContact ND1-N 3.14Å; V355-M357 WeakPolarHBondContact CG1-O 3.29Å; V355-I377 HydrophobicContact CB-CD1 4.49Å; V355-I377 HydrophobicContact CG1-CD1 3.8Å; V355-I377 HydrophobicContact CG1-CG1 4.14Å
356R97.9Very high91.1Very high78 Ų7860.9 Ų60.929%0.29430%0.295SS..  trans-102-13.8177.564.8174-172.288.9-10.1112.8R275 D280 T329 R354 P378R275-R356 PolarHBondContact O-NH2 2.88Å; D280-R356 IonicContact OD1-CZ 3.6Å; D280-R356 IonicContact OD1-NE 2.63Å; D280-R356 PolarHBondContact OD1-NE 3.2Å; D280-R356 IonicContact OD1-NH2 3.97Å; D280-R356 PolarHBondContact OD1-NH2 3.48Å; D280-R356 IonicContact OD2-CZ 3.08Å; D280-R356 IonicContact OD2-NH2 3.44Å; D280-R356 PolarHBondContact OD2-NH2 3.22Å; T329-R356 WeakPolarHBondContact O-CG 3.37Å; T329-R356 PolarHBondContact O-N 3.26Å; R354-R356 PolarHBondContact O-N 3.35Å; R354-R356 VanDerWaalsContact O-N 3.16Å; R356-P378 VanDerWaalsContact O-CD 3.3Å; R356-P378 WeakPolarHBondContact O-CD 3.5Å; R356-P378 VanDerWaalsContact O-CG 3.31Å; R356-P378 WeakPolarHBondContact O-CG 3.48Å
357M98.2Very high90.5Very high0 Ų055.7 Ų55.70%026%0.263CS..EExtended strand (participates in β ladder)trans-153.5135.4-173.4-175.8174.964.400111.4F274 M276 T329 I330 V331 V355 Q379 A381F274-M357 HydrophobicContact CB-CE 4.39Å; F274-M357 HydrophobicContact CB-SD 3.73Å; F274-M357 HydrophobicContact CG-SD 4.47Å; M276-M357 HydrophobicContact CE-CE 3.65Å; M276-M357 HydrophobicContact CG-CE 3.8Å; M276-M357 HydrophobicContact SD-CE 4.43Å; T329-M357 PolarHBondContact O-N 3.37Å; I330-M357 WeakPolarHBondContact CA-O 3.15Å; I330-M357 HydrophobicContact CB-CE 4.4Å; I330-M357 HydrophobicContact CD1-CE 3.36Å; I330-M357 HydrophobicContact CG1-CB 4.43Å; I330-M357 HydrophobicContact CG1-CE 3.65Å; I330-M357 HydrophobicContact CG2-CE 3.85Å; V331-M357 PolarHBondContact N-O 2.77Å; V331-M357 VanDerWaalsContact N-O 3.08Å; V355-M357 WeakPolarHBondContact CG1-O 3.29Å; M357-Q379 WeakPolarHBondContact CA-O 3.41Å; M357-Q379 HydrophobicContact CB-CB 4.48Å; M357-Q379 HydrophobicContact CG-CB 4.24Å; M357-Q379 HydrophobicContact CG-CG 4.19Å; M357-Q379 HydrophobicContact SD-CG 4.46Å; M357-A381 HydrophobicContact CG-CB 3.68Å; M357-A381 HydrophobicContact SD-CB 3.49Å; M357-A381 WeakPolarHBondContact SD-CB 3.28Å
358A98.1Very high90.4Very high0 Ų050.9 Ų50.90%025%0.245CC..EExtended strand (participates in β ladder)trans-102.1118.6165.700000108.6V331 Y333 F371 I377 Q379 I380 A381V331-A358 HydrophobicContact CG2-CB 3.82Å; V331-A358 CarbonylContact O-C 3.6Å; V331-A358 WeakPolarHBondContact O-CA 3.24Å; Y333-A358 HydrophobicContact CD1-CB 3.76Å; Y333-A358 HydrophobicContact CE1-CB 3.91Å; Y333-A358 WeakPolarHBondContact CE1-O 3.49Å; A358-F371 HydrophobicContact CB-CE1 4.09Å; A358-I377 HydrophobicContact CB-CD1 4.48Å; A358-I377 HydrophobicContact CB-CG2 4.28Å; A358-Q379 PolarHBondContact N-O 3.3Å; A358-I380 HydrophobicContact CB-CD1 3.88Å; A358-I380 CarbonylContact O-C 3.56Å; A358-A381 PolarHBondContact O-N 3.43Å
359L97.9Very high90.6Very high0 Ų051 Ų510%024%0.241CC..EExtended strand (participates in β ladder)trans-102.6125-179.3173.871.1000109.9V270 F274 M276 L282 V296 I330 V331 Q332 Y333 A381 F383V270-L359 HydrophobicContact CB-CD1 4.26Å; V270-L359 HydrophobicContact CG1-CD1 4.47Å; F274-L359 HydrophobicContact CD2-CD1 3.99Å; F274-L359 HydrophobicContact CE2-CD1 4.15Å; M276-L359 HydrophobicContact CE-CD1 3.67Å; M276-L359 HydrophobicContact CE-CD2 3.44Å; M276-L359 VanDerWaalsContact CE-CD2 3.44Å; M276-L359 HydrophobicContact CE-CG 4.05Å; L282-L359 HydrophobicContact CD1-CD2 4.14Å; V296-L359 HydrophobicContact CG1-CD1 4.49Å; V296-L359 HydrophobicContact CG1-CD2 3.58Å; V296-L359 HydrophobicContact CG1-CG 4.06Å; I330-L359 HydrophobicContact CG2-CB 3.96Å; V331-L359 PolarHBondContact O-N 3.33Å; Q332-L359 CarbonylContact C-O 3.5Å; Q332-L359 VanDerWaalsContact CA-O 3.25Å; Q332-L359 WeakPolarHBondContact CA-O 3.29Å; Q332-L359 WeakPolarHBondContact CG-O 3.45Å; Y333-L359 VanDerWaalsContact CD1-C 3.47Å; Y333-L359 WeakPolarHBondContact CD1-O 3.49Å; Y333-L359 VanDerWaalsContact CE1-C 3.47Å; Y333-L359 PolarHBondContact N-O 2.85Å; L359-A381 HydrophobicContact CB-CB 4.34Å; L359-A381 HydrophobicContact CD1-CB 3.81Å; L359-F383 HydrophobicContact CD1-CD1 4.17Å; L359-F383 HydrophobicContact CD1-CE1 4.29Å
360G92.3Very high90.5Very high1 Ų155.6 Ų55.61%0.0126%0.261CS..EExtended strand (participates in β ladder)trans175.5-164.7-17700000114.5Y333 A381 E382 F383Y333-G360 VanDerWaalsContact CE1-CA 3.47Å; Y333-G360 VanDerWaalsContact CE1-N 3.29Å; Y333-G360 WeakPolarHBondContact O-CA 3.19Å; G360-A381 PolarHBondContact N-O 2.97Å; G360-A381 VanDerWaalsContact N-O 3.13Å; G360-E382 WeakPolarHBondContact O-CA 3.4Å; G360-F383 WeakPolarHBondContact O-CD1 3.49Å; G360-F383 WeakPolarHBondContact O-CE1 3.31Å; G360-F383 PolarHBondContact O-N 3.07Å
361N87.6Confident90.5Very high40 Ų4055.4 Ų55.421%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-144.5151.2179.264.1-21000113I334 G335 E382 F383I334-N361 CarbonylContact C-O 3.55Å; I334-N361 WeakPolarHBondContact CA-O 3.45Å; G335-N361 PolarHBondContact N-O 3.25Å; N361-E382 WeakPolarHBondContact CA-OE1 3.15Å; N361-F383 HydrophobicContact CB-CE2 4.36Å; N361-F383 HydrophobicContact CB-CZ 4.34Å; N361-F383 WeakPolarHBondContact CB-O 3.29Å
362G83Confident90.7Very high49 Ų4949.4 Ų49.451%0.50524%0.24SC..  trans79.923.8176.100000115G335 R364 E382G335-G362 WeakPolarHBondContact CA-O 3.08Å; G362-R364 PolarHBondContact O-N 3.36Å; G362-E382 PolarHBondContact N-OE1 2.95Å; G362-E382 PolarHBondContact N-OE2 2.98Å
363L83.6Confident90.7Very high9 Ų951.7 Ų51.75%0.04725%0.248CC..  trans-66.3122.4175.3-17356.8000110.5Y333 C338 Q365 I367 W368 I380 E382Y333-L363 HydrophobicContact CE2-CB 3.76Å; C338-L363 HydrophobicContact CB-CD1 3.51Å; L363-Q365 PolarHBondContact O-N 2.91Å; L363-I367 HydrophobicContact CD1-CD1 3.81Å; L363-I367 HydrophobicContact CD1-CG1 3.78Å; L363-W368 HydrophobicContact CB-CE3 3.75Å; L363-W368 HydrophobicContact CB-CZ3 3.87Å; L363-W368 HydrophobicContact CD2-CB 4.22Å; L363-W368 HydrophobicContact CD2-CD2 3.62Å; L363-W368 HydrophobicContact CD2-CE3 3.65Å; L363-W368 HydrophobicContact CD2-CG 3.88Å; L363-W368 HydrophobicContact CD2-CZ3 4.28Å; L363-W368 HydrophobicContact CG-CB 4.45Å; L363-W368 HydrophobicContact CG-CD2 4.13Å; L363-W368 HydrophobicContact CG-CE3 3.68Å; L363-W368 HydrophobicContact CG-CG 4.47Å; L363-W368 HydrophobicContact CG-CZ3 4.31Å; L363-I380 HydrophobicContact CD2-CB 4.46Å; L363-I380 HydrophobicContact CD2-CD1 4.2Å; L363-I380 HydrophobicContact CD2-CG1 4.02Å; L363-I380 HydrophobicContact CD2-CG2 3.69Å; L363-E382 VanDerWaalsContact CB-OE2 3.31Å; L363-E382 WeakPolarHBondContact CB-OE2 3.49Å; L363-E382 PolarHBondContact N-OE2 3.18Å
364R77.2Confident90.6Very high54 Ų5452.6 Ų52.620%0.20425%0.25CS..  trans-67.8133.8178.4-59.7-179.3-172.8-115.74.2109.8E336 G362 S366 I367 W368E336-R364 IonicContact OE1-CZ 2.65Å; E336-R364 IonicContact OE1-NE 3.77Å; E336-R364 PolarHBondContact OE1-NE 2.93Å; E336-R364 IonicContact OE1-NH2 3.96Å; E336-R364 PolarHBondContact OE1-NH2 3.01Å; G362-R364 PolarHBondContact O-N 3.36Å; R364-S366 PolarHBondContact O-N 2.59Å; R364-S366 VanDerWaalsContact O-N 3.16Å; R364-I367 HydrophobicContact CB-CG1 4.19Å; R364-I367 WeakPolarHBondContact O-CG1 3.35Å; R364-I367 PolarHBondContact O-N 3.25Å; R364-I367 VanDerWaalsContact O-N 3.14Å; R364-W368 PolarHBondContact O-N 3.35Å
365Q80.5Confident90.6Very high129 Ų12944.1 Ų44.160%0.60322%0.218SC*.Hα-helixtrans-54-37.9179.3-175.6178.8-600112.4L363 I367 W368 V400L363-Q365 PolarHBondContact O-N 2.91Å; Q365-I367 PolarHBondContact O-N 3.31Å; Q365-W368 WeakPolarHBondContact O-CB 3.42Å; Q365-W368 PolarHBondContact O-N 2.75Å; Q365-V400 HydrophobicContact CG-CG1 4.09Å
366S77.4Confident90.5Very high58 Ų5849.5 Ų49.541%0.40625%0.247SC..Hα-helixtrans-65-21.7-176.759.80000114.9R364R364-S366 PolarHBondContact O-N 2.59Å; R364-S366 VanDerWaalsContact O-N 3.16Å
367I79.8Confident90.4Very high5 Ų545.9 Ų45.93%0.02623%0.234CC..Hα-helixtrans-111.6-1.5-179.868.2172.3000112.8C338 R339 L342 L363 R364 Q365 F371 M531C338-I367 HydrophobicContact CB-CD1 4.16Å; R339-I367 HydrophobicContact CB-CD1 4.14Å; L342-I367 HydrophobicContact CD1-CB 3.71Å; L342-I367 HydrophobicContact CD1-CD1 4.35Å; L342-I367 HydrophobicContact CD1-CG1 4.45Å; L342-I367 HydrophobicContact CD1-CG2 4.26Å; L363-I367 HydrophobicContact CD1-CD1 3.81Å; L363-I367 HydrophobicContact CD1-CG1 3.78Å; R364-I367 HydrophobicContact CB-CG1 4.19Å; R364-I367 WeakPolarHBondContact O-CG1 3.35Å; R364-I367 PolarHBondContact O-N 3.25Å; R364-I367 VanDerWaalsContact O-N 3.14Å; Q365-I367 PolarHBondContact O-N 3.31Å; I367-F371 VanDerWaalsContact O-CB 3.26Å; I367-F371 WeakPolarHBondContact O-CB 3.49Å; I367-F371 PolarHBondContact O-N 2.96Å; I367-M531 HydrophobicContact CG2-CE 3.93Å
368W88.4Confident90.3Very high1 Ų149.9 Ų49.90%0.00426%0.26CS..Hα-helixtrans-63.4-53.6-170-169.8-61.2000112.5L363 R364 Q365 F371 M372 I380 E382 V400L363-W368 HydrophobicContact CB-CE3 3.75Å; L363-W368 HydrophobicContact CB-CZ3 3.87Å; L363-W368 HydrophobicContact CD2-CB 4.22Å; L363-W368 HydrophobicContact CD2-CD2 3.62Å; L363-W368 HydrophobicContact CD2-CE3 3.65Å; L363-W368 HydrophobicContact CD2-CG 3.88Å; L363-W368 HydrophobicContact CD2-CZ3 4.28Å; L363-W368 HydrophobicContact CG-CB 4.45Å; L363-W368 HydrophobicContact CG-CD2 4.13Å; L363-W368 HydrophobicContact CG-CE3 3.68Å; L363-W368 HydrophobicContact CG-CG 4.47Å; L363-W368 HydrophobicContact CG-CZ3 4.31Å; R364-W368 PolarHBondContact O-N 3.35Å; Q365-W368 WeakPolarHBondContact O-CB 3.42Å; Q365-W368 PolarHBondContact O-N 2.75Å; W368-F371 PolarHBondContact O-N 2.89Å; W368-M372 VanDerWaalsContact CD1-SD 3.52Å; W368-M372 PolarHBondContact NE1-SD 2.91Å; W368-M372 WeakPolarHBondContact O-CG 3.22Å; W368-M372 PolarHBondContact O-N 3.38Å; W368-M372 VanDerWaalsContact O-N 3.12Å; W368-I380 HydrophobicContact CD2-CG1 4.49Å; W368-I380 HydrophobicContact CH2-CB 4.3Å; W368-I380 HydrophobicContact CH2-CG2 3.86Å; W368-I380 HydrophobicContact CZ2-CB 3.49Å; W368-I380 VanDerWaalsContact CZ2-CB 3.49Å; W368-I380 HydrophobicContact CZ2-CG1 4.14Å; W368-I380 HydrophobicContact CZ2-CG2 3.54Å; W368-I380 HydrophobicContact CZ3-CG2 4.44Å; W368-E382 HydrophobicContact CH2-CB 3.44Å; W368-E382 VanDerWaalsContact CH2-CB 3.44Å; W368-E382 HydrophobicContact CH2-CG 3.73Å; W368-E382 HydrophobicContact CZ2-CB 4.28Å; W368-E382 HydrophobicContact CZ3-CB 4.17Å; W368-E382 HydrophobicContact CZ3-CG 4.01Å; W368-V400 HydrophobicContact CB-CG1 4.03Å; W368-V400 HydrophobicContact CD2-CG1 4.41Å; W368-V400 HydrophobicContact CG-CB 4.5Å; W368-V400 HydrophobicContact CG-CG1 3.95Å; W368-V400 HydrophobicContact CG-CG2 4.44Å
369E93.2Very high90.3Very high137 Ų13752 Ų5264%0.6427%0.269SS*.Hα-helixtrans-69.9-37.3-177.3-64.7-176.4156.600111.6M372 K373 V400E369-M372 PolarHBondContact O-N 3.15Å; E369-K373 VanDerWaalsContact O-CB 3.28Å; E369-K373 WeakPolarHBondContact O-CB 3.47Å; E369-K373 PolarHBondContact O-N 2.91Å; E369-V400 HydrophobicContact CG-CG1 4.29Å; E369-V400 HydrophobicContact CG-CG2 4.14Å
370E92.3Very high90.2Very high107 Ų10752 Ų5250%0.527%0.269SS..Hα-helixtrans-61.6-46.5175.3-171.9-175.4165.100111.3L342 M372 K373 R374L342-E370 HydrophobicContact CD1-CG 4.48Å; L342-E370 HydrophobicContact CD2-CG 4.04Å; E370-M372 PolarHBondContact O-N 3.29Å; E370-K373 PolarHBondContact O-N 3.38Å; E370-R374 WeakPolarHBondContact O-CB 3.45Å; E370-R374 PolarHBondContact O-N 2.84Å
371F92.8Very high90.5Very high2 Ų252 Ų521%0.00927%0.269CS..Hα-helixtrans-58.5-49.2176.5-174.7-88.9000111.7W320 C338 L341 L342 A358 I367 W368 K373 Y375 I377 I380W320-F371 HydrophobicContact CZ2-CZ 4.46Å; C338-F371 HydrophobicContact CB-CD2 3.66Å; C338-F371 HydrophobicContact CB-CE2 3.74Å; C338-F371 HydrophobicContact CB-CG 4.33Å; C338-F371 HydrophobicContact CB-CZ 4.45Å; L341-F371 HydrophobicContact CB-CE2 4.34Å; L341-F371 HydrophobicContact CD1-CE2 4Å; L341-F371 HydrophobicContact CD1-CZ 4.37Å; L342-F371 HydrophobicContact CD1-CB 4.24Å; L342-F371 HydrophobicContact CG-CD2 4.21Å; A358-F371 HydrophobicContact CB-CE1 4.09Å; I367-F371 VanDerWaalsContact O-CB 3.26Å; I367-F371 WeakPolarHBondContact O-CB 3.49Å; I367-F371 PolarHBondContact O-N 2.96Å; W368-F371 PolarHBondContact O-N 2.89Å; F371-K373 VanDerWaalsContact C-N 3.34Å; F371-K373 PolarHBondContact O-N 2.86Å; F371-Y375 HydrophobicContact CD1-CD2 4.3Å; F371-Y375 AromaticContact CD2-CD2 3.64Å; F371-Y375 HydrophobicContact CD2-CD2 3.64Å; F371-Y375 AromaticContact CD2-CE2 3.54Å; F371-Y375 HydrophobicContact CD2-CE2 3.54Å; F371-Y375 HydrophobicContact CE1-CD2 4.24Å; F371-Y375 AromaticContact CE2-CD2 3.55Å; F371-Y375 HydrophobicContact CE2-CD2 3.55Å; F371-Y375 AromaticContact CE2-CE2 3.51Å; F371-Y375 HydrophobicContact CE2-CE2 3.51Å; F371-Y375 HydrophobicContact CG-CD2 4.01Å; F371-Y375 HydrophobicContact CG-CE2 4.3Å; F371-Y375 AromaticContact CZ-CD2 3.88Å; F371-Y375 HydrophobicContact CZ-CD2 3.88Å; F371-Y375 HydrophobicContact CZ-CE2 4.27Å; F371-Y375 VanDerWaalsContact O-CD2 3.29Å; F371-Y375 WeakPolarHBondContact O-CD2 3.41Å; F371-Y375 PolarHBondContact O-N 2.82Å; F371-I377 HydrophobicContact CE1-CD1 3.86Å; F371-I377 HydrophobicContact CZ-CD1 4.34Å; F371-I380 HydrophobicContact CD1-CD1 3.87Å; F371-I380 HydrophobicContact CE1-CD1 4.13Å
372M95.8Very high90.8Very high38 Ų3850.4 Ų50.419%0.18726%0.26CS..Hα-helixtrans-58.8-45.5177.2-71.6-179.568.200111.8W368 E369 E370 N376 I377 P378 I380W368-M372 VanDerWaalsContact CD1-SD 3.52Å; W368-M372 PolarHBondContact NE1-SD 2.91Å; W368-M372 WeakPolarHBondContact O-CG 3.22Å; W368-M372 PolarHBondContact O-N 3.38Å; W368-M372 VanDerWaalsContact O-N 3.12Å; E369-M372 PolarHBondContact O-N 3.15Å; E370-M372 PolarHBondContact O-N 3.29Å; M372-N376 VanDerWaalsContact O-CA 3.29Å; M372-N376 WeakPolarHBondContact O-CA 3.3Å; M372-N376 PolarHBondContact O-N 3.33Å; M372-I377 WeakPolarHBondContact CB-O 3.29Å; M372-I377 WeakPolarHBondContact CE-O 3.38Å; M372-I377 WeakPolarHBondContact CG-O 3.36Å; M372-I377 PolarHBondContact O-N 3.03Å; M372-P378 VanDerWaalsContact CE-O 3.22Å; M372-P378 WeakPolarHBondContact CE-O 3.43Å; M372-I380 HydrophobicContact CG-CD1 3.77Å; M372-I380 HydrophobicContact CG-CG1 3.63Å; M372-I380 HydrophobicContact SD-CG1 3.81Å
373K96.1Very high91.4Very high172 Ų17249.2 Ų49.275%0.74824%0.241SC*.Hα-helixtrans-68.3-45.1-177.6-177.1-179177.8-176.70112.6E369 E370 F371E369-K373 VanDerWaalsContact O-CB 3.28Å; E369-K373 WeakPolarHBondContact O-CB 3.47Å; E369-K373 PolarHBondContact O-N 2.91Å; E370-K373 PolarHBondContact O-N 3.38Å; F371-K373 VanDerWaalsContact C-N 3.34Å; F371-K373 PolarHBondContact O-N 2.86Å
374R95.6Very high91.8Very high40 Ų4049.5 Ų49.515%0.15124%0.242CC..Hα-helixtrans-62.5-50.5-177.5-178.5174.6174.9168.6-11.9111.1L342 Q344 E350 R351 E370L342-R374 HydrophobicContact CD2-CB 4.32Å; L342-R374 PolarHBondContact O-NH1 2.97Å; Q344-R374 PolarHBondContact O-NH2 3.42Å; E350-R374 IonicContact OE1-CZ 3.48Å; E350-R374 IonicContact OE1-NE 3.69Å; E350-R374 IonicContact OE1-NH2 2.69Å; E350-R374 PolarHBondContact OE1-NH2 3.24Å; E350-R374 IonicContact OE2-CZ 2.7Å; E350-R374 IonicContact OE2-NE 3.94Å; E350-R374 PolarHBondContact OE2-NE 2.99Å; E350-R374 IonicContact OE2-NH2 2.65Å; E350-R374 PolarHBondContact OE2-NH2 3.22Å; R351-R374 PolarHBondContact NH2-O 3.07Å; E370-R374 WeakPolarHBondContact O-CB 3.45Å; E370-R374 PolarHBondContact O-N 2.84Å
375Y96.9Very high92.4Very high0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-92.94-174.6-55.3-59.4000113.9W320 L341 L342 E350 H353 F371 I377W320-Y375 AromaticContact CD1-CE1 3.99Å; W320-Y375 HydrophobicContact CD2-CD1 4.27Å; W320-Y375 AromaticContact CE2-CD1 3.38Å; W320-Y375 AromaticContact CE2-CE1 3.47Å; W320-Y375 VanDerWaalsContact CE2-CE1 3.47Å; W320-Y375 AromaticContact CE2-CG 3.9Å; W320-Y375 HydrophobicContact CH2-CD1 4.08Å; W320-Y375 HydrophobicContact CH2-CD2 4.28Å; W320-Y375 AromaticContact CH2-CG 3.81Å; W320-Y375 HydrophobicContact CH2-CG 3.81Å; W320-Y375 AromaticContact CZ2-CD1 3.28Å; W320-Y375 HydrophobicContact CZ2-CD1 3.28Å; W320-Y375 AromaticContact CZ2-CD2 3.6Å; W320-Y375 HydrophobicContact CZ2-CD2 3.6Å; W320-Y375 AromaticContact CZ2-CE1 3.65Å; W320-Y375 HydrophobicContact CZ2-CE1 3.65Å; W320-Y375 AromaticContact CZ2-CE2 3.91Å; W320-Y375 HydrophobicContact CZ2-CE2 3.91Å; W320-Y375 AromaticContact CZ2-CG 3.26Å; W320-Y375 HydrophobicContact CZ2-CG 3.26Å; W320-Y375 AromaticContact CZ2-CZ 3.94Å; W320-Y375 AromaticContact NE1-CD1 3.51Å; W320-Y375 AromaticContact NE1-CE1 3.07Å; W320-Y375 AromaticContact NE1-CZ 3.59Å; L341-Y375 HydrophobicContact CB-CE2 4.21Å; L341-Y375 PolarHBondContact O-OH 2.84Å; L342-Y375 HydrophobicContact CD2-CE2 3.97Å; L342-Y375 HydrophobicContact CG-CE2 4.45Å; L342-Y375 PolarHBondContact N-OH 2.68Å; E350-Y375 HydrophobicContact CB-CD1 3.93Å; E350-Y375 HydrophobicContact CB-CE1 4.02Å; E350-Y375 HydrophobicContact CG-CD1 4.2Å; E350-Y375 HydrophobicContact CG-CE1 3.79Å; H353-Y375 PolarHBondContact CE1-O 3.09Å; H353-Y375 PolarHBondContact NE2-O 3Å; H353-Y375 VanDerWaalsContact NE2-O 3.17Å; F371-Y375 HydrophobicContact CD1-CD2 4.3Å; F371-Y375 AromaticContact CD2-CD2 3.64Å; F371-Y375 HydrophobicContact CD2-CD2 3.64Å; F371-Y375 AromaticContact CD2-CE2 3.54Å; F371-Y375 HydrophobicContact CD2-CE2 3.54Å; F371-Y375 HydrophobicContact CE1-CD2 4.24Å; F371-Y375 AromaticContact CE2-CD2 3.55Å; F371-Y375 HydrophobicContact CE2-CD2 3.55Å; F371-Y375 AromaticContact CE2-CE2 3.51Å; F371-Y375 HydrophobicContact CE2-CE2 3.51Å; F371-Y375 HydrophobicContact CG-CD2 4.01Å; F371-Y375 HydrophobicContact CG-CE2 4.3Å; F371-Y375 AromaticContact CZ-CD2 3.88Å; F371-Y375 HydrophobicContact CZ-CD2 3.88Å; F371-Y375 HydrophobicContact CZ-CE2 4.27Å; F371-Y375 VanDerWaalsContact O-CD2 3.29Å; F371-Y375 WeakPolarHBondContact O-CD2 3.41Å; F371-Y375 PolarHBondContact O-N 2.82Å; Y375-I377 VanDerWaalsContact C-N 3.27Å; Y375-I377 PolarHBondContact O-N 2.55Å
376N95.7Very high92.7Very high119 Ų11943.5 Ų43.564%0.63623%0.229SC*.THydrogen-bonded Turntrans53.244.1-178.4-169.241000113M372 P378M372-N376 VanDerWaalsContact O-CA 3.29Å; M372-N376 WeakPolarHBondContact O-CA 3.3Å; M372-N376 PolarHBondContact O-N 3.33Å; N376-P378 WeakPolarHBondContact O-CD 3.36Å
377I96.8Very high92.9Very high3 Ų341.4 Ų41.42%0.01521%0.213CC..  trans-99.9110.6179.6-66.1177.1000108.7W320 V355 A358 F371 M372 Y375 Q379 I380W320-I377 HydrophobicContact CH2-CD1 3.73Å; W320-I377 HydrophobicContact CZ3-CD1 4.35Å; V355-I377 HydrophobicContact CB-CD1 4.49Å; V355-I377 HydrophobicContact CG1-CD1 3.8Å; V355-I377 HydrophobicContact CG1-CG1 4.14Å; A358-I377 HydrophobicContact CB-CD1 4.48Å; A358-I377 HydrophobicContact CB-CG2 4.28Å; F371-I377 HydrophobicContact CE1-CD1 3.86Å; F371-I377 HydrophobicContact CZ-CD1 4.34Å; M372-I377 WeakPolarHBondContact CB-O 3.29Å; M372-I377 WeakPolarHBondContact CE-O 3.38Å; M372-I377 WeakPolarHBondContact CG-O 3.36Å; M372-I377 PolarHBondContact O-N 3.03Å; Y375-I377 VanDerWaalsContact C-N 3.27Å; Y375-I377 PolarHBondContact O-N 2.55Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; I377-Q379 WeakPolarHBondContact CG2-O 3.27Å; I377-Q379 PolarHBondContact O-N 3.48Å; I377-I380 HydrophobicContact CG2-CD1 4.29Å
378P95.5Very high93.1Very high84 Ų8441.7 Ų41.755%0.54522%0.215SC..  trans-74.9-18-174.129-35.8000113.7R356 M372 N376 N398R356-P378 VanDerWaalsContact O-CD 3.3Å; R356-P378 WeakPolarHBondContact O-CD 3.5Å; R356-P378 VanDerWaalsContact O-CG 3.31Å; R356-P378 WeakPolarHBondContact O-CG 3.48Å; M372-P378 VanDerWaalsContact CE-O 3.22Å; M372-P378 WeakPolarHBondContact CE-O 3.43Å; N376-P378 WeakPolarHBondContact O-CD 3.36Å; P378-N398 PolarHBondContact O-ND2 3.27Å
379Q97.3Very high92.8Very high44 Ų4441.8 Ų41.821%0.20622%0.215CC..EExtended strand (participates in β ladder)trans-135.3125-176.2-173175.620.300112.6M357 A358 I377M357-Q379 WeakPolarHBondContact CA-O 3.41Å; M357-Q379 HydrophobicContact CB-CB 4.48Å; M357-Q379 HydrophobicContact CG-CB 4.24Å; M357-Q379 HydrophobicContact CG-CG 4.19Å; M357-Q379 HydrophobicContact SD-CG 4.46Å; A358-Q379 PolarHBondContact N-O 3.3Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; I377-Q379 WeakPolarHBondContact CG2-O 3.27Å; I377-Q379 PolarHBondContact O-N 3.48Å
380I97.5Very high92.4Very high0 Ų035.5 Ų35.50%019%0.186CC..EExtended strand (participates in β ladder)trans-98.1104.5162.3-53.8-55.7000107.3Y333 A358 L363 W368 F371 M372 I377 E382 N398Y333-I380 HydrophobicContact CE1-CG2 4.06Å; Y333-I380 WeakPolarHBondContact OH-CG2 3.33Å; A358-I380 HydrophobicContact CB-CD1 3.88Å; A358-I380 CarbonylContact O-C 3.56Å; L363-I380 HydrophobicContact CD2-CB 4.46Å; L363-I380 HydrophobicContact CD2-CD1 4.2Å; L363-I380 HydrophobicContact CD2-CG1 4.02Å; L363-I380 HydrophobicContact CD2-CG2 3.69Å; W368-I380 HydrophobicContact CD2-CG1 4.49Å; W368-I380 HydrophobicContact CH2-CB 4.3Å; W368-I380 HydrophobicContact CH2-CG2 3.86Å; W368-I380 HydrophobicContact CZ2-CB 3.49Å; W368-I380 VanDerWaalsContact CZ2-CB 3.49Å; W368-I380 HydrophobicContact CZ2-CG1 4.14Å; W368-I380 HydrophobicContact CZ2-CG2 3.54Å; W368-I380 HydrophobicContact CZ3-CG2 4.44Å; F371-I380 HydrophobicContact CD1-CD1 3.87Å; F371-I380 HydrophobicContact CE1-CD1 4.13Å; M372-I380 HydrophobicContact CG-CD1 3.77Å; M372-I380 HydrophobicContact CG-CG1 3.63Å; M372-I380 HydrophobicContact SD-CG1 3.81Å; I377-I380 HydrophobicContact CG2-CD1 4.29Å; I380-E382 HydrophobicContact CG2-CB 4.14Å; I380-E382 PolarHBondContact O-N 3.41Å; I380-N398 PolarHBondContact N-OD1 3.37Å; I380-N398 PolarHBondContact O-OD1 2.84Å
381A96.9Very high92Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-78.968.7173.700000110.4F274 M357 A358 L359 G360F274-A381 HydrophobicContact CB-CB 4.04Å; F274-A381 HydrophobicContact CD1-CB 3.41Å; F274-A381 VanDerWaalsContact CD1-CB 3.41Å; F274-A381 HydrophobicContact CD2-CB 3.72Å; F274-A381 VanDerWaalsContact CE1-CA 3.46Å; F274-A381 HydrophobicContact CE1-CB 3.64Å; F274-A381 HydrophobicContact CE2-CB 3.94Å; F274-A381 HydrophobicContact CG-CB 3.45Å; F274-A381 VanDerWaalsContact CG-CB 3.45Å; F274-A381 HydrophobicContact CZ-CB 3.9Å; M357-A381 HydrophobicContact CG-CB 3.68Å; M357-A381 HydrophobicContact SD-CB 3.49Å; M357-A381 WeakPolarHBondContact SD-CB 3.28Å; A358-A381 PolarHBondContact O-N 3.43Å; L359-A381 HydrophobicContact CB-CB 4.34Å; L359-A381 HydrophobicContact CD1-CB 3.81Å; G360-A381 PolarHBondContact N-O 2.97Å; G360-A381 VanDerWaalsContact N-O 3.13Å
382E95.5Very high91.9Very high7 Ų731.2 Ų31.23%0.03317%0.168CC..EExtended strand (participates in β ladder)trans-77.9131.9178.9179.374.7-145.700110.7F274 Y333 G360 N361 G362 L363 W368 I380 N395 A402 C403F274-E382 WeakPolarHBondContact CZ-O 3.26Å; Y333-E382 PolarHBondContact OH-OE2 2.85Å; G360-E382 WeakPolarHBondContact O-CA 3.4Å; N361-E382 WeakPolarHBondContact CA-OE1 3.15Å; G362-E382 PolarHBondContact N-OE1 2.95Å; G362-E382 PolarHBondContact N-OE2 2.98Å; L363-E382 VanDerWaalsContact CB-OE2 3.31Å; L363-E382 WeakPolarHBondContact CB-OE2 3.49Å; L363-E382 PolarHBondContact N-OE2 3.18Å; W368-E382 HydrophobicContact CH2-CB 3.44Å; W368-E382 VanDerWaalsContact CH2-CB 3.44Å; W368-E382 HydrophobicContact CH2-CG 3.73Å; W368-E382 HydrophobicContact CZ2-CB 4.28Å; W368-E382 HydrophobicContact CZ3-CB 4.17Å; W368-E382 HydrophobicContact CZ3-CG 4.01Å; I380-E382 HydrophobicContact CG2-CB 4.14Å; I380-E382 PolarHBondContact O-N 3.41Å; E382-N395 HydrophobicContact CB-CB 4.16Å; E382-N395 VanDerWaalsContact O-CB 3.27Å; E382-N395 WeakPolarHBondContact O-CB 3.3Å; E382-N395 PolarHBondContact O-N 2.86Å; E382-A402 WeakPolarHBondContact CG-O 3.37Å; E382-C403 HydrophobicContact CG-CB 4.49Å
383F94.6Very high91.7Very high24 Ų2429.6 Ų29.611%0.10516%0.16CC..EExtended strand (participates in β ladder)trans-133.9158.8173.869.5-90000111.4V270 F274 V296 L359 G360 N361 L393 C403V270-F383 HydrophobicContact CG1-CD1 4.31Å; V270-F383 HydrophobicContact CG1-CG 4.43Å; F274-F383 HydrophobicContact CE2-CB 4.47Å; V296-F383 HydrophobicContact CB-CZ 4.45Å; V296-F383 HydrophobicContact CG1-CE1 3.91Å; V296-F383 HydrophobicContact CG1-CZ 4.04Å; V296-F383 HydrophobicContact CG2-CE2 4.33Å; V296-F383 HydrophobicContact CG2-CZ 3.89Å; L359-F383 HydrophobicContact CD1-CD1 4.17Å; L359-F383 HydrophobicContact CD1-CE1 4.29Å; G360-F383 WeakPolarHBondContact O-CD1 3.49Å; G360-F383 WeakPolarHBondContact O-CE1 3.31Å; G360-F383 PolarHBondContact O-N 3.07Å; N361-F383 HydrophobicContact CB-CE2 4.36Å; N361-F383 HydrophobicContact CB-CZ 4.34Å; N361-F383 WeakPolarHBondContact CB-O 3.29Å; F383-L393 CarbonylContact C-O 3.45Å; F383-L393 VanDerWaalsContact CA-O 3.3Å; F383-L393 WeakPolarHBondContact CA-O 3.1Å; F383-L393 VanDerWaalsContact CB-O 3.31Å; F383-L393 WeakPolarHBondContact CB-O 3.47Å; F383-C403 CarbonylContact C-O 3.51Å
384Y93Very high91.7Very high15 Ų1521.7 Ų21.76%0.05913%0.128CC..EExtended strand (participates in β ladder)trans-117.6138.1174.2169.5-83.1000110.6S392 L393 C403 L447 S487 D489 L491 F501Y384-S392 CarbonylContact O-C 3.57Å; Y384-S392 VanDerWaalsContact O-CA 3.24Å; Y384-S392 WeakPolarHBondContact O-CA 3.32Å; Y384-L393 HydrophobicContact CD1-CD1 3.87Å; Y384-L393 HydrophobicContact CD1-CG 3.96Å; Y384-L393 HydrophobicContact CG-CD1 4.12Å; Y384-L393 HydrophobicContact CG-CG 4.47Å; Y384-L393 PolarHBondContact N-O 2.91Å; Y384-L393 PolarHBondContact O-N 2.9Å; Y384-C403 PolarHBondContact N-O 3.42Å; Y384-L447 HydrophobicContact CD1-CD2 3.9Å; Y384-L447 HydrophobicContact CE1-CD2 3.28Å; Y384-S487 VanDerWaalsContact OH-CB 3.25Å; Y384-S487 WeakPolarHBondContact OH-CB 3.3Å; Y384-D489 HydrophobicContact CE2-CB 4.22Å; Y384-D489 WeakPolarHBondContact CE2-OD2 3.26Å; Y384-D489 VanDerWaalsContact CZ-OD2 3.3Å; Y384-D489 WeakPolarHBondContact OH-CB 2.89Å; Y384-D489 PolarHBondContact OH-OD2 2.95Å; Y384-L491 HydrophobicContact CE2-CD1 4.39Å; Y384-F501 HydrophobicContact CD2-CD2 4.5Å; Y384-F501 HydrophobicContact CE2-CD2 4.23Å
385G88.9Confident91.7Very high27 Ų2719.9 Ų19.928%0.27812%0.121SC..  trans174168.7171.900000112.9
386A86.1Confident91.5Very high31 Ų3121.5 Ų21.526%0.25613%0.128SC..  trans-125.6159.3171.600000109.9E388 C389A386-E388 PolarHBondContact O-N 2.86Å; A386-E388 VanDerWaalsContact O-N 3.15Å; A386-C389 HydrophobicContact CB-CB 4.09Å; A386-C389 PolarHBondContact O-N 3.24Å; A386-C389 VanDerWaalsContact O-N 3.09Å
387T83.2Confident91.2Very high13 Ų1318 Ų188%0.0812%0.121CC..THydrogen-bonded Turntrans-53.5-36.7-177.9-61.60000112.7I244 A256 V258 R262 S291I244-T387 HydrophobicContact CB-CG2 3.72Å; I244-T387 HydrophobicContact CD1-CG2 4.22Å; I244-T387 HydrophobicContact CG2-CG2 3.72Å; A256-T387 HydrophobicContact CB-CG2 3.96Å; V258-T387 HydrophobicContact CG2-CG2 4.1Å; R262-T387 WeakPolarHBondContact CD-O 3.28Å; R262-T387 PolarHBondContact NH1-O 2.93Å; S291-T387 PolarHBondContact OG-OG1 3.46Å
388E83.7Confident91Very high12 Ų1219.9 Ų19.96%0.05613%0.13CC..THydrogen-bonded Turntrans-97-11.3-178.977.1-77.7-176.500114.5A256 A386 F460 Y463 Y485A256-E388 HydrophobicContact CB-CB 4.38Å; A386-E388 PolarHBondContact O-N 2.86Å; A386-E388 VanDerWaalsContact O-N 3.15Å; E388-F460 HydrophobicContact CB-CE2 3.96Å; E388-F460 HydrophobicContact CG-CE2 3.91Å; E388-F460 VanDerWaalsContact O-CD2 3.25Å; E388-F460 WeakPolarHBondContact O-CD2 3.25Å; E388-F460 WeakPolarHBondContact O-CE2 3.1Å; E388-Y463 HydrophobicContact CG-CE1 4.43Å; E388-Y463 HydrophobicContact CG-CE2 4.47Å; E388-Y463 WeakPolarHBondContact CG-OH 3.47Å; E388-Y463 PolarHBondContact OE1-OH 3.38Å; E388-Y485 HydrophobicContact CG-CE2 3.79Å; E388-Y485 PolarHBondContact OE1-OH 2.8Å
389C82.1Confident91Very high2 Ų220.4 Ų20.41%0.01412%0.124CC..  trans-64.5135.4-173-137.90000111.2R265 A386 C391 Y485R265-C389 PolarHBondContact NH2-O 2.64Å; A386-C389 HydrophobicContact CB-CB 4.09Å; A386-C389 PolarHBondContact O-N 3.24Å; A386-C389 VanDerWaalsContact O-N 3.09Å; C389-C391 HydrophobicContact CB-CB 4.43Å; C389-C391 WeakPolarHBondContact CB-O 3.32Å; C389-C391 WeakPolarHBondContact CB-SG 3.31Å; C389-C391 WeakPolarHBondContact SG-CB 3.36Å; C389-C391 PolarHBondContact SG-O 2.83Å; C389-C391 CovalentContact SG-SG 2.08Å; C389-C391 PolarHBondContact SG-SG 3.43Å; C389-Y485 HydrophobicContact CB-CE1 4.03Å; C389-Y485 WeakPolarHBondContact SG-CE1 3.18Å
390N85Confident90.8Very high6 Ų620 Ų203%0.03213%0.125CC..SBendtrans-84.70.2160.969.5-10.1000112.5Y414 G449 K450 R458 R459 Y485N390-Y414 PolarHBondContact O-OH 3.08Å; N390-G449 PolarHBondContact ND2-O 3.48Å; N390-K450 PolarHBondContact ND2-O 3.05Å; N390-K450 VanDerWaalsContact ND2-O 3.11Å; N390-R458 PolarHBondContact ND2-O 3.03Å; N390-R459 WeakPolarHBondContact CB-O 3.31Å; N390-Y485 WeakPolarHBondContact OD1-CB 3.37Å
391C83.8Confident90.4Very high0 Ų020.8 Ų20.80%013%0.133CC..  trans-110125.9-177.828.40000109.7C389 Y414 I416 L447 Y485C389-C391 HydrophobicContact CB-CB 4.43Å; C389-C391 WeakPolarHBondContact CB-O 3.32Å; C389-C391 WeakPolarHBondContact CB-SG 3.31Å; C389-C391 WeakPolarHBondContact SG-CB 3.36Å; C389-C391 PolarHBondContact SG-O 2.83Å; C389-C391 CovalentContact SG-SG 2.08Å; C389-C391 PolarHBondContact SG-SG 3.43Å; C391-Y414 VanDerWaalsContact CA-OH 3.3Å; C391-Y414 WeakPolarHBondContact CA-OH 3.34Å; C391-I416 HydrophobicContact CB-CG2 4.15Å; C391-L447 HydrophobicContact CB-CD2 4.43Å; C391-Y485 WeakPolarHBondContact SG-CD1 3.39Å; C391-Y485 WeakPolarHBondContact SG-CE1 3.28Å
392S89.1Confident90.3Very high19 Ų1920.9 Ų20.913%0.13313%0.133CC..  trans-147.5139.6175.2-45.80000108.5R265 Y384 Y414R265-S392 PolarHBondContact NH1-OG 3.12Å; Y384-S392 CarbonylContact O-C 3.57Å; Y384-S392 VanDerWaalsContact O-CA 3.24Å; Y384-S392 WeakPolarHBondContact O-CA 3.32Å; S392-Y414 PolarHBondContact N-OH 3.44Å; S392-Y414 VanDerWaalsContact O-CE1 3.26Å; S392-Y414 WeakPolarHBondContact O-CE1 3.4Å; S392-Y414 PolarHBondContact O-OH 3.49Å
393L92.9Very high90.2Very high4 Ų420.8 Ų20.82%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-119.6149.1179.3-43.9167.7000108.4F383 Y384 I416 L447 L491 M499F383-L393 CarbonylContact C-O 3.45Å; F383-L393 VanDerWaalsContact CA-O 3.3Å; F383-L393 WeakPolarHBondContact CA-O 3.1Å; F383-L393 VanDerWaalsContact CB-O 3.31Å; F383-L393 WeakPolarHBondContact CB-O 3.47Å; Y384-L393 HydrophobicContact CD1-CD1 3.87Å; Y384-L393 HydrophobicContact CD1-CG 3.96Å; Y384-L393 HydrophobicContact CG-CD1 4.12Å; Y384-L393 HydrophobicContact CG-CG 4.47Å; Y384-L393 PolarHBondContact N-O 2.91Å; Y384-L393 PolarHBondContact O-N 2.9Å; L393-I416 HydrophobicContact CD2-CD1 3.18Å; L393-L447 HydrophobicContact CD1-CD2 4.19Å; L393-L491 HydrophobicContact CD1-CD2 3.92Å; L393-M499 HydrophobicContact CD1-CB 3.95Å; L393-M499 HydrophobicContact CD1-CG 4.27Å; L393-M499 HydrophobicContact CD1-SD 3.36Å; L393-M499 WeakPolarHBondContact CD1-SD 3.38Å; L393-M499 HydrophobicContact CD2-SD 3.79Å; L393-M499 HydrophobicContact CG-SD 4.24Å
394G94.8Very high90.2Very high6 Ų619.7 Ų19.76%0.06213%0.129CC..EExtended strand (participates in β ladder)trans-131.613117400000110.7F396 G404 F405G394-F396 PolarHBondContact O-N 3.15Å; G394-G404 VanDerWaalsContact C-CA 3.49Å; G394-F405 WeakPolarHBondContact O-CD1 3.42Å
395N96.1Very high90.3Very high2 Ų220 Ų201%0.01113%0.13CC..  trans-82.963176.8-173.49000111E382 G397 N398 K399 A402E382-N395 HydrophobicContact CB-CB 4.16Å; E382-N395 VanDerWaalsContact O-CB 3.27Å; E382-N395 WeakPolarHBondContact O-CB 3.3Å; E382-N395 PolarHBondContact O-N 2.86Å; N395-G397 PolarHBondContact O-N 3.46Å; N395-G397 VanDerWaalsContact O-N 3.09Å; N395-N398 PolarHBondContact O-N 3.26Å; N395-N398 PolarHBondContact OD1-N 3.47Å; N395-K399 PolarHBondContact ND2-N 3.41Å; N395-K399 PolarHBondContact ND2-O 3.32Å; N395-K399 PolarHBondContact OD1-N 2.83Å; N395-A402 PolarHBondContact ND2-O 2.97Å
396F92.7Very high90.5Very high33 Ų3319.3 Ų19.315%0.14512%0.121CC..THydrogen-bonded Turntrans-64.3-17.5-175.1-53.9-35.3000113.7A55 L269 G273 F274 G394 F405A55-F396 HydrophobicContact CB-CD2 4.06Å; A55-F396 HydrophobicContact CB-CE2 4.16Å; L269-F396 HydrophobicContact CD1-CZ 4.38Å; G273-F396 VanDerWaalsContact CA-CE1 3.44Å; F274-F396 HydrophobicContact CD1-CD1 4.06Å; F274-F396 AromaticContact CE1-CD1 3.73Å; F274-F396 HydrophobicContact CE1-CD1 3.73Å; F274-F396 HydrophobicContact CE1-CE1 4.31Å; F274-F396 HydrophobicContact CE2-CD1 4.41Å; F274-F396 HydrophobicContact CE2-CE1 4.18Å; F274-F396 AromaticContact CZ-CD1 3.91Å; F274-F396 HydrophobicContact CZ-CD1 3.91Å; F274-F396 HydrophobicContact CZ-CE1 4.05Å; G394-F396 PolarHBondContact O-N 3.15Å; F396-F405 AromaticContact CD2-CE1 3.81Å; F396-F405 HydrophobicContact CD2-CE1 3.81Å; F396-F405 HydrophobicContact CE2-CE1 4.37Å
397G89.6Confident90.7Very high47 Ų4718.8 Ų18.849%0.48512%0.115SC..THydrogen-bonded Turntrans-89.51.4175.700000114.6N395 K399N395-G397 PolarHBondContact O-N 3.46Å; N395-G397 VanDerWaalsContact O-N 3.09Å; G397-K399 PolarHBondContact O-N 3.16Å
398N92.9Very high90.9Very high41 Ų4120.6 Ų20.622%0.21912%0.122CC..  trans53.437.5-176.5-164.136.5000112.9P378 I380 N395 V400P378-N398 PolarHBondContact O-ND2 3.27Å; I380-N398 PolarHBondContact N-OD1 3.37Å; I380-N398 PolarHBondContact O-OD1 2.84Å; N395-N398 PolarHBondContact O-N 3.26Å; N395-N398 PolarHBondContact OD1-N 3.47Å; N398-V400 PolarHBondContact O-N 3.46Å
399K95.9Very high91Very high95 Ų9521.7 Ų21.741%0.41313%0.128SC..  trans-73.7115179.7176.562.7177.51740109.4N395 G397 G401 A402 Y500N395-K399 PolarHBondContact ND2-N 3.41Å; N395-K399 PolarHBondContact ND2-O 3.32Å; N395-K399 PolarHBondContact OD1-N 2.83Å; G397-K399 PolarHBondContact O-N 3.16Å; K399-G401 PolarHBondContact O-N 2.9Å; K399-A402 HydrophobicContact CB-CB 3.96Å; K399-A402 HydrophobicContact CG-CB 3.9Å; K399-A402 WeakPolarHBondContact O-CB 3.46Å; K399-A402 PolarHBondContact O-N 3.31Å; K399-Y500 WeakPolarHBondContact CE-OH 3.31Å
400V93.6Very high90.8Very high37 Ų3725.2 Ų25.222%0.22415%0.146CC..THydrogen-bonded Turntrans-48.8128.9179.4175.40000111.6Q365 W368 E369 N398 A402Q365-V400 HydrophobicContact CG-CG1 4.09Å; W368-V400 HydrophobicContact CB-CG1 4.03Å; W368-V400 HydrophobicContact CD2-CG1 4.41Å; W368-V400 HydrophobicContact CG-CB 4.5Å; W368-V400 HydrophobicContact CG-CG1 3.95Å; W368-V400 HydrophobicContact CG-CG2 4.44Å; E369-V400 HydrophobicContact CG-CG1 4.29Å; E369-V400 HydrophobicContact CG-CG2 4.14Å; N398-V400 PolarHBondContact O-N 3.46Å; V400-A402 PolarHBondContact O-N 2.53Å
401G88.4Confident90.4Very high16 Ų1627.8 Ų27.817%0.16516%0.164CC..THydrogen-bonded Turntrans77.7-13.6178.500000115.7K399 Y500K399-G401 PolarHBondContact O-N 2.9Å; G401-Y500 WeakPolarHBondContact O-CD1 3.22Å
402A94.8Very high89.9Confident1 Ų135 Ų351%0.00820%0.195CC..  trans-79.4135.7177.600000110.9E382 N395 K399 V400 H498 M499 Y500E382-A402 WeakPolarHBondContact CG-O 3.37Å; N395-A402 PolarHBondContact ND2-O 2.97Å; K399-A402 HydrophobicContact CB-CB 3.96Å; K399-A402 HydrophobicContact CG-CB 3.9Å; K399-A402 WeakPolarHBondContact O-CB 3.46Å; K399-A402 PolarHBondContact O-N 3.31Å; V400-A402 PolarHBondContact O-N 2.53Å; A402-H498 HydrophobicContact CB-CB 4.07Å; A402-M499 CarbonylContact C-O 3.59Å; A402-M499 VanDerWaalsContact CA-O 3.3Å; A402-M499 WeakPolarHBondContact CA-O 3.49Å; A402-Y500 HydrophobicContact CB-CD1 4.2Å; A402-Y500 HydrophobicContact CB-CE1 3.85Å
403C93.1Very high89.2Confident6 Ų637.4 Ų37.44%0.04121%0.206CC..  trans-90.8-6.3174.268.40000113E382 F383 Y384 M499E382-C403 HydrophobicContact CG-CB 4.49Å; F383-C403 CarbonylContact C-O 3.51Å; Y384-C403 PolarHBondContact N-O 3.42Å; C403-M499 PolarHBondContact N-O 2.77Å; C403-M499 PolarHBondContact SG-O 3.18Å; C403-M499 VanDerWaalsContact SG-O 3.41Å
404G95.1Very high88.7Confident0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans160.5-155.1171.100000111.5G394 M499G394-G404 VanDerWaalsContact C-CA 3.49Å; G404-M499 PolarHBondContact O-N 3.45Å
405F94.8Very high88.1Confident21 Ų2140 Ų409%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-152.1162.3179.680.2-81.3000113R51 A55 G394 F396 G497R51-F405 HydrophobicContact CG-CD1 4.36Å; R51-F405 HydrophobicContact CG-CE1 3.88Å; R51-F405 HydrophobicContact CG-CE2 4.26Å; R51-F405 HydrophobicContact CG-CZ 3.8Å; R51-F405 VanDerWaalsContact CZ-CD2 3.41Å; A55-F405 HydrophobicContact CB-CE1 4.12Å; A55-F405 HydrophobicContact CB-CE2 4.46Å; A55-F405 HydrophobicContact CB-CZ 3.46Å; A55-F405 VanDerWaalsContact CB-CZ 3.46Å; G394-F405 WeakPolarHBondContact O-CD1 3.42Å; F396-F405 AromaticContact CD2-CE1 3.81Å; F396-F405 HydrophobicContact CD2-CE1 3.81Å; F396-F405 HydrophobicContact CE2-CE1 4.37Å; F405-G497 CarbonylContact C-O 3.58Å; F405-G497 WeakPolarHBondContact CA-O 3.3Å; F405-G497 VanDerWaalsContact CB-O 3.25Å; F405-G497 WeakPolarHBondContact CB-O 3.36Å
406N92.5Very high87.9Confident14 Ų1440.3 Ų40.38%0.07522%0.219CC..  trans-125.9129.9164.1-170.120.7000110.1Q408 I416 M493 G497 M499N406-Q408 PolarHBondContact O-N 3.27Å; N406-Q408 PolarHBondContact O-NE2 3.1Å; N406-I416 HydrophobicContact CB-CD1 4.1Å; N406-I416 HydrophobicContact CB-CG1 4.47Å; N406-I416 PolarHBondContact ND2-O 2.92Å; N406-M493 HydrophobicContact CB-SD 4.21Å; N406-G497 PolarHBondContact N-O 2.76Å; N406-G497 VanDerWaalsContact O-CA 3.3Å; N406-G497 WeakPolarHBondContact O-CA 3.43Å; N406-M499 HydrophobicContact CB-CE 3.5Å; N406-M499 VanDerWaalsContact CB-CE 3.5Å
407S90.3Very high87.8Confident19 Ų1943.7 Ų43.713%0.13323%0.231CC..  trans-58130.8-175.5-179.80000111.7D52 I409 L410 P411D52-S407 WeakPolarHBondContact OD1-CA 3.45Å; D52-S407 WeakPolarHBondContact OD1-CB 3.5Å; D52-S407 PolarHBondContact OD1-OG 3.48Å; S407-I409 PolarHBondContact OG-N 2.92Å; S407-I409 VanDerWaalsContact OG-N 3.16Å; S407-L410 PolarHBondContact OG-N 3.01Å; S407-P411 VanDerWaalsContact O-CA 3.26Å; S407-P411 WeakPolarHBondContact O-CA 3.19Å; S407-P411 WeakPolarHBondContact O-CB 3.31Å
408Q88.4Confident88Confident52 Ų5241.8 Ų41.824%0.24321%0.209CC..SBendtrans-90.2-12169.4-62-54.9-64.900112.3I44 N406 M493I44-Q408 HydrophobicContact CD1-CB 4.44Å; I44-Q408 HydrophobicContact CG2-CB 3.78Å; N406-Q408 PolarHBondContact O-N 3.27Å; N406-Q408 PolarHBondContact O-NE2 3.1Å; Q408-M493 PolarHBondContact NE2-SD 2.95Å
409I84.8Confident88.1Confident34 Ų3439.9 Ų39.917%0.17420%0.199CC..SBendtrans-80.7-47.4176.6-50.8179000109.8F41 I44 V45 I49 D52 S407F41-I409 HydrophobicContact CZ-CG2 4.42Å; I44-I409 HydrophobicContact CG2-CG1 4.38Å; V45-I409 HydrophobicContact CB-CD1 4.49Å; V45-I409 HydrophobicContact CG2-CD1 4.11Å; V45-I409 HydrophobicContact CG2-CG1 4.12Å; I49-I409 HydrophobicContact CB-CD1 4.43Å; I49-I409 HydrophobicContact CD1-CD1 3.87Å; D52-I409 HydrophobicContact CB-CD1 4.11Å; S407-I409 PolarHBondContact OG-N 2.92Å; S407-I409 VanDerWaalsContact OG-N 3.16Å
410L79.1Confident88Confident76 Ų7638.9 Ų38.940%0.39819%0.193SC..SBendtrans-132.264-177.3-61.8171.2000111.5S407 F412 I413S407-L410 PolarHBondContact OG-N 3.01Å; L410-F412 HydrophobicContact CB-CZ 4.33Å; L410-F412 HydrophobicContact CD2-CE1 4.2Å; L410-F412 HydrophobicContact CD2-CE2 4.16Å; L410-F412 HydrophobicContact CD2-CZ 3.5Å; L410-F412 VanDerWaalsContact CD2-CZ 3.5Å; L410-F412 PolarHBondContact O-N 2.89Å; L410-I413 HydrophobicContact CB-CD1 3.62Å; L410-I413 HydrophobicContact CB-CG1 4.03Å; L410-I413 HydrophobicContact CD1-CD1 3.62Å; L410-I413 HydrophobicContact CG-CD1 4.19Å; L410-I413 PolarHBondContact O-N 2.94Å
411P75.4Confident87.6Confident61 Ų6138 Ų3840%0.39619%0.187SC..THydrogen-bonded Turntrans-64.9-12.5-171.325.5-35.6000115S407S407-P411 VanDerWaalsContact O-CA 3.26Å; S407-P411 WeakPolarHBondContact O-CA 3.19Å; S407-P411 WeakPolarHBondContact O-CB 3.31Å
412F73.6Confident87.2Confident150 Ų15040 Ų4066%0.65819%0.194SC*.THydrogen-bonded Turntrans-89.5-14.5-17845.1-95.4000113.9L410 Y414L410-F412 HydrophobicContact CB-CZ 4.33Å; L410-F412 HydrophobicContact CD2-CE1 4.2Å; L410-F412 HydrophobicContact CD2-CE2 4.16Å; L410-F412 HydrophobicContact CD2-CZ 3.5Å; L410-F412 VanDerWaalsContact CD2-CZ 3.5Å; L410-F412 PolarHBondContact O-N 2.89Å; F412-Y414 VanDerWaalsContact C-N 3.33Å; F412-Y414 PolarHBondContact O-N 2.8Å
413I75.6Confident85.8Confident70 Ų7045.5 Ų45.536%0.35922%0.22SC..SBendtrans-64.4-41.5-179.1-71.8-179.6000110.8L59 L410 R458L59-I413 HydrophobicContact CD1-CG2 4.17Å; L410-I413 HydrophobicContact CB-CD1 3.62Å; L410-I413 HydrophobicContact CB-CG1 4.03Å; L410-I413 HydrophobicContact CD1-CD1 3.62Å; L410-I413 HydrophobicContact CG-CD1 4.19Å; L410-I413 PolarHBondContact O-N 2.94Å; I413-R458 PolarHBondContact O-NH2 3.05Å
414Y81.7Confident84.1Confident38 Ų3850.9 Ų50.915%0.14924%0.244CC..SBendtrans-116.7100.1176.5-166.1-132.7000108.8N390 C391 S392 F412 I416N390-Y414 PolarHBondContact O-OH 3.08Å; C391-Y414 VanDerWaalsContact CA-OH 3.3Å; C391-Y414 WeakPolarHBondContact CA-OH 3.34Å; S392-Y414 PolarHBondContact N-OH 3.44Å; S392-Y414 VanDerWaalsContact O-CE1 3.26Å; S392-Y414 WeakPolarHBondContact O-CE1 3.4Å; S392-Y414 PolarHBondContact O-OH 3.49Å; F412-Y414 VanDerWaalsContact C-N 3.33Å; F412-Y414 PolarHBondContact O-N 2.8Å; Y414-I416 HydrophobicContact CD1-CB 4.4Å; Y414-I416 HydrophobicContact CD1-CD1 3.57Å; Y414-I416 HydrophobicContact CD1-CG1 3.56Å; Y414-I416 HydrophobicContact CD1-CG2 3.97Å; Y414-I416 HydrophobicContact CE1-CB 4.4Å; Y414-I416 HydrophobicContact CE1-CD1 3.64Å; Y414-I416 HydrophobicContact CE1-CG1 3.9Å; Y414-I416 HydrophobicContact CE1-CG2 3.61Å; Y414-I416 HydrophobicContact CE2-CG2 4.46Å; Y414-I416 HydrophobicContact CG-CG1 4.34Å; Y414-I416 PolarHBondContact O-N 3.5Å
415P82.4Confident82.8Confident28 Ų2854.9 Ų54.918%0.18227%0.269CS..  trans-79.361.2-167.334.4-37.8000111.8K450 F478P415-K450 HydrophobicContact CB-CB 3.98Å; P415-K450 HydrophobicContact CB-CD 4.4Å; P415-K450 HydrophobicContact CG-CB 4.11Å; P415-K450 PolarHBondContact O-N 3.02Å; P415-F478 WeakPolarHBondContact O-CZ 3.38Å
416I90.8Very high81.6Confident7 Ų755.3 Ų55.34%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-108.8153.716959.4160.5000109.2C391 L393 N406 Y414 L447 V448 M499C391-I416 HydrophobicContact CB-CG2 4.15Å; L393-I416 HydrophobicContact CD2-CD1 3.18Å; N406-I416 HydrophobicContact CB-CD1 4.1Å; N406-I416 HydrophobicContact CB-CG1 4.47Å; N406-I416 PolarHBondContact ND2-O 2.92Å; Y414-I416 HydrophobicContact CD1-CB 4.4Å; Y414-I416 HydrophobicContact CD1-CD1 3.57Å; Y414-I416 HydrophobicContact CD1-CG1 3.56Å; Y414-I416 HydrophobicContact CD1-CG2 3.97Å; Y414-I416 HydrophobicContact CE1-CB 4.4Å; Y414-I416 HydrophobicContact CE1-CD1 3.64Å; Y414-I416 HydrophobicContact CE1-CG1 3.9Å; Y414-I416 HydrophobicContact CE1-CG2 3.61Å; Y414-I416 HydrophobicContact CE2-CG2 4.46Å; Y414-I416 HydrophobicContact CG-CG1 4.34Å; Y414-I416 PolarHBondContact O-N 3.5Å; I416-L447 HydrophobicContact CB-CD1 4.3Å; I416-L447 HydrophobicContact CD1-CD1 4.37Å; I416-V448 VanDerWaalsContact CA-O 3.27Å; I416-V448 WeakPolarHBondContact CA-O 3.43Å; I416-M499 HydrophobicContact CD1-CE 4.37Å
417R90.6Very high81.1Confident105 Ų10561.2 Ų61.240%0.39630%0.299SS..EExtended strand (participates in β ladder)trans-157.9153.1-178.2-177.9173.4-77.4-171.94.3110.7V419 P438 V448 F478R417-V419 HydrophobicContact CG-CG1 4.39Å; R417-P438 HydrophobicContact CG-CB 4.46Å; R417-V448 HydrophobicContact CB-CG2 4.39Å; R417-V448 PolarHBondContact N-O 3.02Å; R417-V448 VanDerWaalsContact O-CG2 3.32Å; R417-V448 WeakPolarHBondContact O-CG2 3.34Å; R417-V448 PolarHBondContact O-N 2.84Å; R417-F478 HydrophobicContact CB-CD1 4.41Å; R417-F478 HydrophobicContact CB-CE1 3.61Å; R417-F478 HydrophobicContact CB-CZ 4.33Å
418L94.5Very high81.2Confident7 Ų761.8 Ų61.84%0.03730%0.3CS..EExtended strand (participates in β ladder)trans-89.3123.6163.1-58.6-173.4000108.6C439 Q446 L447 L491 M493 M499L418-C439 HydrophobicContact CB-CB 3.92Å; L418-C439 PolarHBondContact O-N 3.32Å; L418-Q446 WeakPolarHBondContact CA-O 3.36Å; L418-L447 HydrophobicContact CD2-CB 3.88Å; L418-L447 HydrophobicContact CD2-CD1 3.81Å; L418-L447 HydrophobicContact CD2-CG 4.46Å; L418-L491 HydrophobicContact CD1-CB 4.25Å; L418-L491 HydrophobicContact CD2-CB 3.88Å; L418-M493 HydrophobicContact CD1-CB 3.67Å; L418-M499 HydrophobicContact CD2-CE 4.44Å; L418-M499 HydrophobicContact CG-CE 4.26Å
419V94.9Very high81.3Confident0 Ų062.4 Ų62.40%030%0.304CS..EExtended strand (participates in β ladder)trans-110.3143.9175-68.50000109.5R417 L428 C436 I437 G445 Q446 V448 V477R417-V419 HydrophobicContact CG-CG1 4.39Å; V419-L428 HydrophobicContact CG2-CD2 3.57Å; V419-C436 HydrophobicContact CB-CB 4.05Å; V419-C436 HydrophobicContact CG1-CB 3.8Å; V419-I437 WeakPolarHBondContact CA-O 3.25Å; V419-G445 CarbonylContact O-C 3.53Å; V419-G445 WeakPolarHBondContact O-CA 3.28Å; V419-Q446 HydrophobicContact CG2-CB 4.47Å; V419-Q446 PolarHBondContact N-O 3.47Å; V419-Q446 PolarHBondContact O-N 2.93Å; V419-V448 HydrophobicContact CB-CG2 4.44Å; V419-V448 HydrophobicContact CG1-CG2 3.73Å; V419-V448 HydrophobicContact CG2-CB 4.43Å; V419-V448 HydrophobicContact CG2-CG1 3.65Å; V419-V448 HydrophobicContact CG2-CG2 3.87Å; V419-V477 HydrophobicContact CG1-CG1 4.17Å
420R92.8Very high81.8Confident75 Ų7565.4 Ų65.428%0.28331%0.313SS..  trans-65140.3-179.8-68.3-176176.2-175.1-5.2110I429 I437 C439 E443R420-I429 HydrophobicContact CB-CB 4.11Å; R420-I429 HydrophobicContact CB-CD1 4.21Å; R420-I429 HydrophobicContact CB-CG1 4.46Å; R420-I429 PolarHBondContact O-N 2.84Å; R420-I437 HydrophobicContact CG-CG2 4.43Å; R420-I437 PolarHBondContact N-O 2.78Å; R420-C439 PolarHBondContact N-SG 2.67Å; R420-E443 IonicContact CZ-OE1 2.73Å; R420-E443 IonicContact CZ-OE2 2.83Å; R420-E443 VanDerWaalsContact CZ-OE2 3.32Å; R420-E443 IonicContact NE-OE2 3.48Å; R420-E443 PolarHBondContact NE-OE2 2.79Å; R420-E443 IonicContact NH2-OE1 3.15Å; R420-E443 PolarHBondContact NH2-OE1 3.48Å; R420-E443 IonicContact NH2-OE2 3.63Å; R420-E443 PolarHBondContact NH2-OE2 3.23Å
421V87.2Confident82.5Confident18 Ų1862.5 Ų62.511%0.10930%0.302CS..BIsolated β-bridgetrans-119.8147.2173.5-68.80000109.2E427 L428 I429 Q446V421-E427 CarbonylContact C-O 3.54Å; V421-E427 WeakPolarHBondContact CA-O 3.35Å; V421-L428 HydrophobicContact CG1-CD2 4.16Å; V421-I429 WeakPolarHBondContact O-CD1 3.28Å; V421-Q446 HydrophobicContact CG1-CB 3.58Å
422D79.2Confident83.3Confident59 Ų5966.9 Ų66.932%0.31633%0.33SS..  trans-64.9133.6169.1179.7-93.6000109E424 T425 M426 E427 I429D422-E424 VanDerWaalsContact C-N 3.28Å; D422-E424 PolarHBondContact O-N 2.95Å; D422-E424 PolarHBondContact OD1-N 3.28Å; D422-E424 VanDerWaalsContact OD1-N 3.08Å; D422-T425 VanDerWaalsContact CB-OG1 3.26Å; D422-T425 WeakPolarHBondContact CB-OG1 3.43Å; D422-T425 VanDerWaalsContact CG-OG1 3.23Å; D422-T425 WeakPolarHBondContact OD1-CB 3.36Å; D422-T425 PolarHBondContact OD1-N 2.92Å; D422-T425 PolarHBondContact OD1-OG1 2.81Å; D422-M426 WeakPolarHBondContact O-CA 3.32Å; D422-M426 PolarHBondContact O-N 3.24Å; D422-E427 PolarHBondContact N-O 2.83Å; D422-I429 HydrophobicContact CB-CG1 4.29Å
423E65.2Low84.2Confident116 Ų11664.6 Ų64.654%0.54233%0.325SS..THydrogen-bonded Turntrans-74.7-19.7-169.5-56.7-170.4155.700113.2N515E423-N515 VanDerWaalsContact CB-ND2 3.3Å; E423-N515 WeakPolarHBondContact CB-ND2 3.42Å; E423-N515 PolarHBondContact OE2-ND2 3.43Å
424E56.6Low84.9Confident119 Ų11962.9 Ų62.956%0.55632%0.324SS*.THydrogen-bonded Turntrans-96.7-52-179.3-61.6-163.9127.800112.2D422 R510D422-E424 VanDerWaalsContact C-N 3.28Å; D422-E424 PolarHBondContact O-N 2.95Å; D422-E424 PolarHBondContact OD1-N 3.28Å; D422-E424 VanDerWaalsContact OD1-N 3.08Å; E424-R510 VanDerWaalsContact CD-NH1 3.29Å; E424-R510 IonicContact OE1-CZ 2.73Å; E424-R510 IonicContact OE1-NH1 3.66Å; E424-R510 PolarHBondContact OE1-NH1 2.85Å
425T69.2Low85.6Confident84 Ų8461.8 Ų61.852%0.51532%0.322SS..THydrogen-bonded Turntrans-85.9-19.6-17562.70000112.2D422 E427D422-T425 VanDerWaalsContact CB-OG1 3.26Å; D422-T425 WeakPolarHBondContact CB-OG1 3.43Å; D422-T425 VanDerWaalsContact CG-OG1 3.23Å; D422-T425 WeakPolarHBondContact OD1-CB 3.36Å; D422-T425 PolarHBondContact OD1-N 2.92Å; D422-T425 PolarHBondContact OD1-OG1 2.81Å; T425-E427 PolarHBondContact O-N 3.3Å; T425-E427 PolarHBondContact OG1-N 3.5Å
426M69.1Low86.2Confident30 Ų3060.7 Ų60.715%0.14832%0.315CS..  trans60.318.8-172.4-51.6-65-88.300114D422 V490 T505D422-M426 WeakPolarHBondContact O-CA 3.32Å; D422-M426 PolarHBondContact O-N 3.24Å; M426-V490 HydrophobicContact CE-CG2 3.78Å; M426-T505 HydrophobicContact CB-CG2 3.35Å; M426-T505 HydrophobicContact CE-CG2 3.99Å; M426-T505 HydrophobicContact CG-CG2 3.9Å
427E82.7Confident86.4Confident138 Ų13862.7 Ų62.765%0.64533%0.325SS*.PPolyproline II helixtrans-75.6154.8174.1-67.4-169.2164.700111.8V421 D422 T425 I429V421-E427 CarbonylContact C-O 3.54Å; V421-E427 WeakPolarHBondContact CA-O 3.35Å; D422-E427 PolarHBondContact N-O 2.83Å; T425-E427 PolarHBondContact O-N 3.3Å; T425-E427 PolarHBondContact OG1-N 3.5Å; E427-I429 PolarHBondContact O-N 3.5Å
428L90.6Very high86.5Confident31 Ų3160.7 Ų60.716%0.16233%0.326CS..BIsolated β-bridgetrans-71.2124.1179.4-61.6174.6000110.9V419 V421 Q446 A474 V477 L486V419-L428 HydrophobicContact CG2-CD2 3.57Å; V421-L428 HydrophobicContact CG1-CD2 4.16Å; L428-Q446 VanDerWaalsContact CD2-OE1 3.25Å; L428-A474 HydrophobicContact CD1-CB 3.58Å; L428-V477 HydrophobicContact CD1-CG2 4.49Å; L428-L486 HydrophobicContact CD1-CD2 3.76Å; L428-L486 HydrophobicContact CD2-CD2 4.11Å; L428-L486 HydrophobicContact CG-CD2 4.32Å
429I92.4Very high86.5Confident64 Ų6461.2 Ų61.233%0.32833%0.33SS..PPolyproline II helixtrans-78.2127.1175.5-57.5179.5000109.6R420 V421 D422 E427 C436 I437R420-I429 HydrophobicContact CB-CB 4.11Å; R420-I429 HydrophobicContact CB-CD1 4.21Å; R420-I429 HydrophobicContact CB-CG1 4.46Å; R420-I429 PolarHBondContact O-N 2.84Å; V421-I429 WeakPolarHBondContact O-CD1 3.28Å; D422-I429 HydrophobicContact CB-CG1 4.29Å; E427-I429 PolarHBondContact O-N 3.5Å; I429-C436 WeakPolarHBondContact O-CA 3.42Å; I429-I437 HydrophobicContact CG2-CD1 3.84Å; I429-I437 HydrophobicContact CG2-CG1 4.42Å; I429-I437 PolarHBondContact O-N 2.96Å
430R94.6Very high86.4Confident97 Ų9767.6 Ų67.637%0.36636%0.358SS..BIsolated β-bridgetrans-111.6145.9-178.6-64175.1-179.2-82.3-2.9111.5G434 V435 S475 S476R430-G434 PolarHBondContact NH1-O 3.12Å; R430-V435 CarbonylContact C-O 3.5Å; R430-V435 VanDerWaalsContact CA-O 3.28Å; R430-V435 WeakPolarHBondContact CA-O 3.19Å; R430-S475 PolarHBondContact NH1-O 3.39Å; R430-S475 VanDerWaalsContact NH1-O 3.12Å; R430-S475 PolarHBondContact NH2-O 2.88Å; R430-S476 PolarHBondContact NH1-O 2.83Å
431G93.3Very high86.3Confident16 Ų1667.5 Ų67.517%0.16537%0.367CS..  trans-79.3177172.600000112.3D433 G434 V435G431-D433 PolarHBondContact O-N 3.47Å; G431-D433 VanDerWaalsContact O-N 3.11Å; G431-G434 PolarHBondContact O-N 3.42Å; G431-V435 PolarHBondContact N-O 3.46Å
432P92.3Very high86.5Confident152 Ų15268.9 Ų68.999%0.98738%0.384SS*.THydrogen-bonded Turntrans-59.2-21.5177.9-24.634.6000114.6G434P432-G434 VanDerWaalsContact C-N 3.26Å
433D91.7Very high87Confident103 Ų10368.4 Ų68.455%0.55138%0.38SS*.THydrogen-bonded Turntrans-80.7-4.3175.664.5-8.8000113.6G431 V435G431-D433 PolarHBondContact O-N 3.47Å; G431-D433 VanDerWaalsContact O-N 3.11Å; D433-V435 VanDerWaalsContact C-N 3.33Å; D433-V435 PolarHBondContact OD1-N 3.49Å
434G92.1Very high88.1Confident33 Ų3365 Ų6534%0.3437%0.368SS..SBendtrans80.67-177.300000114.5R430 G431 P432R430-G434 PolarHBondContact NH1-O 3.12Å; G431-G434 PolarHBondContact O-N 3.42Å; P432-G434 VanDerWaalsContact C-N 3.26Å
435V95.4Very high89.8Confident16 Ų1659.4 Ų59.410%0.09734%0.342CS..SBendtrans-98.6149.4179.4-1760000110.4R430 G431 D433 S476 V477R430-V435 CarbonylContact C-O 3.5Å; R430-V435 VanDerWaalsContact CA-O 3.28Å; R430-V435 WeakPolarHBondContact CA-O 3.19Å; G431-V435 PolarHBondContact N-O 3.46Å; D433-V435 VanDerWaalsContact C-N 3.33Å; D433-V435 PolarHBondContact OD1-N 3.49Å; V435-S476 WeakPolarHBondContact CA-O 3.23Å; V435-V477 WeakPolarHBondContact CG1-O 3.41Å
436C95.4Very high90.9Very high5 Ų556 Ų563%0.03432%0.32CS..BIsolated β-bridgetrans-64.3138.4-179.6-63.90000112.6V419 I429 V477V419-C436 HydrophobicContact CB-CB 4.05Å; V419-C436 HydrophobicContact CG1-CB 3.8Å; I429-C436 WeakPolarHBondContact O-CA 3.42Å; C436-V477 HydrophobicContact CB-CG1 4.14Å; C436-V477 PolarHBondContact N-O 3.46Å
437I94.9Very high92.1Very high49 Ų4954.5 Ų54.525%0.25131%0.313SS..PPolyproline II helixtrans-78.8124.8-179.5-55.4-177.8000109.6V419 R420 I429V419-I437 WeakPolarHBondContact CA-O 3.25Å; R420-I437 HydrophobicContact CG-CG2 4.43Å; R420-I437 PolarHBondContact N-O 2.78Å; I429-I437 HydrophobicContact CG2-CD1 3.84Å; I429-I437 HydrophobicContact CG2-CG1 4.42Å; I429-I437 PolarHBondContact O-N 2.96Å
438P93.6Very high92.7Very high63 Ų6348 Ų4841%0.40928%0.282SS..BIsolated β-bridgetrans-68.3144.9174.827.7-34000112.1R417R417-P438 HydrophobicContact CG-CB 4.46Å
439C93.7Very high92.9Very high18 Ų1846.5 Ų46.512%0.12228%0.275CS..PPolyproline II helixtrans-72.8145.5170-61.80000111.7L418 R420 E443 P444 G445L418-C439 HydrophobicContact CB-CB 3.92Å; L418-C439 PolarHBondContact O-N 3.32Å; R420-C439 PolarHBondContact N-SG 2.67Å; C439-E443 HydrophobicContact CB-CB 4.02Å; C439-P444 PolarHBondContact SG-O 3.44Å; C439-G445 VanDerWaalsContact SG-CA 3.53Å
440K92Very high93Very high134 Ų13445.9 Ų45.958%0.58327%0.27SS*.PPolyproline II helixtrans-82.9163.6165.7-59.9179.4-174.71710110.4G442 E443K440-G442 PolarHBondContact O-N 3.13Å; K440-E443 HydrophobicContact CB-CG 4.11Å; K440-E443 PolarHBondContact N-OE2 3.21Å; K440-E443 WeakPolarHBondContact O-CB 3.28Å; K440-E443 PolarHBondContact O-N 2.94Å
441P91.6Very high93Very high73 Ų7342.1 Ų42.147%0.47426%0.257SS..THydrogen-bonded Turntrans-52.7132.9172.7-27.736.2000112.2E443 M493 K495P441-E443 VanDerWaalsContact C-N 3.28Å; P441-E443 PolarHBondContact O-N 2.74Å; P441-M493 CarbonylContact C-O 3.52Å; P441-M493 VanDerWaalsContact CA-O 3.26Å; P441-M493 WeakPolarHBondContact CA-O 3.26Å; P441-K495 HydrophobicContact CB-CB 4.26Å
442G90.4Very high92.8Very high46 Ų4644.3 Ų44.347%0.47426%0.264SS..THydrogen-bonded Turntrans85.8-17.5-176.500000115K440 M493K440-G442 PolarHBondContact O-N 3.13Å; G442-M493 PolarHBondContact N-O 3.02Å
443E91Very high92.6Very high49 Ų4941.4 Ų41.423%0.22924%0.237CC..  trans-77.8134.3177.5-65.4178.2178.100110.6R420 C439 K440 P441R420-E443 IonicContact CZ-OE1 2.73Å; R420-E443 IonicContact CZ-OE2 2.83Å; R420-E443 VanDerWaalsContact CZ-OE2 3.32Å; R420-E443 IonicContact NE-OE2 3.48Å; R420-E443 PolarHBondContact NE-OE2 2.79Å; R420-E443 IonicContact NH2-OE1 3.15Å; R420-E443 PolarHBondContact NH2-OE1 3.48Å; R420-E443 IonicContact NH2-OE2 3.63Å; R420-E443 PolarHBondContact NH2-OE2 3.23Å; C439-E443 HydrophobicContact CB-CB 4.02Å; K440-E443 HydrophobicContact CB-CG 4.11Å; K440-E443 PolarHBondContact N-OE2 3.21Å; K440-E443 WeakPolarHBondContact O-CB 3.28Å; K440-E443 PolarHBondContact O-N 2.94Å; P441-E443 VanDerWaalsContact C-N 3.28Å; P441-E443 PolarHBondContact O-N 2.74Å
444P88.4Confident92.3Very high46 Ų4644.2 Ų44.230%0.29925%0.252SS..EExtended strand (participates in β ladder)trans-68.1145171.329.9-33.8000110.5C439 V490 L491 I492 K502C439-P444 PolarHBondContact SG-O 3.44Å; P444-V490 HydrophobicContact CB-CG1 3.83Å; P444-L491 WeakPolarHBondContact CA-O 3.26Å; P444-I492 HydrophobicContact CB-CG1 4.12Å; P444-K502 HydrophobicContact CB-CD 4.15Å
445G91.8Very high92.1Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-165.1160.4174.700000112.8V419 C439 V490 L491V419-G445 CarbonylContact O-C 3.53Å; V419-G445 WeakPolarHBondContact O-CA 3.28Å; C439-G445 VanDerWaalsContact SG-CA 3.53Å; G445-V490 WeakPolarHBondContact O-CA 3.26Å; G445-L491 PolarHBondContact N-O 3.39Å; G445-L491 PolarHBondContact O-N 2.82Å
446Q93.1Very high91.6Very high12 Ų1245 Ų456%0.05625%0.25CC..EExtended strand (participates in β ladder)trans-76134.4176.6-170.5179.622.900110.2L418 V419 V421 L428 V448 G488 D489L418-Q446 WeakPolarHBondContact CA-O 3.36Å; V419-Q446 HydrophobicContact CG2-CB 4.47Å; V419-Q446 PolarHBondContact N-O 3.47Å; V419-Q446 PolarHBondContact O-N 2.93Å; V421-Q446 HydrophobicContact CG1-CB 3.58Å; L428-Q446 VanDerWaalsContact CD2-OE1 3.25Å; Q446-V448 PolarHBondContact O-N 3.33Å; Q446-G488 VanDerWaalsContact NE2-CA 3.31Å; Q446-G488 VanDerWaalsContact NE2-N 3.13Å; Q446-D489 WeakPolarHBondContact CA-O 3.3Å
447L94.1Very high91.1Very high0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-75.4125.4173.6-177.970000110.8Y384 C391 L393 I416 L418 S487 D489 L491 M499Y384-L447 HydrophobicContact CD1-CD2 3.9Å; Y384-L447 HydrophobicContact CE1-CD2 3.28Å; C391-L447 HydrophobicContact CB-CD2 4.43Å; L393-L447 HydrophobicContact CD1-CD2 4.19Å; I416-L447 HydrophobicContact CB-CD1 4.3Å; I416-L447 HydrophobicContact CD1-CD1 4.37Å; L418-L447 HydrophobicContact CD2-CB 3.88Å; L418-L447 HydrophobicContact CD2-CD1 3.81Å; L418-L447 HydrophobicContact CD2-CG 4.46Å; L447-S487 VanDerWaalsContact O-CB 3.31Å; L447-S487 WeakPolarHBondContact O-CB 3.43Å; L447-S487 PolarHBondContact O-N 2.9Å; L447-S487 PolarHBondContact O-OG 2.91Å; L447-D489 PolarHBondContact N-O 2.89Å; L447-D489 VanDerWaalsContact N-O 3.1Å; L447-L491 HydrophobicContact CB-CD1 3.96Å; L447-L491 HydrophobicContact CD2-CD2 4.3Å; L447-M499 HydrophobicContact CD1-CE 4.36Å; L447-M499 HydrophobicContact CD1-SD 4.28Å
448V94.6Very high90.7Very high0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-124.3144.1176.5-64.80000111.4I416 R417 V419 Q446 V477 F478 A484 Y485 L486I416-V448 VanDerWaalsContact CA-O 3.27Å; I416-V448 WeakPolarHBondContact CA-O 3.43Å; R417-V448 HydrophobicContact CB-CG2 4.39Å; R417-V448 PolarHBondContact N-O 3.02Å; R417-V448 VanDerWaalsContact O-CG2 3.32Å; R417-V448 WeakPolarHBondContact O-CG2 3.34Å; R417-V448 PolarHBondContact O-N 2.84Å; V419-V448 HydrophobicContact CB-CG2 4.44Å; V419-V448 HydrophobicContact CG1-CG2 3.73Å; V419-V448 HydrophobicContact CG2-CB 4.43Å; V419-V448 HydrophobicContact CG2-CG1 3.65Å; V419-V448 HydrophobicContact CG2-CG2 3.87Å; Q446-V448 PolarHBondContact O-N 3.33Å; V448-V477 HydrophobicContact CB-CG1 4.31Å; V448-V477 HydrophobicContact CG2-CG1 3.79Å; V448-F478 HydrophobicContact CG2-CE2 4.41Å; V448-F478 HydrophobicContact CG2-CZ 3.95Å; V448-A484 HydrophobicContact CB-CB 4.3Å; V448-Y485 VanDerWaalsContact CA-O 3.3Å; V448-Y485 WeakPolarHBondContact CA-O 3.25Å; V448-L486 HydrophobicContact CG1-CD2 3.79Å
449G93.9Very high90.5Very high1 Ų146.9 Ų46.91%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-122.2124.3178.500000111.3N390 I451 A484 Y485N390-G449 PolarHBondContact ND2-O 3.48Å; G449-I451 PolarHBondContact O-N 3.31Å; G449-A484 CarbonylContact O-C 3.56Å; G449-A484 WeakPolarHBondContact O-CA 3.28Å; G449-Y485 PolarHBondContact N-O 2.9Å; G449-Y485 VanDerWaalsContact N-O 3.13Å; G449-Y485 PolarHBondContact O-N 3.23Å
450K94.3Very high90.4Very high51 Ų5146.3 Ų46.322%0.22224%0.242CC..EExtended strand (participates in β ladder)trans-61.1128.7179.9-172.4174.2-178.5175.40111.5N390 P415 I452 F478N390-K450 PolarHBondContact ND2-O 3.05Å; N390-K450 VanDerWaalsContact ND2-O 3.11Å; P415-K450 HydrophobicContact CB-CB 3.98Å; P415-K450 HydrophobicContact CB-CD 4.4Å; P415-K450 HydrophobicContact CG-CB 4.11Å; P415-K450 PolarHBondContact O-N 3.02Å; K450-I452 HydrophobicContact CG-CG1 4.32Å; K450-F478 HydrophobicContact CB-CD2 4.04Å; K450-F478 HydrophobicContact CB-CE2 3.6Å; K450-F478 HydrophobicContact CB-CZ 4.04Å; K450-F478 HydrophobicContact CD-CD2 4.48Å; K450-F478 HydrophobicContact CG-CD2 4.24Å; K450-F478 HydrophobicContact CG-CE2 4.26Å
451I94.5Very high90.4Very high18 Ų1841 Ų419%0.09222%0.22CC..  trans-85.5124.7176.9-62.4170.7000109G449 Q453 F460 I473 S483G449-I451 PolarHBondContact O-N 3.31Å; I451-Q453 HydrophobicContact CG2-CG 4.18Å; I451-F460 HydrophobicContact CD1-CB 4.02Å; I451-F460 HydrophobicContact CD1-CD1 4.03Å; I451-F460 HydrophobicContact CD1-CG 4.34Å; I451-F460 HydrophobicContact CG1-CB 3.98Å; I451-F460 HydrophobicContact CG2-CB 4.26Å; I451-I473 HydrophobicContact CD1-CD1 4.36Å; I451-I473 HydrophobicContact CD1-CG1 3.92Å; I451-I473 HydrophobicContact CD1-CG2 4.16Å; I451-S483 PolarHBondContact N-O 2.95Å
452I90.9Very high90.4Very high62 Ų6237.6 Ų37.632%0.31820%0.198SC..  trans-130.499.5170.7-53.4-175.4000107.2K450 N454 D455 R458 R459K450-I452 HydrophobicContact CG-CG1 4.32Å; I452-N454 VanDerWaalsContact C-N 3.26Å; I452-N454 PolarHBondContact O-N 3.25Å; I452-D455 HydrophobicContact CB-CB 4.07Å; I452-D455 HydrophobicContact CG2-CB 3.81Å; I452-D455 PolarHBondContact O-N 3.31Å; I452-R458 HydrophobicContact CB-CB 3.99Å; I452-R458 HydrophobicContact CG1-CB 4.29Å; I452-R458 PolarHBondContact N-O 3.4Å; I452-R459 PolarHBondContact O-N 3.47Å
453Q87.2Confident90.5Very high90 Ų9036 Ų3642%0.42118%0.178SC..THydrogen-bonded Turntrans-61.6-32.6-170.6-69.7-62.6-6.800113.4I451 D455 R459 F460I451-Q453 HydrophobicContact CG2-CG 4.18Å; Q453-D455 VanDerWaalsContact C-N 3.26Å; Q453-D455 PolarHBondContact O-N 3.22Å; Q453-R459 WeakPolarHBondContact O-CD 3.48Å; Q453-F460 PolarHBondContact NE2-O 3.37Å
454N86.1Confident90.5Very high163 Ų16336.2 Ų36.287%0.87218%0.182SC*.THydrogen-bonded Turntrans-84.24.9180-62-17000113.7I452I452-N454 VanDerWaalsContact C-N 3.26Å; I452-N454 PolarHBondContact O-N 3.25Å
455D87.6Confident90.4Very high36 Ų3637.4 Ų37.419%0.19319%0.186CC..  trans-118.3108.5179.1-177.4-9.2000110.3I452 Q453 L457 R458 R459I452-D455 HydrophobicContact CB-CB 4.07Å; I452-D455 HydrophobicContact CG2-CB 3.81Å; I452-D455 PolarHBondContact O-N 3.31Å; Q453-D455 VanDerWaalsContact C-N 3.26Å; Q453-D455 PolarHBondContact O-N 3.22Å; D455-L457 PolarHBondContact O-N 3.31Å; D455-L457 WeakPolarHBondContact OD1-CB 3.4Å; D455-L457 PolarHBondContact OD1-N 3.3Å; D455-R458 HydrophobicContact CB-CB 4.2Å; D455-R458 CarbonylContact O-C 3.59Å; D455-R458 PolarHBondContact O-N 3.32Å; D455-R458 VanDerWaalsContact OD2-CD 3.28Å; D455-R458 WeakPolarHBondContact OD2-CD 3.17Å; D455-R458 IonicContact OD2-CZ 2.86Å; D455-R458 IonicContact OD2-NE 3.13Å; D455-R458 IonicContact OD2-NH1 3.14Å; D455-R458 PolarHBondContact OD2-NH1 3.31Å; D455-R459 WeakPolarHBondContact O-CB 3.21Å; D455-R459 PolarHBondContact O-N 3.05Å
456P84.7Confident90.3Very high29 Ų2945 Ų4519%0.18822%0.221CC..THydrogen-bonded Turntrans-57-19.5179.8-27.336000115.1V66 V70 T238V66-P456 HydrophobicContact CG1-CB 4.07Å; V70-P456 HydrophobicContact CG2-CG 3.9Å; T238-P456 HydrophobicContact CG2-CB 4.35Å; T238-P456 HydrophobicContact CG2-CG 3.91Å
457L84.5Confident90Very high27 Ų2748.7 Ų48.714%0.14125%0.245CC..THydrogen-bonded Turntrans-81.4-17.8175.2-64175.2000113.4V62 K63 V66 R265 D455V62-L457 HydrophobicContact CG1-CD2 4.23Å; K63-L457 HydrophobicContact CB-CD1 3.93Å; K63-L457 HydrophobicContact CG-CD1 3.89Å; V66-L457 HydrophobicContact CB-CD2 4.34Å; V66-L457 HydrophobicContact CG1-CD2 4.28Å; V66-L457 HydrophobicContact CG1-CG 4.36Å; V66-L457 HydrophobicContact CG2-CD2 3.91Å; R265-L457 HydrophobicContact CG-CD2 4.07Å; D455-L457 PolarHBondContact O-N 3.31Å; D455-L457 WeakPolarHBondContact OD1-CB 3.4Å; D455-L457 PolarHBondContact OD1-N 3.3Å
458R87.2Confident89.6Confident41 Ų4149 Ų4916%0.15525%0.247CC..THydrogen-bonded Turntrans-130.6-4.6-169.1-62.6176.8175.8812.8113.6N390 I413 I452 D455N390-R458 PolarHBondContact ND2-O 3.03Å; I413-R458 PolarHBondContact O-NH2 3.05Å; I452-R458 HydrophobicContact CB-CB 3.99Å; I452-R458 HydrophobicContact CG1-CB 4.29Å; I452-R458 PolarHBondContact N-O 3.4Å; D455-R458 HydrophobicContact CB-CB 4.2Å; D455-R458 CarbonylContact O-C 3.59Å; D455-R458 PolarHBondContact O-N 3.32Å; D455-R458 VanDerWaalsContact OD2-CD 3.28Å; D455-R458 WeakPolarHBondContact OD2-CD 3.17Å; D455-R458 IonicContact OD2-CZ 2.86Å; D455-R458 IonicContact OD2-NE 3.13Å; D455-R458 IonicContact OD2-NH1 3.14Å; D455-R458 PolarHBondContact OD2-NH1 3.31Å
459R89.4Confident89.4Confident88 Ų8850.1 Ų50.133%0.33226%0.255SS..  trans-64.2145.8175.2172.1165.2170.4164.4-7.7111.4N390 I452 Q453 D455 D461N390-R459 WeakPolarHBondContact CB-O 3.31Å; I452-R459 PolarHBondContact O-N 3.47Å; Q453-R459 WeakPolarHBondContact O-CD 3.48Å; D455-R459 WeakPolarHBondContact O-CB 3.21Å; D455-R459 PolarHBondContact O-N 3.05Å; R459-D461 IonicContact CZ-OD1 3.6Å; R459-D461 IonicContact NE-OD1 3.83Å; R459-D461 PolarHBondContact NE-OD1 2.93Å; R459-D461 IonicContact NH2-OD1 3.64Å; R459-D461 PolarHBondContact NH2-OD1 2.81Å
460F91.8Very high89.3Confident6 Ų653.8 Ų53.83%0.02628%0.28CS..  trans-120.3111.9171.9175-121.8000108.4E388 I451 Q453 T469 K472 I473 Y485E388-F460 HydrophobicContact CB-CE2 3.96Å; E388-F460 HydrophobicContact CG-CE2 3.91Å; E388-F460 VanDerWaalsContact O-CD2 3.25Å; E388-F460 WeakPolarHBondContact O-CD2 3.25Å; E388-F460 WeakPolarHBondContact O-CE2 3.1Å; I451-F460 HydrophobicContact CD1-CB 4.02Å; I451-F460 HydrophobicContact CD1-CD1 4.03Å; I451-F460 HydrophobicContact CD1-CG 4.34Å; I451-F460 HydrophobicContact CG1-CB 3.98Å; I451-F460 HydrophobicContact CG2-CB 4.26Å; Q453-F460 PolarHBondContact NE2-O 3.37Å; F460-T469 HydrophobicContact CE1-CG2 3.83Å; F460-K472 HydrophobicContact CE1-CB 4.15Å; F460-K472 HydrophobicContact CZ-CB 3.84Å; F460-I473 HydrophobicContact CD1-CD1 3.96Å; F460-I473 HydrophobicContact CD1-CG1 3.93Å; F460-I473 HydrophobicContact CE1-CD1 4Å; F460-I473 HydrophobicContact CE1-CG1 3.8Å; F460-Y485 HydrophobicContact CD1-CD2 4.41Å; F460-Y485 AromaticContact CD2-CD2 3.66Å; F460-Y485 HydrophobicContact CD2-CD2 3.66Å; F460-Y485 HydrophobicContact CD2-CE2 4.17Å; F460-Y485 HydrophobicContact CD2-CG 4.45Å; F460-Y485 HydrophobicContact CE1-CD2 4.17Å; F460-Y485 AromaticContact CE2-CD2 3.38Å; F460-Y485 HydrophobicContact CE2-CD2 3.38Å; F460-Y485 AromaticContact CE2-CE2 3.52Å; F460-Y485 HydrophobicContact CE2-CE2 3.52Å; F460-Y485 HydrophobicContact CG-CD2 4.17Å; F460-Y485 AromaticContact CZ-CD2 3.66Å; F460-Y485 HydrophobicContact CZ-CD2 3.66Å; F460-Y485 AromaticContact CZ-CE2 3.87Å; F460-Y485 HydrophobicContact CZ-CE2 3.87Å
461D92.2Very high89.1Confident24 Ų2458.9 Ų58.913%0.12830%0.302CS..  trans-85.2-14.1-178-57.6-77.1000113.7I257 R262 R459I257-D461 HydrophobicContact CB-CB 4.11Å; I257-D461 HydrophobicContact CG2-CB 3.92Å; R262-D461 IonicContact CZ-OD2 3.48Å; R262-D461 IonicContact NE-OD2 3.3Å; R262-D461 VanDerWaalsContact NH2-CB 3.29Å; R262-D461 IonicContact NH2-OD2 2.81Å; R262-D461 PolarHBondContact NH2-OD2 3.4Å; R459-D461 IonicContact CZ-OD1 3.6Å; R459-D461 IonicContact NE-OD1 3.83Å; R459-D461 PolarHBondContact NE-OD1 2.93Å; R459-D461 IonicContact NH2-OD1 3.64Å; R459-D461 PolarHBondContact NH2-OD1 2.81Å
462G91.8Very high89Confident0 Ų060.3 Ų60.30%031%0.308CS..  trans67.9-154.6178.400000115.3I257I257-G462 PolarHBondContact N-O 3.12Å; I257-G462 VanDerWaalsContact N-O 3.08Å
463Y91.7Very high89.1Confident14 Ų1460.2 Ų60.26%0.05531%0.307CS..BIsolated β-bridgetrans-112.8162.7177.3-52.8-86.8000110.1T246 K254 A255 A256 E388 N465 A468 T469 K472T246-Y463 HydrophobicContact CG2-CE1 4.49Å; T246-Y463 WeakPolarHBondContact OG1-CE1 3.49Å; K254-Y463 HydrophobicContact CB-CD1 3.82Å; K254-Y463 HydrophobicContact CB-CE1 4.14Å; K254-Y463 HydrophobicContact CB-CG 4.45Å; A255-Y463 VanDerWaalsContact O-CA 3.25Å; A255-Y463 WeakPolarHBondContact O-CA 3.37Å; A255-Y463 WeakPolarHBondContact O-CB 3.49Å; A256-Y463 HydrophobicContact CB-CD1 3.85Å; A256-Y463 HydrophobicContact CB-CE1 3.9Å; E388-Y463 HydrophobicContact CG-CE1 4.43Å; E388-Y463 HydrophobicContact CG-CE2 4.47Å; E388-Y463 WeakPolarHBondContact CG-OH 3.47Å; E388-Y463 PolarHBondContact OE1-OH 3.38Å; Y463-N465 PolarHBondContact O-N 2.96Å; Y463-A468 HydrophobicContact CD2-CB 3.75Å; Y463-A468 HydrophobicContact CE2-CB 4.32Å; Y463-A468 HydrophobicContact CG-CB 4.16Å; Y463-T469 PolarHBondContact N-OG1 3.09Å; Y463-T469 PolarHBondContact O-OG1 3.27Å; Y463-K472 HydrophobicContact CE2-CG 4Å
464V90Very high89.5Confident53 Ų5356.4 Ų56.432%0.32129%0.291SS..SBendtrans-57.2-33.2168.4178.50000111.4I171 Y243 A255 I257 E466I171-V464 HydrophobicContact CG1-CG1 4.37Å; Y243-V464 HydrophobicContact CD1-CG2 3.72Å; Y243-V464 HydrophobicContact CE1-CG2 3.31Å; A255-V464 HydrophobicContact CB-CB 4.29Å; A255-V464 HydrophobicContact CB-CG2 3.85Å; A255-V464 PolarHBondContact O-N 3.47Å; I257-V464 HydrophobicContact CG1-CG2 4.31Å; V464-E466 PolarHBondContact O-N 3.25Å
465N87.7Confident89.9Confident71 Ų7152.1 Ų52.138%0.3827%0.274SS..SBendtrans-83.1111.8174.4-176.5-73.5000110.7Y463 T467 A468 T469Y463-N465 PolarHBondContact O-N 2.96Å; N465-T467 PolarHBondContact O-N 2.93Å; N465-T467 WeakPolarHBondContact OD1-CB 3.42Å; N465-T467 PolarHBondContact OD1-N 3.08Å; N465-A468 HydrophobicContact CB-CB 4.04Å; N465-A468 WeakPolarHBondContact O-CB 3.47Å; N465-A468 PolarHBondContact O-N 3.15Å; N465-A468 PolarHBondContact OD1-N 3.44Å; N465-T469 PolarHBondContact O-N 2.84Å; N465-T469 VanDerWaalsContact O-N 3.12Å; N465-T469 PolarHBondContact O-OG1 2.76Å
466E88.6Confident90.2Very high158 Ų15851.5 Ų51.574%0.73827%0.272SS*.Hα-helixtrans-61.5-39.3-177.9-65.3-176.3173.600113V464 A468 T469 S470V464-E466 PolarHBondContact O-N 3.25Å; E466-A468 VanDerWaalsContact C-N 3.3Å; E466-A468 PolarHBondContact O-N 2.93Å; E466-T469 WeakPolarHBondContact O-CA 3.26Å; E466-T469 VanDerWaalsContact O-CB 3.31Å; E466-T469 WeakPolarHBondContact O-CB 3.41Å; E466-T469 PolarHBondContact O-N 2.86Å; E466-S470 PolarHBondContact O-N 3.01Å; E466-S470 PolarHBondContact O-OG 2.59Å
467T87.9Confident90.7Very high90 Ų9050.1 Ų50.155%0.55226%0.263SS*.Hα-helixtrans-60.7-40.1176.5-530000111.7N465 T469 K471N465-T467 PolarHBondContact O-N 2.93Å; N465-T467 WeakPolarHBondContact OD1-CB 3.42Å; N465-T467 PolarHBondContact OD1-N 3.08Å; T467-T469 VanDerWaalsContact C-N 3.31Å; T467-K471 WeakPolarHBondContact O-CG 3.47Å; T467-K471 PolarHBondContact O-N 2.87Å; T467-K471 VanDerWaalsContact O-N 3.15Å
468A85.3Confident91Very high6 Ų650.7 Ų50.75%0.0527%0.265CS..Hα-helixtrans-65.9-35.5174.700000112K254 Y463 N465 E466K254-A468 HydrophobicContact CD-CB 3.92Å; Y463-A468 HydrophobicContact CD2-CB 3.75Å; Y463-A468 HydrophobicContact CE2-CB 4.32Å; Y463-A468 HydrophobicContact CG-CB 4.16Å; N465-A468 HydrophobicContact CB-CB 4.04Å; N465-A468 WeakPolarHBondContact O-CB 3.47Å; N465-A468 PolarHBondContact O-N 3.15Å; N465-A468 PolarHBondContact OD1-N 3.44Å; E466-A468 VanDerWaalsContact C-N 3.3Å; E466-A468 PolarHBondContact O-N 2.93Å
469T90.8Very high91.2Very high25 Ų2554.6 Ų54.615%0.15328%0.283CS..Hα-helixtrans-65.3-50.8174.6-61.70000111.1F460 Y463 N465 E466 T467 K471 K472 I473F460-T469 HydrophobicContact CE1-CG2 3.83Å; Y463-T469 PolarHBondContact N-OG1 3.09Å; Y463-T469 PolarHBondContact O-OG1 3.27Å; N465-T469 PolarHBondContact O-N 2.84Å; N465-T469 VanDerWaalsContact O-N 3.12Å; N465-T469 PolarHBondContact O-OG1 2.76Å; E466-T469 WeakPolarHBondContact O-CA 3.26Å; E466-T469 VanDerWaalsContact O-CB 3.31Å; E466-T469 WeakPolarHBondContact O-CB 3.41Å; E466-T469 PolarHBondContact O-N 2.86Å; T467-T469 VanDerWaalsContact C-N 3.31Å; T469-K471 VanDerWaalsContact C-N 3.29Å; T469-K471 PolarHBondContact O-N 3.48Å; T469-K472 WeakPolarHBondContact O-CB 3.41Å; T469-K472 PolarHBondContact O-N 3.16Å; T469-I473 HydrophobicContact CG2-CD1 4.07Å
470S91.9Very high91.4Very high78 Ų7860.1 Ų60.155%0.54530%0.304SS..Hα-helixtrans-60.4-37.4-178.7-61.90000112.4E466 K472 I473E466-S470 PolarHBondContact O-N 3.01Å; E466-S470 PolarHBondContact O-OG 2.59Å; S470-K472 PolarHBondContact O-N 2.91Å; S470-K472 VanDerWaalsContact O-N 3.14Å; S470-I473 PolarHBondContact O-N 3.44Å
471K89.5Confident91.4Very high158 Ų15863 Ų6369%0.68734%0.335SS*.THydrogen-bonded Turntrans-62.4-18.1174.6-75.1-178.5179.2-171.50114.2T467 T469T467-K471 WeakPolarHBondContact O-CG 3.47Å; T467-K471 PolarHBondContact O-N 2.87Å; T467-K471 VanDerWaalsContact O-N 3.15Å; T469-K471 VanDerWaalsContact C-N 3.29Å; T469-K471 PolarHBondContact O-N 3.48Å
472K91.4Very high91.5Very high48 Ų4862.5 Ų62.521%0.20933%0.332CS..THydrogen-bonded Turntrans-96.83.2177.5-72.7-66.4-166172.40113.1F460 Y463 T469 S470 Y485 L486 S487F460-K472 HydrophobicContact CE1-CB 4.15Å; F460-K472 HydrophobicContact CZ-CB 3.84Å; Y463-K472 HydrophobicContact CE2-CG 4Å; T469-K472 WeakPolarHBondContact O-CB 3.41Å; T469-K472 PolarHBondContact O-N 3.16Å; S470-K472 PolarHBondContact O-N 2.91Å; S470-K472 VanDerWaalsContact O-N 3.14Å; K472-Y485 HydrophobicContact CB-CD2 4.12Å; K472-Y485 HydrophobicContact CB-CE2 4.02Å; K472-Y485 HydrophobicContact CD-CE2 4.09Å; K472-Y485 HydrophobicContact CG-CE2 4.24Å; K472-Y485 CarbonylContact O-C 3.45Å; K472-Y485 WeakPolarHBondContact O-CA 3.49Å; K472-L486 VanDerWaalsContact CD-O 3.32Å; K472-L486 WeakPolarHBondContact CD-O 3.38Å; K472-L486 PolarHBondContact O-N 3.46Å; K472-S487 PolarHBondContact NZ-O 2.8Å
473I94.4Very high91.6Very high59 Ų5964.9 Ų64.930%0.30335%0.349SS..EExtended strand (participates in β ladder)trans-116.9127.5-177.3-59.6173.6000109.5I451 F460 T469 S470 A484I451-I473 HydrophobicContact CD1-CD1 4.36Å; I451-I473 HydrophobicContact CD1-CG1 3.92Å; I451-I473 HydrophobicContact CD1-CG2 4.16Å; F460-I473 HydrophobicContact CD1-CD1 3.96Å; F460-I473 HydrophobicContact CD1-CG1 3.93Å; F460-I473 HydrophobicContact CE1-CD1 4Å; F460-I473 HydrophobicContact CE1-CG1 3.8Å; T469-I473 HydrophobicContact CG2-CD1 4.07Å; S470-I473 PolarHBondContact O-N 3.44Å; I473-A484 WeakPolarHBondContact CA-O 3.21Å
474A94.5Very high91.8Very high10 Ų1064.2 Ų64.28%0.08335%0.346CS..EExtended strand (participates in β ladder)trans-110.7143.6167.200000110.5L428 V477 S483 A484 L486L428-A474 HydrophobicContact CD1-CB 3.58Å; A474-V477 HydrophobicContact CB-CG2 3.53Å; A474-S483 CarbonylContact O-C 3.58Å; A474-S483 WeakPolarHBondContact O-CA 3.39Å; A474-A484 PolarHBondContact N-O 3.31Å; A474-A484 PolarHBondContact O-N 2.95Å; A474-L486 HydrophobicContact CB-CD1 4.01Å; A474-L486 HydrophobicContact CB-CD2 3.81Å; A474-L486 HydrophobicContact CB-CG 4Å
475S94.9Very high92Very high73 Ų7361.7 Ų61.751%0.5133%0.331SS..EExtended strand (participates in β ladder)trans-94.5156.2173.763.90000111.8R430 V477 D482R430-S475 PolarHBondContact NH1-O 3.39Å; R430-S475 VanDerWaalsContact NH1-O 3.12Å; R430-S475 PolarHBondContact NH2-O 2.88Å; S475-V477 PolarHBondContact O-N 2.94Å; S475-D482 CarbonylContact C-O 3.47Å; S475-D482 WeakPolarHBondContact CA-O 3.07Å
476S94.5Very high92.2Very high23 Ų2359.5 Ų59.516%0.16132%0.319CS..SBendtrans51.253.9175.7-56.60000113.2R430 V435 K479 G481 D482R430-S476 PolarHBondContact NH1-O 2.83Å; V435-S476 WeakPolarHBondContact CA-O 3.23Å; S476-K479 WeakPolarHBondContact CA-O 3.2Å; S476-G481 PolarHBondContact OG-N 3.36Å; S476-D482 WeakPolarHBondContact CA-OD1 3.09Å; S476-D482 PolarHBondContact N-O 2.95Å
477V94.3Very high92.3Very high0 Ų052.3 Ų52.30%029%0.287CS..SBendtrans-95.5-45.5-174.21780000111.9V419 L428 V435 C436 V448 A474 S475 D482 A484V419-V477 HydrophobicContact CG1-CG1 4.17Å; L428-V477 HydrophobicContact CD1-CG2 4.49Å; V435-V477 WeakPolarHBondContact CG1-O 3.41Å; C436-V477 HydrophobicContact CB-CG1 4.14Å; C436-V477 PolarHBondContact N-O 3.46Å; V448-V477 HydrophobicContact CB-CG1 4.31Å; V448-V477 HydrophobicContact CG2-CG1 3.79Å; A474-V477 HydrophobicContact CB-CG2 3.53Å; S475-V477 PolarHBondContact O-N 2.94Å; V477-D482 PolarHBondContact N-OD1 2.86Å; V477-A484 HydrophobicContact CB-CB 3.71Å; V477-A484 HydrophobicContact CG1-CB 3.88Å; V477-A484 HydrophobicContact CG2-CB 3.73Å
478F91.3Very high92.3Very high39 Ų3948.9 Ų48.917%0.17127%0.269CS..SBendtrans-102.3-28.2175.7-50.7-104.1000112.1P415 R417 V448 K450 D482 A484P415-F478 WeakPolarHBondContact O-CZ 3.38Å; R417-F478 HydrophobicContact CB-CD1 4.41Å; R417-F478 HydrophobicContact CB-CE1 3.61Å; R417-F478 HydrophobicContact CB-CZ 4.33Å; V448-F478 HydrophobicContact CG2-CE2 4.41Å; V448-F478 HydrophobicContact CG2-CZ 3.95Å; K450-F478 HydrophobicContact CB-CD2 4.04Å; K450-F478 HydrophobicContact CB-CE2 3.6Å; K450-F478 HydrophobicContact CB-CZ 4.04Å; K450-F478 HydrophobicContact CD-CD2 4.48Å; K450-F478 HydrophobicContact CG-CD2 4.24Å; K450-F478 HydrophobicContact CG-CE2 4.26Å; F478-D482 WeakPolarHBondContact CA-OD2 3.48Å; F478-D482 WeakPolarHBondContact CB-OD2 3.48Å; F478-D482 WeakPolarHBondContact CD2-OD2 3.44Å; F478-D482 PolarHBondContact N-OD1 3.18Å; F478-D482 PolarHBondContact N-OD2 2.98Å; F478-A484 HydrophobicContact CD2-CB 4.35Å; F478-A484 HydrophobicContact CE2-CB 3.72Å
479K92.3Very high92.4Very high124 Ų12449.5 Ų49.554%0.53927%0.271SS..SBendtrans-156.1156173.862.1174.2-170.51680109.7S476 G481 D482S476-K479 WeakPolarHBondContact CA-O 3.2Å; K479-G481 PolarHBondContact O-N 2.71Å; K479-D482 HydrophobicContact CG-CB 3.9Å; K479-D482 PolarHBondContact N-OD2 2.85Å; K479-D482 VanDerWaalsContact N-OD2 3.15Å; K479-D482 PolarHBondContact O-N 3.19Å; K479-D482 VanDerWaalsContact O-N 3.13Å
480R92.8Very high92.2Very high204 Ų20448.8 Ų48.877%0.7727%0.267SS*.THydrogen-bonded Turntrans-51.2129.4176.6-172.4178.7-97.2-162.7-6.6111.2D482R480-D482 PolarHBondContact O-N 2.9Å
481G91.4Very high92.3Very high66 Ų6645 Ų4568%0.6824%0.241SC*.THydrogen-bonded Turntrans81.40.3177.100000116.1S476 K479S476-G481 PolarHBondContact OG-N 3.36Å; K479-G481 PolarHBondContact O-N 2.71Å
482D93.9Very high92.4Very high13 Ų1339.6 Ų39.67%0.0722%0.219CC..  trans-81.9173.8170.177.1-1.6000112.8S475 S476 V477 F478 K479 R480S475-D482 CarbonylContact C-O 3.47Å; S475-D482 WeakPolarHBondContact CA-O 3.07Å; S476-D482 WeakPolarHBondContact CA-OD1 3.09Å; S476-D482 PolarHBondContact N-O 2.95Å; V477-D482 PolarHBondContact N-OD1 2.86Å; F478-D482 WeakPolarHBondContact CA-OD2 3.48Å; F478-D482 WeakPolarHBondContact CB-OD2 3.48Å; F478-D482 WeakPolarHBondContact CD2-OD2 3.44Å; F478-D482 PolarHBondContact N-OD1 3.18Å; F478-D482 PolarHBondContact N-OD2 2.98Å; K479-D482 HydrophobicContact CG-CB 3.9Å; K479-D482 PolarHBondContact N-OD2 2.85Å; K479-D482 VanDerWaalsContact N-OD2 3.15Å; K479-D482 PolarHBondContact O-N 3.19Å; K479-D482 VanDerWaalsContact O-N 3.13Å; R480-D482 PolarHBondContact O-N 2.9Å
483S94.9Very high92.6Very high50 Ų5038.4 Ų38.435%0.3521%0.214SC..EExtended strand (participates in β ladder)trans-130.2143175.9-52.10000110.3I451 A474I451-S483 PolarHBondContact N-O 2.95Å; A474-S483 CarbonylContact O-C 3.58Å; A474-S483 WeakPolarHBondContact O-CA 3.39Å
484A95.2Very high92.6Very high0 Ų037.1 Ų37.10%021%0.208CC..EExtended strand (participates in β ladder)trans-133.2146.2177.100000110.9V448 G449 I473 A474 V477 F478V448-A484 HydrophobicContact CB-CB 4.3Å; G449-A484 CarbonylContact O-C 3.56Å; G449-A484 WeakPolarHBondContact O-CA 3.28Å; I473-A484 WeakPolarHBondContact CA-O 3.21Å; A474-A484 PolarHBondContact N-O 3.31Å; A474-A484 PolarHBondContact O-N 2.95Å; V477-A484 HydrophobicContact CB-CB 3.71Å; V477-A484 HydrophobicContact CG1-CB 3.88Å; V477-A484 HydrophobicContact CG2-CB 3.73Å; F478-A484 HydrophobicContact CD2-CB 4.35Å; F478-A484 HydrophobicContact CE2-CB 3.72Å
485Y94.6Very high92.6Very high0 Ų041.6 Ų41.60%023%0.225CC..EExtended strand (participates in β ladder)trans-77.8136.4168.4168.2-92000109.3E388 C389 N390 C391 V448 G449 F460 K472 S487E388-Y485 HydrophobicContact CG-CE2 3.79Å; E388-Y485 PolarHBondContact OE1-OH 2.8Å; C389-Y485 HydrophobicContact CB-CE1 4.03Å; C389-Y485 WeakPolarHBondContact SG-CE1 3.18Å; N390-Y485 WeakPolarHBondContact OD1-CB 3.37Å; C391-Y485 WeakPolarHBondContact SG-CD1 3.39Å; C391-Y485 WeakPolarHBondContact SG-CE1 3.28Å; V448-Y485 VanDerWaalsContact CA-O 3.3Å; V448-Y485 WeakPolarHBondContact CA-O 3.25Å; G449-Y485 PolarHBondContact N-O 2.9Å; G449-Y485 VanDerWaalsContact N-O 3.13Å; G449-Y485 PolarHBondContact O-N 3.23Å; F460-Y485 HydrophobicContact CD1-CD2 4.41Å; F460-Y485 AromaticContact CD2-CD2 3.66Å; F460-Y485 HydrophobicContact CD2-CD2 3.66Å; F460-Y485 HydrophobicContact CD2-CE2 4.17Å; F460-Y485 HydrophobicContact CD2-CG 4.45Å; F460-Y485 HydrophobicContact CE1-CD2 4.17Å; F460-Y485 AromaticContact CE2-CD2 3.38Å; F460-Y485 HydrophobicContact CE2-CD2 3.38Å; F460-Y485 AromaticContact CE2-CE2 3.52Å; F460-Y485 HydrophobicContact CE2-CE2 3.52Å; F460-Y485 HydrophobicContact CG-CD2 4.17Å; F460-Y485 AromaticContact CZ-CD2 3.66Å; F460-Y485 HydrophobicContact CZ-CD2 3.66Å; F460-Y485 AromaticContact CZ-CE2 3.87Å; F460-Y485 HydrophobicContact CZ-CE2 3.87Å; K472-Y485 HydrophobicContact CB-CD2 4.12Å; K472-Y485 HydrophobicContact CB-CE2 4.02Å; K472-Y485 HydrophobicContact CD-CE2 4.09Å; K472-Y485 HydrophobicContact CG-CE2 4.24Å; K472-Y485 CarbonylContact O-C 3.45Å; K472-Y485 WeakPolarHBondContact O-CA 3.49Å; Y485-S487 VanDerWaalsContact CE1-CA 3.47Å
486L92.8Very high92.5Very high26 Ų2640.4 Ų40.414%0.13621%0.21CC..EExtended strand (participates in β ladder)trans-97.1115.2175.1-61.7170.4000109.7L428 V448 K472 A474 G488L428-L486 HydrophobicContact CD1-CD2 3.76Å; L428-L486 HydrophobicContact CD2-CD2 4.11Å; L428-L486 HydrophobicContact CG-CD2 4.32Å; V448-L486 HydrophobicContact CG1-CD2 3.79Å; K472-L486 VanDerWaalsContact CD-O 3.32Å; K472-L486 WeakPolarHBondContact CD-O 3.38Å; K472-L486 PolarHBondContact O-N 3.46Å; A474-L486 HydrophobicContact CB-CD1 4.01Å; A474-L486 HydrophobicContact CB-CD2 3.81Å; A474-L486 HydrophobicContact CB-CG 4Å; L486-G488 VanDerWaalsContact C-N 3.3Å; L486-G488 PolarHBondContact O-N 2.69Å
487S90.5Very high92.5Very high7 Ų739.3 Ų39.35%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-62.4-41.5175.565.40000111.9Y384 L447 K472 Y485 D489Y384-S487 VanDerWaalsContact OH-CB 3.25Å; Y384-S487 WeakPolarHBondContact OH-CB 3.3Å; L447-S487 VanDerWaalsContact O-CB 3.31Å; L447-S487 WeakPolarHBondContact O-CB 3.43Å; L447-S487 PolarHBondContact O-N 2.9Å; L447-S487 PolarHBondContact O-OG 2.91Å; K472-S487 PolarHBondContact NZ-O 2.8Å; Y485-S487 VanDerWaalsContact CE1-CA 3.47Å; S487-D489 VanDerWaalsContact C-N 3.3Å; S487-D489 PolarHBondContact OG-N 3.07Å; S487-D489 PolarHBondContact OG-O 2.94Å
488G86.7Confident92.6Very high17 Ų1740.4 Ų40.418%0.17521%0.208CC..EExtended strand (participates in β ladder)trans80.414.9-16500000112.7Q446 L486 T505Q446-G488 VanDerWaalsContact NE2-CA 3.31Å; Q446-G488 VanDerWaalsContact NE2-N 3.13Å; L486-G488 VanDerWaalsContact C-N 3.3Å; L486-G488 PolarHBondContact O-N 2.69Å; G488-T505 VanDerWaalsContact O-CB 3.28Å; G488-T505 WeakPolarHBondContact O-CB 3.44Å; G488-T505 PolarHBondContact O-N 3.48Å; G488-T505 PolarHBondContact O-OG1 3.45Å; G488-T505 VanDerWaalsContact O-OG1 3.08Å
489D87.3Confident92.8Very high19 Ų1938.6 Ų38.610%0.10220%0.2CC..EExtended strand (participates in β ladder)trans-120.1133.8178.2-61.6-42.9000110.1Y384 Q446 L447 S487 L491 F501 R504Y384-D489 HydrophobicContact CE2-CB 4.22Å; Y384-D489 WeakPolarHBondContact CE2-OD2 3.26Å; Y384-D489 VanDerWaalsContact CZ-OD2 3.3Å; Y384-D489 WeakPolarHBondContact OH-CB 2.89Å; Y384-D489 PolarHBondContact OH-OD2 2.95Å; Q446-D489 WeakPolarHBondContact CA-O 3.3Å; L447-D489 PolarHBondContact N-O 2.89Å; L447-D489 VanDerWaalsContact N-O 3.1Å; S487-D489 VanDerWaalsContact C-N 3.3Å; S487-D489 PolarHBondContact OG-N 3.07Å; S487-D489 PolarHBondContact OG-O 2.94Å; D489-L491 HydrophobicContact CB-CD1 3.71Å; D489-L491 WeakPolarHBondContact O-CD1 3.35Å; D489-F501 HydrophobicContact CB-CD2 4.46Å; D489-F501 HydrophobicContact CB-CE2 3.89Å; D489-R504 WeakPolarHBondContact OD1-CG 3.18Å; D489-R504 IonicContact OD1-NE 3.3Å
490V87.9Confident92.8Very high10 Ų1035 Ų356%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-93.5123.5175.1-178.50000109M426 P444 G445 K502 D503M426-V490 HydrophobicContact CE-CG2 3.78Å; P444-V490 HydrophobicContact CB-CG1 3.83Å; G445-V490 WeakPolarHBondContact O-CA 3.26Å; V490-K502 HydrophobicContact CG1-CB 4.47Å; V490-K502 WeakPolarHBondContact O-CB 3.44Å; V490-K502 PolarHBondContact O-N 2.81Å; V490-D503 PolarHBondContact N-O 2.88Å; V490-D503 PolarHBondContact O-N 3.49Å
491L92.7Very high92.6Very high0 Ų029.2 Ų29.20%016%0.163CC..EExtended strand (participates in β ladder)trans-122.9162.1178.8-7172.6000109.6Y384 L393 L418 P444 G445 L447 D489 M499 Y500Y384-L491 HydrophobicContact CE2-CD1 4.39Å; L393-L491 HydrophobicContact CD1-CD2 3.92Å; L418-L491 HydrophobicContact CD1-CB 4.25Å; L418-L491 HydrophobicContact CD2-CB 3.88Å; P444-L491 WeakPolarHBondContact CA-O 3.26Å; G445-L491 PolarHBondContact N-O 3.39Å; G445-L491 PolarHBondContact O-N 2.82Å; L447-L491 HydrophobicContact CB-CD1 3.96Å; L447-L491 HydrophobicContact CD2-CD2 4.3Å; D489-L491 HydrophobicContact CB-CD1 3.71Å; D489-L491 WeakPolarHBondContact O-CD1 3.35Å; L491-M499 HydrophobicContact CD2-CB 4.14Å; L491-M499 HydrophobicContact CD2-SD 4.37Å; L491-Y500 CarbonylContact C-O 3.57Å; L491-Y500 VanDerWaalsContact CA-O 3.26Å; L491-Y500 WeakPolarHBondContact CA-O 3.42Å; L491-Y500 WeakPolarHBondContact CB-O 3.12Å
492I92.7Very high92.1Very high44 Ų4429.9 Ų29.923%0.22615%0.148CC..EExtended strand (participates in β ladder)trans-115.7139.8166.5-67.3170.6000108P444 M499 Y500 K502P444-I492 HydrophobicContact CB-CG1 4.12Å; I492-M499 CarbonylContact O-C 3.55Å; I492-M499 WeakPolarHBondContact O-CA 3.43Å; I492-Y500 PolarHBondContact N-O 2.9Å; I492-Y500 PolarHBondContact O-N 3.14Å; I492-K502 HydrophobicContact CD1-CD 3.8Å; I492-K502 HydrophobicContact CG1-CD 4.23Å
493M95.4Very high91Very high22 Ų2229.3 Ų29.311%0.10815%0.145CC..EExtended strand (participates in β ladder)trans-113.6129.8173.4-172.8178.26700110.5N406 Q408 L418 P441 G442 H498 M499N406-M493 HydrophobicContact CB-SD 4.21Å; Q408-M493 PolarHBondContact NE2-SD 2.95Å; L418-M493 HydrophobicContact CD1-CB 3.67Å; P441-M493 CarbonylContact C-O 3.52Å; P441-M493 VanDerWaalsContact CA-O 3.26Å; P441-M493 WeakPolarHBondContact CA-O 3.26Å; G442-M493 PolarHBondContact N-O 3.02Å; M493-H498 CarbonylContact C-O 3.58Å; M493-H498 VanDerWaalsContact CA-O 3.26Å; M493-H498 WeakPolarHBondContact CA-O 3.2Å; M493-M499 HydrophobicContact CB-CG 4.18Å; M493-M499 HydrophobicContact CG-CE 4.31Å; M493-M499 HydrophobicContact CG-CG 4.05Å; M493-M499 HydrophobicContact SD-CE 3.64Å
494D95.1Very high89.9Confident32 Ų3231.2 Ų31.217%0.17114%0.144CC..  trans-79.4172.6174.673.323.7000112.5Y496 G497 H498 Y500D494-Y496 PolarHBondContact O-N 2.88Å; D494-Y496 VanDerWaalsContact O-N 3.15Å; D494-Y496 VanDerWaalsContact OD1-C 3.26Å; D494-Y496 VanDerWaalsContact OD1-CA 3.28Å; D494-Y496 WeakPolarHBondContact OD1-CA 3.41Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.44Å; D494-Y496 PolarHBondContact OD1-N 3.23Å; D494-G497 PolarHBondContact O-N 3.34Å; D494-G497 PolarHBondContact OD1-N 3.23Å; D494-H498 PolarHBondContact N-O 3.48Å; D494-H498 IonicContact OD1-CG 3.78Å; D494-H498 PolarHBondContact OD1-N 3.39Å; D494-H498 IonicContact OD1-ND1 3.69Å; D494-H498 PolarHBondContact OD1-ND1 3.3Å; D494-H498 WeakPolarHBondContact OD2-CB 3.03Å; D494-H498 IonicContact OD2-CG 2.67Å; D494-H498 IonicContact OD2-ND1 3.88Å; D494-H498 PolarHBondContact OD2-ND1 2.7Å; D494-H498 VanDerWaalsContact OD2-ND1 3.08Å; D494-Y500 HydrophobicContact CB-CE2 3.98Å; D494-Y500 PolarHBondContact OD2-OH 3.49Å
495K92.9Very high88.3Confident105 Ų10533.4 Ų33.446%0.45716%0.158SC..THydrogen-bonded Turntrans-64.1-16.9179.968.3174.8-176.3164.80114.2D43 I44 P441D43-K495 IonicContact OD2-NZ 3.81Å; I44-K495 WeakPolarHBondContact CD1-O 3.34Å; I44-K495 WeakPolarHBondContact CG1-O 3.17Å; P441-K495 HydrophobicContact CB-CB 4.26Å
496Y93.9Very high86.7Confident47 Ų4735.2 Ų35.218%0.18418%0.176CC..THydrogen-bonded Turntrans-95.72.6175.9-52.6-62.9000112.1D43 I44 K47 T48 R51 D494D43-Y496 WeakPolarHBondContact OD2-CE1 3.38Å; I44-Y496 HydrophobicContact CG1-CD1 4.34Å; K47-Y496 HydrophobicContact CB-CD1 4.37Å; K47-Y496 HydrophobicContact CB-CE1 4.33Å; K47-Y496 HydrophobicContact CD-CD1 4.2Å; K47-Y496 HydrophobicContact CD-CE1 3.37Å; K47-Y496 HydrophobicContact CG-CE1 4.47Å; K47-Y496 PolarHBondContact NZ-OH 3.39Å; T48-Y496 HydrophobicContact CG2-CD1 4.42Å; R51-Y496 PolarHBondContact NH1-O 3.04Å; R51-Y496 PolarHBondContact NH2-O 3.11Å; D494-Y496 PolarHBondContact O-N 2.88Å; D494-Y496 VanDerWaalsContact O-N 3.15Å; D494-Y496 VanDerWaalsContact OD1-C 3.26Å; D494-Y496 VanDerWaalsContact OD1-CA 3.28Å; D494-Y496 WeakPolarHBondContact OD1-CA 3.41Å; D494-Y496 WeakPolarHBondContact OD1-CB 3.44Å; D494-Y496 PolarHBondContact OD1-N 3.23Å
497G93.7Very high85.4Confident0 Ų035.2 Ų35.20%018%0.176CC..  trans85.13.3177.400000115.1F405 N406 D494F405-G497 CarbonylContact C-O 3.58Å; F405-G497 WeakPolarHBondContact CA-O 3.3Å; F405-G497 VanDerWaalsContact CB-O 3.25Å; F405-G497 WeakPolarHBondContact CB-O 3.36Å; N406-G497 PolarHBondContact N-O 2.76Å; N406-G497 VanDerWaalsContact O-CA 3.3Å; N406-G497 WeakPolarHBondContact O-CA 3.43Å; D494-G497 PolarHBondContact O-N 3.34Å; D494-G497 PolarHBondContact OD1-N 3.23Å
498H96.4Very high84.3Confident24 Ų2436.9 Ų36.911%0.11119%0.187CC..EExtended strand (participates in β ladder)trans-68.4139.3173.3-54.597.4000109.5R51 A402 M493 D494 Y500R51-H498 PolarHBondContact NH1-CD2 3.37Å; R51-H498 PolarHBondContact NH1-CE1 2.91Å; R51-H498 VanDerWaalsContact NH1-CE1 3.31Å; R51-H498 PolarHBondContact NH1-NE2 3.23Å; A402-H498 HydrophobicContact CB-CB 4.07Å; M493-H498 CarbonylContact C-O 3.58Å; M493-H498 VanDerWaalsContact CA-O 3.26Å; M493-H498 WeakPolarHBondContact CA-O 3.2Å; D494-H498 PolarHBondContact N-O 3.48Å; D494-H498 IonicContact OD1-CG 3.78Å; D494-H498 PolarHBondContact OD1-N 3.39Å; D494-H498 IonicContact OD1-ND1 3.69Å; D494-H498 PolarHBondContact OD1-ND1 3.3Å; D494-H498 WeakPolarHBondContact OD2-CB 3.03Å; D494-H498 IonicContact OD2-CG 2.67Å; D494-H498 IonicContact OD2-ND1 3.88Å; D494-H498 PolarHBondContact OD2-ND1 2.7Å; D494-H498 VanDerWaalsContact OD2-ND1 3.08Å; H498-Y500 HydrophobicContact CB-CE2 3.76Å; H498-Y500 WeakPolarHBondContact O-CE2 3.47Å
499M95.4Very high83.8Confident1 Ų136.3 Ų36.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-109.6135.9-179.7-69.8-174.4170.900110L393 A402 C403 G404 N406 I416 L418 L447 L491 I492 M493L393-M499 HydrophobicContact CD1-CB 3.95Å; L393-M499 HydrophobicContact CD1-CG 4.27Å; L393-M499 HydrophobicContact CD1-SD 3.36Å; L393-M499 WeakPolarHBondContact CD1-SD 3.38Å; L393-M499 HydrophobicContact CD2-SD 3.79Å; L393-M499 HydrophobicContact CG-SD 4.24Å; A402-M499 CarbonylContact C-O 3.59Å; A402-M499 VanDerWaalsContact CA-O 3.3Å; A402-M499 WeakPolarHBondContact CA-O 3.49Å; C403-M499 PolarHBondContact N-O 2.77Å; C403-M499 PolarHBondContact SG-O 3.18Å; C403-M499 VanDerWaalsContact SG-O 3.41Å; G404-M499 PolarHBondContact O-N 3.45Å; N406-M499 HydrophobicContact CB-CE 3.5Å; N406-M499 VanDerWaalsContact CB-CE 3.5Å; I416-M499 HydrophobicContact CD1-CE 4.37Å; L418-M499 HydrophobicContact CD2-CE 4.44Å; L418-M499 HydrophobicContact CG-CE 4.26Å; L447-M499 HydrophobicContact CD1-CE 4.36Å; L447-M499 HydrophobicContact CD1-SD 4.28Å; L491-M499 HydrophobicContact CD2-CB 4.14Å; L491-M499 HydrophobicContact CD2-SD 4.37Å; I492-M499 CarbonylContact O-C 3.55Å; I492-M499 WeakPolarHBondContact O-CA 3.43Å; M493-M499 HydrophobicContact CB-CG 4.18Å; M493-M499 HydrophobicContact CG-CE 4.31Å; M493-M499 HydrophobicContact CG-CG 4.05Å; M493-M499 HydrophobicContact SD-CE 3.64Å
500Y92.9Very high82.9Confident49 Ų4939 Ų3919%0.19219%0.188CC..EExtended strand (participates in β ladder)trans-121.9127.4-178.2-53.8-93.3000107.6K399 G401 A402 L491 I492 D494 H498 K502K399-Y500 WeakPolarHBondContact CE-OH 3.31Å; G401-Y500 WeakPolarHBondContact O-CD1 3.22Å; A402-Y500 HydrophobicContact CB-CD1 4.2Å; A402-Y500 HydrophobicContact CB-CE1 3.85Å; L491-Y500 CarbonylContact C-O 3.57Å; L491-Y500 VanDerWaalsContact CA-O 3.26Å; L491-Y500 WeakPolarHBondContact CA-O 3.42Å; L491-Y500 WeakPolarHBondContact CB-O 3.12Å; I492-Y500 PolarHBondContact N-O 2.9Å; I492-Y500 PolarHBondContact O-N 3.14Å; D494-Y500 HydrophobicContact CB-CE2 3.98Å; D494-Y500 PolarHBondContact OD2-OH 3.49Å; H498-Y500 HydrophobicContact CB-CE2 3.76Å; H498-Y500 WeakPolarHBondContact O-CE2 3.47Å; Y500-K502 PolarHBondContact O-N 3.41Å
501F87.9Confident82.4Confident81 Ų8139.1 Ų39.136%0.35519%0.187SC..EExtended strand (participates in β ladder)trans-68.7128.1174.7-177.9-89000109.1Y384 D489 R504Y384-F501 HydrophobicContact CD2-CD2 4.5Å; Y384-F501 HydrophobicContact CE2-CD2 4.23Å; D489-F501 HydrophobicContact CB-CD2 4.46Å; D489-F501 HydrophobicContact CB-CE2 3.89Å; F501-R504 HydrophobicContact CZ-CG 4Å
502K80.6Confident81.2Confident80 Ų8045 Ų4535%0.34821%0.213SC..EExtended strand (participates in β ladder)trans-104.1-60.6177.9-167.5179.1-169.6179.50110.4P444 V490 I492 Y500P444-K502 HydrophobicContact CB-CD 4.15Å; V490-K502 HydrophobicContact CG1-CB 4.47Å; V490-K502 WeakPolarHBondContact O-CB 3.44Å; V490-K502 PolarHBondContact O-N 2.81Å; I492-K502 HydrophobicContact CD1-CD 3.8Å; I492-K502 HydrophobicContact CG1-CD 4.23Å; Y500-K502 PolarHBondContact O-N 3.41Å
503D71.8Confident79.2Confident1 Ų144.5 Ų44.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-159.9171.1-177.3-135.6-36.5000112V490 D507 T508 S517 T518V490-D503 PolarHBondContact N-O 2.88Å; V490-D503 PolarHBondContact O-N 3.49Å; D503-D507 WeakPolarHBondContact OD1-CB 3.44Å; D503-T508 HydrophobicContact CB-CG2 3.88Å; D503-T508 WeakPolarHBondContact OD2-CG2 3.5Å; D503-S517 WeakPolarHBondContact OD2-CA 3.34Å; D503-S517 PolarHBondContact OD2-OG 3.4Å; D503-T518 PolarHBondContact OD2-N 2.77Å; D503-T518 VanDerWaalsContact OD2-N 3.17Å
504R71.5Confident77.4Confident90 Ų9048 Ų4834%0.3424%0.235SC..EExtended strand (participates in β ladder)trans-86.2148.2163.8-60.4-160.4171.7135.215.2110.7D489 F501 G506 D507D489-R504 WeakPolarHBondContact OD1-CG 3.18Å; D489-R504 IonicContact OD1-NE 3.3Å; F501-R504 HydrophobicContact CZ-CG 4Å; R504-G506 PolarHBondContact O-N 3.05Å; R504-G506 VanDerWaalsContact O-N 3.07Å; R504-D507 HydrophobicContact CB-CB 4.03Å; R504-D507 WeakPolarHBondContact CB-OD2 3.49Å; R504-D507 PolarHBondContact O-N 3.23Å
505T62.3Low75.8Confident47 Ų4748.9 Ų48.929%0.28824%0.24SC..THydrogen-bonded Turntrans-58.1113.2169.7-57.70000109.4M426 G488M426-T505 HydrophobicContact CB-CG2 3.35Å; M426-T505 HydrophobicContact CE-CG2 3.99Å; M426-T505 HydrophobicContact CG-CG2 3.9Å; G488-T505 VanDerWaalsContact O-CB 3.28Å; G488-T505 WeakPolarHBondContact O-CB 3.44Å; G488-T505 PolarHBondContact O-N 3.48Å; G488-T505 PolarHBondContact O-OG1 3.45Å; G488-T505 VanDerWaalsContact O-OG1 3.08Å
506G60Low74.4Confident38 Ų3844.1 Ų44.139%0.39222%0.219SC..THydrogen-bonded Turntrans93.43.4-17500000115.6R504 R602R504-G506 PolarHBondContact O-N 3.05Å; R504-G506 VanDerWaalsContact O-N 3.07Å; G506-R602 PolarHBondContact O-NH1 3.07Å
507D65.8Low73.5Confident25 Ų2542.3 Ų42.313%0.13421%0.214CC..THydrogen-bonded Turntrans-98.9-4.9171.2-78.8-13000113.5D503 R504 T518 R602D503-D507 WeakPolarHBondContact OD1-CB 3.44Å; R504-D507 HydrophobicContact CB-CB 4.03Å; R504-D507 WeakPolarHBondContact CB-OD2 3.49Å; R504-D507 PolarHBondContact O-N 3.23Å; D507-T518 VanDerWaalsContact O-CB 3.32Å; D507-T518 WeakPolarHBondContact O-CB 3.45Å; D507-T518 WeakPolarHBondContact O-CG2 3.24Å; D507-T518 PolarHBondContact O-OG1 3.22Å; D507-R602 IonicContact OD1-CZ 3.32Å; D507-R602 IonicContact OD1-NH1 2.97Å; D507-R602 PolarHBondContact OD1-NH1 3.36Å; D507-R602 IonicContact OD1-NH2 2.85Å; D507-R602 PolarHBondContact OD1-NH2 3.2Å
508T66.5Low73Confident43 Ų4342.3 Ų42.326%0.26421%0.214SC..EExtended strand (participates in β ladder)trans-83.1159.4167.451.10000111.2D503 V516D503-T508 HydrophobicContact CB-CG2 3.88Å; D503-T508 WeakPolarHBondContact OD2-CG2 3.5Å; T508-V516 WeakPolarHBondContact CA-O 3.43Å
509F75.9Confident71.8Confident4 Ų443.4 Ų43.42%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-132.6151167.366.2-96000110.8W511 V516 T518 V536 K547 G549F509-W511 HydrophobicContact CD2-CB 4.17Å; F509-W511 HydrophobicContact CE2-CB 4.12Å; F509-V516 HydrophobicContact CD1-CB 4.31Å; F509-V516 HydrophobicContact CD2-CB 3.95Å; F509-V516 HydrophobicContact CD2-CG2 4.16Å; F509-V516 HydrophobicContact CE1-CB 3.92Å; F509-V516 HydrophobicContact CE1-CG1 3.75Å; F509-V516 HydrophobicContact CE2-CB 3.55Å; F509-V516 HydrophobicContact CE2-CG1 3.94Å; F509-V516 HydrophobicContact CE2-CG2 3.62Å; F509-V516 HydrophobicContact CG-CB 4.32Å; F509-V516 HydrophobicContact CZ-CB 3.54Å; F509-V516 HydrophobicContact CZ-CG1 3.4Å; F509-V516 HydrophobicContact CZ-CG2 3.99Å; F509-V516 PolarHBondContact N-O 3.37Å; F509-V516 VanDerWaalsContact N-O 3.14Å; F509-V516 PolarHBondContact O-N 3.45Å; F509-T518 HydrophobicContact CD1-CG2 3.62Å; F509-T518 HydrophobicContact CE1-CG2 3.88Å; F509-V536 HydrophobicContact CE1-CG1 3.83Å; F509-K547 HydrophobicContact CB-CB 4.02Å; F509-K547 WeakPolarHBondContact CD2-O 3.23Å; F509-G549 VanDerWaalsContact CE2-CA 3.42Å
510R69Low70.6Confident77 Ų7749.1 Ų49.129%0.29125%0.249SC..EExtended strand (participates in β ladder)trans-106.1122.7177.6-168.9178-172.1-165.7-2.1109.6E424 G513 E514 G546 K547E424-R510 VanDerWaalsContact CD-NH1 3.29Å; E424-R510 IonicContact OE1-CZ 2.73Å; E424-R510 IonicContact OE1-NH1 3.66Å; E424-R510 PolarHBondContact OE1-NH1 2.85Å; R510-G513 PolarHBondContact NE-O 3.01Å; R510-G513 PolarHBondContact NH2-O 3.42Å; R510-E514 CarbonylContact C-O 3.58Å; R510-E514 VanDerWaalsContact CA-O 3.26Å; R510-E514 WeakPolarHBondContact CA-O 3.16Å; R510-G546 CarbonylContact O-C 3.59Å; R510-G546 VanDerWaalsContact O-CA 3.28Å; R510-G546 WeakPolarHBondContact O-CA 3.46Å; R510-K547 PolarHBondContact O-N 2.83Å; R510-K547 VanDerWaalsContact O-O 3.06Å
511W78.1Confident70Confident11 Ų1146.9 Ų46.94%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-132127.9179.7-172.7-123.5000110.8F509 G513 E514 I541 A544 K547 A548 V580 L643F509-W511 HydrophobicContact CD2-CB 4.17Å; F509-W511 HydrophobicContact CE2-CB 4.12Å; W511-G513 PolarHBondContact O-N 3.48Å; W511-E514 PolarHBondContact N-O 3.01Å; W511-E514 PolarHBondContact O-N 2.99Å; W511-I541 HydrophobicContact CH2-CD1 3.79Å; W511-I541 HydrophobicContact CZ3-CD1 4.31Å; W511-A544 HydrophobicContact CH2-CB 4.15Å; W511-A544 HydrophobicContact CZ3-CB 4.02Å; W511-K547 VanDerWaalsContact CE3-C 3.5Å; W511-A548 HydrophobicContact CD2-CB 4.02Å; W511-A548 HydrophobicContact CE3-CB 3.76Å; W511-A548 HydrophobicContact CH2-CB 3.78Å; W511-A548 HydrophobicContact CZ2-CB 4.01Å; W511-A548 HydrophobicContact CZ3-CB 3.64Å; W511-V580 HydrophobicContact CZ2-CG2 4.05Å; W511-L643 HydrophobicContact CH2-CB 4.41Å; W511-L643 HydrophobicContact CH2-CD1 4.34Å; W511-L643 HydrophobicContact CZ2-CB 4.23Å
512K66.3Low70Confident123 Ų12343.5 Ų43.554%0.53523%0.225SC..THydrogen-bonded Turntrans51.141-176.9-62.1-172.9174.6-177.70113.1E514 L643K512-E514 VanDerWaalsContact C-N 3.29Å; K512-E514 PolarHBondContact O-N 3.33Å; K512-L643 WeakPolarHBondContact CE-O 3.12Å; K512-L643 PolarHBondContact NZ-O 3.4Å; K512-L643 PolarHBondContact NZ-OXT 3.08Å
513G50.8Low69.7Low35 Ų3540.2 Ų40.236%0.36122%0.215SC..THydrogen-bonded Turntrans84.2-8.9179.200000115.4R510 W511R510-G513 PolarHBondContact NE-O 3.01Å; R510-G513 PolarHBondContact NH2-O 3.42Å; W511-G513 PolarHBondContact O-N 3.48Å
514E58.5Low70.1Confident95 Ų9541.1 Ų41.144%0.44422%0.22SC..EExtended strand (participates in β ladder)trans-105142.2-174.5-63.8-70.1170.100112.2R510 W511 K512 Y576R510-E514 CarbonylContact C-O 3.58Å; R510-E514 VanDerWaalsContact CA-O 3.26Å; R510-E514 WeakPolarHBondContact CA-O 3.16Å; W511-E514 PolarHBondContact N-O 3.01Å; W511-E514 PolarHBondContact O-N 2.99Å; K512-E514 VanDerWaalsContact C-N 3.29Å; K512-E514 PolarHBondContact O-N 3.33Å; E514-Y576 HydrophobicContact CB-CD1 4.08Å; E514-Y576 HydrophobicContact CB-CD2 3.55Å; E514-Y576 HydrophobicContact CB-CE1 4.46Å; E514-Y576 HydrophobicContact CB-CE2 4.01Å; E514-Y576 HydrophobicContact CB-CG 3.6Å; E514-Y576 HydrophobicContact CG-CD1 3.72Å; E514-Y576 HydrophobicContact CG-CD2 4.15Å; E514-Y576 HydrophobicContact CG-CE1 4.08Å; E514-Y576 HydrophobicContact CG-CG 3.76Å
515N61.1Low70.9Confident51 Ų5136.8 Ų36.827%0.27320%0.204SC..EExtended strand (participates in β ladder)trans-91127.2178.6-80.8-57.5000111.9E423E423-N515 VanDerWaalsContact CB-ND2 3.3Å; E423-N515 WeakPolarHBondContact CB-ND2 3.42Å; E423-N515 PolarHBondContact OE2-ND2 3.43Å
516V64.8Low72.1Confident4 Ų435 Ų352%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-114.8125.2-176.5-172.50000110.1T508 F509 V521 Y576 A577T508-V516 WeakPolarHBondContact CA-O 3.43Å; F509-V516 HydrophobicContact CD1-CB 4.31Å; F509-V516 HydrophobicContact CD2-CB 3.95Å; F509-V516 HydrophobicContact CD2-CG2 4.16Å; F509-V516 HydrophobicContact CE1-CB 3.92Å; F509-V516 HydrophobicContact CE1-CG1 3.75Å; F509-V516 HydrophobicContact CE2-CB 3.55Å; F509-V516 HydrophobicContact CE2-CG1 3.94Å; F509-V516 HydrophobicContact CE2-CG2 3.62Å; F509-V516 HydrophobicContact CG-CB 4.32Å; F509-V516 HydrophobicContact CZ-CB 3.54Å; F509-V516 HydrophobicContact CZ-CG1 3.4Å; F509-V516 HydrophobicContact CZ-CG2 3.99Å; F509-V516 PolarHBondContact N-O 3.37Å; F509-V516 VanDerWaalsContact N-O 3.14Å; F509-V516 PolarHBondContact O-N 3.45Å; V516-V521 HydrophobicContact CG1-CG2 3.55Å; V516-Y576 HydrophobicContact CG2-CD2 3.9Å; V516-Y576 HydrophobicContact CG2-CE2 4.48Å; V516-A577 HydrophobicContact CG1-CB 3.85Å; V516-A577 HydrophobicContact CG2-CB 4.23Å
517S73.5Confident73.2Confident10 Ų1040 Ų407%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-78.7123.1170.1178.20000110D503 T519 E520 V521D503-S517 WeakPolarHBondContact OD2-CA 3.34Å; D503-S517 PolarHBondContact OD2-OG 3.4Å; S517-T519 VanDerWaalsContact C-N 3.27Å; S517-T519 PolarHBondContact O-N 3.03Å; S517-T519 PolarHBondContact OG-N 2.89Å; S517-E520 PolarHBondContact O-N 3.45Å; S517-V521 WeakPolarHBondContact O-CG2 3.37Å; S517-V521 PolarHBondContact O-N 2.86Å
518T83.7Confident74.2Confident0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-67.2-34.7177.855.70000111.3D503 D507 F509 E520 V521 E522 V536 K598D503-T518 PolarHBondContact OD2-N 2.77Å; D503-T518 VanDerWaalsContact OD2-N 3.17Å; D507-T518 VanDerWaalsContact O-CB 3.32Å; D507-T518 WeakPolarHBondContact O-CB 3.45Å; D507-T518 WeakPolarHBondContact O-CG2 3.24Å; D507-T518 PolarHBondContact O-OG1 3.22Å; F509-T518 HydrophobicContact CD1-CG2 3.62Å; F509-T518 HydrophobicContact CE1-CG2 3.88Å; T518-E520 PolarHBondContact O-N 3.47Å; T518-V521 PolarHBondContact O-N 2.91Å; T518-E522 WeakPolarHBondContact O-CB 3.18Å; T518-E522 WeakPolarHBondContact O-CG 3.18Å; T518-E522 PolarHBondContact O-N 2.92Å; T518-V536 VanDerWaalsContact CB-O 3.23Å; T518-V536 WeakPolarHBondContact CB-O 3.11Å; T518-V536 HydrophobicContact CG2-CB 4.27Å; T518-V536 HydrophobicContact CG2-CG1 4.07Å; T518-V536 WeakPolarHBondContact CG2-O 3.31Å; T518-K598 PolarHBondContact OG1-NZ 3.46Å
519T71.4Confident75.4Confident46 Ų4639.3 Ų39.328%0.28220%0.195SC..Hα-helixtrans-63.9-39.1179.6-57.80000112.4S517 G523S517-T519 VanDerWaalsContact C-N 3.27Å; S517-T519 PolarHBondContact O-N 3.03Å; S517-T519 PolarHBondContact OG-N 2.89Å; T519-G523 PolarHBondContact O-N 3.43Å
520E70.2Confident76Confident121 Ų12146.5 Ų46.557%0.56523%0.228SC*.Hα-helixtrans-65.2-48176.9-179.3178.6-177.600111.6S517 T518 G523 T524S517-E520 PolarHBondContact O-N 3.45Å; T518-E520 PolarHBondContact O-N 3.47Å; E520-G523 PolarHBondContact O-N 3.39Å; E520-T524 WeakPolarHBondContact O-CB 3.49Å; E520-T524 PolarHBondContact O-N 3.42Å; E520-T524 PolarHBondContact O-OG1 3.02Å
521V81.2Confident76.7Confident2 Ų245 Ų451%0.01223%0.225CC..Hα-helixtrans-65.3-42.7178.7-176.90000110.3V516 S517 T518 G523 T524 L525 V536 L573 A577 P579V516-V521 HydrophobicContact CG1-CG2 3.55Å; S517-V521 WeakPolarHBondContact O-CG2 3.37Å; S517-V521 PolarHBondContact O-N 2.86Å; T518-V521 PolarHBondContact O-N 2.91Å; V521-G523 PolarHBondContact O-N 2.88Å; V521-T524 PolarHBondContact O-N 2.97Å; V521-L525 HydrophobicContact CG1-CD1 3.74Å; V521-L525 HydrophobicContact CG1-CG 4.07Å; V521-L525 WeakPolarHBondContact O-CB 3.15Å; V521-L525 VanDerWaalsContact O-CG 3.28Å; V521-L525 WeakPolarHBondContact O-CG 3.49Å; V521-L525 PolarHBondContact O-N 3.17Å; V521-V536 HydrophobicContact CB-CB 4.47Å; V521-V536 HydrophobicContact CB-CG1 4.14Å; V521-V536 HydrophobicContact CB-CG2 4.12Å; V521-V536 HydrophobicContact CG1-CG1 4.05Å; V521-V536 HydrophobicContact CG1-CG2 3.84Å; V521-L573 HydrophobicContact CG1-CD1 4.09Å; V521-L573 HydrophobicContact CG2-CD2 4.49Å; V521-A577 HydrophobicContact CG2-CB 4.28Å; V521-P579 HydrophobicContact CG1-CG 4.05Å
522E86.5Confident77.3Confident10 Ų1046 Ų465%0.04723%0.23CC..Hα-helixtrans-55.9-50173.9-78.7171.2-175.800112.2T518 T524 S526 V536 K598T518-E522 WeakPolarHBondContact O-CB 3.18Å; T518-E522 WeakPolarHBondContact O-CG 3.18Å; T518-E522 PolarHBondContact O-N 2.92Å; E522-T524 VanDerWaalsContact C-N 3.27Å; E522-T524 PolarHBondContact O-N 2.77Å; E522-S526 WeakPolarHBondContact O-CB 3.47Å; E522-S526 PolarHBondContact O-N 2.65Å; E522-V536 HydrophobicContact CB-CG2 4.32Å; E522-V536 HydrophobicContact CG-CB 3.72Å; E522-V536 HydrophobicContact CG-CG2 3.52Å; E522-V536 VanDerWaalsContact CG-N 3.31Å; E522-V536 PolarHBondContact OE1-N 2.88Å; E522-K598 WeakPolarHBondContact OE1-CE 3.33Å; E522-K598 IonicContact OE1-NZ 2.72Å; E522-K598 PolarHBondContact OE1-NZ 2.84Å; E522-K598 IonicContact OE2-NZ 3.12Å
523G74.2Confident78.3Confident12 Ų1241.2 Ų41.212%0.12421%0.21CC..Hα-helixtrans-63.6-34.7-179.500000112.8T519 E520 V521 R527T519-G523 PolarHBondContact O-N 3.43Å; E520-G523 PolarHBondContact O-N 3.39Å; V521-G523 PolarHBondContact O-N 2.88Å; G523-R527 PolarHBondContact O-N 2.85Å
524T80.1Confident80.3Confident19 Ų1939.7 Ų39.712%0.11719%0.194CC..Hα-helixtrans-72.1-51.7177.6-580000111.4E520 V521 E522 S526 R527 L528 V572 L573E520-T524 WeakPolarHBondContact O-CB 3.49Å; E520-T524 PolarHBondContact O-N 3.42Å; E520-T524 PolarHBondContact O-OG1 3.02Å; V521-T524 PolarHBondContact O-N 2.97Å; E522-T524 VanDerWaalsContact C-N 3.27Å; E522-T524 PolarHBondContact O-N 2.77Å; T524-S526 PolarHBondContact O-N 2.7Å; T524-R527 WeakPolarHBondContact O-CB 3.44Å; T524-R527 PolarHBondContact O-N 2.97Å; T524-L528 HydrophobicContact CG2-CD1 4.45Å; T524-L528 WeakPolarHBondContact O-CG 2.86Å; T524-L528 PolarHBondContact O-N 2.72Å; T524-V572 HydrophobicContact CG2-CB 4.28Å; T524-V572 HydrophobicContact CG2-CG2 3.49Å; T524-V572 VanDerWaalsContact CG2-CG2 3.49Å; T524-L573 HydrophobicContact CG2-CD1 4.21Å; T524-L573 HydrophobicContact CG2-CD2 4.12Å; T524-L573 HydrophobicContact CG2-CG 3.97Å
525L89.3Confident81.8Confident0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-62.1-43.5178.7-68.1177.4000111.9V521 R527 L528 L529 V534 V536 A551 L565 M569 P579V521-L525 HydrophobicContact CG1-CD1 3.74Å; V521-L525 HydrophobicContact CG1-CG 4.07Å; V521-L525 WeakPolarHBondContact O-CB 3.15Å; V521-L525 VanDerWaalsContact O-CG 3.28Å; V521-L525 WeakPolarHBondContact O-CG 3.49Å; V521-L525 PolarHBondContact O-N 3.17Å; L525-R527 PolarHBondContact O-N 2.82Å; L525-L528 PolarHBondContact O-N 2.98Å; L525-L529 HydrophobicContact CB-CD1 4.42Å; L525-L529 VanDerWaalsContact O-CB 3.24Å; L525-L529 WeakPolarHBondContact O-CB 3.37Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 3.37Å; L525-V534 HydrophobicContact CB-CB 4.47Å; L525-V534 HydrophobicContact CB-CG1 3.93Å; L525-V534 HydrophobicContact CB-CG2 4.23Å; L525-V534 HydrophobicContact CD1-CG1 3.93Å; L525-V536 HydrophobicContact CD1-CG2 3.92Å; L525-A551 HydrophobicContact CD1-CB 3.68Å; L525-L565 HydrophobicContact CD2-CD1 4.46Å; L525-M569 HydrophobicContact CD2-CE 4.43Å; L525-M569 HydrophobicContact CD2-CG 3.66Å; L525-M569 HydrophobicContact CD2-SD 3.36Å; L525-M569 WeakPolarHBondContact CD2-SD 3.27Å; L525-P579 HydrophobicContact CD1-CG 3.68Å
526S86.9Confident83.3Confident10 Ų1032.8 Ų32.87%0.0716%0.16CC..Hα-helixtrans-55.7-42.7176.6-173.90000110.6E522 T524 L529 E530 M531 K532E522-S526 WeakPolarHBondContact O-CB 3.47Å; E522-S526 PolarHBondContact O-N 2.65Å; T524-S526 PolarHBondContact O-N 2.7Å; S526-L529 CarbonylContact O-C 3.6Å; S526-L529 PolarHBondContact O-N 2.82Å; S526-E530 PolarHBondContact O-N 3.02Å; S526-M531 WeakPolarHBondContact O-CA 3.22Å; S526-M531 PolarHBondContact O-N 3.17Å; S526-K532 WeakPolarHBondContact CB-O 3.29Å; S526-K532 PolarHBondContact OG-O 3.08Å
527R83.9Confident84.5Confident143 Ų14332.6 Ų32.654%0.5416%0.159SC..Hα-helixtrans-65.7-45.3176.5-167.9-170.7-48.9149.112.8113.2G523 T524 L525 L529 E530G523-R527 PolarHBondContact O-N 2.85Å; T524-R527 WeakPolarHBondContact O-CB 3.44Å; T524-R527 PolarHBondContact O-N 2.97Å; L525-R527 PolarHBondContact O-N 2.82Å; R527-L529 PolarHBondContact O-N 3.18Å; R527-E530 PolarHBondContact O-N 2.71Å
528L86.5Confident85.3Confident43 Ų4332.5 Ų32.523%0.22516%0.16CC..Hα-helixtrans-63.8-28.9178.7-66.9-177000112.4T524 L525 L565 D568 M569 V572T524-L528 HydrophobicContact CG2-CD1 4.45Å; T524-L528 WeakPolarHBondContact O-CG 2.86Å; T524-L528 PolarHBondContact O-N 2.72Å; L525-L528 PolarHBondContact O-N 2.98Å; L528-L565 HydrophobicContact CB-CD1 4.13Å; L528-L565 HydrophobicContact CD1-CD1 4.44Å; L528-D568 HydrophobicContact CD1-CB 4.28Å; L528-D568 HydrophobicContact CD2-CB 3.96Å; L528-M569 HydrophobicContact CD1-CB 4.26Å; L528-M569 HydrophobicContact CD1-CG 3.61Å; L528-V572 HydrophobicContact CD1-CG2 3.97Å
529L91.6Very high85.7Confident9 Ų932.8 Ų32.85%0.04716%0.161CC..THydrogen-bonded Turntrans-99.132.4-178.9-65.5168.4000112.3L525 S526 R527 M531 K532 V534 I553 T560 L565L525-L529 HydrophobicContact CB-CD1 4.42Å; L525-L529 VanDerWaalsContact O-CB 3.24Å; L525-L529 WeakPolarHBondContact O-CB 3.37Å; L525-L529 VanDerWaalsContact O-CG 3.29Å; L525-L529 WeakPolarHBondContact O-CG 3.41Å; L525-L529 PolarHBondContact O-N 3.37Å; S526-L529 CarbonylContact O-C 3.6Å; S526-L529 PolarHBondContact O-N 2.82Å; R527-L529 PolarHBondContact O-N 3.18Å; L529-M531 VanDerWaalsContact C-N 3.27Å; L529-M531 PolarHBondContact O-N 2.83Å; L529-K532 HydrophobicContact CB-CB 4.04Å; L529-K532 HydrophobicContact CB-CD 4.21Å; L529-K532 HydrophobicContact CB-CG 4.39Å; L529-K532 WeakPolarHBondContact O-CB 3.32Å; L529-K532 WeakPolarHBondContact O-CG 3.43Å; L529-K532 PolarHBondContact O-N 3.29Å; L529-K532 VanDerWaalsContact O-N 3.08Å; L529-V534 HydrophobicContact CD1-CG2 4.01Å; L529-I553 HydrophobicContact CD1-CD1 3.71Å; L529-I553 HydrophobicContact CD1-CG1 4.02Å; L529-I553 HydrophobicContact CD1-CG2 3.87Å; L529-T560 HydrophobicContact CD2-CG2 3.4Å; L529-L565 HydrophobicContact CD1-CD1 4.31Å; L529-L565 HydrophobicContact CD2-CD1 3.72Å; L529-L565 HydrophobicContact CD2-CD2 4.03Å; L529-L565 HydrophobicContact CD2-CG 4.34Å; L529-L565 HydrophobicContact CG-CD1 3.84Å
530E88.7Confident86.3Confident155 Ų15537 Ų3772%0.72418%0.178SC*.THydrogen-bonded Turntrans56.141.6173.3-59173-166.600113S526 R527 K532S526-E530 PolarHBondContact O-N 3.02Å; R527-E530 PolarHBondContact O-N 2.71Å; E530-K532 VanDerWaalsContact C-N 3.32Å; E530-K532 PolarHBondContact O-N 2.75Å
531M84.3Confident87Confident45 Ų4531.5 Ų31.522%0.22215%0.152CC..THydrogen-bonded Turntrans62.830.7-179.6-54.5-60.5-67.600114.3R339 N343 I367 S526 L529R339-M531 HydrophobicContact CG-CE 3.68Å; R339-M531 PolarHBondContact NH1-O 3.16Å; N343-M531 WeakPolarHBondContact ND2-CB 3.23Å; N343-M531 PolarHBondContact ND2-O 3.48Å; N343-M531 WeakPolarHBondContact OD1-CB 3.31Å; I367-M531 HydrophobicContact CG2-CE 3.93Å; S526-M531 WeakPolarHBondContact O-CA 3.22Å; S526-M531 PolarHBondContact O-N 3.17Å; L529-M531 VanDerWaalsContact C-N 3.27Å; L529-M531 PolarHBondContact O-N 2.83Å
532K89.3Confident86.9Confident33 Ų3334.9 Ų34.914%0.14317%0.174CC..  trans-59.9153.8166.8-76.4177.5-160-169.60111.6S526 L529 E530 V534 I553 D555 S559 T560S526-K532 WeakPolarHBondContact CB-O 3.29Å; S526-K532 PolarHBondContact OG-O 3.08Å; L529-K532 HydrophobicContact CB-CB 4.04Å; L529-K532 HydrophobicContact CB-CD 4.21Å; L529-K532 HydrophobicContact CB-CG 4.39Å; L529-K532 WeakPolarHBondContact O-CB 3.32Å; L529-K532 WeakPolarHBondContact O-CG 3.43Å; L529-K532 PolarHBondContact O-N 3.29Å; L529-K532 VanDerWaalsContact O-N 3.08Å; E530-K532 VanDerWaalsContact C-N 3.32Å; E530-K532 PolarHBondContact O-N 2.75Å; K532-V534 PolarHBondContact O-N 3.41Å; K532-I553 HydrophobicContact CB-CG2 4.5Å; K532-I553 HydrophobicContact CD-CG2 4.3Å; K532-D555 HydrophobicContact CD-CB 4.32Å; K532-D555 IonicContact NZ-OD1 3.65Å; K532-D555 PolarHBondContact NZ-OD1 3.03Å; K532-D555 IonicContact NZ-OD2 3.57Å; K532-D555 PolarHBondContact NZ-OD2 3.39Å; K532-D555 VanDerWaalsContact NZ-OD2 3.15Å; K532-S559 PolarHBondContact NZ-OG 2.8Å; K532-T560 PolarHBondContact NZ-OG1 2.81Å
533D88.3Confident86Confident23 Ų2339 Ų3912%0.12322%0.219CC..  trans-70.1119.6172.4-85.4-28.1000108.8R339 A554 V588 K590 F596R339-D533 IonicContact CZ-OD1 3.77Å; R339-D533 IonicContact NE-OD1 2.88Å; R339-D533 IonicContact NH2-OD1 3.59Å; R339-D533 PolarHBondContact NH2-OD1 3.26Å; R339-D533 IonicContact NH2-OD2 2.67Å; D533-A554 HydrophobicContact CB-CB 3.74Å; D533-A554 PolarHBondContact O-N 2.73Å; D533-V588 HydrophobicContact CB-CG2 4.42Å; D533-K590 IonicContact OD1-NZ 3.37Å; D533-K590 WeakPolarHBondContact OD2-CE 3.19Å; D533-K590 IonicContact OD2-NZ 2.72Å; D533-K590 PolarHBondContact OD2-NZ 3.41Å; D533-F596 HydrophobicContact CB-CE1 4.03Å; D533-F596 HydrophobicContact CB-CZ 4.09Å; D533-F596 VanDerWaalsContact OD1-CZ 3.26Å; D533-F596 WeakPolarHBondContact OD1-CZ 3.3Å
534V91.6Very high85.9Confident3 Ų340 Ų402%0.01823%0.226CC..EExtended strand (participates in β ladder)trans-129.3133.6-179.3-174.70000109.8L525 L529 K532 V536 A551 A552 I553L525-V534 HydrophobicContact CB-CB 4.47Å; L525-V534 HydrophobicContact CB-CG1 3.93Å; L525-V534 HydrophobicContact CB-CG2 4.23Å; L525-V534 HydrophobicContact CD1-CG1 3.93Å; L529-V534 HydrophobicContact CD1-CG2 4.01Å; K532-V534 PolarHBondContact O-N 3.41Å; V534-V536 HydrophobicContact CG1-CG2 4.09Å; V534-A551 HydrophobicContact CG1-CB 4.26Å; V534-A552 CarbonylContact C-O 3.44Å; V534-A552 WeakPolarHBondContact CA-O 3.38Å; V534-I553 HydrophobicContact CG1-CG1 4.25Å; V534-I553 HydrophobicContact CG2-CG1 4.27Å
535V91.7Very high85.1Confident0 Ų046.4 Ų46.40%026%0.255CS..EExtended strand (participates in β ladder)trans-122.4123.8172.8179.90000109.4Y537 A551 A552 V588 F596 K598 L601V535-Y537 HydrophobicContact CG1-CD1 4.14Å; V535-A551 CarbonylContact O-C 3.44Å; V535-A551 WeakPolarHBondContact O-CA 3.49Å; V535-A552 HydrophobicContact CB-CB 4.42Å; V535-A552 PolarHBondContact N-O 3.38Å; V535-A552 PolarHBondContact O-N 3.35Å; V535-V588 HydrophobicContact CG2-CB 4.49Å; V535-V588 HydrophobicContact CG2-CG1 3.46Å; V535-V588 VanDerWaalsContact CG2-CG1 3.46Å; V535-V588 HydrophobicContact CG2-CG2 4.38Å; V535-F596 HydrophobicContact CG2-CB 3.56Å; V535-F596 HydrophobicContact CG2-CD1 3.8Å; V535-F596 HydrophobicContact CG2-CD2 3.92Å; V535-F596 HydrophobicContact CG2-CE1 4.43Å; V535-F596 HydrophobicContact CG2-CG 3.5Å; V535-F596 VanDerWaalsContact CG2-CG 3.5Å; V535-K598 HydrophobicContact CG1-CB 4.49Å; V535-K598 HydrophobicContact CG1-CD 4.03Å; V535-K598 HydrophobicContact CG1-CG 3.68Å; V535-L601 HydrophobicContact CB-CD1 4.08Å; V535-L601 HydrophobicContact CG1-CD1 3.88Å; V535-L601 HydrophobicContact CG2-CD1 4.44Å
536V91.9Very high84.3Confident0 Ų048 Ų480%027%0.271CS..EExtended strand (participates in β ladder)trans-110139.2178.3-174.30000109.6F509 T518 V521 E522 L525 V534 M550 A551 K598F509-V536 HydrophobicContact CE1-CG1 3.83Å; T518-V536 VanDerWaalsContact CB-O 3.23Å; T518-V536 WeakPolarHBondContact CB-O 3.11Å; T518-V536 HydrophobicContact CG2-CB 4.27Å; T518-V536 HydrophobicContact CG2-CG1 4.07Å; T518-V536 WeakPolarHBondContact CG2-O 3.31Å; V521-V536 HydrophobicContact CB-CB 4.47Å; V521-V536 HydrophobicContact CB-CG1 4.14Å; V521-V536 HydrophobicContact CB-CG2 4.12Å; V521-V536 HydrophobicContact CG1-CG1 4.05Å; V521-V536 HydrophobicContact CG1-CG2 3.84Å; E522-V536 HydrophobicContact CB-CG2 4.32Å; E522-V536 HydrophobicContact CG-CB 3.72Å; E522-V536 HydrophobicContact CG-CG2 3.52Å; E522-V536 VanDerWaalsContact CG-N 3.31Å; E522-V536 PolarHBondContact OE1-N 2.88Å; L525-V536 HydrophobicContact CD1-CG2 3.92Å; V534-V536 HydrophobicContact CG1-CG2 4.09Å; V536-M550 VanDerWaalsContact CA-O 3.29Å; V536-M550 WeakPolarHBondContact CA-O 3.11Å; V536-M550 WeakPolarHBondContact CG1-O 3.26Å; V536-A551 HydrophobicContact CG2-CB 4.06Å; V536-K598 PolarHBondContact O-NZ 2.79Å
537Y90.8Very high84.1Confident0 Ų051.4 Ų51.40%029%0.285CS..EExtended strand (participates in β ladder)trans-154.1159.1179.553.2-83000111.2V535 V539 M550 A552 L601 R602V535-Y537 HydrophobicContact CG1-CD1 4.14Å; Y537-V539 HydrophobicContact CD2-CG1 3.72Å; Y537-V539 HydrophobicContact CE2-CG1 3.55Å; Y537-M550 HydrophobicContact CD2-CB 4.13Å; Y537-M550 HydrophobicContact CE1-CG 4.2Å; Y537-M550 HydrophobicContact CE2-CB 3.86Å; Y537-M550 HydrophobicContact CE2-CG 3.78Å; Y537-M550 HydrophobicContact CE2-SD 3.58Å; Y537-M550 VanDerWaalsContact CE2-SD 3.58Å; Y537-M550 PolarHBondContact N-O 2.73Å; Y537-M550 PolarHBondContact O-N 3.29Å; Y537-M550 VanDerWaalsContact OH-CE 3.31Å; Y537-M550 WeakPolarHBondContact OH-CE 3.49Å; Y537-M550 PolarHBondContact OH-SD 3.21Å; Y537-A552 HydrophobicContact CE1-CB 4Å; Y537-L601 HydrophobicContact CD1-CB 4.29Å; Y537-L601 HydrophobicContact CE1-CB 3.69Å; Y537-L601 HydrophobicContact CE1-CD1 4.26Å; Y537-L601 HydrophobicContact CE1-CG 4.5Å; Y537-L601 HydrophobicContact CE2-CB 4.36Å; Y537-L601 WeakPolarHBondContact CE2-O 3.31Å; Y537-L601 PolarHBondContact OH-O 3.33Å; Y537-R602 HydrophobicContact CD2-CB 4.28Å; Y537-R602 HydrophobicContact CD2-CG 3.53Å; Y537-R602 HydrophobicContact CE2-CG 4.4Å; Y537-R602 HydrophobicContact CG-CG 3.77Å
538G89.4Confident84.4Confident9 Ų944.6 Ų44.69%0.09326%0.259CS..EExtended strand (participates in β ladder)trans-85.9138.6172.600000111.9A548G538-A548 CarbonylContact C-O 3.33Å; G538-A548 WeakPolarHBondContact CA-O 3.49Å
539V91.1Very high84.6Confident6 Ų642.6 Ų42.64%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-119.7141.9171.8-65.50000110.8Y537 K547 A548 M550 F581 F606Y537-V539 HydrophobicContact CD2-CG1 3.72Å; Y537-V539 HydrophobicContact CE2-CG1 3.55Å; V539-K547 CarbonylContact O-C 3.59Å; V539-K547 VanDerWaalsContact O-CA 3.27Å; V539-K547 WeakPolarHBondContact O-CA 3.15Å; V539-A548 HydrophobicContact CG2-CB 4.26Å; V539-A548 WeakPolarHBondContact CG2-O 3.28Å; V539-A548 PolarHBondContact N-O 3.35Å; V539-A548 PolarHBondContact O-N 3.05Å; V539-M550 HydrophobicContact CG1-CB 3.9Å; V539-M550 HydrophobicContact CG1-CG 4.43Å; V539-M550 HydrophobicContact CG1-SD 3.69Å; V539-M550 HydrophobicContact CG2-CB 4.08Å; V539-M550 HydrophobicContact CG2-SD 4.49Å; V539-F581 HydrophobicContact CG2-CD2 3.61Å; V539-F581 HydrophobicContact CG2-CE2 3.76Å; V539-F606 HydrophobicContact CB-CD1 4.01Å; V539-F606 HydrophobicContact CB-CE1 4.39Å; V539-F606 HydrophobicContact CG2-CD1 3.69Å; V539-F606 HydrophobicContact CG2-CE1 4.13Å
540E85.6Confident84.8Confident133 Ų13342.1 Ų42.162%0.62125%0.246SC*.EExtended strand (participates in β ladder)trans-80.8131.2178.7-72.7171.9-160.300110.2K547 F606E540-K547 HydrophobicContact CG-CD 4.17Å; E540-K547 HydrophobicContact CG-CG 3.9Å; E540-K547 WeakPolarHBondContact OE1-CE 3.4Å; E540-K547 IonicContact OE1-NZ 3.06Å; E540-K547 PolarHBondContact OE1-NZ 3.17Å; E540-F606 WeakPolarHBondContact O-CE1 3.13Å
541I83.7Confident85.2Confident6 Ų634.8 Ų34.83%0.03121%0.212CC..  trans-110.7122.3171.2-55.2175.9000107.6W511 G543 A544 A548 F581 F606 I636 L643W511-I541 HydrophobicContact CH2-CD1 3.79Å; W511-I541 HydrophobicContact CZ3-CD1 4.31Å; I541-G543 PolarHBondContact O-N 3.33Å; I541-A544 HydrophobicContact CB-CB 4.02Å; I541-A544 HydrophobicContact CG2-CB 4.45Å; I541-A544 WeakPolarHBondContact O-CB 3.46Å; I541-A544 PolarHBondContact O-N 3.37Å; I541-A548 HydrophobicContact CD1-CB 3.56Å; I541-A548 HydrophobicContact CG1-CB 4.08Å; I541-F581 HydrophobicContact CD1-CE2 3.65Å; I541-F581 HydrophobicContact CD1-CZ 3.75Å; I541-F581 HydrophobicContact CG1-CE2 4.03Å; I541-F581 HydrophobicContact CG1-CZ 4.22Å; I541-F606 HydrophobicContact CG1-CE1 3.96Å; I541-F606 HydrophobicContact CG1-CZ 3.94Å; I541-F606 HydrophobicContact CG2-CZ 4.48Å; I541-I636 HydrophobicContact CG2-CG2 3.88Å; I541-L643 HydrophobicContact CB-CD1 4.43Å; I541-L643 HydrophobicContact CD1-CD1 3.66Å; I541-L643 HydrophobicContact CD1-CD2 4.18Å; I541-L643 HydrophobicContact CG2-CD1 3.79Å
542P79.3Confident85.8Confident74 Ų7432.6 Ų32.648%0.48120%0.201SC..THydrogen-bonded Turntrans-53.4129179-31.340.1000112.5A544 V637P542-A544 VanDerWaalsContact C-N 3.28Å; P542-A544 PolarHBondContact O-N 2.91Å; P542-V637 HydrophobicContact CG-CG1 4.09Å
543G68.3Low86.1Confident95 Ų9531 Ų3198%0.97919%0.194SC*.THydrogen-bonded Turntrans80.2-3.8-179.500000115.7I541I541-G543 PolarHBondContact O-N 3.33Å
544A71.7Confident86.5Confident34 Ų3430.4 Ų30.428%0.28119%0.192SC..SBendtrans-95.9143171.800000111.2W511 I541 P542W511-A544 HydrophobicContact CH2-CB 4.15Å; W511-A544 HydrophobicContact CZ3-CB 4.02Å; I541-A544 HydrophobicContact CB-CB 4.02Å; I541-A544 HydrophobicContact CG2-CB 4.45Å; I541-A544 WeakPolarHBondContact O-CB 3.46Å; I541-A544 PolarHBondContact O-N 3.37Å; P542-A544 VanDerWaalsContact C-N 3.28Å; P542-A544 PolarHBondContact O-N 2.91Å
545E62.5Low86.5Confident153 Ų15330.6 Ų30.672%0.71519%0.193SC*.SBendtrans-79.5126.8173.5-169-178.3173.600110.4
546G73.8Confident86.4Confident33 Ų3335.4 Ų35.434%0.3422%0.224SC..BIsolated β-bridgetrans87-158.5-178.500000114.2R510R510-G546 CarbonylContact O-C 3.59Å; R510-G546 VanDerWaalsContact O-CA 3.28Å; R510-G546 WeakPolarHBondContact O-CA 3.46Å
547K82.9Confident86.3Confident83 Ų8339.3 Ų39.336%0.36125%0.252SS..EExtended strand (participates in β ladder)trans-125.1126.9-179.2-64.7-171.4-175.9-145.70109.7F509 R510 W511 V539 E540F509-K547 HydrophobicContact CB-CB 4.02Å; F509-K547 WeakPolarHBondContact CD2-O 3.23Å; R510-K547 PolarHBondContact O-N 2.83Å; R510-K547 VanDerWaalsContact O-O 3.06Å; W511-K547 VanDerWaalsContact CE3-C 3.5Å; V539-K547 CarbonylContact O-C 3.59Å; V539-K547 VanDerWaalsContact O-CA 3.27Å; V539-K547 WeakPolarHBondContact O-CA 3.15Å; E540-K547 HydrophobicContact CG-CD 4.17Å; E540-K547 HydrophobicContact CG-CG 3.9Å; E540-K547 WeakPolarHBondContact OE1-CE 3.4Å; E540-K547 IonicContact OE1-NZ 3.06Å; E540-K547 PolarHBondContact OE1-NZ 3.17Å
548A88.8Confident86.1Confident0 Ų045.6 Ų45.60%028%0.281CS..EExtended strand (participates in β ladder)trans-73.3144.7176.600000111W511 G538 V539 I541 V580 F581W511-A548 HydrophobicContact CD2-CB 4.02Å; W511-A548 HydrophobicContact CE3-CB 3.76Å; W511-A548 HydrophobicContact CH2-CB 3.78Å; W511-A548 HydrophobicContact CZ2-CB 4.01Å; W511-A548 HydrophobicContact CZ3-CB 3.64Å; G538-A548 CarbonylContact C-O 3.33Å; G538-A548 WeakPolarHBondContact CA-O 3.49Å; V539-A548 HydrophobicContact CG2-CB 4.26Å; V539-A548 WeakPolarHBondContact CG2-O 3.28Å; V539-A548 PolarHBondContact N-O 3.35Å; V539-A548 PolarHBondContact O-N 3.05Å; I541-A548 HydrophobicContact CD1-CB 3.56Å; I541-A548 HydrophobicContact CG1-CB 4.08Å; A548-V580 HydrophobicContact CB-CB 4.1Å; A548-V580 HydrophobicContact CB-CG2 4Å; A548-F581 HydrophobicContact CB-CD2 4.44Å; A548-F581 HydrophobicContact CB-CE2 4.03Å
549G92.2Very high86Confident0 Ų048.6 Ų48.60%030%0.3CS..EExtended strand (participates in β ladder)trans-68.5133.3175.600000111.9F509 P579 V580 F581F509-G549 VanDerWaalsContact CE2-CA 3.42Å; G549-P579 CarbonylContact O-C 3.44Å; G549-P579 WeakPolarHBondContact O-CA 3.41Å; G549-V580 PolarHBondContact O-N 3.16Å; G549-F581 PolarHBondContact O-N 2.76Å; G549-F581 VanDerWaalsContact O-N 3.16Å
550M95.9Very high86.1Confident0 Ų049.5 Ų49.50%031%0.306CS..EExtended strand (participates in β ladder)trans-127.2137.5171.7-178.2162.9-174.200109.9V536 Y537 V539 F581 R583 G605 F606 L615V536-M550 VanDerWaalsContact CA-O 3.29Å; V536-M550 WeakPolarHBondContact CA-O 3.11Å; V536-M550 WeakPolarHBondContact CG1-O 3.26Å; Y537-M550 HydrophobicContact CD2-CB 4.13Å; Y537-M550 HydrophobicContact CE1-CG 4.2Å; Y537-M550 HydrophobicContact CE2-CB 3.86Å; Y537-M550 HydrophobicContact CE2-CG 3.78Å; Y537-M550 HydrophobicContact CE2-SD 3.58Å; Y537-M550 VanDerWaalsContact CE2-SD 3.58Å; Y537-M550 PolarHBondContact N-O 2.73Å; Y537-M550 PolarHBondContact O-N 3.29Å; Y537-M550 VanDerWaalsContact OH-CE 3.31Å; Y537-M550 WeakPolarHBondContact OH-CE 3.49Å; Y537-M550 PolarHBondContact OH-SD 3.21Å; V539-M550 HydrophobicContact CG1-CB 3.9Å; V539-M550 HydrophobicContact CG1-CG 4.43Å; V539-M550 HydrophobicContact CG1-SD 3.69Å; V539-M550 HydrophobicContact CG2-CB 4.08Å; V539-M550 HydrophobicContact CG2-SD 4.49Å; M550-F581 CarbonylContact C-O 3.49Å; M550-F581 VanDerWaalsContact CA-O 3.32Å; M550-F581 WeakPolarHBondContact CA-O 3.42Å; M550-F581 HydrophobicContact CB-CB 4.18Å; M550-F581 HydrophobicContact CE-CB 4.49Å; M550-F581 HydrophobicContact CG-CB 3.87Å; M550-F581 HydrophobicContact SD-CB 4.15Å; M550-R583 HydrophobicContact CE-CB 3.5Å; M550-R583 HydrophobicContact CE-CG 4.34Å; M550-G605 WeakPolarHBondContact CE-O 3.29Å; M550-G605 VanDerWaalsContact SD-O 3.38Å; M550-F606 HydrophobicContact CE-CB 4.36Å; M550-F606 HydrophobicContact SD-CB 4.11Å; M550-L615 HydrophobicContact CE-CD2 3.86Å
551A96.6Very high86.5Confident0 Ų047.6 Ų47.60%030%0.3CS..EExtended strand (participates in β ladder)trans-119.6120.1174.900000111.3L525 V534 V535 V536 I553 P579 F581 L582 R583L525-A551 HydrophobicContact CD1-CB 3.68Å; V534-A551 HydrophobicContact CG1-CB 4.26Å; V535-A551 CarbonylContact O-C 3.44Å; V535-A551 WeakPolarHBondContact O-CA 3.49Å; V536-A551 HydrophobicContact CG2-CB 4.06Å; A551-I553 HydrophobicContact CB-CG1 4.46Å; A551-P579 HydrophobicContact CB-CB 3.97Å; A551-P579 HydrophobicContact CB-CG 3.77Å; A551-F581 PolarHBondContact N-O 3.19Å; A551-L582 HydrophobicContact CB-CD2 3.86Å; A551-L582 CarbonylContact O-C 3.54Å; A551-L582 WeakPolarHBondContact O-CA 3.29Å; A551-R583 PolarHBondContact O-N 2.91Å
552A96.3Very high87.1Confident0 Ų048.8 Ų48.80%031%0.307CS..EExtended strand (participates in β ladder)trans-90.1121.5167.900000109.2V534 V535 Y537 R583 L585 L601V534-A552 CarbonylContact C-O 3.44Å; V534-A552 WeakPolarHBondContact CA-O 3.38Å; V535-A552 HydrophobicContact CB-CB 4.42Å; V535-A552 PolarHBondContact N-O 3.38Å; V535-A552 PolarHBondContact O-N 3.35Å; Y537-A552 HydrophobicContact CE1-CB 4Å; A552-R583 CarbonylContact C-O 3.49Å; A552-R583 VanDerWaalsContact CA-O 3.31Å; A552-R583 WeakPolarHBondContact CA-O 3.36Å; A552-R583 HydrophobicContact CB-CB 4.44Å; A552-L585 HydrophobicContact CB-CD2 3.77Å; A552-L601 HydrophobicContact CB-CD1 4.03Å; A552-L601 HydrophobicContact CB-CD2 4.19Å
553I96.4Very high87.8Confident0 Ų049.1 Ų49.10%030%0.302CS..EExtended strand (participates in β ladder)trans-120.5118-171.7-60163.7000109L529 K532 V534 A551 D555 L582 R583 F584 L585L529-I553 HydrophobicContact CD1-CD1 3.71Å; L529-I553 HydrophobicContact CD1-CG1 4.02Å; L529-I553 HydrophobicContact CD1-CG2 3.87Å; K532-I553 HydrophobicContact CB-CG2 4.5Å; K532-I553 HydrophobicContact CD-CG2 4.3Å; V534-I553 HydrophobicContact CG1-CG1 4.25Å; V534-I553 HydrophobicContact CG2-CG1 4.27Å; A551-I553 HydrophobicContact CB-CG1 4.46Å; I553-D555 HydrophobicContact CG2-CB 4.45Å; I553-D555 PolarHBondContact O-N 3.27Å; I553-L582 HydrophobicContact CD1-CD2 4.09Å; I553-R583 PolarHBondContact N-O 3.48Å; I553-F584 HydrophobicContact CB-CD1 3.98Å; I553-F584 HydrophobicContact CB-CE1 3.93Å; I553-F584 HydrophobicContact CD1-CE1 3.9Å; I553-F584 HydrophobicContact CD1-CE2 4.38Å; I553-F584 HydrophobicContact CD1-CZ 3.76Å; I553-F584 HydrophobicContact CG2-CD1 4.03Å; I553-F584 HydrophobicContact CG2-CE1 3.79Å; I553-F584 WeakPolarHBondContact O-CA 3.24Å; I553-L585 WeakPolarHBondContact O-CD2 3.39Å; I553-L585 PolarHBondContact O-N 2.95Å; I553-L585 VanDerWaalsContact O-N 3.12Å
554A94.9Very high89Confident9 Ų949.4 Ų49.47%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-75.9107.217400000110.4D533 L585 V588D533-A554 HydrophobicContact CB-CB 3.74Å; D533-A554 PolarHBondContact O-N 2.73Å; A554-L585 CarbonylContact C-O 3.56Å; A554-L585 VanDerWaalsContact CA-O 3.27Å; A554-L585 WeakPolarHBondContact CA-O 3.3Å; A554-V588 HydrophobicContact CB-CG2 3.89Å
555D93.6Very high90Very high8 Ų848.1 Ų48.14%0.04326%0.264CS..  trans-137.571-177-169.814.1000111.3K532 I553 S557 Q558 S559 T560 F584 L585K532-D555 HydrophobicContact CD-CB 4.32Å; K532-D555 IonicContact NZ-OD1 3.65Å; K532-D555 PolarHBondContact NZ-OD1 3.03Å; K532-D555 IonicContact NZ-OD2 3.57Å; K532-D555 PolarHBondContact NZ-OD2 3.39Å; K532-D555 VanDerWaalsContact NZ-OD2 3.15Å; I553-D555 HydrophobicContact CG2-CB 4.45Å; I553-D555 PolarHBondContact O-N 3.27Å; D555-S557 PolarHBondContact O-N 3.04Å; D555-S557 VanDerWaalsContact O-N 3.16Å; D555-S557 PolarHBondContact OD1-OG 3.02Å; D555-Q558 PolarHBondContact O-N 2.91Å; D555-Q558 PolarHBondContact OD1-N 2.86Å; D555-Q558 WeakPolarHBondContact OD2-CA 3.47Å; D555-S559 PolarHBondContact OD1-N 3.47Å; D555-S559 PolarHBondContact OD1-OG 3.22Å; D555-S559 PolarHBondContact OD2-N 3.24Å; D555-T560 VanDerWaalsContact OD2-CB 3.3Å; D555-T560 WeakPolarHBondContact OD2-CB 3.45Å; D555-T560 PolarHBondContact OD2-N 2.86Å; D555-T560 PolarHBondContact OD2-OG1 3.15Å; D555-F584 HydrophobicContact CB-CD1 3.71Å; D555-F584 HydrophobicContact CB-CE1 4.27Å; D555-L585 PolarHBondContact N-O 2.92Å
556P89.2Confident91.4Very high101 Ų10141.3 Ų41.366%0.65623%0.232SC*.THydrogen-bonded Turntrans-61.7-27-177.725.6-34.2000112.5Q558 P586P556-Q558 VanDerWaalsContact C-N 3.34Å; P556-P586 WeakPolarHBondContact CD-O 3.47Å
557S88.3Confident92.2Very high82 Ų8245.7 Ų45.757%0.57324%0.242SC*.THydrogen-bonded Turntrans-81-8.6176.549.10000114.6D555 S559D555-S557 PolarHBondContact O-N 3.04Å; D555-S557 VanDerWaalsContact O-N 3.16Å; D555-S557 PolarHBondContact OD1-OG 3.02Å; S557-S559 PolarHBondContact O-N 2.58Å; S557-S559 VanDerWaalsContact O-N 3.15Å; S557-S559 PolarHBondContact OG-OG 3.28Å
558Q86.8Confident92.4Very high131 Ų13143.5 Ų43.561%0.61223%0.234SC*.  trans47.239.9-172.4-56.5-175.128.700112.9D555 P556D555-Q558 PolarHBondContact O-N 2.91Å; D555-Q558 PolarHBondContact OD1-N 2.86Å; D555-Q558 WeakPolarHBondContact OD2-CA 3.47Å; P556-Q558 VanDerWaalsContact C-N 3.34Å
559S89.1Confident92.4Very high72 Ų7243.5 Ų43.550%0.50323%0.234SC..  trans-93.3-4.3-170.558.30000113.5K532 D555 S557 D561K532-S559 PolarHBondContact NZ-OG 2.8Å; D555-S559 PolarHBondContact OD1-N 3.47Å; D555-S559 PolarHBondContact OD1-OG 3.22Å; D555-S559 PolarHBondContact OD2-N 3.24Å; S557-S559 PolarHBondContact O-N 2.58Å; S557-S559 VanDerWaalsContact O-N 3.15Å; S557-S559 PolarHBondContact OG-OG 3.28Å; S559-D561 PolarHBondContact O-N 3.05Å
560T93.3Very high92.1Very high25 Ų2547.8 Ų47.815%0.15325%0.254CS..  trans-71.3119.8-174.1-56.10000112.4L529 K532 D555 L562 L565 F584L529-T560 HydrophobicContact CD2-CG2 3.4Å; K532-T560 PolarHBondContact NZ-OG1 2.81Å; D555-T560 VanDerWaalsContact OD2-CB 3.3Å; D555-T560 WeakPolarHBondContact OD2-CB 3.45Å; D555-T560 PolarHBondContact OD2-N 2.86Å; D555-T560 PolarHBondContact OD2-OG1 3.15Å; T560-L562 HydrophobicContact CG2-CD2 4.4Å; T560-L562 PolarHBondContact O-N 2.98Å; T560-L565 HydrophobicContact CG2-CD2 4.17Å; T560-F584 HydrophobicContact CG2-CE1 3.86Å; T560-F584 HydrophobicContact CG2-CZ 3.84Å; T560-F584 WeakPolarHBondContact OG1-CE1 3.46Å
561D94Very high91.3Very high93 Ų9355.1 Ų55.150%0.49729%0.286SS..  trans-80.4107.7168.3-178.6-19.7000110S559 E563 K564 L565S559-D561 PolarHBondContact O-N 3.05Å; D561-E563 PolarHBondContact OD1-N 3.16Å; D561-K564 HydrophobicContact CB-CB 3.92Å; D561-K564 VanDerWaalsContact CG-CB 3.5Å; D561-K564 PolarHBondContact OD1-N 2.85Å; D561-L565 VanDerWaalsContact O-CB 3.27Å; D561-L565 WeakPolarHBondContact O-CB 3.31Å; D561-L565 PolarHBondContact O-N 3.15Å
562L94.9Very high90.2Very high32 Ų3259 Ų5917%0.16831%0.31CS..Hα-helixtrans-68.9-33.4-177.2-64.9177.2000113.5T560 F566 L582 F584 F616T560-L562 HydrophobicContact CG2-CD2 4.4Å; T560-L562 PolarHBondContact O-N 2.98Å; L562-F566 WeakPolarHBondContact O-CB 3.32Å; L562-F566 PolarHBondContact O-N 3.32Å; L562-L582 HydrophobicContact CD2-CD1 3.96Å; L562-F584 HydrophobicContact CD2-CE2 3.71Å; L562-F584 HydrophobicContact CD2-CZ 3.66Å; L562-F616 HydrophobicContact CD1-CD1 3.48Å; L562-F616 VanDerWaalsContact CD1-CD1 3.48Å; L562-F616 HydrophobicContact CD1-CD2 4.47Å; L562-F616 HydrophobicContact CD1-CE1 3.37Å; L562-F616 HydrophobicContact CD1-CE2 4.37Å; L562-F616 HydrophobicContact CD1-CG 4.07Å; L562-F616 HydrophobicContact CD1-CZ 3.84Å
563E93.4Very high89.2Confident81 Ų8159.3 Ų59.338%0.37931%0.311SS..Hα-helixtrans-71.1-43.7179.6-71.9-71164.400109.9D561 K567 R624D561-E563 PolarHBondContact OD1-N 3.16Å; E563-K567 WeakPolarHBondContact O-CG 3.36Å; E563-K567 PolarHBondContact O-N 2.78Å; E563-K567 VanDerWaalsContact O-N 3.14Å; E563-R624 WeakPolarHBondContact OE1-CB 3.47Å
564K93.8Very high88.2Confident101 Ų10161.4 Ų61.444%0.43933%0.325SS..Hα-helixtrans-63.3-47.3172.2-176.8-178173.6-129.70111.2D561 F566 K567 D568D561-K564 HydrophobicContact CB-CB 3.92Å; D561-K564 VanDerWaalsContact CG-CB 3.5Å; D561-K564 PolarHBondContact OD1-N 2.85Å; K564-F566 VanDerWaalsContact C-N 3.34Å; K564-F566 PolarHBondContact O-N 3.12Å; K564-K567 PolarHBondContact O-N 2.81Å; K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 PolarHBondContact O-N 3.14Å
565L93.4Very high87.5Confident6 Ų665.5 Ų65.53%0.03135%0.351CS..Hα-helixtrans-56.4-47.5179.4176.862.5000111.5L525 L528 L529 T560 D561 D568 M569 L582L525-L565 HydrophobicContact CD2-CD1 4.46Å; L528-L565 HydrophobicContact CB-CD1 4.13Å; L528-L565 HydrophobicContact CD1-CD1 4.44Å; L529-L565 HydrophobicContact CD1-CD1 4.31Å; L529-L565 HydrophobicContact CD2-CD1 3.72Å; L529-L565 HydrophobicContact CD2-CD2 4.03Å; L529-L565 HydrophobicContact CD2-CG 4.34Å; L529-L565 HydrophobicContact CG-CD1 3.84Å; T560-L565 HydrophobicContact CG2-CD2 4.17Å; D561-L565 VanDerWaalsContact O-CB 3.27Å; D561-L565 WeakPolarHBondContact O-CB 3.31Å; D561-L565 PolarHBondContact O-N 3.15Å; L565-D568 PolarHBondContact O-N 2.93Å; L565-M569 HydrophobicContact CD1-CG 4.1Å; L565-M569 HydrophobicContact CD1-SD 4.05Å; L565-M569 HydrophobicContact CD2-SD 4.45Å; L565-M569 HydrophobicContact CG-CG 4.41Å; L565-M569 HydrophobicContact CG-SD 3.9Å; L565-M569 VanDerWaalsContact O-CB 3.31Å; L565-M569 WeakPolarHBondContact O-CB 3.3Å; L565-M569 VanDerWaalsContact O-CG 3.29Å; L565-M569 WeakPolarHBondContact O-CG 3.17Å; L565-M569 PolarHBondContact O-N 2.9Å; L565-L582 HydrophobicContact CD2-CD1 4.03Å
566F92Very high86.6Confident11 Ų1169.1 Ų69.15%0.04836%0.364CS..Hα-helixtrans-59.9-52.4177.7176.2-100000111.2L562 K564 D568 M569 E570 L618 G623 Y625L562-F566 WeakPolarHBondContact O-CB 3.32Å; L562-F566 PolarHBondContact O-N 3.32Å; K564-F566 VanDerWaalsContact C-N 3.34Å; K564-F566 PolarHBondContact O-N 3.12Å; F566-D568 VanDerWaalsContact C-N 3.27Å; F566-D568 PolarHBondContact O-N 2.81Å; F566-M569 WeakPolarHBondContact O-CB 3.26Å; F566-M569 PolarHBondContact O-N 3.43Å; F566-M569 VanDerWaalsContact O-N 3.16Å; F566-E570 HydrophobicContact CD1-CG 4.11Å; F566-E570 HydrophobicContact CD2-CG 4.44Å; F566-E570 HydrophobicContact CE1-CG 3.66Å; F566-E570 WeakPolarHBondContact CE1-OE2 3.46Å; F566-E570 HydrophobicContact CE2-CG 4.01Å; F566-E570 HydrophobicContact CG-CG 4.49Å; F566-E570 HydrophobicContact CZ-CG 3.61Å; F566-E570 VanDerWaalsContact O-CG 3.29Å; F566-E570 WeakPolarHBondContact O-CG 3.49Å; F566-E570 PolarHBondContact O-N 2.72Å; F566-L618 HydrophobicContact CD2-CD1 3.58Å; F566-L618 HydrophobicContact CE2-CD1 3.49Å; F566-L618 VanDerWaalsContact CE2-CD1 3.49Å; F566-L618 HydrophobicContact CE2-CD2 4.34Å; F566-L618 HydrophobicContact CZ-CD1 4.49Å; F566-G623 WeakPolarHBondContact CD1-O 3.25Å; F566-G623 VanDerWaalsContact CE1-CA 3.46Å; F566-G623 WeakPolarHBondContact CE1-O 3.2Å; F566-Y625 HydrophobicContact CB-CD2 4.27Å; F566-Y625 HydrophobicContact CB-CE2 4.27Å; F566-Y625 HydrophobicContact CD2-CE2 4.24Å
567K90.4Very high86.2Confident125 Ų12564.6 Ų64.654%0.54334%0.336SS..Hα-helixtrans-58.3-38179.7-74.9176.9-178.51730113.1E563 K564 K571E563-K567 WeakPolarHBondContact O-CG 3.36Å; E563-K567 PolarHBondContact O-N 2.78Å; E563-K567 VanDerWaalsContact O-N 3.14Å; K564-K567 PolarHBondContact O-N 2.81Å; K567-K571 WeakPolarHBondContact O-CE 3.47Å; K567-K571 WeakPolarHBondContact O-CG 3.18Å
568D87.9Confident86.3Confident37 Ų3762 Ų6220%0.19831%0.313CS..Hα-helixtrans-76.2-37.4178.6-72.5-21.7000111.9L528 K564 L565 F566 E570 K571 V572L528-D568 HydrophobicContact CD1-CB 4.28Å; L528-D568 HydrophobicContact CD2-CB 3.96Å; K564-D568 WeakPolarHBondContact O-CB 3.4Å; K564-D568 PolarHBondContact O-N 3.14Å; L565-D568 PolarHBondContact O-N 2.93Å; F566-D568 VanDerWaalsContact C-N 3.27Å; F566-D568 PolarHBondContact O-N 2.81Å; D568-E570 VanDerWaalsContact C-N 3.3Å; D568-E570 PolarHBondContact O-N 2.85Å; D568-K571 PolarHBondContact O-N 3.11Å; D568-K571 IonicContact OD1-NZ 3.69Å; D568-K571 PolarHBondContact OD1-NZ 2.83Å; D568-V572 WeakPolarHBondContact O-CG2 3.27Å
569M88.8Confident86.7Confident0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-60.2-38.9170.9-81.8174.640.300112.2L525 L528 L565 F566 K571 V572 L573 R578 Y625L525-M569 HydrophobicContact CD2-CE 4.43Å; L525-M569 HydrophobicContact CD2-CG 3.66Å; L525-M569 HydrophobicContact CD2-SD 3.36Å; L525-M569 WeakPolarHBondContact CD2-SD 3.27Å; L528-M569 HydrophobicContact CD1-CB 4.26Å; L528-M569 HydrophobicContact CD1-CG 3.61Å; L565-M569 HydrophobicContact CD1-CG 4.1Å; L565-M569 HydrophobicContact CD1-SD 4.05Å; L565-M569 HydrophobicContact CD2-SD 4.45Å; L565-M569 HydrophobicContact CG-CG 4.41Å; L565-M569 HydrophobicContact CG-SD 3.9Å; L565-M569 VanDerWaalsContact O-CB 3.31Å; L565-M569 WeakPolarHBondContact O-CB 3.3Å; L565-M569 VanDerWaalsContact O-CG 3.29Å; L565-M569 WeakPolarHBondContact O-CG 3.17Å; L565-M569 PolarHBondContact O-N 2.9Å; F566-M569 WeakPolarHBondContact O-CB 3.26Å; F566-M569 PolarHBondContact O-N 3.43Å; F566-M569 VanDerWaalsContact O-N 3.16Å; M569-K571 PolarHBondContact O-N 3.11Å; M569-V572 PolarHBondContact O-N 2.97Å; M569-V572 VanDerWaalsContact O-N 3.11Å; M569-L573 PolarHBondContact O-N 3.19Å; M569-R578 HydrophobicContact CE-CB 3.72Å; M569-R578 HydrophobicContact CE-CG 3.91Å; M569-Y625 WeakPolarHBondContact CE-OH 3.33Å
570E85Confident87Confident89 Ų8952.8 Ų52.842%0.41626%0.262SS..Hα-helixtrans-59.3-32.7-178.8-67.8-148.690.200113.3F566 D568 V572 R578F566-E570 HydrophobicContact CD1-CG 4.11Å; F566-E570 HydrophobicContact CD2-CG 4.44Å; F566-E570 HydrophobicContact CE1-CG 3.66Å; F566-E570 WeakPolarHBondContact CE1-OE2 3.46Å; F566-E570 HydrophobicContact CE2-CG 4.01Å; F566-E570 HydrophobicContact CG-CG 4.49Å; F566-E570 HydrophobicContact CZ-CG 3.61Å; F566-E570 VanDerWaalsContact O-CG 3.29Å; F566-E570 WeakPolarHBondContact O-CG 3.49Å; F566-E570 PolarHBondContact O-N 2.72Å; D568-E570 VanDerWaalsContact C-N 3.3Å; D568-E570 PolarHBondContact O-N 2.85Å; E570-V572 VanDerWaalsContact C-N 3.31Å; E570-R578 VanDerWaalsContact CA-NH2 3.31Å; E570-R578 PolarHBondContact O-NH2 2.61Å; E570-R578 IonicContact OE1-CZ 3.37Å; E570-R578 IonicContact OE1-NH1 3.68Å; E570-R578 PolarHBondContact OE1-NH1 3.2Å; E570-R578 IonicContact OE1-NH2 3.73Å
571K79Confident87.2Confident155 Ų15551.6 Ų51.667%0.67426%0.255SS*.Hα-helixtrans-73.9-22.8-178.7-61.6167-167.6162.30112.9K567 D568 M569K567-K571 WeakPolarHBondContact O-CE 3.47Å; K567-K571 WeakPolarHBondContact O-CG 3.18Å; D568-K571 PolarHBondContact O-N 3.11Å; D568-K571 IonicContact OD1-NZ 3.69Å; D568-K571 PolarHBondContact OD1-NZ 2.83Å; M569-K571 PolarHBondContact O-N 3.11Å
572V74.2Confident87.3Confident81 Ų8147.2 Ų47.249%0.49123%0.232SC..Hα-helixtrans-124.5-18.1-167.6-58.80000114.4T524 L528 D568 M569 E570T524-V572 HydrophobicContact CG2-CB 4.28Å; T524-V572 HydrophobicContact CG2-CG2 3.49Å; T524-V572 VanDerWaalsContact CG2-CG2 3.49Å; L528-V572 HydrophobicContact CD1-CG2 3.97Å; D568-V572 WeakPolarHBondContact O-CG2 3.27Å; M569-V572 PolarHBondContact O-N 2.97Å; M569-V572 VanDerWaalsContact O-N 3.11Å; E570-V572 VanDerWaalsContact C-N 3.31Å
573L75.7Confident87.4Confident6 Ų646.7 Ų46.73%0.03123%0.227CC..SBendtrans-121.5134.9177.3-68.9175.3000111.7V521 T524 M569 R578V521-L573 HydrophobicContact CG1-CD1 4.09Å; V521-L573 HydrophobicContact CG2-CD2 4.49Å; T524-L573 HydrophobicContact CG2-CD1 4.21Å; T524-L573 HydrophobicContact CG2-CD2 4.12Å; T524-L573 HydrophobicContact CG2-CG 3.97Å; M569-L573 PolarHBondContact O-N 3.19Å; L573-R578 HydrophobicContact CB-CG 3.99Å; L573-R578 PolarHBondContact O-NE 2.98Å; L573-R578 PolarHBondContact O-NH2 3.22Å
574P73.8Confident87.5Confident45 Ų4544 Ų4429%0.29221%0.214SC..  trans-67155.1172.230-35000111Y576 A577 R578P574-Y576 VanDerWaalsContact C-N 3.27Å; P574-Y576 HydrophobicContact CB-CD1 4.01Å; P574-Y576 HydrophobicContact CB-CE1 3.55Å; P574-Y576 HydrophobicContact CB-CE2 4.36Å; P574-Y576 HydrophobicContact CG-CD1 4.33Å; P574-Y576 HydrophobicContact CG-CD2 4.28Å; P574-Y576 HydrophobicContact CG-CE1 3.75Å; P574-Y576 HydrophobicContact CG-CE2 3.65Å; P574-Y576 PolarHBondContact O-N 3.39Å; P574-Y576 VanDerWaalsContact O-N 3.11Å; P574-A577 HydrophobicContact CG-CB 3.87Å; P574-A577 PolarHBondContact O-N 3.33Å; P574-R578 PolarHBondContact O-N 3.43Å
575P81.3Confident87.5Confident95 Ų9539.9 Ų39.962%0.61720%0.198SC*.G310 helixtrans-51.3-39.5-174.3-30.336.1000115.3A577 R578P575-A577 VanDerWaalsContact C-N 3.3Å; P575-A577 PolarHBondContact O-N 3.42Å; P575-R578 PolarHBondContact O-N 3.48Å
576Y75Confident87.3Confident84 Ų8443.7 Ų43.733%0.32922%0.223SC..G310 helixtrans-70.6-21.3-178.959.5-103.2000114.1E514 V516 P574E514-Y576 HydrophobicContact CB-CD1 4.08Å; E514-Y576 HydrophobicContact CB-CD2 3.55Å; E514-Y576 HydrophobicContact CB-CE1 4.46Å; E514-Y576 HydrophobicContact CB-CE2 4.01Å; E514-Y576 HydrophobicContact CB-CG 3.6Å; E514-Y576 HydrophobicContact CG-CD1 3.72Å; E514-Y576 HydrophobicContact CG-CD2 4.15Å; E514-Y576 HydrophobicContact CG-CE1 4.08Å; E514-Y576 HydrophobicContact CG-CG 3.76Å; V516-Y576 HydrophobicContact CG2-CD2 3.9Å; V516-Y576 HydrophobicContact CG2-CE2 4.48Å; P574-Y576 VanDerWaalsContact C-N 3.27Å; P574-Y576 HydrophobicContact CB-CD1 4.01Å; P574-Y576 HydrophobicContact CB-CE1 3.55Å; P574-Y576 HydrophobicContact CB-CE2 4.36Å; P574-Y576 HydrophobicContact CG-CD1 4.33Å; P574-Y576 HydrophobicContact CG-CD2 4.28Å; P574-Y576 HydrophobicContact CG-CE1 3.75Å; P574-Y576 HydrophobicContact CG-CE2 3.65Å; P574-Y576 PolarHBondContact O-N 3.39Å; P574-Y576 VanDerWaalsContact O-N 3.11Å
577A79.1Confident87.1Confident6 Ų649.9 Ų49.95%0.0525%0.251CS..G310 helixtrans-96-9.6-178.700000113.4V516 V521 P574 P575V516-A577 HydrophobicContact CG1-CB 3.85Å; V516-A577 HydrophobicContact CG2-CB 4.23Å; V521-A577 HydrophobicContact CG2-CB 4.28Å; P574-A577 HydrophobicContact CG-CB 3.87Å; P574-A577 PolarHBondContact O-N 3.33Å; P575-A577 VanDerWaalsContact C-N 3.3Å; P575-A577 PolarHBondContact O-N 3.42Å
578R91.6Very high86.9Confident28 Ų2844.2 Ų44.211%0.10623%0.227CC..SBendtrans-71.8128177.2-63.3171.9-164.6178-1.6108.8M569 E570 L573 P574 P575 V580 L618M569-R578 HydrophobicContact CE-CB 3.72Å; M569-R578 HydrophobicContact CE-CG 3.91Å; E570-R578 VanDerWaalsContact CA-NH2 3.31Å; E570-R578 PolarHBondContact O-NH2 2.61Å; E570-R578 IonicContact OE1-CZ 3.37Å; E570-R578 IonicContact OE1-NH1 3.68Å; E570-R578 PolarHBondContact OE1-NH1 3.2Å; E570-R578 IonicContact OE1-NH2 3.73Å; L573-R578 HydrophobicContact CB-CG 3.99Å; L573-R578 PolarHBondContact O-NE 2.98Å; L573-R578 PolarHBondContact O-NH2 3.22Å; P574-R578 PolarHBondContact O-N 3.43Å; P575-R578 PolarHBondContact O-N 3.48Å; R578-V580 PolarHBondContact O-N 3.39Å; R578-L618 HydrophobicContact CB-CD2 4.45Å
579P95.1Very high86.3Confident0 Ų046.3 Ų46.30%024%0.239CC..  trans-57.3125.1176.1-22.229.1000111.4V521 L525 G549 A551 F581 L582 Y625V521-P579 HydrophobicContact CG1-CG 4.05Å; L525-P579 HydrophobicContact CD1-CG 3.68Å; G549-P579 CarbonylContact O-C 3.44Å; G549-P579 WeakPolarHBondContact O-CA 3.41Å; A551-P579 HydrophobicContact CB-CB 3.97Å; A551-P579 HydrophobicContact CB-CG 3.77Å; P579-F581 VanDerWaalsContact C-N 3.28Å; P579-L582 HydrophobicContact CB-CD2 3.96Å; P579-L582 HydrophobicContact CG-CD2 4.39Å; P579-Y625 WeakPolarHBondContact O-CE1 3.46Å; P579-Y625 PolarHBondContact O-OH 2.81Å
580V95.1Very high85.5Confident8 Ų849.4 Ų49.45%0.04825%0.252CS..SBendtrans-70.2-32.4173.3179.60000110.1W511 A548 G549 R578 F617 L618 L643W511-V580 HydrophobicContact CZ2-CG2 4.05Å; A548-V580 HydrophobicContact CB-CB 4.1Å; A548-V580 HydrophobicContact CB-CG2 4Å; G549-V580 PolarHBondContact O-N 3.16Å; R578-V580 PolarHBondContact O-N 3.39Å; V580-F617 HydrophobicContact CG1-CD2 3.87Å; V580-F617 HydrophobicContact CG1-CE2 3.56Å; V580-F617 CarbonylContact O-C 3.58Å; V580-F617 WeakPolarHBondContact O-CA 3.48Å; V580-L618 PolarHBondContact O-N 2.81Å; V580-L643 HydrophobicContact CG1-CD2 4.45Å
581F97Very high84.5Confident1 Ų146.7 Ų46.70%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-120.7142178.1-54-78.3000112V539 I541 A548 G549 M550 A551 P579 F606 F616 F617 L628 I636V539-F581 HydrophobicContact CG2-CD2 3.61Å; V539-F581 HydrophobicContact CG2-CE2 3.76Å; I541-F581 HydrophobicContact CD1-CE2 3.65Å; I541-F581 HydrophobicContact CD1-CZ 3.75Å; I541-F581 HydrophobicContact CG1-CE2 4.03Å; I541-F581 HydrophobicContact CG1-CZ 4.22Å; A548-F581 HydrophobicContact CB-CD2 4.44Å; A548-F581 HydrophobicContact CB-CE2 4.03Å; G549-F581 PolarHBondContact O-N 2.76Å; G549-F581 VanDerWaalsContact O-N 3.16Å; M550-F581 CarbonylContact C-O 3.49Å; M550-F581 VanDerWaalsContact CA-O 3.32Å; M550-F581 WeakPolarHBondContact CA-O 3.42Å; M550-F581 HydrophobicContact CB-CB 4.18Å; M550-F581 HydrophobicContact CE-CB 4.49Å; M550-F581 HydrophobicContact CG-CB 3.87Å; M550-F581 HydrophobicContact SD-CB 4.15Å; A551-F581 PolarHBondContact N-O 3.19Å; P579-F581 VanDerWaalsContact C-N 3.28Å; F581-F606 HydrophobicContact CB-CB 4.36Å; F581-F606 HydrophobicContact CD1-CB 3.86Å; F581-F606 HydrophobicContact CD1-CD2 4.06Å; F581-F606 HydrophobicContact CD1-CG 4.01Å; F581-F606 HydrophobicContact CD2-CB 4.22Å; F581-F606 HydrophobicContact CD2-CD1 4.17Å; F581-F606 HydrophobicContact CD2-CG 4.13Å; F581-F606 HydrophobicContact CE1-CB 4.13Å; F581-F606 HydrophobicContact CE1-CD1 4.46Å; F581-F606 AromaticContact CE1-CD2 3.45Å; F581-F606 HydrophobicContact CE1-CD2 3.45Å; F581-F606 VanDerWaalsContact CE1-CD2 3.45Å; F581-F606 AromaticContact CE1-CE2 3.95Å; F581-F606 HydrophobicContact CE1-CE2 3.95Å; F581-F606 AromaticContact CE1-CG 3.76Å; F581-F606 HydrophobicContact CE1-CG 3.76Å; F581-F606 HydrophobicContact CE2-CB 4.46Å; F581-F606 AromaticContact CE2-CD1 3.79Å; F581-F606 HydrophobicContact CE2-CD1 3.79Å; F581-F606 HydrophobicContact CE2-CD2 4.19Å; F581-F606 HydrophobicContact CE2-CE1 4.03Å; F581-F606 HydrophobicContact CE2-CE2 4.42Å; F581-F606 AromaticContact CE2-CG 3.88Å; F581-F606 HydrophobicContact CE2-CG 3.88Å; F581-F606 HydrophobicContact CE2-CZ 4.35Å; F581-F606 HydrophobicContact CG-CB 3.89Å; F581-F606 HydrophobicContact CG-CG 4.17Å; F581-F606 HydrophobicContact CZ-CB 4.43Å; F581-F606 AromaticContact CZ-CD1 3.96Å; F581-F606 HydrophobicContact CZ-CD1 3.96Å; F581-F606 AromaticContact CZ-CD2 3.53Å; F581-F606 HydrophobicContact CZ-CD2 3.53Å; F581-F606 HydrophobicContact CZ-CE1 4.06Å; F581-F606 AromaticContact CZ-CE2 3.66Å; F581-F606 HydrophobicContact CZ-CE2 3.66Å; F581-F606 AromaticContact CZ-CG 3.7Å; F581-F606 HydrophobicContact CZ-CG 3.7Å; F581-F606 AromaticContact CZ-CZ 3.93Å; F581-F606 HydrophobicContact CZ-CZ 3.93Å; F581-F616 CarbonylContact C-O 3.46Å; F581-F616 VanDerWaalsContact CA-O 3.25Å; F581-F616 WeakPolarHBondContact CA-O 3.29Å; F581-F617 HydrophobicContact CD1-CB 4.41Å; F581-F617 AromaticContact CD1-CD2 3.99Å; F581-F617 HydrophobicContact CD1-CD2 3.99Å; F581-F617 AromaticContact CE1-CD2 3.56Å; F581-F617 HydrophobicContact CE1-CD2 3.56Å; F581-F617 HydrophobicContact CE1-CE2 4.31Å; F581-F617 HydrophobicContact CE1-CG 4.47Å; F581-F617 HydrophobicContact CZ-CD2 4.25Å; F581-L628 HydrophobicContact CD1-CD2 4.08Å; F581-L628 HydrophobicContact CE1-CD2 4.22Å; F581-I636 HydrophobicContact CE1-CD1 4.17Å; F581-I636 HydrophobicContact CZ-CG2 4.46Å
582L97.5Very high82.9Confident0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-117.9140.5167.6-52.7177.4000109.5A551 I553 L562 L565 P579 F584 L615 F616 Y625A551-L582 HydrophobicContact CB-CD2 3.86Å; A551-L582 CarbonylContact O-C 3.54Å; A551-L582 WeakPolarHBondContact O-CA 3.29Å; I553-L582 HydrophobicContact CD1-CD2 4.09Å; L562-L582 HydrophobicContact CD2-CD1 3.96Å; L565-L582 HydrophobicContact CD2-CD1 4.03Å; P579-L582 HydrophobicContact CB-CD2 3.96Å; P579-L582 HydrophobicContact CG-CD2 4.39Å; L582-F584 HydrophobicContact CB-CD2 4.43Å; L582-F584 HydrophobicContact CB-CE2 3.9Å; L582-F584 HydrophobicContact CD1-CE2 4.09Å; L582-F584 HydrophobicContact CD1-CZ 4.36Å; L582-L615 CarbonylContact O-C 3.56Å; L582-L615 WeakPolarHBondContact O-CA 3.36Å; L582-F616 HydrophobicContact CB-CB 4.23Å; L582-F616 PolarHBondContact N-O 3.02Å; L582-F616 PolarHBondContact O-N 2.63Å; L582-Y625 HydrophobicContact CD1-CD1 3.7Å; L582-Y625 HydrophobicContact CD1-CD2 3.82Å; L582-Y625 HydrophobicContact CD1-CE1 3.66Å; L582-Y625 HydrophobicContact CD1-CE2 3.77Å; L582-Y625 HydrophobicContact CD1-CG 3.78Å; L582-Y625 HydrophobicContact CD2-CE1 4.18Å; L582-Y625 HydrophobicContact CG-CD1 3.85Å; L582-Y625 HydrophobicContact CG-CE1 3.51Å; L582-Y625 HydrophobicContact CG-CE2 4.43Å; L582-Y625 HydrophobicContact CG-CG 4.44Å
583R96.7Very high81.9Confident21 Ų2137 Ų378%0.07920%0.199CC..EExtended strand (participates in β ladder)trans-122.8119.3172.1174.6177.3176.3172.90.9108.5M550 A551 A552 I553 L585 D604 V611 D613 K614 L615M550-R583 HydrophobicContact CE-CB 3.5Å; M550-R583 HydrophobicContact CE-CG 4.34Å; A551-R583 PolarHBondContact O-N 2.91Å; A552-R583 CarbonylContact C-O 3.49Å; A552-R583 VanDerWaalsContact CA-O 3.31Å; A552-R583 WeakPolarHBondContact CA-O 3.36Å; A552-R583 HydrophobicContact CB-CB 4.44Å; I553-R583 PolarHBondContact N-O 3.48Å; R583-L585 HydrophobicContact CG-CD2 4.42Å; R583-D604 IonicContact CZ-OD2 3.81Å; R583-D604 IonicContact NH1-OD2 2.79Å; R583-D604 PolarHBondContact NH1-OD2 3.16Å; R583-D604 IonicContact NH2-OD2 2.78Å; R583-D604 PolarHBondContact NH2-OD2 2.85Å; R583-V611 VanDerWaalsContact CZ-CG1 3.48Å; R583-D613 HydrophobicContact CG-CB 3.86Å; R583-D613 IonicContact CZ-OD2 3.66Å; R583-D613 IonicContact NE-OD2 2.8Å; R583-D613 PolarHBondContact NE-OD2 2.97Å; R583-D613 IonicContact NH2-OD2 2.61Å; R583-D613 PolarHBondContact NH2-OD2 3.01Å; R583-K614 WeakPolarHBondContact CA-O 3.48Å; R583-L615 HydrophobicContact CB-CD2 3.64Å; R583-L615 HydrophobicContact CG-CD2 3.79Å
584F95.9Very high81.2Confident24 Ų2439.4 Ų39.411%0.10521%0.209CC..EExtended strand (participates in β ladder)trans-101.5122176.6-72.9-90.1000110.4I553 D555 T560 L562 L582 D613 K614 F616I553-F584 HydrophobicContact CB-CD1 3.98Å; I553-F584 HydrophobicContact CB-CE1 3.93Å; I553-F584 HydrophobicContact CD1-CE1 3.9Å; I553-F584 HydrophobicContact CD1-CE2 4.38Å; I553-F584 HydrophobicContact CD1-CZ 3.76Å; I553-F584 HydrophobicContact CG2-CD1 4.03Å; I553-F584 HydrophobicContact CG2-CE1 3.79Å; I553-F584 WeakPolarHBondContact O-CA 3.24Å; D555-F584 HydrophobicContact CB-CD1 3.71Å; D555-F584 HydrophobicContact CB-CE1 4.27Å; T560-F584 HydrophobicContact CG2-CE1 3.86Å; T560-F584 HydrophobicContact CG2-CZ 3.84Å; T560-F584 WeakPolarHBondContact OG1-CE1 3.46Å; L562-F584 HydrophobicContact CD2-CE2 3.71Å; L562-F584 HydrophobicContact CD2-CZ 3.66Å; L582-F584 HydrophobicContact CB-CD2 4.43Å; L582-F584 HydrophobicContact CB-CE2 3.9Å; L582-F584 HydrophobicContact CD1-CE2 4.09Å; L582-F584 HydrophobicContact CD1-CZ 4.36Å; F584-D613 WeakPolarHBondContact O-CB 3.43Å; F584-K614 HydrophobicContact CB-CB 4.39Å; F584-K614 PolarHBondContact N-O 2.97Å; F584-K614 PolarHBondContact O-N 3.11Å; F584-F616 AromaticContact CD2-CD2 3.57Å; F584-F616 HydrophobicContact CD2-CD2 3.57Å; F584-F616 AromaticContact CD2-CE2 3.49Å; F584-F616 HydrophobicContact CD2-CE2 3.49Å; F584-F616 VanDerWaalsContact CD2-CE2 3.49Å; F584-F616 AromaticContact CE2-CD2 3.72Å; F584-F616 HydrophobicContact CE2-CD2 3.72Å; F584-F616 AromaticContact CE2-CE2 3.85Å; F584-F616 HydrophobicContact CE2-CE2 3.85Å; F584-F616 HydrophobicContact CG-CE2 4.48Å
585L93.8Very high80.8Confident16 Ų1641.8 Ų41.88%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-132.6159-175.463.7168.4000110.5A552 I553 A554 D555 R583 E587 V588 L601A552-L585 HydrophobicContact CB-CD2 3.77Å; I553-L585 WeakPolarHBondContact O-CD2 3.39Å; I553-L585 PolarHBondContact O-N 2.95Å; I553-L585 VanDerWaalsContact O-N 3.12Å; A554-L585 CarbonylContact C-O 3.56Å; A554-L585 VanDerWaalsContact CA-O 3.27Å; A554-L585 WeakPolarHBondContact CA-O 3.3Å; D555-L585 PolarHBondContact N-O 2.92Å; R583-L585 HydrophobicContact CG-CD2 4.42Å; L585-E587 WeakPolarHBondContact CD1-O 3.49Å; L585-E587 WeakPolarHBondContact CG-O 3.25Å; L585-V588 HydrophobicContact CD1-CG2 4.23Å; L585-V588 HydrophobicContact CD2-CG2 4.28Å; L585-V588 HydrophobicContact CG-CG2 4.39Å; L585-L601 HydrophobicContact CD1-CD2 4.46Å
586P89.5Confident80.5Confident86 Ų8638.7 Ų38.756%0.55819%0.192SC*.SBendtrans-65.3-40.5-179.3-22.433.9000113.1P556P556-P586 WeakPolarHBondContact CD-O 3.47Å
587E87.9Confident80.2Confident140 Ų14038.7 Ų38.765%0.65420%0.195SC*.  trans-151157.1179.364.8176.8177.300110.9L585L585-E587 WeakPolarHBondContact CD1-O 3.49Å; L585-E587 WeakPolarHBondContact CG-O 3.25Å
588V85Confident80.2Confident6 Ų639.6 Ų39.64%0.03620%0.198CC..  trans-103.7131.4174.6178.10000109.9D533 V535 A554 L585 K590 F596 L601D533-V588 HydrophobicContact CB-CG2 4.42Å; V535-V588 HydrophobicContact CG2-CB 4.49Å; V535-V588 HydrophobicContact CG2-CG1 3.46Å; V535-V588 VanDerWaalsContact CG2-CG1 3.46Å; V535-V588 HydrophobicContact CG2-CG2 4.38Å; A554-V588 HydrophobicContact CB-CG2 3.89Å; L585-V588 HydrophobicContact CD1-CG2 4.23Å; L585-V588 HydrophobicContact CD2-CG2 4.28Å; L585-V588 HydrophobicContact CG-CG2 4.39Å; V588-K590 PolarHBondContact O-N 3.2Å; V588-F596 HydrophobicContact CB-CD1 4.06Å; V588-F596 HydrophobicContact CB-CE1 4.17Å; V588-F596 HydrophobicContact CG1-CB 4.44Å; V588-F596 HydrophobicContact CG1-CD1 3.49Å; V588-F596 VanDerWaalsContact CG1-CD1 3.49Å; V588-F596 HydrophobicContact CG1-CE1 4.08Å; V588-F596 HydrophobicContact CG1-CG 4.29Å; V588-L601 HydrophobicContact CG1-CD1 4.45Å
589N75.9Confident79.5Confident82 Ų8242.1 Ų42.144%0.43922%0.216SC..  trans-58.8131.4176.1-73.9-21000112.4Q597 E600N589-Q597 HydrophobicContact CB-CB 4.35Å; N589-Q597 PolarHBondContact O-N 2.83Å; N589-E600 PolarHBondContact ND2-OE2 2.85Å
590K72.1Confident78.7Confident65 Ų6547.3 Ų47.328%0.28324%0.24SC..BIsolated β-bridgetrans-122.1152.3-179.9-68.8162.2-168.4163.40111.1Y340 D533 V588 K595 F596 Q597Y340-K590 WeakPolarHBondContact OH-CD 3.5Å; Y340-K590 WeakPolarHBondContact OH-CE 3.35Å; Y340-K590 PolarHBondContact OH-NZ 2.99Å; D533-K590 IonicContact OD1-NZ 3.37Å; D533-K590 WeakPolarHBondContact OD2-CE 3.19Å; D533-K590 IonicContact OD2-NZ 2.72Å; D533-K590 PolarHBondContact OD2-NZ 3.41Å; V588-K590 PolarHBondContact O-N 3.2Å; K590-K595 CarbonylContact C-O 3.54Å; K590-K595 WeakPolarHBondContact CA-O 3.5Å; K590-F596 HydrophobicContact CD-CE1 4.37Å; K590-F596 HydrophobicContact CG-CD1 3.89Å; K590-F596 HydrophobicContact CG-CE1 4.18Å; K590-Q597 PolarHBondContact O-NE2 2.85Å
591T63.7Low78.4Confident32 Ų3247.6 Ų47.620%0.19624%0.242CC..  trans-76.7170.7169.462.20000110.7T593 F594 K595 Q597T591-T593 PolarHBondContact O-N 2.94Å; T591-T593 PolarHBondContact OG1-OG1 2.73Å; T591-F594 WeakPolarHBondContact O-CA 3.29Å; T591-F594 PolarHBondContact O-N 2.81Å; T591-K595 PolarHBondContact N-O 3.03Å; T591-K595 WeakPolarHBondContact OG1-CB 3.34Å; T591-K595 PolarHBondContact OG1-N 3.05Å; T591-K595 PolarHBondContact OG1-O 3Å; T591-Q597 HydrophobicContact CG2-CG 3.84Å
592G45.6Very low77.8Confident16 Ų1651.3 Ų51.317%0.16526%0.256CS..THydrogen-bonded Turntrans-63.4-10.6174.300000115.2P287 Y289P287-G592 WeakPolarHBondContact CG-O 3.37Å; Y289-G592 WeakPolarHBondContact OH-CA 3.44Å
593T52Low77.2Confident17 Ų1759 Ų5910%0.10429%0.291CS..THydrogen-bonded Turntrans-105.331167.552.90000111.3P287 H290 I334 T591 K595P287-T593 HydrophobicContact CG-CG2 4.39Å; H290-T593 HydrophobicContact CB-CG2 4.38Å; H290-T593 WeakPolarHBondContact CD2-CG2 3.4Å; I334-T593 VanDerWaalsContact CD1-C 3.43Å; I334-T593 WeakPolarHBondContact CD1-O 3.28Å; T591-T593 PolarHBondContact O-N 2.94Å; T591-T593 PolarHBondContact OG1-OG1 2.73Å; T593-K595 PolarHBondContact O-N 3.24Å
594F62.8Low76.8Confident56 Ų5659.3 Ų59.325%0.24630%0.295CS..SBendtrans53.415.9175.6-55.2-84.1000115.9F314 I334 E336 Y340 T591F314-F594 HydrophobicContact CB-CE2 4.06Å; F314-F594 HydrophobicContact CB-CZ 3.9Å; F314-F594 HydrophobicContact CD1-CZ 4.24Å; F314-F594 HydrophobicContact CG-CZ 4.46Å; I334-F594 HydrophobicContact CD1-CB 4.15Å; I334-F594 HydrophobicContact CD1-CD2 3.94Å; E336-F594 HydrophobicContact CB-CB 4.42Å; Y340-F594 HydrophobicContact CE2-CD1 4.17Å; T591-F594 WeakPolarHBondContact O-CA 3.29Å; T591-F594 PolarHBondContact O-N 2.81Å
595K65.4Low76.6Confident95 Ų9558.7 Ų58.741%0.41330%0.295SS..  trans-79.6135.4173-58-177.3177.2176.30109.9K590 T591 T593K590-K595 CarbonylContact C-O 3.54Å; K590-K595 WeakPolarHBondContact CA-O 3.5Å; T591-K595 PolarHBondContact N-O 3.03Å; T591-K595 WeakPolarHBondContact OG1-CB 3.34Å; T591-K595 PolarHBondContact OG1-N 3.05Å; T591-K595 PolarHBondContact OG1-O 3Å; T593-K595 PolarHBondContact O-N 3.24Å
596F74.5Confident76.6Confident30 Ų3058.4 Ų58.413%0.13229%0.293CS..BIsolated β-bridgetrans-61.1142.3175.4-61.5-61.9000112.8D533 V535 V588 K590D533-F596 HydrophobicContact CB-CE1 4.03Å; D533-F596 HydrophobicContact CB-CZ 4.09Å; D533-F596 VanDerWaalsContact OD1-CZ 3.26Å; D533-F596 WeakPolarHBondContact OD1-CZ 3.3Å; V535-F596 HydrophobicContact CG2-CB 3.56Å; V535-F596 HydrophobicContact CG2-CD1 3.8Å; V535-F596 HydrophobicContact CG2-CD2 3.92Å; V535-F596 HydrophobicContact CG2-CE1 4.43Å; V535-F596 HydrophobicContact CG2-CG 3.5Å; V535-F596 VanDerWaalsContact CG2-CG 3.5Å; V588-F596 HydrophobicContact CB-CD1 4.06Å; V588-F596 HydrophobicContact CB-CE1 4.17Å; V588-F596 HydrophobicContact CG1-CB 4.44Å; V588-F596 HydrophobicContact CG1-CD1 3.49Å; V588-F596 VanDerWaalsContact CG1-CD1 3.49Å; V588-F596 HydrophobicContact CG1-CE1 4.08Å; V588-F596 HydrophobicContact CG1-CG 4.29Å; K590-F596 HydrophobicContact CD-CE1 4.37Å; K590-F596 HydrophobicContact CG-CD1 3.89Å; K590-F596 HydrophobicContact CG-CE1 4.18Å
597Q69.1Low76.7Confident84 Ų8455.8 Ų55.839%0.39327%0.274SS..  trans-96.2114.4175.4-59.3-171.315.200109.9N589 K590 T591N589-Q597 HydrophobicContact CB-CB 4.35Å; N589-Q597 PolarHBondContact O-N 2.83Å; K590-Q597 PolarHBondContact O-NE2 2.85Å; T591-Q597 HydrophobicContact CG2-CG 3.84Å
598K78.6Confident76.9Confident24 Ų2450.6 Ų50.610%0.10425%0.252CS..  trans-96.9-18.1-175.5-55.4-164.9177.7-164.30114.4T518 E522 V535 V536 L601 R602T518-K598 PolarHBondContact OG1-NZ 3.46Å; E522-K598 WeakPolarHBondContact OE1-CE 3.33Å; E522-K598 IonicContact OE1-NZ 2.72Å; E522-K598 PolarHBondContact OE1-NZ 2.84Å; E522-K598 IonicContact OE2-NZ 3.12Å; V535-K598 HydrophobicContact CG1-CB 4.49Å; V535-K598 HydrophobicContact CG1-CD 4.03Å; V535-K598 HydrophobicContact CG1-CG 3.68Å; V536-K598 PolarHBondContact O-NZ 2.79Å; K598-L601 PolarHBondContact O-N 3.39Å; K598-R602 WeakPolarHBondContact O-CB 3.29Å; K598-R602 WeakPolarHBondContact O-CG 3.44Å; K598-R602 PolarHBondContact O-N 3.28Å
599T76.1Confident77.1Confident81 Ų8154.5 Ų54.550%0.49728%0.276SS..Hα-helixtrans-65.5-48.7-167.8-51.40000112.4T249 R602 H603T249-T599 PolarHBondContact O-OG1 3.21Å; T599-R602 PolarHBondContact O-N 2.78Å; T599-H603 WeakPolarHBondContact O-CB 3.45Å; T599-H603 PolarHBondContact O-N 2.84Å
600E78.8Confident77.7Confident109 Ų10954.6 Ų54.651%0.50928%0.28SS..Hα-helixtrans-64.4-47.2177.6-170.4174.1-155.300110.9N589 R602 H603 D604N589-E600 PolarHBondContact ND2-OE2 2.85Å; E600-R602 VanDerWaalsContact C-N 3.28Å; E600-R602 PolarHBondContact O-N 3.11Å; E600-H603 WeakPolarHBondContact O-CB 3.44Å; E600-H603 PolarHBondContact O-N 3.17Å; E600-D604 VanDerWaalsContact O-CG 3.25Å; E600-D604 PolarHBondContact O-N 3.2Å
601L87.9Confident78.5Confident15 Ų1551.9 Ų51.98%0.07927%0.269CS..Hα-helixtrans-55.7-39.8176-66.3174.6000113.2V535 Y537 A552 L585 V588 K598 G605V535-L601 HydrophobicContact CB-CD1 4.08Å; V535-L601 HydrophobicContact CG1-CD1 3.88Å; V535-L601 HydrophobicContact CG2-CD1 4.44Å; Y537-L601 HydrophobicContact CD1-CB 4.29Å; Y537-L601 HydrophobicContact CE1-CB 3.69Å; Y537-L601 HydrophobicContact CE1-CD1 4.26Å; Y537-L601 HydrophobicContact CE1-CG 4.5Å; Y537-L601 HydrophobicContact CE2-CB 4.36Å; Y537-L601 WeakPolarHBondContact CE2-O 3.31Å; Y537-L601 PolarHBondContact OH-O 3.33Å; A552-L601 HydrophobicContact CB-CD1 4.03Å; A552-L601 HydrophobicContact CB-CD2 4.19Å; L585-L601 HydrophobicContact CD1-CD2 4.46Å; V588-L601 HydrophobicContact CG1-CD1 4.45Å; K598-L601 PolarHBondContact O-N 3.39Å; L601-G605 PolarHBondContact O-N 3.44Å
602R86.1Confident79.6Confident78 Ų7856.3 Ų56.329%0.29430%0.301SS..Hα-helixtrans-69.3-40.8175.3-78.6178.2-167.8177.57.6112.9G506 D507 Y537 K598 T599 E600 G605G506-R602 PolarHBondContact O-NH1 3.07Å; D507-R602 IonicContact OD1-CZ 3.32Å; D507-R602 IonicContact OD1-NH1 2.97Å; D507-R602 PolarHBondContact OD1-NH1 3.36Å; D507-R602 IonicContact OD1-NH2 2.85Å; D507-R602 PolarHBondContact OD1-NH2 3.2Å; Y537-R602 HydrophobicContact CD2-CB 4.28Å; Y537-R602 HydrophobicContact CD2-CG 3.53Å; Y537-R602 HydrophobicContact CE2-CG 4.4Å; Y537-R602 HydrophobicContact CG-CG 3.77Å; K598-R602 WeakPolarHBondContact O-CB 3.29Å; K598-R602 WeakPolarHBondContact O-CG 3.44Å; K598-R602 PolarHBondContact O-N 3.28Å; T599-R602 PolarHBondContact O-N 2.78Å; E600-R602 VanDerWaalsContact C-N 3.28Å; E600-R602 PolarHBondContact O-N 3.11Å; R602-G605 PolarHBondContact O-N 2.9Å
603H84.2Confident81.8Confident161 Ų16157.2 Ų57.275%0.74530%0.302SS*.Hα-helixtrans-64.4-46.3179171.9-85.9000110.9T599 E600 G605T599-H603 WeakPolarHBondContact O-CB 3.45Å; T599-H603 PolarHBondContact O-N 2.84Å; E600-H603 WeakPolarHBondContact O-CB 3.44Å; E600-H603 PolarHBondContact O-N 3.17Å; H603-G605 VanDerWaalsContact C-N 3.25Å; H603-G605 PolarHBondContact O-N 3.27Å
604D88.9Confident83.8Confident29 Ų2961 Ų6116%0.15532%0.317CS..Hα-helixtrans-60.8-37.3176.6-68.8-3.4000112.2R583 E600 V611R583-D604 IonicContact CZ-OD2 3.81Å; R583-D604 IonicContact NH1-OD2 2.79Å; R583-D604 PolarHBondContact NH1-OD2 3.16Å; R583-D604 IonicContact NH2-OD2 2.78Å; R583-D604 PolarHBondContact NH2-OD2 2.85Å; E600-D604 VanDerWaalsContact O-CG 3.25Å; E600-D604 PolarHBondContact O-N 3.2Å; D604-V611 HydrophobicContact CB-CG2 3.66Å
605G91.1Very high85.4Confident10 Ų1058.7 Ų58.710%0.10331%0.307CS..THydrogen-bonded Turntrans58.3-137.5-178.900000111.9M550 L601 R602 H603M550-G605 WeakPolarHBondContact CE-O 3.29Å; M550-G605 VanDerWaalsContact SD-O 3.38Å; L601-G605 PolarHBondContact O-N 3.44Å; R602-G605 PolarHBondContact O-N 2.9Å; H603-G605 VanDerWaalsContact C-N 3.25Å; H603-G605 PolarHBondContact O-N 3.27Å
606F93.3Very high86.9Confident11 Ų1155.6 Ų55.65%0.04829%0.294CS..THydrogen-bonded Turntrans-113.324-177.164.4-82.2000112.6V539 E540 I541 M550 F581 P608 L615 L628 Y633 I636 V637V539-F606 HydrophobicContact CB-CD1 4.01Å; V539-F606 HydrophobicContact CB-CE1 4.39Å; V539-F606 HydrophobicContact CG2-CD1 3.69Å; V539-F606 HydrophobicContact CG2-CE1 4.13Å; E540-F606 WeakPolarHBondContact O-CE1 3.13Å; I541-F606 HydrophobicContact CG1-CE1 3.96Å; I541-F606 HydrophobicContact CG1-CZ 3.94Å; I541-F606 HydrophobicContact CG2-CZ 4.48Å; M550-F606 HydrophobicContact CE-CB 4.36Å; M550-F606 HydrophobicContact SD-CB 4.11Å; F581-F606 HydrophobicContact CB-CB 4.36Å; F581-F606 HydrophobicContact CD1-CB 3.86Å; F581-F606 HydrophobicContact CD1-CD2 4.06Å; F581-F606 HydrophobicContact CD1-CG 4.01Å; F581-F606 HydrophobicContact CD2-CB 4.22Å; F581-F606 HydrophobicContact CD2-CD1 4.17Å; F581-F606 HydrophobicContact CD2-CG 4.13Å; F581-F606 HydrophobicContact CE1-CB 4.13Å; F581-F606 HydrophobicContact CE1-CD1 4.46Å; F581-F606 AromaticContact CE1-CD2 3.45Å; F581-F606 HydrophobicContact CE1-CD2 3.45Å; F581-F606 VanDerWaalsContact CE1-CD2 3.45Å; F581-F606 AromaticContact CE1-CE2 3.95Å; F581-F606 HydrophobicContact CE1-CE2 3.95Å; F581-F606 AromaticContact CE1-CG 3.76Å; F581-F606 HydrophobicContact CE1-CG 3.76Å; F581-F606 HydrophobicContact CE2-CB 4.46Å; F581-F606 AromaticContact CE2-CD1 3.79Å; F581-F606 HydrophobicContact CE2-CD1 3.79Å; F581-F606 HydrophobicContact CE2-CD2 4.19Å; F581-F606 HydrophobicContact CE2-CE1 4.03Å; F581-F606 HydrophobicContact CE2-CE2 4.42Å; F581-F606 AromaticContact CE2-CG 3.88Å; F581-F606 HydrophobicContact CE2-CG 3.88Å; F581-F606 HydrophobicContact CE2-CZ 4.35Å; F581-F606 HydrophobicContact CG-CB 3.89Å; F581-F606 HydrophobicContact CG-CG 4.17Å; F581-F606 HydrophobicContact CZ-CB 4.43Å; F581-F606 AromaticContact CZ-CD1 3.96Å; F581-F606 HydrophobicContact CZ-CD1 3.96Å; F581-F606 AromaticContact CZ-CD2 3.53Å; F581-F606 HydrophobicContact CZ-CD2 3.53Å; F581-F606 HydrophobicContact CZ-CE1 4.06Å; F581-F606 AromaticContact CZ-CE2 3.66Å; F581-F606 HydrophobicContact CZ-CE2 3.66Å; F581-F606 AromaticContact CZ-CG 3.7Å; F581-F606 HydrophobicContact CZ-CG 3.7Å; F581-F606 AromaticContact CZ-CZ 3.93Å; F581-F606 HydrophobicContact CZ-CZ 3.93Å; F606-P608 VanDerWaalsContact O-CD 3.3Å; F606-P608 WeakPolarHBondContact O-CD 3.27Å; F606-L615 WeakPolarHBondContact O-CD1 3.47Å; F606-L628 HydrophobicContact CB-CD2 4.11Å; F606-L628 HydrophobicContact CD2-CD2 3.97Å; F606-L628 VanDerWaalsContact O-CD2 3.29Å; F606-L628 WeakPolarHBondContact O-CD2 3.46Å; F606-Y633 AromaticContact CD2-CD2 3.69Å; F606-Y633 HydrophobicContact CD2-CD2 3.69Å; F606-Y633 AromaticContact CD2-CE2 3.83Å; F606-Y633 HydrophobicContact CD2-CE2 3.83Å; F606-Y633 AromaticContact CE2-CD2 3.63Å; F606-Y633 HydrophobicContact CE2-CD2 3.63Å; F606-Y633 AromaticContact CE2-CE2 3.6Å; F606-Y633 HydrophobicContact CE2-CE2 3.6Å; F606-Y633 HydrophobicContact CZ-CE2 4.27Å; F606-I636 HydrophobicContact CE2-CG2 4.11Å; F606-I636 HydrophobicContact CZ-CG2 4.48Å; F606-V637 HydrophobicContact CE2-CG2 4.36Å; F606-V637 HydrophobicContact CZ-CG2 4.42Å
607N92.4Very high87.9Confident31 Ų3154.3 Ų54.317%0.16629%0.288CS..  trans-84.2112.7-178.2-174.7-6000111.8T609 V610 V611 Y633N607-T609 PolarHBondContact ND2-OG1 3.4Å; N607-T609 PolarHBondContact O-N 3.27Å; N607-T609 PolarHBondContact OD1-N 3.14Å; N607-T609 PolarHBondContact OD1-OG1 2.9Å; N607-V610 HydrophobicContact CB-CB 4.26Å; N607-V610 HydrophobicContact CB-CG2 4.12Å; N607-V610 PolarHBondContact O-N 2.96Å; N607-V610 VanDerWaalsContact O-N 3.11Å; N607-V611 PolarHBondContact O-N 2.89Å; N607-V611 VanDerWaalsContact O-N 3.11Å; N607-Y633 HydrophobicContact CB-CE2 3.85Å; N607-Y633 PolarHBondContact ND2-OH 3.41Å
608P91.8Very high89.1Confident30 Ų3050.8 Ų50.820%0.19527%0.272CS..THydrogen-bonded Turntrans-67.8-13.7-179.229.3-35.5000114F606 L615 E630 Y633F606-P608 VanDerWaalsContact O-CD 3.3Å; F606-P608 WeakPolarHBondContact O-CD 3.27Å; P608-L615 HydrophobicContact CB-CD1 4.24Å; P608-E630 HydrophobicContact CG-CG 4.17Å; P608-Y633 VanDerWaalsContact CD-CG 3.46Å; P608-Y633 HydrophobicContact CG-CD1 4.45Å; P608-Y633 HydrophobicContact CG-CG 4.03Å
609T89.4Confident89.6Confident88 Ų8850.2 Ų50.254%0.5427%0.27SS..THydrogen-bonded Turntrans-84.6-15.1174.974.30000113.1N607 E630N607-T609 PolarHBondContact ND2-OG1 3.4Å; N607-T609 PolarHBondContact O-N 3.27Å; N607-T609 PolarHBondContact OD1-N 3.14Å; N607-T609 PolarHBondContact OD1-OG1 2.9Å; T609-E630 HydrophobicContact CG2-CG 4.02Å
610V88.1Confident89.7Confident85 Ų8550 Ų5052%0.51527%0.272SS..THydrogen-bonded Turntrans-101.3-33.8179.8175.80000110.3N607N607-V610 HydrophobicContact CB-CB 4.26Å; N607-V610 HydrophobicContact CB-CG2 4.12Å; N607-V610 PolarHBondContact O-N 2.96Å; N607-V610 VanDerWaalsContact O-N 3.11Å
611V87.9Confident89.8Confident8 Ų850 Ų505%0.04828%0.284CS..  trans-110.9126-172.3-179.90000110.5R583 D604 N607 D613 L615R583-V611 VanDerWaalsContact CZ-CG1 3.48Å; D604-V611 HydrophobicContact CB-CG2 3.66Å; N607-V611 PolarHBondContact O-N 2.89Å; N607-V611 VanDerWaalsContact O-N 3.11Å; V611-D613 VanDerWaalsContact C-N 3.33Å; V611-D613 HydrophobicContact CG1-CB 3.62Å; V611-L615 HydrophobicContact CB-CD1 4.48Å; V611-L615 HydrophobicContact CG1-CD2 4.44Å
612S88.1Confident89.6Confident124 Ų12457 Ų5787%0.86731%0.309SS*.  trans-81.5-11.6175.356.50000114.3
613D91.7Very high89.6Confident35 Ų3554.2 Ų54.219%0.18731%0.305CS..SBendtrans-70.1157.4-179.3-63.1-35.3000112.1R583 F584 V611 L615R583-D613 HydrophobicContact CG-CB 3.86Å; R583-D613 IonicContact CZ-OD2 3.66Å; R583-D613 IonicContact NE-OD2 2.8Å; R583-D613 PolarHBondContact NE-OD2 2.97Å; R583-D613 IonicContact NH2-OD2 2.61Å; R583-D613 PolarHBondContact NH2-OD2 3.01Å; F584-D613 WeakPolarHBondContact O-CB 3.43Å; V611-D613 VanDerWaalsContact C-N 3.33Å; V611-D613 HydrophobicContact CG1-CB 3.62Å; D613-L615 PolarHBondContact O-N 3.24Å
614K93.4Very high90Very high98 Ų9851.1 Ų51.143%0.42629%0.287SS..EExtended strand (participates in β ladder)trans-71.5116.3176.5-70.6-176.8176.6-178.40110R583 F584 F616R583-K614 WeakPolarHBondContact CA-O 3.48Å; F584-K614 HydrophobicContact CB-CB 4.39Å; F584-K614 PolarHBondContact N-O 2.97Å; F584-K614 PolarHBondContact O-N 3.11Å; K614-F616 HydrophobicContact CB-CE2 3.88Å; K614-F616 HydrophobicContact CB-CZ 4.46Å
615L96.6Very high90.3Very high7 Ų750.3 Ų50.34%0.03728%0.282CS..EExtended strand (participates in β ladder)trans-100.7142.8176.4-61.4177.7000110.8M550 L582 R583 F606 P608 V611 D613 L628M550-L615 HydrophobicContact CE-CD2 3.86Å; L582-L615 CarbonylContact O-C 3.56Å; L582-L615 WeakPolarHBondContact O-CA 3.36Å; R583-L615 HydrophobicContact CB-CD2 3.64Å; R583-L615 HydrophobicContact CG-CD2 3.79Å; F606-L615 WeakPolarHBondContact O-CD1 3.47Å; P608-L615 HydrophobicContact CB-CD1 4.24Å; V611-L615 HydrophobicContact CB-CD1 4.48Å; V611-L615 HydrophobicContact CG1-CD2 4.44Å; D613-L615 PolarHBondContact O-N 3.24Å; L615-L628 HydrophobicContact CB-CB 3.84Å; L615-L628 HydrophobicContact CB-CD2 4.05Å; L615-L628 HydrophobicContact CB-CG 4.37Å; L615-L628 HydrophobicContact CD1-CD2 4.21Å; L615-L628 PolarHBondContact O-N 2.94Å
616F96.9Very high90.5Very high29 Ų2951.5 Ų51.513%0.12729%0.287CS..EExtended strand (participates in β ladder)trans-132.3148.6174.3-61.3-95.2000110.7L562 F581 L582 F584 K614 Y625 V626 Q627L562-F616 HydrophobicContact CD1-CD1 3.48Å; L562-F616 VanDerWaalsContact CD1-CD1 3.48Å; L562-F616 HydrophobicContact CD1-CD2 4.47Å; L562-F616 HydrophobicContact CD1-CE1 3.37Å; L562-F616 HydrophobicContact CD1-CE2 4.37Å; L562-F616 HydrophobicContact CD1-CG 4.07Å; L562-F616 HydrophobicContact CD1-CZ 3.84Å; F581-F616 CarbonylContact C-O 3.46Å; F581-F616 VanDerWaalsContact CA-O 3.25Å; F581-F616 WeakPolarHBondContact CA-O 3.29Å; L582-F616 HydrophobicContact CB-CB 4.23Å; L582-F616 PolarHBondContact N-O 3.02Å; L582-F616 PolarHBondContact O-N 2.63Å; F584-F616 AromaticContact CD2-CD2 3.57Å; F584-F616 HydrophobicContact CD2-CD2 3.57Å; F584-F616 AromaticContact CD2-CE2 3.49Å; F584-F616 HydrophobicContact CD2-CE2 3.49Å; F584-F616 VanDerWaalsContact CD2-CE2 3.49Å; F584-F616 AromaticContact CE2-CD2 3.72Å; F584-F616 HydrophobicContact CE2-CD2 3.72Å; F584-F616 AromaticContact CE2-CE2 3.85Å; F584-F616 HydrophobicContact CE2-CE2 3.85Å; F584-F616 HydrophobicContact CG-CE2 4.48Å; K614-F616 HydrophobicContact CB-CE2 3.88Å; K614-F616 HydrophobicContact CB-CZ 4.46Å; F616-Y625 HydrophobicContact CB-CD1 4.25Å; F616-V626 CarbonylContact C-O 3.57Å; F616-V626 WeakPolarHBondContact CA-O 3.36Å; F616-V626 WeakPolarHBondContact CB-O 3.44Å; F616-Q627 HydrophobicContact CD1-CB 4.34Å; F616-Q627 HydrophobicContact CE1-CB 4.22Å
617F95.8Very high90.6Very high3 Ų357 Ų571%0.01331%0.313CS..EExtended strand (participates in β ladder)trans-119.4138.4178.4169.5-103.3000110.2V580 F581 D619 Y625 V626 L628 L632 I636 H641 L643V580-F617 HydrophobicContact CG1-CD2 3.87Å; V580-F617 HydrophobicContact CG1-CE2 3.56Å; V580-F617 CarbonylContact O-C 3.58Å; V580-F617 WeakPolarHBondContact O-CA 3.48Å; F581-F617 HydrophobicContact CD1-CB 4.41Å; F581-F617 AromaticContact CD1-CD2 3.99Å; F581-F617 HydrophobicContact CD1-CD2 3.99Å; F581-F617 AromaticContact CE1-CD2 3.56Å; F581-F617 HydrophobicContact CE1-CD2 3.56Å; F581-F617 HydrophobicContact CE1-CE2 4.31Å; F581-F617 HydrophobicContact CE1-CG 4.47Å; F581-F617 HydrophobicContact CZ-CD2 4.25Å; F617-D619 PolarHBondContact O-N 2.82Å; F617-Y625 CarbonylContact O-C 3.59Å; F617-Y625 WeakPolarHBondContact O-CA 3.44Å; F617-V626 HydrophobicContact CB-CG2 4.42Å; F617-V626 HydrophobicContact CD1-CG2 4.15Å; F617-V626 PolarHBondContact N-O 3.2Å; F617-V626 PolarHBondContact O-N 3.49Å; F617-L628 HydrophobicContact CB-CB 4.38Å; F617-L628 HydrophobicContact CB-CD1 4.3Å; F617-L632 HydrophobicContact CB-CD2 4.15Å; F617-L632 HydrophobicContact CD1-CD2 4.13Å; F617-L632 HydrophobicContact CG-CD2 4.44Å; F617-I636 HydrophobicContact CB-CD1 4.45Å; F617-I636 HydrophobicContact CD1-CD1 4.29Å; F617-I636 HydrophobicContact CD2-CD1 3.64Å; F617-I636 HydrophobicContact CE2-CD1 3.89Å; F617-I636 HydrophobicContact CG-CD1 3.85Å; F617-I636 HydrophobicContact CZ-CD1 4.32Å; F617-H641 AromaticContact CE1-CD2 3.57Å; F617-H641 AromaticContact CE1-NE2 3.32Å; F617-H641 VanDerWaalsContact CE1-NE2 3.32Å; F617-H641 WeakPolarHBondContact CE1-NE2 3.32Å; F617-H641 AromaticContact CZ-CD2 3.71Å; F617-H641 AromaticContact CZ-NE2 3.92Å; F617-L643 HydrophobicContact CE2-CD2 3.41Å; F617-L643 VanDerWaalsContact CE2-CD2 3.41Å; F617-L643 HydrophobicContact CZ-CD2 3.66Å
618L93.4Very high90.7Very high10 Ų1055.9 Ų55.95%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-79.3103176.8-179.457000110.9F566 R578 V580 S620 Y625F566-L618 HydrophobicContact CD2-CD1 3.58Å; F566-L618 HydrophobicContact CE2-CD1 3.49Å; F566-L618 VanDerWaalsContact CE2-CD1 3.49Å; F566-L618 HydrophobicContact CE2-CD2 4.34Å; F566-L618 HydrophobicContact CZ-CD1 4.49Å; R578-L618 HydrophobicContact CB-CD2 4.45Å; V580-L618 PolarHBondContact O-N 2.81Å; L618-S620 PolarHBondContact O-N 3.4Å; L618-Y625 HydrophobicContact CB-CD1 4.04Å; L618-Y625 HydrophobicContact CB-CE1 3.6Å; L618-Y625 HydrophobicContact CD1-CD1 4.45Å; L618-Y625 HydrophobicContact CD1-CD2 4.45Å; L618-Y625 HydrophobicContact CD1-CE1 4.21Å; L618-Y625 HydrophobicContact CD1-CE2 4.21Å; L618-Y625 HydrophobicContact CG-CE1 4.38Å
619D89.9Confident90.8Very high13 Ų1358.3 Ų58.37%0.0732%0.318CS..EExtended strand (participates in β ladder)trans-76.990.1168.2-175.4-15.9000108.9F617 S621 R622 G623 R624 V626F617-D619 PolarHBondContact O-N 2.82Å; D619-S621 PolarHBondContact O-N 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.32Å; D619-S621 PolarHBondContact OD1-N 3.21Å; D619-S621 VanDerWaalsContact OD1-N 3.13Å; D619-S621 PolarHBondContact OD1-OG 3.21Å; D619-R622 HydrophobicContact CB-CB 4.4Å; D619-R622 CarbonylContact O-C 3.53Å; D619-R622 PolarHBondContact O-N 3.5Å; D619-R622 VanDerWaalsContact O-N 3.11Å; D619-R622 PolarHBondContact OD1-N 2.94Å; D619-R622 WeakPolarHBondContact OD2-CD 3.32Å; D619-R622 WeakPolarHBondContact OD2-CG 3.4Å; D619-R622 IonicContact OD2-CZ 3.59Å; D619-R622 IonicContact OD2-NE 2.7Å; D619-R622 IonicContact OD2-NH1 2.64Å; D619-G623 PolarHBondContact O-N 2.92Å; D619-R624 PolarHBondContact N-O 2.87Å; D619-R624 PolarHBondContact O-N 3.45Å; D619-V626 HydrophobicContact CB-CG1 4.38Å; D619-V626 HydrophobicContact CB-CG2 4.42Å
620S78.7Confident90.9Very high76 Ų7658.4 Ų58.453%0.53131%0.312SS..THydrogen-bonded Turntrans-62.2-23.4-178.1-64.50000113.1L618 R622L618-S620 PolarHBondContact O-N 3.4Å; S620-R622 VanDerWaalsContact C-N 3.34Å
621S79.9Confident91.1Very high108 Ų10861.8 Ų61.876%0.75532%0.322SS*.THydrogen-bonded Turntrans-73.6-29.5177.776.50000112.4D619D619-S621 PolarHBondContact O-N 3.29Å; D619-S621 WeakPolarHBondContact OD1-CB 3.32Å; D619-S621 PolarHBondContact OD1-N 3.21Å; D619-S621 VanDerWaalsContact OD1-N 3.13Å; D619-S621 PolarHBondContact OD1-OG 3.21Å
622R84.2Confident91.3Very high162 Ų16262.8 Ų62.861%0.61133%0.327SS*.THydrogen-bonded Turntrans-103.4-9.3179.5-63.2-173.5179.8156.9-10113.4D619 S620 R624D619-R622 HydrophobicContact CB-CB 4.4Å; D619-R622 CarbonylContact O-C 3.53Å; D619-R622 PolarHBondContact O-N 3.5Å; D619-R622 VanDerWaalsContact O-N 3.11Å; D619-R622 PolarHBondContact OD1-N 2.94Å; D619-R622 WeakPolarHBondContact OD2-CD 3.32Å; D619-R622 WeakPolarHBondContact OD2-CG 3.4Å; D619-R622 IonicContact OD2-CZ 3.59Å; D619-R622 IonicContact OD2-NE 2.7Å; D619-R622 IonicContact OD2-NH1 2.64Å; S620-R622 VanDerWaalsContact C-N 3.34Å; R622-R624 HydrophobicContact CB-CG 4.02Å
623G86Confident91.5Very high21 Ų2159.2 Ų59.222%0.21630%0.295CS..THydrogen-bonded Turntrans61.645.3-178.300000112.4F566 D619F566-G623 WeakPolarHBondContact CD1-O 3.25Å; F566-G623 VanDerWaalsContact CE1-CA 3.46Å; F566-G623 WeakPolarHBondContact CE1-O 3.2Å; D619-G623 PolarHBondContact O-N 2.92Å
624R92.9Very high91.6Very high95 Ų9565 Ų6536%0.35832%0.315SS..EExtended strand (participates in β ladder)trans-154.8158.4178.966.2-178.8-174.6174.71112.8E563 D619 R622 V626E563-R624 WeakPolarHBondContact OE1-CB 3.47Å; D619-R624 PolarHBondContact N-O 2.87Å; D619-R624 PolarHBondContact O-N 3.45Å; R622-R624 HydrophobicContact CB-CG 4.02Å; R624-V626 HydrophobicContact CG-CG1 4.33Å
625Y95.3Very high91.3Very high13 Ų1362 Ų625%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-84.3129.1170.2-74.1-78.8000110.8F566 M569 P579 L582 F616 F617 L618F566-Y625 HydrophobicContact CB-CD2 4.27Å; F566-Y625 HydrophobicContact CB-CE2 4.27Å; F566-Y625 HydrophobicContact CD2-CE2 4.24Å; M569-Y625 WeakPolarHBondContact CE-OH 3.33Å; P579-Y625 WeakPolarHBondContact O-CE1 3.46Å; P579-Y625 PolarHBondContact O-OH 2.81Å; L582-Y625 HydrophobicContact CD1-CD1 3.7Å; L582-Y625 HydrophobicContact CD1-CD2 3.82Å; L582-Y625 HydrophobicContact CD1-CE1 3.66Å; L582-Y625 HydrophobicContact CD1-CE2 3.77Å; L582-Y625 HydrophobicContact CD1-CG 3.78Å; L582-Y625 HydrophobicContact CD2-CE1 4.18Å; L582-Y625 HydrophobicContact CG-CD1 3.85Å; L582-Y625 HydrophobicContact CG-CE1 3.51Å; L582-Y625 HydrophobicContact CG-CE2 4.43Å; L582-Y625 HydrophobicContact CG-CG 4.44Å; F616-Y625 HydrophobicContact CB-CD1 4.25Å; F617-Y625 CarbonylContact O-C 3.59Å; F617-Y625 WeakPolarHBondContact O-CA 3.44Å; L618-Y625 HydrophobicContact CB-CD1 4.04Å; L618-Y625 HydrophobicContact CB-CE1 3.6Å; L618-Y625 HydrophobicContact CD1-CD1 4.45Å; L618-Y625 HydrophobicContact CD1-CD2 4.45Å; L618-Y625 HydrophobicContact CD1-CE1 4.21Å; L618-Y625 HydrophobicContact CD1-CE2 4.21Å; L618-Y625 HydrophobicContact CG-CE1 4.38Å
626V94.9Very high90.9Very high34 Ų3461.7 Ų61.721%0.20630%0.304CS..EExtended strand (participates in β ladder)trans-113.1150173.7-62.80000109.8F616 F617 D619 R624 L628 L632F616-V626 CarbonylContact C-O 3.57Å; F616-V626 WeakPolarHBondContact CA-O 3.36Å; F616-V626 WeakPolarHBondContact CB-O 3.44Å; F617-V626 HydrophobicContact CB-CG2 4.42Å; F617-V626 HydrophobicContact CD1-CG2 4.15Å; F617-V626 PolarHBondContact N-O 3.2Å; F617-V626 PolarHBondContact O-N 3.49Å; D619-V626 HydrophobicContact CB-CG1 4.38Å; D619-V626 HydrophobicContact CB-CG2 4.42Å; R624-V626 HydrophobicContact CG-CG1 4.33Å; V626-L628 PolarHBondContact O-N 3.33Å; V626-L632 HydrophobicContact CG2-CD2 3.82Å
627Q94.9Very high90.5Very high128 Ų12862.5 Ų62.560%0.59831%0.311SS*.EExtended strand (participates in β ladder)trans-62.7133.6177.9-173.6171.2-13.600110.1F616 D629F616-Q627 HydrophobicContact CD1-CB 4.34Å; F616-Q627 HydrophobicContact CE1-CB 4.22Å; Q627-D629 PolarHBondContact O-N 3.44Å
628L94.9Very high90Very high6 Ų665.6 Ų65.63%0.03133%0.333CS..  trans-92.499.5178.1179.366.9000109.3F581 F606 L615 F617 V626 L632 I636F581-L628 HydrophobicContact CD1-CD2 4.08Å; F581-L628 HydrophobicContact CE1-CD2 4.22Å; F606-L628 HydrophobicContact CB-CD2 4.11Å; F606-L628 HydrophobicContact CD2-CD2 3.97Å; F606-L628 VanDerWaalsContact O-CD2 3.29Å; F606-L628 WeakPolarHBondContact O-CD2 3.46Å; L615-L628 HydrophobicContact CB-CB 3.84Å; L615-L628 HydrophobicContact CB-CD2 4.05Å; L615-L628 HydrophobicContact CB-CG 4.37Å; L615-L628 HydrophobicContact CD1-CD2 4.21Å; L615-L628 PolarHBondContact O-N 2.94Å; F617-L628 HydrophobicContact CB-CB 4.38Å; F617-L628 HydrophobicContact CB-CD1 4.3Å; V626-L628 PolarHBondContact O-N 3.33Å; L628-L632 HydrophobicContact CD1-CB 4.02Å; L628-L632 HydrophobicContact CD1-CD2 4Å; L628-L632 HydrophobicContact CD1-CG 3.8Å; L628-I636 HydrophobicContact CD1-CD1 3.82Å
629D93.1Very high89.1Confident81 Ų8167.8 Ų67.843%0.43336%0.358SS..  trans-93177.2171.460.626.3000111.8Q627 E631 L632 Y633Q627-D629 PolarHBondContact O-N 3.44Å; D629-E631 VanDerWaalsContact C-N 3.26Å; D629-E631 PolarHBondContact O-N 3.06Å; D629-E631 PolarHBondContact OD1-N 3.44Å; D629-L632 PolarHBondContact O-N 3.35Å; D629-L632 WeakPolarHBondContact OD1-CB 3.15Å; D629-L632 PolarHBondContact OD1-N 3Å; D629-Y633 VanDerWaalsContact O-CB 3.29Å; D629-Y633 WeakPolarHBondContact O-CB 2.99Å; D629-Y633 PolarHBondContact O-N 2.73Å
630E92.8Very high88.3Confident91 Ų9175.4 Ų75.443%0.42539%0.39SS..Hα-helixtrans-60.6-33.4179.4-72-170.1-15200113.3P608 T609 R634P608-E630 HydrophobicContact CG-CG 4.17Å; T609-E630 HydrophobicContact CG2-CG 4.02Å; E630-R634 WeakPolarHBondContact O-CB 2.91Å; E630-R634 WeakPolarHBondContact O-CG 3.45Å; E630-R634 PolarHBondContact O-N 3.16Å; E630-R634 IonicContact OE2-CZ 3.96Å; E630-R634 IonicContact OE2-NH2 3.78Å; E630-R634 PolarHBondContact OE2-NH2 3.32Å
631E92.7Very high88.1Confident155 Ų15574.3 Ų74.372%0.72438%0.377SS*.Hα-helixtrans-70.3-49.7-178.7-173.8-179.8170.400110.6D629 Y633 R634 S635D629-E631 VanDerWaalsContact C-N 3.26Å; D629-E631 PolarHBondContact O-N 3.06Å; D629-E631 PolarHBondContact OD1-N 3.44Å; E631-Y633 VanDerWaalsContact C-N 3.31Å; E631-Y633 PolarHBondContact O-N 2.93Å; E631-R634 PolarHBondContact O-N 3.04Å; E631-S635 PolarHBondContact O-N 2.94Å
632L91.4Very high87.4Confident29 Ų2978.7 Ų78.715%0.15238%0.382CS..Hα-helixtrans-63.1-39.7176.7-177.259000111F617 V626 L628 D629 S635 I636F617-L632 HydrophobicContact CB-CD2 4.15Å; F617-L632 HydrophobicContact CD1-CD2 4.13Å; F617-L632 HydrophobicContact CG-CD2 4.44Å; V626-L632 HydrophobicContact CG2-CD2 3.82Å; L628-L632 HydrophobicContact CD1-CB 4.02Å; L628-L632 HydrophobicContact CD1-CD2 4Å; L628-L632 HydrophobicContact CD1-CG 3.8Å; D629-L632 PolarHBondContact O-N 3.35Å; D629-L632 WeakPolarHBondContact OD1-CB 3.15Å; D629-L632 PolarHBondContact OD1-N 3Å; L632-S635 WeakPolarHBondContact O-CB 3.39Å; L632-S635 PolarHBondContact O-N 3.21Å; L632-I636 HydrophobicContact CD1-CD1 4.34Å; L632-I636 HydrophobicContact CD1-CG1 4.44Å; L632-I636 HydrophobicContact CG-CD1 4.05Å; L632-I636 WeakPolarHBondContact O-CG1 3.19Å; L632-I636 PolarHBondContact O-N 3.39Å
633Y92.7Very high86.5Confident49 Ų4973.6 Ų73.619%0.19237%0.367CS..Hα-helixtrans-57.7-50.4172.9172.2-100.8000112.2F606 N607 P608 D629 E631 S635 I636 V637F606-Y633 AromaticContact CD2-CD2 3.69Å; F606-Y633 HydrophobicContact CD2-CD2 3.69Å; F606-Y633 AromaticContact CD2-CE2 3.83Å; F606-Y633 HydrophobicContact CD2-CE2 3.83Å; F606-Y633 AromaticContact CE2-CD2 3.63Å; F606-Y633 HydrophobicContact CE2-CD2 3.63Å; F606-Y633 AromaticContact CE2-CE2 3.6Å; F606-Y633 HydrophobicContact CE2-CE2 3.6Å; F606-Y633 HydrophobicContact CZ-CE2 4.27Å; N607-Y633 HydrophobicContact CB-CE2 3.85Å; N607-Y633 PolarHBondContact ND2-OH 3.41Å; P608-Y633 VanDerWaalsContact CD-CG 3.46Å; P608-Y633 HydrophobicContact CG-CD1 4.45Å; P608-Y633 HydrophobicContact CG-CG 4.03Å; D629-Y633 VanDerWaalsContact O-CB 3.29Å; D629-Y633 WeakPolarHBondContact O-CB 2.99Å; D629-Y633 PolarHBondContact O-N 2.73Å; E631-Y633 VanDerWaalsContact C-N 3.31Å; E631-Y633 PolarHBondContact O-N 2.93Å; Y633-S635 PolarHBondContact O-N 3.26Å; Y633-I636 PolarHBondContact O-N 2.87Å; Y633-V637 HydrophobicContact CD1-CG2 4.49Å; Y633-V637 HydrophobicContact CD2-CG2 4.11Å; Y633-V637 HydrophobicContact CE1-CG2 4.08Å; Y633-V637 HydrophobicContact CE2-CG2 3.65Å; Y633-V637 WeakPolarHBondContact O-CG2 3.39Å; Y633-V637 PolarHBondContact O-N 3.11Å
634R92.1Very high86.5Confident158 Ų15876.3 Ų76.360%0.59638%0.375SS*.Hα-helixtrans-60.5-36.2176.9-71.4171.8-159.9-1798.4111.6E630 E631 S638E630-R634 WeakPolarHBondContact O-CB 2.91Å; E630-R634 WeakPolarHBondContact O-CG 3.45Å; E630-R634 PolarHBondContact O-N 3.16Å; E630-R634 IonicContact OE2-CZ 3.96Å; E630-R634 IonicContact OE2-NH2 3.78Å; E630-R634 PolarHBondContact OE2-NH2 3.32Å; E631-R634 PolarHBondContact O-N 3.04Å; R634-S638 VanDerWaalsContact O-CB 3.25Å; R634-S638 WeakPolarHBondContact O-CB 3.38Å; R634-S638 PolarHBondContact O-N 3.2Å; R634-S638 PolarHBondContact O-OG 2.79Å
635S88.6Confident86.2Confident33 Ų3375.3 Ų75.323%0.23138%0.375CS..Hα-helixtrans-66-42176.6-168.10000112.7E631 L632 Y633 S638 G639 K640 H641E631-S635 PolarHBondContact O-N 2.94Å; L632-S635 WeakPolarHBondContact O-CB 3.39Å; L632-S635 PolarHBondContact O-N 3.21Å; Y633-S635 PolarHBondContact O-N 3.26Å; S635-S638 PolarHBondContact O-OG 2.8Å; S635-G639 PolarHBondContact O-N 2.6Å; S635-K640 PolarHBondContact O-N 2.99Å; S635-H641 PolarHBondContact O-N 2.73Å; S635-H641 VanDerWaalsContact O-N 3.16Å
636I87.9Confident85.7Confident1 Ų178.7 Ų78.71%0.00539%0.393CS..Hα-helixtrans-65.9-50.4175.7-68.6165.9000110.6I541 F581 F606 F617 L628 L632 Y633 S638 G639 H641 L643I541-I636 HydrophobicContact CG2-CG2 3.88Å; F581-I636 HydrophobicContact CE1-CD1 4.17Å; F581-I636 HydrophobicContact CZ-CG2 4.46Å; F606-I636 HydrophobicContact CE2-CG2 4.11Å; F606-I636 HydrophobicContact CZ-CG2 4.48Å; F617-I636 HydrophobicContact CB-CD1 4.45Å; F617-I636 HydrophobicContact CD1-CD1 4.29Å; F617-I636 HydrophobicContact CD2-CD1 3.64Å; F617-I636 HydrophobicContact CE2-CD1 3.89Å; F617-I636 HydrophobicContact CG-CD1 3.85Å; F617-I636 HydrophobicContact CZ-CD1 4.32Å; L628-I636 HydrophobicContact CD1-CD1 3.82Å; L632-I636 HydrophobicContact CD1-CD1 4.34Å; L632-I636 HydrophobicContact CD1-CG1 4.44Å; L632-I636 HydrophobicContact CG-CD1 4.05Å; L632-I636 WeakPolarHBondContact O-CG1 3.19Å; L632-I636 PolarHBondContact O-N 3.39Å; Y633-I636 PolarHBondContact O-N 2.87Å; I636-S638 VanDerWaalsContact C-N 3.29Å; I636-S638 PolarHBondContact O-N 2.93Å; I636-G639 PolarHBondContact O-N 3.28Å; I636-H641 HydrophobicContact CG1-CB 3.89Å; I636-L643 HydrophobicContact CG2-CD1 4.46Å; I636-L643 HydrophobicContact CG2-CD2 4.24Å
637V87.8Confident85.1Confident47 Ų4781.4 Ų81.429%0.28540%0.404SS..Hα-helixtrans-65.2-31.9-177.8168.70000112.6P542 F606 Y633 G639P542-V637 HydrophobicContact CG-CG1 4.09Å; F606-V637 HydrophobicContact CE2-CG2 4.36Å; F606-V637 HydrophobicContact CZ-CG2 4.42Å; Y633-V637 HydrophobicContact CD1-CG2 4.49Å; Y633-V637 HydrophobicContact CD2-CG2 4.11Å; Y633-V637 HydrophobicContact CE1-CG2 4.08Å; Y633-V637 HydrophobicContact CE2-CG2 3.65Å; Y633-V637 WeakPolarHBondContact O-CG2 3.39Å; Y633-V637 PolarHBondContact O-N 3.11Å; V637-G639 PolarHBondContact O-N 3.28Å
638S85.3Confident84.5Confident68 Ų6878.4 Ų78.448%0.47639%0.392SS..THydrogen-bonded Turntrans-80.9-0.3175.760.90000114.2R634 S635 I636 K640R634-S638 VanDerWaalsContact O-CB 3.25Å; R634-S638 WeakPolarHBondContact O-CB 3.38Å; R634-S638 PolarHBondContact O-N 3.2Å; R634-S638 PolarHBondContact O-OG 2.79Å; S635-S638 PolarHBondContact O-OG 2.8Å; I636-S638 VanDerWaalsContact C-N 3.29Å; I636-S638 PolarHBondContact O-N 2.93Å; S638-K640 PolarHBondContact O-N 3.13Å
639G74.1Confident83.8Confident55 Ų5583.3 Ų83.357%0.56742%0.416SS*.THydrogen-bonded Turntrans70.89.9-178.500000114.5S635 I636 V637 H641S635-G639 PolarHBondContact O-N 2.6Å; I636-G639 PolarHBondContact O-N 3.28Å; V637-G639 PolarHBondContact O-N 3.28Å; G639-H641 VanDerWaalsContact C-N 3.34Å
640K73.9Confident83.1Confident173 Ų17383.4 Ų83.475%0.75242%0.415SS*.  trans-74.5-28176.6-69.9-178.6-178.8179.50112S635 S638S635-K640 PolarHBondContact O-N 2.99Å; S638-K640 PolarHBondContact O-N 3.13Å
641H74.2Confident82.4Confident53 Ų5382.8 Ų82.825%0.24541%0.414CS..SBendtrans-92.1125175-151.685.9000110.4F617 S635 I636 G639F617-H641 AromaticContact CE1-CD2 3.57Å; F617-H641 AromaticContact CE1-NE2 3.32Å; F617-H641 VanDerWaalsContact CE1-NE2 3.32Å; F617-H641 WeakPolarHBondContact CE1-NE2 3.32Å; F617-H641 AromaticContact CZ-CD2 3.71Å; F617-H641 AromaticContact CZ-NE2 3.92Å; S635-H641 PolarHBondContact O-N 2.73Å; S635-H641 VanDerWaalsContact O-N 3.16Å; I636-H641 HydrophobicContact CG1-CB 3.89Å; G639-H641 VanDerWaalsContact C-N 3.34Å
642K64.8Low81.5Confident200 Ų20076.8 Ų76.887%0.8739%0.389SS*.  trans-78.4137.7176.9-74.1-172.8177.4-177.80110.7
643L65.8Low80.6Confident56 Ų5681.2 Ų81.229%0.29341%0.41SS..  trans-110.60-173.4-64.7162.2000113.4W511 K512 I541 V580 F617 I636W511-L643 HydrophobicContact CH2-CB 4.41Å; W511-L643 HydrophobicContact CH2-CD1 4.34Å; W511-L643 HydrophobicContact CZ2-CB 4.23Å; K512-L643 WeakPolarHBondContact CE-O 3.12Å; K512-L643 PolarHBondContact NZ-O 3.4Å; K512-L643 PolarHBondContact NZ-OXT 3.08Å; I541-L643 HydrophobicContact CB-CD1 4.43Å; I541-L643 HydrophobicContact CD1-CD1 3.66Å; I541-L643 HydrophobicContact CD1-CD2 4.18Å; I541-L643 HydrophobicContact CG2-CD1 3.79Å; V580-L643 HydrophobicContact CG1-CD2 4.45Å; F617-L643 HydrophobicContact CE2-CD2 3.41Å; F617-L643 VanDerWaalsContact CE2-CD2 3.41Å; F617-L643 HydrophobicContact CZ-CD2 3.66Å; I636-L643 HydrophobicContact CG2-CD1 4.46Å; I636-L643 HydrophobicContact CG2-CD2 4.24Å

Retrieved 643 of 643 residues in 1280.1 ms (Link to these results)

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