A0AA82MKY6_SCHMA Loading...

Queuine tRNA-ribosyltransferase accessory subunit 2 AlphaSync

Non-catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine).

AlphaFold DB , UniProt , Accession A0AA82MKY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 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
1M70.7Confident87.5Confident156 Ų15673.3 Ų73.377%0.76841%0.412SS*.  0128.70-86.7-158-71.200104.5K3 E21 S191M1-K3 PolarHBondContact O-N 3.06Å; M1-E21 VanDerWaalsContact CA-OE2 3.32Å; M1-E21 WeakPolarHBondContact CA-OE2 3.47Å; M1-E21 PolarHBondContact N-OE1 3.3Å; M1-E21 VanDerWaalsContact N-OE1 3.09Å; M1-E21 PolarHBondContact N-OE2 2.8Å; M1-S191 WeakPolarHBondContact CA-OG 3.37Å
2V84.3Confident86.8Confident16 Ų1680.8 Ų80.810%0.09744%0.441CS..  trans-62124.1-175.6-177.50000108.9L19 E21 I141 V142V2-L19 HydrophobicContact CG1-CD1 3.22Å; V2-L19 HydrophobicContact CG1-CD2 3.89Å; V2-L19 HydrophobicContact CG1-CG 3.4Å; V2-L19 VanDerWaalsContact CG1-CG 3.4Å; V2-E21 WeakPolarHBondContact CA-OE2 3.41Å; V2-E21 PolarHBondContact N-OE2 3.09Å; V2-I141 HydrophobicContact CB-CG2 4.48Å; V2-I141 HydrophobicContact CG2-CB 4.47Å; V2-I141 HydrophobicContact CG2-CG2 3.03Å; V2-V142 HydrophobicContact CG2-CB 4.05Å; V2-V142 HydrophobicContact CG2-CG1 4.29Å
3K90.2Very high86.8Confident117 Ų11782.3 Ų82.351%0.50944%0.436SS..EExtended strand (participates in β ladder)trans-96.3130.4174.9-170.4-177.6-177.1-1310108.7M1 D5 L19 S20M1-K3 PolarHBondContact O-N 3.06Å; K3-D5 WeakPolarHBondContact CE-OD1 3.48Å; K3-D5 WeakPolarHBondContact CE-OD2 3.41Å; K3-D5 IonicContact NZ-OD1 3.01Å; K3-D5 PolarHBondContact NZ-OD1 3.44Å; K3-D5 IonicContact NZ-OD2 2.79Å; K3-D5 PolarHBondContact NZ-OD2 2.68Å; K3-L19 CarbonylContact O-C 3.5Å; K3-L19 WeakPolarHBondContact O-CA 3.49Å; K3-S20 PolarHBondContact N-O 3.2Å; K3-S20 PolarHBondContact O-N 2.9Å
4F94.6Very high87.2Confident15 Ų1577.8 Ų77.87%0.06641%0.412CS..EExtended strand (participates in β ladder)trans-116.7114.6171.8-175.5-134.4000110V6 K18 L19 T32 P266 D287F4-V6 HydrophobicContact CE1-CG2 4.45Å; F4-K18 WeakPolarHBondContact CA-O 3.46Å; F4-K18 WeakPolarHBondContact CD2-O 3.47Å; F4-L19 HydrophobicContact CB-CD1 4.14Å; F4-L19 HydrophobicContact CD2-CD1 4.11Å; F4-L19 HydrophobicContact CG-CD1 4.43Å; F4-T32 HydrophobicContact CE2-CG2 3.82Å; F4-T32 HydrophobicContact CZ-CG2 4.46Å; F4-P266 HydrophobicContact CB-CB 4.17Å; F4-P266 HydrophobicContact CB-CG 4.02Å; F4-P266 VanDerWaalsContact CD1-CA 3.44Å; F4-P266 HydrophobicContact CD1-CB 3.65Å; F4-P266 HydrophobicContact CD1-CG 4.22Å; F4-P266 VanDerWaalsContact CD1-N 3.29Å; F4-P266 HydrophobicContact CD2-CB 4.13Å; F4-P266 VanDerWaalsContact CE1-CA 3.47Å; F4-P266 HydrophobicContact CE1-CB 3.88Å; F4-P266 HydrophobicContact CE2-CB 4.47Å; F4-P266 HydrophobicContact CG-CB 3.75Å; F4-P266 HydrophobicContact CG-CG 4.16Å; F4-P266 HydrophobicContact CZ-CB 4.37Å; F4-D287 WeakPolarHBondContact CE1-OD2 3.34Å; F4-D287 HydrophobicContact CZ-CB 3.97Å; F4-D287 VanDerWaalsContact CZ-CG 3.4Å; F4-D287 VanDerWaalsContact CZ-OD1 3.32Å; F4-D287 WeakPolarHBondContact CZ-OD1 3.48Å
5D94.6Very high87.7Confident51 Ų5173.7 Ų73.727%0.27339%0.388SS..EExtended strand (participates in β ladder)trans-100.3121.5176.8-69.2-52.3000108.8K3 L7 G17 K18K3-D5 WeakPolarHBondContact CE-OD1 3.48Å; K3-D5 WeakPolarHBondContact CE-OD2 3.41Å; K3-D5 IonicContact NZ-OD1 3.01Å; K3-D5 PolarHBondContact NZ-OD1 3.44Å; K3-D5 IonicContact NZ-OD2 2.79Å; K3-D5 PolarHBondContact NZ-OD2 2.68Å; D5-L7 HydrophobicContact CB-CD2 4.35Å; D5-L7 PolarHBondContact O-N 2.76Å; D5-G17 CarbonylContact O-C 3.52Å; D5-G17 WeakPolarHBondContact O-CA 3.28Å; D5-K18 PolarHBondContact N-O 2.8Å; D5-K18 PolarHBondContact O-N 3.43Å
6V93.4Very high88.3Confident55 Ų5570.4 Ų70.433%0.33337%0.371SS..EExtended strand (participates in β ladder)trans-82.3112.2170.3-167.70000107.2F4 T9 P263F4-V6 HydrophobicContact CE1-CG2 4.45Å; V6-T9 HydrophobicContact CG1-CG2 3.66Å; V6-P263 WeakPolarHBondContact CG2-O 3.48Å
7L92.9Very high88.8Confident93 Ų9366.3 Ų66.349%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-84.1-45.7-176.5-57.8179.9000110.7D5 L16 K18D5-L7 HydrophobicContact CB-CD2 4.35Å; D5-L7 PolarHBondContact O-N 2.76Å; L7-L16 WeakPolarHBondContact CA-O 3.24Å; L7-L16 WeakPolarHBondContact CB-O 3.48Å; L7-L16 PolarHBondContact N-O 2.96Å; L7-K18 HydrophobicContact CD1-CB 4.21Å; L7-K18 HydrophobicContact CG-CB 4.47Å
8L90.1Very high89.2Confident93 Ų9365.4 Ų65.449%0.48734%0.343SS..EExtended strand (participates in β ladder)trans-145.9146.1179.2-67169.2000110F10 R15 L16L8-F10 HydrophobicContact CB-CD2 4.27Å; L8-F10 HydrophobicContact CB-CE2 3.63Å; L8-F10 HydrophobicContact CB-CZ 4.26Å; L8-F10 HydrophobicContact CD1-CE2 3.96Å; L8-F10 HydrophobicContact CD1-CZ 3.94Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; L8-R15 WeakPolarHBondContact O-CA 3.47Å; L8-L16 HydrophobicContact CB-CB 4.27Å; L8-L16 HydrophobicContact CD1-CD1 4.3Å; L8-L16 PolarHBondContact N-O 2.63Å; L8-L16 PolarHBondContact O-N 2.74Å
9T88.1Confident89.6Confident99 Ų9962 Ų6261%0.60733%0.325SS*.EExtended strand (participates in β ladder)trans-118.8133169.554.60000109.1V6 M14 R15V6-T9 HydrophobicContact CG1-CG2 3.66Å; T9-M14 CarbonylContact C-O 3.56Å; T9-M14 VanDerWaalsContact CA-O 3.28Å; T9-M14 WeakPolarHBondContact CA-O 3.45Å; T9-R15 HydrophobicContact CG2-CG 4.23Å
10F83.2Confident89.8Confident41 Ų4159.4 Ų59.418%0.1831%0.312CS..EExtended strand (participates in β ladder)trans-121.5137.4178.3-66.9-90.1000110L8 M14 L16 I394 A395 N397L8-F10 HydrophobicContact CB-CD2 4.27Å; L8-F10 HydrophobicContact CB-CE2 3.63Å; L8-F10 HydrophobicContact CB-CZ 4.26Å; L8-F10 HydrophobicContact CD1-CE2 3.96Å; L8-F10 HydrophobicContact CD1-CZ 3.94Å; L8-F10 HydrophobicContact CG-CE2 4.4Å; F10-M14 HydrophobicContact CB-CB 4.17Å; F10-M14 HydrophobicContact CB-CE 3.9Å; F10-M14 PolarHBondContact N-O 2.81Å; F10-M14 VanDerWaalsContact O-CB 3.32Å; F10-M14 WeakPolarHBondContact O-CB 3.06Å; F10-M14 PolarHBondContact O-N 2.99Å; F10-M14 VanDerWaalsContact O-N 3.11Å; F10-L16 HydrophobicContact CE2-CD1 3.9Å; F10-L16 HydrophobicContact CE2-CG 4.29Å; F10-I394 HydrophobicContact CD2-CG2 3.73Å; F10-I394 HydrophobicContact CE2-CG2 4.23Å; F10-I394 HydrophobicContact CG-CG2 4.46Å; F10-A395 WeakPolarHBondContact CZ-O 3.44Å; F10-N397 HydrophobicContact CD1-CB 4.33Å
11G80.5Confident89.8Confident70 Ų7058.1 Ų58.172%0.72230%0.304SS*.THydrogen-bonded Turntrans56-147.7-17300000111.9
12E78.6Confident90.5Very high163 Ų16354.6 Ų54.676%0.76230%0.295SS*.THydrogen-bonded Turntrans-81.5-28.6-179.3-64.5-169.9169.100113.7
13W87.6Confident90.1Very high101 Ų10156 Ų5638%0.38330%0.302SS..THydrogen-bonded Turntrans-132-24.6-164.7-41.5-49.2000115.6R15 P255 G285W13-R15 WeakPolarHBondContact O-CG 3.32Å; W13-P255 HydrophobicContact CD2-CB 3.69Å; W13-P255 HydrophobicContact CE3-CB 3.85Å; W13-P255 HydrophobicContact CG-CB 4.11Å; W13-P255 HydrophobicContact CZ2-CB 4.39Å; W13-P255 HydrophobicContact CZ3-CB 4.26Å; W13-G285 WeakPolarHBondContact O-CA 3.29Å
14M92.3Very high89.2Confident19 Ų1957.2 Ų57.29%0.09431%0.313CS..EExtended strand (participates in β ladder)trans-75.6142.5-170.6-61.6178.4-80.500111.6T9 F10 R283 I394 I399T9-M14 CarbonylContact C-O 3.56Å; T9-M14 VanDerWaalsContact CA-O 3.28Å; T9-M14 WeakPolarHBondContact CA-O 3.45Å; F10-M14 HydrophobicContact CB-CB 4.17Å; F10-M14 HydrophobicContact CB-CE 3.9Å; F10-M14 PolarHBondContact N-O 2.81Å; F10-M14 VanDerWaalsContact O-CB 3.32Å; F10-M14 WeakPolarHBondContact O-CB 3.06Å; F10-M14 PolarHBondContact O-N 2.99Å; F10-M14 VanDerWaalsContact O-N 3.11Å; M14-R283 HydrophobicContact CG-CG 4.34Å; M14-R283 VanDerWaalsContact CG-O 3.24Å; M14-R283 WeakPolarHBondContact CG-O 3.21Å; M14-R283 HydrophobicContact SD-CG 4.19Å; M14-I394 HydrophobicContact CB-CG2 4.32Å; M14-I399 HydrophobicContact CE-CG2 4.19Å; M14-I399 HydrophobicContact SD-CB 4.01Å; M14-I399 HydrophobicContact SD-CG1 4.33Å; M14-I399 HydrophobicContact SD-CG2 3.46Å; M14-I399 WeakPolarHBondContact SD-CG2 3.12Å
15R94.5Very high88.3Confident16 Ų1666 Ų666%0.0635%0.354CS..EExtended strand (participates in β ladder)trans-139.7127.8-171.9-65161.958.1110.8-0.8111L8 T9 W13 P263 D287L8-R15 WeakPolarHBondContact O-CA 3.47Å; T9-R15 HydrophobicContact CG2-CG 4.23Å; W13-R15 WeakPolarHBondContact O-CG 3.32Å; R15-P263 PolarHBondContact NH1-O 3.17Å; R15-P263 PolarHBondContact NH2-O 3.04Å; R15-D287 IonicContact NE-OD1 2.74Å; R15-D287 IonicContact NE-OD2 2.81Å
16L97Very high87.6Confident21 Ų2168.3 Ų68.311%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-97.9127.4158.6-64.9-179.4000107.8L7 L8 F10 T32 R391 I394 A395L7-L16 WeakPolarHBondContact CA-O 3.24Å; L7-L16 WeakPolarHBondContact CB-O 3.48Å; L7-L16 PolarHBondContact N-O 2.96Å; L8-L16 HydrophobicContact CB-CB 4.27Å; L8-L16 HydrophobicContact CD1-CD1 4.3Å; L8-L16 PolarHBondContact N-O 2.63Å; L8-L16 PolarHBondContact O-N 2.74Å; F10-L16 HydrophobicContact CE2-CD1 3.9Å; F10-L16 HydrophobicContact CE2-CG 4.29Å; L16-T32 WeakPolarHBondContact CA-O 3.49Å; L16-T32 WeakPolarHBondContact CD2-O 3.49Å; L16-R391 HydrophobicContact CD2-CB 4.32Å; L16-R391 HydrophobicContact CD2-CG 4.37Å; L16-I394 HydrophobicContact CD1-CG2 4.33Å; L16-I394 HydrophobicContact CD2-CB 3.95Å; L16-I394 HydrophobicContact CD2-CD1 4.47Å; L16-I394 HydrophobicContact CD2-CG2 3.79Å; L16-I394 HydrophobicContact CG-CB 4.38Å; L16-I394 HydrophobicContact CG-CG2 3.76Å; L16-A395 HydrophobicContact CD1-CB 3.74Å
17G96.8Very high87.5Confident1 Ų171.1 Ų71.11%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-144.7-179.5-176.900000112.2D5 Q31 T32D5-G17 CarbonylContact O-C 3.52Å; D5-G17 WeakPolarHBondContact O-CA 3.28Å; G17-Q31 PolarHBondContact O-OE1 3.01Å; G17-T32 VanDerWaalsContact C-OG1 3.3Å; G17-T32 WeakPolarHBondContact CA-OG1 3.43Å; G17-T32 PolarHBondContact N-O 3.02Å; G17-T32 PolarHBondContact N-OG1 3.18Å; G17-T32 PolarHBondContact O-N 3.26Å; G17-T32 PolarHBondContact O-OG1 3.33Å
18K96.8Very high87.5Confident51 Ų5166.7 Ų66.722%0.22235%0.353CS..EExtended strand (participates in β ladder)trans-141.2118.2178.7-173-175.8-178-164.50109.6F4 D5 L7 N29 L30F4-K18 WeakPolarHBondContact CA-O 3.46Å; F4-K18 WeakPolarHBondContact CD2-O 3.47Å; D5-K18 PolarHBondContact N-O 2.8Å; D5-K18 PolarHBondContact O-N 3.43Å; L7-K18 HydrophobicContact CD1-CB 4.21Å; L7-K18 HydrophobicContact CG-CB 4.47Å; K18-N29 VanDerWaalsContact CE-CB 3.48Å; K18-N29 WeakPolarHBondContact CE-OD1 3.47Å; K18-N29 PolarHBondContact NZ-OD1 3.15Å; K18-L30 CarbonylContact C-O 3.51Å; K18-L30 WeakPolarHBondContact CA-O 3.44Å
19L95.5Very high87.7Confident0 Ų064.3 Ų64.30%034%0.34CS..EExtended strand (participates in β ladder)trans-82133166.2-15675.6000108.7V2 K3 F4 N29 L30 F61 P266 F268 I288V2-L19 HydrophobicContact CG1-CD1 3.22Å; V2-L19 HydrophobicContact CG1-CD2 3.89Å; V2-L19 HydrophobicContact CG1-CG 3.4Å; V2-L19 VanDerWaalsContact CG1-CG 3.4Å; K3-L19 CarbonylContact O-C 3.5Å; K3-L19 WeakPolarHBondContact O-CA 3.49Å; F4-L19 HydrophobicContact CB-CD1 4.14Å; F4-L19 HydrophobicContact CD2-CD1 4.11Å; F4-L19 HydrophobicContact CG-CD1 4.43Å; L19-N29 CarbonylContact O-C 3.42Å; L19-N29 VanDerWaalsContact O-CA 3.27Å; L19-N29 WeakPolarHBondContact O-CA 3.42Å; L19-L30 HydrophobicContact CB-CB 4.16Å; L19-L30 PolarHBondContact N-O 3.14Å; L19-L30 PolarHBondContact O-N 3.11Å; L19-F61 HydrophobicContact CB-CZ 4.48Å; L19-F61 HydrophobicContact CD2-CD1 3.87Å; L19-F61 HydrophobicContact CD2-CD2 4.43Å; L19-F61 HydrophobicContact CD2-CE1 3.65Å; L19-F61 HydrophobicContact CD2-CE2 4.23Å; L19-F61 HydrophobicContact CD2-CG 4.25Å; L19-F61 HydrophobicContact CD2-CZ 3.84Å; L19-F61 HydrophobicContact CG-CE1 4.34Å; L19-F61 HydrophobicContact CG-CZ 4.14Å; L19-P266 HydrophobicContact CD1-CB 4.04Å; L19-P266 HydrophobicContact CD1-CG 3.93Å; L19-F268 HydrophobicContact CD2-CZ 4.39Å; L19-I288 HydrophobicContact CB-CD1 4.41Å; L19-I288 HydrophobicContact CD1-CD1 4.12Å; L19-I288 HydrophobicContact CD2-CD1 3.74Å; L19-I288 HydrophobicContact CG-CD1 4.32Å
20S94.3Very high88.1Confident10 Ų1060.2 Ų60.27%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-143.2147.6176.558.60000112.1K3 I28 N29K3-S20 PolarHBondContact N-O 3.2Å; K3-S20 PolarHBondContact O-N 2.9Å; S20-I28 WeakPolarHBondContact CA-O 3.2Å; S20-N29 WeakPolarHBondContact CB-OD1 3.45Å
21E90.4Very high88.8Confident33 Ų3362.2 Ų62.215%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-146.9149.2172-17867.7-109.400108.7M1 V2 I23 I28 F61 I141M1-E21 VanDerWaalsContact CA-OE2 3.32Å; M1-E21 WeakPolarHBondContact CA-OE2 3.47Å; M1-E21 PolarHBondContact N-OE1 3.3Å; M1-E21 VanDerWaalsContact N-OE1 3.09Å; M1-E21 PolarHBondContact N-OE2 2.8Å; V2-E21 WeakPolarHBondContact CA-OE2 3.41Å; V2-E21 PolarHBondContact N-OE2 3.09Å; E21-I23 HydrophobicContact CG-CG1 4.13Å; E21-I28 HydrophobicContact CB-CG1 4.27Å; E21-I28 PolarHBondContact N-O 3.11Å; E21-I28 WeakPolarHBondContact O-CG1 3.35Å; E21-I28 PolarHBondContact O-N 3.26Å; E21-F61 HydrophobicContact CB-CE1 4.46Å; E21-F61 HydrophobicContact CB-CZ 4.36Å; E21-I141 HydrophobicContact CB-CD1 4.05Å; E21-I141 HydrophobicContact CB-CG2 4.33Å; E21-I141 HydrophobicContact CG-CD1 3.89Å; E21-I141 HydrophobicContact CG-CG1 4.24Å; E21-I141 HydrophobicContact CG-CG2 3.97Å
22S85.1Confident89.6Confident82 Ų8259 Ų5957%0.57329%0.291SS*.EExtended strand (participates in β ladder)trans-105.2114.1174.9-65.50000109.5L26S22-L26 CarbonylContact C-O 3.52Å; S22-L26 WeakPolarHBondContact CA-O 3.46Å
23I76Confident90.5Very high46 Ų4651.2 Ų51.224%0.23626%0.255CS..EExtended strand (participates in β ladder)trans-117119.3178.8-53.3171.2000108.5E21 H25 L26 I28 I141E21-I23 HydrophobicContact CG-CG1 4.13Å; I23-H25 PolarHBondContact O-N 3.4Å; I23-H25 VanDerWaalsContact O-N 3.16Å; I23-L26 PolarHBondContact N-O 3.01Å; I23-L26 WeakPolarHBondContact O-CA 3.08Å; I23-L26 WeakPolarHBondContact O-CB 3.15Å; I23-L26 PolarHBondContact O-N 2.92Å; I23-I28 HydrophobicContact CD1-CD1 3.78Å; I23-I28 HydrophobicContact CD1-CG1 4.28Å; I23-I141 HydrophobicContact CD1-CD1 3.59Å; I23-I141 HydrophobicContact CD1-CG1 4.15Å; I23-I141 HydrophobicContact CG1-CD1 4.24Å
24N71.1Confident91Very high141 Ų14146.5 Ų46.575%0.75424%0.237SC*.THydrogen-bonded Turntrans4944.5176.3-58.4-27.3000113.3L26N24-L26 PolarHBondContact O-N 3.32Å
25H74.5Confident91.3Very high199 Ų19945.7 Ų45.792%0.92123%0.233SC*.THydrogen-bonded Turntrans67.80.9-175.6-46.6-76.5000116.4I23I23-H25 PolarHBondContact O-N 3.4Å; I23-H25 VanDerWaalsContact O-N 3.16Å
26L81.4Confident91.5Very high100 Ų10045 Ų4552%0.52423%0.231SC..EExtended strand (participates in β ladder)trans-92.9128.8169.6-67.2163.8000109.4S22 I23 N24 K91S22-L26 CarbonylContact C-O 3.52Å; S22-L26 WeakPolarHBondContact CA-O 3.46Å; I23-L26 PolarHBondContact N-O 3.01Å; I23-L26 WeakPolarHBondContact O-CA 3.08Å; I23-L26 WeakPolarHBondContact O-CB 3.15Å; I23-L26 PolarHBondContact O-N 2.92Å; N24-L26 PolarHBondContact O-N 3.32Å; L26-K91 HydrophobicContact CD1-CB 4.41Å
27Q89.8Confident91.6Very high114 Ų11444.1 Ų44.153%0.53323%0.226SC..EExtended strand (participates in β ladder)trans-92.6120.7173.3-172.3176.82.300109.2N29Q27-N29 PolarHBondContact NE2-OD1 2.86Å
28I93.2Very high91.6Very high1 Ų144.3 Ų44.31%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-103.8149.317159.2163.1000110.6S20 E21 I23 E60 F61 K91 I141S20-I28 WeakPolarHBondContact CA-O 3.2Å; E21-I28 HydrophobicContact CB-CG1 4.27Å; E21-I28 PolarHBondContact N-O 3.11Å; E21-I28 WeakPolarHBondContact O-CG1 3.35Å; E21-I28 PolarHBondContact O-N 3.26Å; I23-I28 HydrophobicContact CD1-CD1 3.78Å; I23-I28 HydrophobicContact CD1-CG1 4.28Å; I28-E60 WeakPolarHBondContact CA-OE2 3.38Å; I28-E60 HydrophobicContact CB-CB 3.99Å; I28-E60 HydrophobicContact CG2-CB 4.28Å; I28-F61 HydrophobicContact CB-CE2 4.43Å; I28-F61 HydrophobicContact CD1-CD1 4.14Å; I28-F61 HydrophobicContact CD1-CD2 4.19Å; I28-F61 HydrophobicContact CD1-CE1 3.77Å; I28-F61 HydrophobicContact CD1-CE2 3.83Å; I28-F61 HydrophobicContact CD1-CG 4.35Å; I28-F61 HydrophobicContact CD1-CZ 3.61Å; I28-F61 HydrophobicContact CG1-CE1 4.44Å; I28-F61 HydrophobicContact CG1-CE2 4.01Å; I28-F61 HydrophobicContact CG1-CZ 3.83Å; I28-K91 WeakPolarHBondContact CG2-O 3.37Å; I28-I141 HydrophobicContact CD1-CD1 3.75Å
29N95.4Very high91.6Very high42 Ų4242 Ų4223%0.22522%0.217CC..EExtended strand (participates in β ladder)trans-141.8148.6-173.6-53-80.2000112.4K18 L19 S20 Q27 E60K18-N29 VanDerWaalsContact CE-CB 3.48Å; K18-N29 WeakPolarHBondContact CE-OD1 3.47Å; K18-N29 PolarHBondContact NZ-OD1 3.15Å; L19-N29 CarbonylContact O-C 3.42Å; L19-N29 VanDerWaalsContact O-CA 3.27Å; L19-N29 WeakPolarHBondContact O-CA 3.42Å; S20-N29 WeakPolarHBondContact CB-OD1 3.45Å; Q27-N29 PolarHBondContact NE2-OD1 2.86Å; N29-E60 PolarHBondContact N-OE2 2.83Å
30L96.7Very high91.5Very high14 Ų1444.3 Ų44.37%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-137.6122170.2-179.366.7000109.3K18 L19 L36 P59 F61 I288K18-L30 CarbonylContact C-O 3.51Å; K18-L30 WeakPolarHBondContact CA-O 3.44Å; L19-L30 HydrophobicContact CB-CB 4.16Å; L19-L30 PolarHBondContact N-O 3.14Å; L19-L30 PolarHBondContact O-N 3.11Å; L30-L36 HydrophobicContact CD2-CD2 4.29Å; L30-P59 HydrophobicContact CD1-CB 4.41Å; L30-F61 HydrophobicContact CB-CD2 3.68Å; L30-F61 HydrophobicContact CB-CE2 3.96Å; L30-I288 HydrophobicContact CD2-CD1 4.38Å; L30-I288 HydrophobicContact CD2-CG1 4.29Å; L30-I288 HydrophobicContact CD2-CG2 4.37Å
31Q97.6Very high91.1Very high83 Ų8346.4 Ų46.439%0.38823%0.232SC..EExtended strand (participates in β ladder)trans-76.3138.1173.9-60.3-64.3-26.900109.8G17 P33G17-Q31 PolarHBondContact O-OE1 3.01Å; Q31-P33 CarbonylContact O-C 3.59Å
32T97.7Very high91Very high1 Ų145 Ų451%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-112.5144.3-179.271.70000111.7F4 L16 G17 D287 I288F4-T32 HydrophobicContact CE2-CG2 3.82Å; F4-T32 HydrophobicContact CZ-CG2 4.46Å; L16-T32 WeakPolarHBondContact CA-O 3.49Å; L16-T32 WeakPolarHBondContact CD2-O 3.49Å; G17-T32 VanDerWaalsContact C-OG1 3.3Å; G17-T32 WeakPolarHBondContact CA-OG1 3.43Å; G17-T32 PolarHBondContact N-O 3.02Å; G17-T32 PolarHBondContact N-OG1 3.18Å; G17-T32 PolarHBondContact O-N 3.26Å; G17-T32 PolarHBondContact O-OG1 3.33Å; T32-D287 WeakPolarHBondContact CB-O 2.92Å; T32-D287 HydrophobicContact CG2-CB 4.1Å; T32-I288 HydrophobicContact CG2-CD1 4.36Å; T32-I288 HydrophobicContact CG2-CG1 3.91Å
33P97.9Very high91.4Very high1 Ų144.3 Ų44.31%0.00622%0.221CC..SBendcis-63.1140.4-4.827.1-37.3000113.4Q31 A282 D287 F289 L390 R391 I394Q31-P33 CarbonylContact O-C 3.59Å; P33-A282 HydrophobicContact CB-CB 4.04Å; P33-A282 HydrophobicContact CG-CB 4.19Å; P33-D287 VanDerWaalsContact CA-O 3.25Å; P33-D287 WeakPolarHBondContact CA-O 3.27Å; P33-F289 HydrophobicContact CB-CE2 4.33Å; P33-L390 HydrophobicContact CB-CD2 3.88Å; P33-L390 HydrophobicContact CB-CG 4.44Å; P33-L390 HydrophobicContact CG-CD2 3.7Å; P33-L390 HydrophobicContact CG-CG 3.7Å; P33-R391 HydrophobicContact CG-CG 4.13Å; P33-R391 WeakPolarHBondContact O-CD 3.49Å; P33-R391 VanDerWaalsContact O-CG 3.26Å; P33-R391 WeakPolarHBondContact O-CG 2.97Å; P33-R391 PolarHBondContact O-NH1 3.41Å; P33-R391 VanDerWaalsContact O-NH1 3.13Å; P33-I394 HydrophobicContact CG-CD1 3.6Å
34G98Very high92.4Very high1 Ų142.3 Ų42.31%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-153169.5-175.600000112.2D287 I288 F289 F387G34-D287 PolarHBondContact N-O 3.49Å; G34-I288 WeakPolarHBondContact O-CA 3.5Å; G34-F289 WeakPolarHBondContact O-CD2 3.16Å; G34-F289 PolarHBondContact O-N 3.08Å; G34-F387 VanDerWaalsContact C-CE1 3.47Å; G34-F387 VanDerWaalsContact CA-CD1 3.42Å
35C98.5Very high93.6Very high3 Ų336.2 Ų36.22%0.0218%0.18CC..EExtended strand (participates in β ladder)trans-115.2155.8173.262.50000111.9P59 F289 Y383 F387C35-P59 WeakPolarHBondContact O-CB 3.43Å; C35-P59 WeakPolarHBondContact O-CG 3.44Å; C35-F289 WeakPolarHBondContact CA-O 3.49Å; C35-F289 HydrophobicContact CB-CB 4.45Å; C35-Y383 HydrophobicContact CB-CE1 3.69Å; C35-Y383 WeakPolarHBondContact SG-CE1 3.49Å; C35-F387 HydrophobicContact CB-CD2 3.98Å; C35-F387 HydrophobicContact CB-CE2 3.49Å; C35-F387 VanDerWaalsContact CB-CE2 3.49Å; C35-F387 HydrophobicContact CB-CZ 3.78Å
36L98.2Very high94.6Very high1 Ų129 Ų291%0.00515%0.146CC..  trans-75.5155.6166.7-57.5177.5000110.7L30 Y38 F61 F63 V95 F97 I288 F289 G291L30-L36 HydrophobicContact CD2-CD2 4.29Å; L36-Y38 PolarHBondContact O-N 3.13Å; L36-F61 CarbonylContact C-O 3.55Å; L36-F61 WeakPolarHBondContact CA-O 3.44Å; L36-F61 HydrophobicContact CD2-CB 3.62Å; L36-F63 HydrophobicContact CB-CB 4.08Å; L36-F63 HydrophobicContact CD1-CB 4.12Å; L36-F63 HydrophobicContact CD1-CD2 4.16Å; L36-V95 HydrophobicContact CD1-CB 4.1Å; L36-V95 HydrophobicContact CD1-CG1 4.39Å; L36-V95 HydrophobicContact CD1-CG2 4.4Å; L36-V95 HydrophobicContact CD2-CG2 4.11Å; L36-F97 HydrophobicContact CD1-CE2 3.47Å; L36-F97 VanDerWaalsContact CD1-CE2 3.47Å; L36-F97 HydrophobicContact CD1-CZ 3.78Å; L36-I288 HydrophobicContact CD1-CG2 4.43Å; L36-I288 HydrophobicContact CD2-CG2 3.85Å; L36-I288 HydrophobicContact CG-CG2 3.81Å; L36-F289 PolarHBondContact N-O 3.42Å; L36-G291 WeakPolarHBondContact O-CA 3.46Å
37L98Very high95.4Very high2 Ų224.6 Ų24.61%0.0112%0.122CC..BIsolated β-bridgetrans-71.1106.7163.6175.360.5000107.8T39 V44 L58 P59 F61 S62 F63 R92 Y384L37-T39 PolarHBondContact O-N 2.96Å; L37-V44 HydrophobicContact CD1-CG1 4.34Å; L37-V44 HydrophobicContact CD1-CG2 3.82Å; L37-V44 HydrophobicContact CD2-CG2 3.71Å; L37-V44 HydrophobicContact CG-CG2 3.86Å; L37-L58 HydrophobicContact CD1-CD1 3.82Å; L37-L58 HydrophobicContact CD2-CD1 4.37Å; L37-P59 HydrophobicContact CB-CB 4.14Å; L37-P59 HydrophobicContact CB-CG 4.46Å; L37-F61 PolarHBondContact N-O 3.35Å; L37-S62 CarbonylContact O-C 3.6Å; L37-S62 VanDerWaalsContact O-CA 3.27Å; L37-S62 WeakPolarHBondContact O-CA 3.45Å; L37-F63 PolarHBondContact O-N 3.09Å; L37-R92 VanDerWaalsContact CD2-NE 3.27Å; L37-Y384 WeakPolarHBondContact CD1-OH 3.14Å
38Y98.1Very high95.6Very high5 Ų521.6 Ų21.62%0.0211%0.113CC..  trans-66.5125.1179.8176.2-105.5000110.9L36 R40 P45 F63 D100 P101 T102 G291 Y295L36-Y38 PolarHBondContact O-N 3.13Å; Y38-R40 HydrophobicContact CE1-CB 4.15Å; Y38-P45 HydrophobicContact CD1-CG 3.92Å; Y38-P45 HydrophobicContact CE1-CG 3.79Å; Y38-P45 WeakPolarHBondContact O-CD 3.35Å; Y38-F63 HydrophobicContact CD2-CB 4.45Å; Y38-F63 HydrophobicContact CD2-CD1 4.06Å; Y38-F63 HydrophobicContact CD2-CG 4.27Å; Y38-F63 HydrophobicContact CE2-CD1 4.19Å; Y38-F63 HydrophobicContact CE2-CE1 4.44Å; Y38-D100 PolarHBondContact OH-OD1 3.04Å; Y38-D100 PolarHBondContact OH-OD2 2.9Å; Y38-P101 HydrophobicContact CD2-CG 4.25Å; Y38-P101 HydrophobicContact CE2-CG 3.84Å; Y38-T102 HydrophobicContact CE1-CG2 4.06Å; Y38-T102 HydrophobicContact CE2-CG2 4.04Å; Y38-T102 VanDerWaalsContact OH-CG2 3.29Å; Y38-T102 WeakPolarHBondContact OH-CG2 3.49Å; Y38-T102 PolarHBondContact OH-OG1 2.95Å; Y38-G291 WeakPolarHBondContact CB-O 3.44Å; Y38-Y295 HydrophobicContact CD1-CG 4.28Å; Y38-Y295 AromaticContact CE1-CD1 3.77Å; Y38-Y295 HydrophobicContact CE1-CD1 3.77Å; Y38-Y295 AromaticContact CE1-CG 3.76Å; Y38-Y295 HydrophobicContact CE1-CG 3.76Å
39T96.9Very high95.7Very high2 Ų224.4 Ų24.41%0.01213%0.131CC..  trans-118.8142.1170.979.80000109.4L37 S43 V44 F63 L89L37-T39 PolarHBondContact O-N 2.96Å; T39-S43 CarbonylContact C-O 3.57Å; T39-S43 VanDerWaalsContact CA-O 3.22Å; T39-S43 WeakPolarHBondContact CA-O 3.34Å; T39-S43 WeakPolarHBondContact CB-O 3.1Å; T39-V44 HydrophobicContact CG2-CG2 4.49Å; T39-F63 WeakPolarHBondContact CB-O 3.26Å; T39-F63 PolarHBondContact OG1-O 3.16Å; T39-L89 HydrophobicContact CG2-CD1 4.41Å; T39-L89 HydrophobicContact CG2-CD2 3.9Å
40R91.8Very high95.7Very high49 Ų4927.4 Ų27.419%0.18515%0.147CC..BIsolated β-bridgetrans-115.3122.2170.4-173.8165.3164.6172-21.7107.8Y38 G42 S43 P45 H103 Y295Y38-R40 HydrophobicContact CE1-CB 4.15Å; R40-G42 PolarHBondContact O-N 3.36Å; R40-S43 PolarHBondContact N-O 3.22Å; R40-S43 PolarHBondContact O-N 2.84Å; R40-P45 HydrophobicContact CB-CG 4.07Å; R40-H103 PolarHBondContact NH1-NE2 2.99Å; R40-H103 PolarHBondContact NH2-NE2 3.1Å; R40-Y295 PolarHBondContact NH1-OH 3.45Å
41Y87.4Confident95.7Very high55 Ų5528.3 Ų28.322%0.21615%0.154CC..THydrogen-bonded Turntrans53.940.2-173.6-49.4-58.5000113.8S43 Y68 H103 T120Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.18Å; Y41-Y68 VanDerWaalsContact C-CD2 3.44Å; Y41-Y68 VanDerWaalsContact CB-CD2 3.49Å; Y41-Y68 AromaticContact CD1-CD2 3.95Å; Y41-Y68 HydrophobicContact CD1-CD2 3.95Å; Y41-Y68 HydrophobicContact CG-CD2 4.21Å; Y41-Y68 WeakPolarHBondContact O-CE2 3.4Å; Y41-Y68 PolarHBondContact O-OH 2.83Å; Y41-H103 PolarHBondContact OH-CE1 2.82Å; Y41-T120 HydrophobicContact CD1-CG2 4.46Å; Y41-T120 HydrophobicContact CD2-CG2 4.42Å; Y41-T120 HydrophobicContact CE1-CG2 3.74Å; Y41-T120 HydrophobicContact CE2-CG2 3.68Å; Y41-T120 VanDerWaalsContact OH-CG2 3.27Å; Y41-T120 WeakPolarHBondContact OH-CG2 3.32Å
42G87.7Confident95.6Very high3 Ų324.6 Ų24.63%0.03114%0.136CC..THydrogen-bonded Turntrans84-15.5177.400000114.9R40 A87 L89R40-G42 PolarHBondContact O-N 3.36Å; G42-A87 VanDerWaalsContact O-CB 3.26Å; G42-A87 WeakPolarHBondContact O-CB 3.44Å; G42-L89 WeakPolarHBondContact O-CD2 3.35Å
43S94Very high95.5Very high67 Ų6728.6 Ų28.647%0.46916%0.155SC..BIsolated β-bridgetrans-107.2148.3-179.2-59.90000111.8T39 R40 Y41 P45T39-S43 CarbonylContact C-O 3.57Å; T39-S43 VanDerWaalsContact CA-O 3.22Å; T39-S43 WeakPolarHBondContact CA-O 3.34Å; T39-S43 WeakPolarHBondContact CB-O 3.1Å; R40-S43 PolarHBondContact N-O 3.22Å; R40-S43 PolarHBondContact O-N 2.84Å; Y41-S43 VanDerWaalsContact C-N 3.26Å; Y41-S43 PolarHBondContact O-N 3.18Å; S43-P45 WeakPolarHBondContact O-CD 3.48Å
44V96.5Very high95.5Very high5 Ų536.4 Ų36.43%0.0319%0.189CC..  trans-63.5125165-178.90000107.2L37 T39 F46 L47 Y52 M376L37-V44 HydrophobicContact CD1-CG1 4.34Å; L37-V44 HydrophobicContact CD1-CG2 3.82Å; L37-V44 HydrophobicContact CD2-CG2 3.71Å; L37-V44 HydrophobicContact CG-CG2 3.86Å; T39-V44 HydrophobicContact CG2-CG2 4.49Å; V44-F46 PolarHBondContact O-N 2.83Å; V44-L47 HydrophobicContact CG1-CB 4.17Å; V44-L47 HydrophobicContact CG1-CD1 4.43Å; V44-L47 PolarHBondContact O-N 2.87Å; V44-Y52 HydrophobicContact CB-CD1 3.64Å; V44-Y52 HydrophobicContact CB-CE1 4Å; V44-Y52 HydrophobicContact CB-CG 4.34Å; V44-Y52 HydrophobicContact CG1-CD1 4.26Å; V44-Y52 HydrophobicContact CG2-CD1 3.49Å; V44-Y52 VanDerWaalsContact CG2-CD1 3.49Å; V44-Y52 HydrophobicContact CG2-CD2 4.47Å; V44-Y52 HydrophobicContact CG2-CE1 3.54Å; V44-Y52 HydrophobicContact CG2-CG 3.99Å; V44-M376 HydrophobicContact CG1-CE 3.97Å
45P95.8Very high95.5Very high13 Ų1337 Ų378%0.08419%0.191CC..THydrogen-bonded Turntrans-53.7135.4-178.1-2834.8000111.9Y38 R40 S43 L47 Y295 M376Y38-P45 HydrophobicContact CD1-CG 3.92Å; Y38-P45 HydrophobicContact CE1-CG 3.79Å; Y38-P45 WeakPolarHBondContact O-CD 3.35Å; R40-P45 HydrophobicContact CB-CG 4.07Å; S43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-L47 PolarHBondContact O-N 3Å; P45-Y295 HydrophobicContact CB-CD2 3.34Å; P45-Y295 HydrophobicContact CB-CE2 3.87Å; P45-Y295 HydrophobicContact CB-CG 4.21Å; P45-Y295 HydrophobicContact CG-CD2 3.56Å; P45-Y295 HydrophobicContact CG-CE2 4.22Å; P45-Y295 HydrophobicContact CG-CG 3.97Å; P45-M376 HydrophobicContact CB-CE 4.24Å; P45-M376 HydrophobicContact CG-CE 4.28Å; P45-M376 WeakPolarHBondContact O-CG 3.35Å
46F96.3Very high95.3Very high47 Ų4741.8 Ų41.821%0.20621%0.213CC..THydrogen-bonded Turntrans64.5-22.7178.9-41.3-61.9000116.6V44 Y295 R299 M369 P372 M373 M376 T421V44-F46 PolarHBondContact O-N 2.83Å; F46-Y295 AromaticContact CE2-CD2 3.75Å; F46-Y295 HydrophobicContact CE2-CD2 3.75Å; F46-Y295 AromaticContact CE2-CE2 3.9Å; F46-Y295 HydrophobicContact CE2-CE2 3.9Å; F46-Y295 HydrophobicContact CZ-CD2 4.13Å; F46-Y295 AromaticContact CZ-CE2 3.78Å; F46-Y295 HydrophobicContact CZ-CE2 3.78Å; F46-R299 HydrophobicContact CZ-CB 4.48Å; F46-M369 HydrophobicContact CD1-CE 3.87Å; F46-M369 HydrophobicContact CE1-CE 4.16Å; F46-P372 HydrophobicContact CD1-CB 4.07Å; F46-P372 HydrophobicContact CD1-CG 4.28Å; F46-P372 HydrophobicContact CD2-CB 4.18Å; F46-P372 HydrophobicContact CE1-CB 4.01Å; F46-P372 HydrophobicContact CE1-CG 4.35Å; F46-P372 HydrophobicContact CE2-CB 4.1Å; F46-P372 HydrophobicContact CG-CB 4.14Å; F46-P372 HydrophobicContact CZ-CB 4.02Å; F46-M373 HydrophobicContact CB-CG 3.84Å; F46-M373 WeakPolarHBondContact O-CG 3.47Å; F46-M376 HydrophobicContact CB-CB 4.47Å; F46-M376 HydrophobicContact CD2-CB 3.94Å; F46-M376 HydrophobicContact CD2-CG 4.14Å; F46-M376 HydrophobicContact CD2-SD 4.41Å; F46-T421 HydrophobicContact CE1-CG2 3.98Å; F46-T421 HydrophobicContact CZ-CG2 3.91Å
47L97.2Very high95.2Very high7 Ų746.8 Ų46.84%0.03724%0.239CC..  trans-108.5122-169.5-54.8-175.8000112V44 P45 V51 Y52 I55 M373 M376 I377V44-L47 HydrophobicContact CG1-CB 4.17Å; V44-L47 HydrophobicContact CG1-CD1 4.43Å; V44-L47 PolarHBondContact O-N 2.87Å; P45-L47 PolarHBondContact O-N 3Å; L47-V51 HydrophobicContact CD2-CG1 3.96Å; L47-Y52 HydrophobicContact CB-CD1 4.3Å; L47-Y52 WeakPolarHBondContact O-CD1 3.46Å; L47-I55 HydrophobicContact CD1-CD1 3.8Å; L47-M373 HydrophobicContact CD2-CB 4.18Å; L47-M373 HydrophobicContact CD2-CG 4.45Å; L47-M376 HydrophobicContact CD1-CB 4.17Å; L47-M376 HydrophobicContact CD1-CG 3.69Å; L47-M376 HydrophobicContact CD2-CB 4.27Å; L47-M376 HydrophobicContact CD2-CG 4.48Å; L47-M376 HydrophobicContact CG-CB 4.15Å; L47-M376 HydrophobicContact CG-CG 3.82Å; L47-I377 HydrophobicContact CD1-CG1 3.93Å; L47-I377 HydrophobicContact CD2-CD1 4.24Å; L47-I377 HydrophobicContact CD2-CG1 3.72Å
48P95.3Very high95.2Very high52 Ų5248 Ų4834%0.33825%0.246SC..  trans-71.7162.2167.432.5-35.6000111.2D50 V51 Y52P48-D50 WeakPolarHBondContact CB-OD1 3.39Å; P48-D50 WeakPolarHBondContact CG-OD1 3.21Å; P48-D50 PolarHBondContact O-N 2.84Å; P48-V51 HydrophobicContact CG-CB 4.12Å; P48-V51 HydrophobicContact CG-CG2 3.69Å; P48-V51 PolarHBondContact O-N 2.79Å; P48-Y52 VanDerWaalsContact O-CD1 3.3Å; P48-Y52 WeakPolarHBondContact O-CD1 3.24Å; P48-Y52 PolarHBondContact O-N 3.22Å; P48-Y52 VanDerWaalsContact O-N 3.09Å
49P94.9Very high95.1Very high60 Ų6048.1 Ų48.139%0.3925%0.247SC..Hα-helixtrans-52.9-45.3-176.7-28.435.9000116.1V51 Y52 E53P49-V51 PolarHBondContact O-N 3.49Å; P49-V51 VanDerWaalsContact O-N 3.14Å; P49-Y52 VanDerWaalsContact CA-CZ 3.47Å; P49-Y52 HydrophobicContact CB-CE1 3.94Å; P49-Y52 HydrophobicContact CB-CE2 4.49Å; P49-Y52 HydrophobicContact CG-CE1 3.92Å; P49-Y52 PolarHBondContact O-N 2.99Å; P49-E53 VanDerWaalsContact O-CB 3.3Å; P49-E53 WeakPolarHBondContact O-CB 3.38Å; P49-E53 WeakPolarHBondContact O-CG 3.34Å; P49-E53 PolarHBondContact O-N 3.18Å
50D94.9Very high95.1Very high104 Ų10449.9 Ų49.956%0.55626%0.255SS*.Hα-helixtrans-62.5-21179.363.4-51.9000113.9P48 K54P48-D50 WeakPolarHBondContact CB-OD1 3.39Å; P48-D50 WeakPolarHBondContact CG-OD1 3.21Å; P48-D50 PolarHBondContact O-N 2.84Å; D50-K54 VanDerWaalsContact O-CE 3.26Å; D50-K54 WeakPolarHBondContact O-CE 3.48Å
51V96.5Very high95.3Very high34 Ų3447.6 Ų47.621%0.20625%0.247CC..Hα-helixtrans-89.8-53.5176176.20000110.9L47 P48 P49 E53 K54 I377L47-V51 HydrophobicContact CD2-CG1 3.96Å; P48-V51 HydrophobicContact CG-CB 4.12Å; P48-V51 HydrophobicContact CG-CG2 3.69Å; P48-V51 PolarHBondContact O-N 2.79Å; P49-V51 PolarHBondContact O-N 3.49Å; P49-V51 VanDerWaalsContact O-N 3.14Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 2.86Å; V51-K54 WeakPolarHBondContact O-CB 3.17Å; V51-K54 PolarHBondContact O-N 3.38Å; V51-I377 HydrophobicContact CG1-CD1 3.72Å; V51-I377 HydrophobicContact CG1-CG1 4.04Å
52Y96.4Very high95.8Very high4 Ų445 Ų452%0.01624%0.236CC..Hα-helixtrans-67.3-29.6-175.568.9-118.6000112.3V44 L47 P48 P49 K54 I55 L58 G88V44-Y52 HydrophobicContact CB-CD1 3.64Å; V44-Y52 HydrophobicContact CB-CE1 4Å; V44-Y52 HydrophobicContact CB-CG 4.34Å; V44-Y52 HydrophobicContact CG1-CD1 4.26Å; V44-Y52 HydrophobicContact CG2-CD1 3.49Å; V44-Y52 VanDerWaalsContact CG2-CD1 3.49Å; V44-Y52 HydrophobicContact CG2-CD2 4.47Å; V44-Y52 HydrophobicContact CG2-CE1 3.54Å; V44-Y52 HydrophobicContact CG2-CG 3.99Å; L47-Y52 HydrophobicContact CB-CD1 4.3Å; L47-Y52 WeakPolarHBondContact O-CD1 3.46Å; P48-Y52 VanDerWaalsContact O-CD1 3.3Å; P48-Y52 WeakPolarHBondContact O-CD1 3.24Å; P48-Y52 PolarHBondContact O-N 3.22Å; P48-Y52 VanDerWaalsContact O-N 3.09Å; P49-Y52 VanDerWaalsContact CA-CZ 3.47Å; P49-Y52 HydrophobicContact CB-CE1 3.94Å; P49-Y52 HydrophobicContact CB-CE2 4.49Å; P49-Y52 HydrophobicContact CG-CE1 3.92Å; P49-Y52 PolarHBondContact O-N 2.99Å; Y52-K54 PolarHBondContact O-N 2.94Å; Y52-K54 VanDerWaalsContact O-N 3.09Å; Y52-I55 WeakPolarHBondContact O-CB 3.36Å; Y52-I55 WeakPolarHBondContact O-CG1 2.97Å; Y52-I55 PolarHBondContact O-N 3.09Å; Y52-L58 HydrophobicContact CD2-CD2 3.85Å; Y52-L58 HydrophobicContact CE2-CD2 4.48Å; Y52-L58 VanDerWaalsContact O-CD2 3.32Å; Y52-L58 WeakPolarHBondContact O-CD2 3.37Å; Y52-G88 PolarHBondContact OH-O 2.9Å
53E96.4Very high96.2Very high85 Ų8544.8 Ų44.840%0.39724%0.235SC..THydrogen-bonded Turntrans-64-14.1178-70.1-70.7-178.900113.2P49 V51 R92P49-E53 VanDerWaalsContact O-CB 3.3Å; P49-E53 WeakPolarHBondContact O-CB 3.38Å; P49-E53 WeakPolarHBondContact O-CG 3.34Å; P49-E53 PolarHBondContact O-N 3.18Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 2.86Å; E53-R92 IonicContact OE1-CZ 3.56Å; E53-R92 VanDerWaalsContact OE1-CZ 3.3Å; E53-R92 IonicContact OE1-NH1 2.7Å; E53-R92 PolarHBondContact OE1-NH1 2.9Å; E53-R92 IonicContact OE1-NH2 2.7Å; E53-R92 PolarHBondContact OE1-NH2 3.27Å; E53-R92 IonicContact OE2-CZ 3.81Å; E53-R92 IonicContact OE2-NH1 3.55Å; E53-R92 IonicContact OE2-NH2 3.47Å; E53-R92 PolarHBondContact OE2-NH2 2.95Å
54K96.7Very high96.3Very high166 Ų16641.7 Ų41.772%0.72221%0.213SC*.THydrogen-bonded Turntrans-86.4-7.8174.8-61.3176.9-178.4172.10113.1D50 V51 Y52 E56D50-K54 VanDerWaalsContact O-CE 3.26Å; D50-K54 WeakPolarHBondContact O-CE 3.48Å; V51-K54 WeakPolarHBondContact O-CB 3.17Å; V51-K54 PolarHBondContact O-N 3.38Å; Y52-K54 PolarHBondContact O-N 2.94Å; Y52-K54 VanDerWaalsContact O-N 3.09Å; K54-E56 PolarHBondContact O-N 3.25Å
55I97.3Very high96.3Very high14 Ų1442 Ų427%0.07222%0.215CC..SBendtrans-75.5124.4178.9-59174.2000108.6L47 Y52 L58 I377 H381 Y384L47-I55 HydrophobicContact CD1-CD1 3.8Å; Y52-I55 WeakPolarHBondContact O-CB 3.36Å; Y52-I55 WeakPolarHBondContact O-CG1 2.97Å; Y52-I55 PolarHBondContact O-N 3.09Å; I55-L58 WeakPolarHBondContact O-CB 3.41Å; I55-I377 HydrophobicContact CG1-CG2 4.37Å; I55-H381 HydrophobicContact CG2-CB 4.21Å; I55-Y384 HydrophobicContact CG2-CD2 3.94Å; I55-Y384 HydrophobicContact CG2-CE2 3.86Å
56E96.1Very high96.3Very high102 Ų10241.3 Ų41.348%0.47721%0.211SC..THydrogen-bonded Turntrans-60.9147.1175.9-63.8-177.1167.400111.7K54 L58 N348 H381K54-E56 PolarHBondContact O-N 3.25Å; E56-L58 PolarHBondContact O-N 3.46Å; E56-N348 PolarHBondContact OE1-ND2 3.32Å; E56-N348 VanDerWaalsContact OE1-ND2 3.15Å; E56-N348 PolarHBondContact OE2-ND2 3.3Å; E56-H381 IonicContact OE2-CE1 2.77Å
57L95.7Very high96.2Very high106 Ų10639.1 Ų39.156%0.55520%0.201SC*.THydrogen-bonded Turntrans61.320.9176-53.2173000115.3R385L57-R385 HydrophobicContact CD1-CG 4.43Å
58L96.5Very high96Very high27 Ų2739.7 Ų39.714%0.14120%0.203CC..  trans-57.9131.2-179.5-173.269.2000113.2L37 Y52 I55 E56 Y384L37-L58 HydrophobicContact CD1-CD1 3.82Å; L37-L58 HydrophobicContact CD2-CD1 4.37Å; Y52-L58 HydrophobicContact CD2-CD2 3.85Å; Y52-L58 HydrophobicContact CE2-CD2 4.48Å; Y52-L58 VanDerWaalsContact O-CD2 3.32Å; Y52-L58 WeakPolarHBondContact O-CD2 3.37Å; I55-L58 WeakPolarHBondContact O-CB 3.41Å; E56-L58 PolarHBondContact O-N 3.46Å; L58-Y384 HydrophobicContact CB-CE2 4.48Å; L58-Y384 HydrophobicContact CD1-CE2 3.69Å
59P97.3Very high96Very high8 Ų837.2 Ų37.25%0.05219%0.187CC..  trans-64140.3179.7-24.433.8000114.2L30 C35 L37 R92 Y384L30-P59 HydrophobicContact CD1-CB 4.41Å; C35-P59 WeakPolarHBondContact O-CB 3.43Å; C35-P59 WeakPolarHBondContact O-CG 3.44Å; L37-P59 HydrophobicContact CB-CB 4.14Å; L37-P59 HydrophobicContact CB-CG 4.46Å; P59-R92 PolarHBondContact O-NE 3.03Å; P59-R92 VanDerWaalsContact O-NE 3.11Å; P59-Y384 VanDerWaalsContact CD-CE1 3.46Å; P59-Y384 HydrophobicContact CG-CD1 4.09Å; P59-Y384 HydrophobicContact CG-CE1 3.65Å
60E95.9Very high96Very high39 Ų3935 Ų3518%0.18217%0.174CC..SBendtrans-87.1-7.5176.9-58.1-164.5116.900113.6I28 N29 K91 R92 G93I28-E60 WeakPolarHBondContact CA-OE2 3.38Å; I28-E60 HydrophobicContact CB-CB 3.99Å; I28-E60 HydrophobicContact CG2-CB 4.28Å; N29-E60 PolarHBondContact N-OE2 2.83Å; E60-K91 WeakPolarHBondContact OE1-CE 3.38Å; E60-K91 IonicContact OE1-NZ 2.68Å; E60-K91 PolarHBondContact OE1-NZ 3Å; E60-R92 VanDerWaalsContact O-CA 3.23Å; E60-R92 WeakPolarHBondContact O-CA 3.28Å; E60-R92 VanDerWaalsContact O-CB 3.27Å; E60-R92 WeakPolarHBondContact O-CB 3.47Å; E60-R92 WeakPolarHBondContact O-CG 3.45Å; E60-G93 PolarHBondContact O-N 3.18Å
61F96.7Very high96Very high1 Ų132.9 Ų32.90%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-112.2131.1173.4-68.9-103.6000109.3L19 E21 I28 L30 L36 L37 G93 V95 I141L19-F61 HydrophobicContact CB-CZ 4.48Å; L19-F61 HydrophobicContact CD2-CD1 3.87Å; L19-F61 HydrophobicContact CD2-CD2 4.43Å; L19-F61 HydrophobicContact CD2-CE1 3.65Å; L19-F61 HydrophobicContact CD2-CE2 4.23Å; L19-F61 HydrophobicContact CD2-CG 4.25Å; L19-F61 HydrophobicContact CD2-CZ 3.84Å; L19-F61 HydrophobicContact CG-CE1 4.34Å; L19-F61 HydrophobicContact CG-CZ 4.14Å; E21-F61 HydrophobicContact CB-CE1 4.46Å; E21-F61 HydrophobicContact CB-CZ 4.36Å; I28-F61 HydrophobicContact CB-CE2 4.43Å; I28-F61 HydrophobicContact CD1-CD1 4.14Å; I28-F61 HydrophobicContact CD1-CD2 4.19Å; I28-F61 HydrophobicContact CD1-CE1 3.77Å; I28-F61 HydrophobicContact CD1-CE2 3.83Å; I28-F61 HydrophobicContact CD1-CG 4.35Å; I28-F61 HydrophobicContact CD1-CZ 3.61Å; I28-F61 HydrophobicContact CG1-CE1 4.44Å; I28-F61 HydrophobicContact CG1-CE2 4.01Å; I28-F61 HydrophobicContact CG1-CZ 3.83Å; L30-F61 HydrophobicContact CB-CD2 3.68Å; L30-F61 HydrophobicContact CB-CE2 3.96Å; L36-F61 CarbonylContact C-O 3.55Å; L36-F61 WeakPolarHBondContact CA-O 3.44Å; L36-F61 HydrophobicContact CD2-CB 3.62Å; L37-F61 PolarHBondContact N-O 3.35Å; F61-G93 CarbonylContact C-O 3.51Å; F61-G93 VanDerWaalsContact CA-O 3.3Å; F61-G93 WeakPolarHBondContact CA-O 3.38Å; F61-V95 HydrophobicContact CD1-CG2 4.24Å; F61-I141 HydrophobicContact CD1-CD1 4.33Å; F61-I141 HydrophobicContact CE1-CD1 3.97Å
62S97.2Very high95.8Very high0 Ų034.6 Ų34.60%016%0.164CC..EExtended strand (participates in β ladder)trans-107.7137.6-178.460.80000111.7L37 G93 A94 V95L37-S62 CarbonylContact O-C 3.6Å; L37-S62 VanDerWaalsContact O-CA 3.27Å; L37-S62 WeakPolarHBondContact O-CA 3.45Å; S62-G93 PolarHBondContact N-O 2.86Å; S62-G93 PolarHBondContact OG-O 2.91Å; S62-A94 WeakPolarHBondContact O-CA 3.41Å; S62-V95 PolarHBondContact O-N 3.38Å
63F97.7Very high95.7Very high0 Ų038.8 Ų38.80%018%0.179CC..EExtended strand (participates in β ladder)trans-68.7135.3167.1-177.1-80.8000109.4L36 L37 Y38 T39 C65 F97 S99 P101 T270 D290L36-F63 HydrophobicContact CB-CB 4.08Å; L36-F63 HydrophobicContact CD1-CB 4.12Å; L36-F63 HydrophobicContact CD1-CD2 4.16Å; L37-F63 PolarHBondContact O-N 3.09Å; Y38-F63 HydrophobicContact CD2-CB 4.45Å; Y38-F63 HydrophobicContact CD2-CD1 4.06Å; Y38-F63 HydrophobicContact CD2-CG 4.27Å; Y38-F63 HydrophobicContact CE2-CD1 4.19Å; Y38-F63 HydrophobicContact CE2-CE1 4.44Å; T39-F63 WeakPolarHBondContact CB-O 3.26Å; T39-F63 PolarHBondContact OG1-O 3.16Å; F63-C65 HydrophobicContact CE1-CB 4.18Å; F63-F97 AromaticContact CD2-CD2 3.3Å; F63-F97 HydrophobicContact CD2-CD2 3.3Å; F63-F97 AromaticContact CD2-CE2 3.43Å; F63-F97 HydrophobicContact CD2-CE2 3.43Å; F63-F97 VanDerWaalsContact CD2-CE2 3.43Å; F63-F97 HydrophobicContact CD2-CG 4.11Å; F63-F97 HydrophobicContact CD2-CZ 4.33Å; F63-F97 HydrophobicContact CE1-CD2 4.46Å; F63-F97 HydrophobicContact CE2-CB 3.75Å; F63-F97 HydrophobicContact CE2-CD1 4.2Å; F63-F97 AromaticContact CE2-CD2 3.09Å; F63-F97 HydrophobicContact CE2-CD2 3.09Å; F63-F97 AromaticContact CE2-CE2 3.62Å; F63-F97 HydrophobicContact CE2-CE2 3.62Å; F63-F97 AromaticContact CE2-CG 3.42Å; F63-F97 HydrophobicContact CE2-CG 3.42Å; F63-F97 VanDerWaalsContact CE2-CG 3.42Å; F63-F97 HydrophobicContact CE2-CZ 4.36Å; F63-F97 HydrophobicContact CG-CD2 4.08Å; F63-F97 HydrophobicContact CG-CE2 4.31Å; F63-F97 HydrophobicContact CZ-CB 3.62Å; F63-F97 AromaticContact CZ-CD2 3.71Å; F63-F97 HydrophobicContact CZ-CD2 3.71Å; F63-F97 AromaticContact CZ-CG 3.85Å; F63-F97 HydrophobicContact CZ-CG 3.85Å; F63-S99 WeakPolarHBondContact CZ-O 3.47Å; F63-P101 HydrophobicContact CE2-CG 4.33Å; F63-P101 HydrophobicContact CZ-CG 4.19Å; F63-T270 HydrophobicContact CE2-CG2 4.35Å; F63-D290 HydrophobicContact CD2-CB 4.04Å; F63-D290 HydrophobicContact CE2-CB 4.17Å
64A96.2Very high95.6Very high1 Ų142.8 Ų42.81%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-132.4149.2169.600000110.4I83 A94 V95 L96 F97A64-I83 HydrophobicContact CB-CD1 3.85Å; A64-A94 HydrophobicContact CB-CB 4.42Å; A64-V95 PolarHBondContact N-O 3.11Å; A64-L96 HydrophobicContact CB-CD1 3.97Å; A64-L96 CarbonylContact O-C 3.51Å; A64-L96 WeakPolarHBondContact O-CA 3.38Å; A64-F97 PolarHBondContact O-N 3.11Å
65C95.6Very high95.5Very high11 Ų1137 Ų377%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-108.2137-178.8178.10000111.9F63 G67 Y68 F97 D100F63-C65 HydrophobicContact CE1-CB 4.18Å; C65-G67 VanDerWaalsContact C-N 3.25Å; C65-G67 PolarHBondContact O-N 3.44Å; C65-G67 PolarHBondContact SG-N 3.48Å; C65-G67 VanDerWaalsContact SG-N 3.37Å; C65-Y68 WeakPolarHBondContact O-CB 3.25Å; C65-Y68 PolarHBondContact O-N 3.25Å; C65-F97 CarbonylContact C-O 3.59Å; C65-D100 HydrophobicContact CB-CB 4.26Å; C65-D100 PolarHBondContact SG-N 2.67Å; C65-D100 VanDerWaalsContact SG-N 3.37Å
66M95.8Very high95.4Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-59.5-35.7176.1-175.859.277.300112.1Y68 V69 A70 L96 F97 V117 L126 Y131 C134 S135M66-Y68 VanDerWaalsContact C-N 3.26Å; M66-Y68 PolarHBondContact O-N 3.41Å; M66-V69 PolarHBondContact O-N 2.95Å; M66-V69 VanDerWaalsContact O-N 3.1Å; M66-V69 HydrophobicContact SD-CB 4.27Å; M66-V69 HydrophobicContact SD-CG1 4.47Å; M66-A70 WeakPolarHBondContact O-CB 3.45Å; M66-A70 PolarHBondContact O-N 3.19Å; M66-L96 HydrophobicContact CE-CD2 3.51Å; M66-L96 HydrophobicContact CE-CG 4.16Å; M66-L96 HydrophobicContact SD-CD2 4.18Å; M66-F97 WeakPolarHBondContact CB-O 3.41Å; M66-F97 PolarHBondContact N-O 3.38Å; M66-V117 HydrophobicContact CB-CG1 4.06Å; M66-V117 HydrophobicContact CG-CG1 3.8Å; M66-L126 HydrophobicContact CG-CD1 3.92Å; M66-L126 HydrophobicContact SD-CD1 4.48Å; M66-Y131 HydrophobicContact CB-CE2 4.36Å; M66-Y131 HydrophobicContact CE-CD1 3.74Å; M66-Y131 HydrophobicContact CE-CD2 4Å; M66-Y131 HydrophobicContact CE-CE1 3.42Å; M66-Y131 VanDerWaalsContact CE-CE1 3.42Å; M66-Y131 HydrophobicContact CE-CE2 3.72Å; M66-Y131 HydrophobicContact CE-CG 4.01Å; M66-Y131 HydrophobicContact CG-CD2 4.09Å; M66-Y131 HydrophobicContact CG-CE2 3.8Å; M66-C134 HydrophobicContact CE-CB 4.35Å; M66-C134 HydrophobicContact SD-CB 3.42Å; M66-C134 WeakPolarHBondContact SD-CB 3.38Å; M66-S135 VanDerWaalsContact CE-OG 3.22Å; M66-S135 WeakPolarHBondContact CE-OG 3.36Å
67G93.5Very high95.3Very high0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-54.6-41.9176.500000112.8C65 A70 E71 T119C65-G67 VanDerWaalsContact C-N 3.25Å; C65-G67 PolarHBondContact O-N 3.44Å; C65-G67 PolarHBondContact SG-N 3.48Å; C65-G67 VanDerWaalsContact SG-N 3.37Å; G67-A70 PolarHBondContact O-N 2.84Å; G67-E71 WeakPolarHBondContact O-CB 3.32Å; G67-E71 PolarHBondContact O-N 3.28Å; G67-T119 VanDerWaalsContact O-CG2 3.31Å; G67-T119 WeakPolarHBondContact O-CG2 3.33Å
68Y93.3Very high95.4Very high19 Ų1938.7 Ų38.78%0.07519%0.186CC..Hα-helixtrans-64-43.2176.8175.7-108.8000112.6Y41 C65 M66 R72 I83 F86Y41-Y68 VanDerWaalsContact C-CD2 3.44Å; Y41-Y68 VanDerWaalsContact CB-CD2 3.49Å; Y41-Y68 AromaticContact CD1-CD2 3.95Å; Y41-Y68 HydrophobicContact CD1-CD2 3.95Å; Y41-Y68 HydrophobicContact CG-CD2 4.21Å; Y41-Y68 WeakPolarHBondContact O-CE2 3.4Å; Y41-Y68 PolarHBondContact O-OH 2.83Å; C65-Y68 WeakPolarHBondContact O-CB 3.25Å; C65-Y68 PolarHBondContact O-N 3.25Å; M66-Y68 VanDerWaalsContact C-N 3.26Å; M66-Y68 PolarHBondContact O-N 3.41Å; Y68-R72 VanDerWaalsContact CE2-NE 3.27Å; Y68-R72 PolarHBondContact O-N 3.16Å; Y68-I83 HydrophobicContact CD1-CD1 3.75Å; Y68-I83 HydrophobicContact CD1-CG1 4.4Å; Y68-I83 HydrophobicContact CE1-CD1 4.02Å; Y68-I83 HydrophobicContact CE1-CG1 4.17Å; Y68-F86 HydrophobicContact CE1-CD1 4.44Å; Y68-F86 WeakPolarHBondContact OH-CE1 3.47Å
69V95.4Very high95.4Very high0 Ų041.6 Ų41.60%020%0.198CC..Hα-helixtrans-65.7-46.2178.8177.40000110.6M66 R72 R73 L76 I83 L96 C134 A138M66-V69 PolarHBondContact O-N 2.95Å; M66-V69 VanDerWaalsContact O-N 3.1Å; M66-V69 HydrophobicContact SD-CB 4.27Å; M66-V69 HydrophobicContact SD-CG1 4.47Å; V69-R72 CarbonylContact O-C 3.56Å; V69-R72 PolarHBondContact O-N 3.4Å; V69-R73 WeakPolarHBondContact O-CA 3.41Å; V69-R73 PolarHBondContact O-N 3.43Å; V69-L76 HydrophobicContact CB-CD1 4.31Å; V69-L76 HydrophobicContact CG1-CD1 4Å; V69-L76 HydrophobicContact CG2-CD1 4.46Å; V69-I83 HydrophobicContact CG2-CD1 3.8Å; V69-L96 HydrophobicContact CG2-CD1 3.84Å; V69-L96 HydrophobicContact CG2-CD2 4.48Å; V69-C134 HydrophobicContact CG1-CB 3.73Å; V69-C134 VanDerWaalsContact CG1-O 3.32Å; V69-C134 WeakPolarHBondContact CG1-O 3.49Å; V69-A138 HydrophobicContact CB-CB 4.44Å; V69-A138 HydrophobicContact CG1-CB 3.8Å; V69-A138 HydrophobicContact CG2-CB 3.71Å
70A95.6Very high95.2Very high14 Ų1444.3 Ų44.312%0.11623%0.227CC..Hα-helixtrans-62.1-48.1-177.500000111.4M66 G67 R72 R73 V117 L124 L126M66-A70 WeakPolarHBondContact O-CB 3.45Å; M66-A70 PolarHBondContact O-N 3.19Å; G67-A70 PolarHBondContact O-N 2.84Å; A70-R72 PolarHBondContact O-N 2.88Å; A70-R73 PolarHBondContact O-N 2.83Å; A70-V117 HydrophobicContact CB-CG2 3.94Å; A70-L124 HydrophobicContact CB-CD1 3.96Å; A70-L126 HydrophobicContact CB-CD1 3.95Å; A70-L126 HydrophobicContact CB-CD2 4.18Å
71E93.8Very high95Very high60 Ų6044.1 Ų44.128%0.2824%0.235SC..Hα-helixtrans-61.3-30.6178-168.2173.9-14100112.4G67 T119 T120 G121G67-E71 WeakPolarHBondContact O-CB 3.32Å; G67-E71 PolarHBondContact O-N 3.28Å; E71-T119 HydrophobicContact CB-CG2 4.04Å; E71-T119 PolarHBondContact OE1-OG1 3.42Å; E71-T120 PolarHBondContact OE1-N 3.33Å; E71-T120 PolarHBondContact OE1-OG1 3.21Å; E71-T120 PolarHBondContact OE2-OG1 2.66Å; E71-G121 PolarHBondContact OE1-N 3.11Å
72R93.3Very high94.8Very high70 Ų7044.2 Ų44.226%0.26424%0.237SC..THydrogen-bonded Turntrans-110.218.6-176.9-68.8165.1-171.969.95.1113.4Y68 V69 A70 F74 A75 L76Y68-R72 VanDerWaalsContact CE2-NE 3.27Å; Y68-R72 PolarHBondContact O-N 3.16Å; V69-R72 CarbonylContact O-C 3.56Å; V69-R72 PolarHBondContact O-N 3.4Å; A70-R72 PolarHBondContact O-N 2.88Å; R72-F74 VanDerWaalsContact C-N 3.25Å; R72-F74 PolarHBondContact O-N 3.03Å; R72-F74 VanDerWaalsContact O-N 3.14Å; R72-A75 PolarHBondContact O-N 3.32Å; R72-L76 HydrophobicContact CB-CD1 4.31Å; R72-L76 HydrophobicContact CB-CG 4.49Å; R72-L76 PolarHBondContact O-N 3.27Å
73R92.9Very high94.6Very high92 Ų9244.3 Ų44.335%0.34724%0.237SC..Hα-helixtrans-54.1-42.1-172.6-168.2-176.192.2170.30.2112.4V69 A70 T77V69-R73 WeakPolarHBondContact O-CA 3.41Å; V69-R73 PolarHBondContact O-N 3.43Å; A70-R73 PolarHBondContact O-N 2.83Å; R73-T77 VanDerWaalsContact O-CB 3.29Å; R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 PolarHBondContact O-N 3.37Å; R73-T77 PolarHBondContact O-OG1 3.36Å
74F94.3Very high94.4Very high169 Ų16945.8 Ų45.874%0.74125%0.246SC*.Hα-helixtrans-63.9-47.7179.3-177.9-96.6000111.9R72 T77 K78R72-F74 VanDerWaalsContact C-N 3.25Å; R72-F74 PolarHBondContact O-N 3.03Å; R72-F74 VanDerWaalsContact O-N 3.14Å; F74-T77 PolarHBondContact O-N 3.06Å; F74-K78 PolarHBondContact O-N 3.16Å
75A95.9Very high94.3Very high44 Ų4452.9 Ų52.936%0.36428%0.277SS..Hα-helixtrans-64.2-45.2179.100000111.9R72 K78 F79 F86R72-A75 PolarHBondContact O-N 3.32Å; A75-K78 PolarHBondContact O-N 2.81Å; A75-F79 WeakPolarHBondContact O-CB 3.42Å; A75-F79 PolarHBondContact O-N 2.99Å; A75-F86 HydrophobicContact CB-CZ 4.39Å
76L94.9Very high94.3Very high1 Ų155.5 Ų55.51%0.00529%0.287CS..Hα-helixtrans-64.3-40.1177.1-76.9165.1000112.2V69 R72 F79 G80 F86 V137V69-L76 HydrophobicContact CB-CD1 4.31Å; V69-L76 HydrophobicContact CG1-CD1 4Å; V69-L76 HydrophobicContact CG2-CD1 4.46Å; R72-L76 HydrophobicContact CB-CD1 4.31Å; R72-L76 HydrophobicContact CB-CG 4.49Å; R72-L76 PolarHBondContact O-N 3.27Å; L76-F79 PolarHBondContact O-N 3.37Å; L76-G80 PolarHBondContact O-N 3.26Å; L76-F86 HydrophobicContact CD2-CB 3.55Å; L76-F86 HydrophobicContact CD2-CD1 3.57Å; L76-F86 HydrophobicContact CD2-CD2 3.79Å; L76-F86 HydrophobicContact CD2-CE1 4.17Å; L76-F86 HydrophobicContact CD2-CE2 4.36Å; L76-F86 HydrophobicContact CD2-CG 3.35Å; L76-F86 HydrophobicContact CG-CD1 4.33Å; L76-F86 HydrophobicContact CG-CE1 4.46Å; L76-F86 HydrophobicContact CG-CG 4.37Å; L76-V137 HydrophobicContact CB-CG1 3.34Å
77T94.9Very high94.2Very high79 Ų7956.4 Ų56.449%0.48529%0.294SS..Hα-helixtrans-61-47175.5-58.80000110.8R73 F74 F79 G80 V137R73-T77 VanDerWaalsContact O-CB 3.29Å; R73-T77 WeakPolarHBondContact O-CB 3.44Å; R73-T77 PolarHBondContact O-N 3.37Å; R73-T77 PolarHBondContact O-OG1 3.36Å; F74-T77 PolarHBondContact O-N 3.06Å; T77-F79 VanDerWaalsContact C-N 3.29Å; T77-F79 PolarHBondContact O-N 3.25Å; T77-G80 PolarHBondContact O-N 3.36Å; T77-V137 WeakPolarHBondContact OG1-CG2 3.31Å
78K96.5Very high94.2Very high178 Ų17858.2 Ų58.277%0.77431%0.313SS*.Hα-helixtrans-64.6-35.2178.3-173.8175.6179.5179.50112.1F74 A75F74-K78 PolarHBondContact O-N 3.16Å; A75-K78 PolarHBondContact O-N 2.81Å
79F96.5Very high94.2Very high88 Ų8857.4 Ų57.439%0.38631%0.31SS..Hα-helixtrans-70.7-39.1178.3178.1-108000113.1A75 L76 T77 G81 K85 F86A75-F79 WeakPolarHBondContact O-CB 3.42Å; A75-F79 PolarHBondContact O-N 2.99Å; L76-F79 PolarHBondContact O-N 3.37Å; T77-F79 VanDerWaalsContact C-N 3.29Å; T77-F79 PolarHBondContact O-N 3.25Å; F79-G81 VanDerWaalsContact CD1-N 3.31Å; F79-G81 PolarHBondContact O-N 2.96Å; F79-K85 HydrophobicContact CE1-CB 3.98Å; F79-K85 HydrophobicContact CE1-CD 4.18Å; F79-K85 HydrophobicContact CE1-CG 4.09Å; F79-K85 HydrophobicContact CZ-CB 4.21Å; F79-K85 HydrophobicContact CZ-CD 3.91Å; F79-K85 HydrophobicContact CZ-CG 3.82Å; F79-F86 HydrophobicContact CB-CD2 4Å; F79-F86 HydrophobicContact CB-CE2 4.4Å; F79-F86 HydrophobicContact CD1-CB 3.86Å; F79-F86 AromaticContact CD1-CD2 3.76Å; F79-F86 HydrophobicContact CD1-CD2 3.76Å; F79-F86 HydrophobicContact CD1-CG 4.32Å; F79-F86 HydrophobicContact CD2-CD2 4.31Å; F79-F86 HydrophobicContact CE1-CB 3.78Å; F79-F86 HydrophobicContact CE1-CD2 4.27Å; F79-F86 AromaticContact CG-CD2 3.77Å; F79-F86 HydrophobicContact CG-CD2 3.77Å
80G92.9Very high94Very high65 Ų6559.9 Ų59.967%0.6734%0.336SS*.  trans70.5-7.7173.600000116.5L76 T77L76-G80 PolarHBondContact O-N 3.26Å; T77-G80 PolarHBondContact O-N 3.36Å
81G91.6Very high93.7Very high34 Ų3464.4 Ų64.435%0.35135%0.353SS..SBendtrans-90.41.7-176.400000116.5F79 K85F79-G81 VanDerWaalsContact CD1-N 3.31Å; F79-G81 PolarHBondContact O-N 2.96Å; G81-K85 WeakPolarHBondContact O-CB 3.46Å
82G92.4Very high93.7Very high3 Ų361.9 Ų61.93%0.03134%0.341CS..Hα-helixtrans74.2171.6-175.500000114.4F86 A138G82-F86 WeakPolarHBondContact O-CB 3.36Å; G82-F86 PolarHBondContact O-N 3.19Å; G82-A138 CarbonylContact C-O 3.57Å; G82-A138 WeakPolarHBondContact CA-O 3.49Å
83I93.7Very high93.6Very high2 Ų258.5 Ų58.51%0.0133%0.328CS..Hα-helixtrans-67.6-38.2-171.3-168.5167.5000112.9A64 Y68 V69 K85 F86 A87 A94 A138A64-I83 HydrophobicContact CB-CD1 3.85Å; Y68-I83 HydrophobicContact CD1-CD1 3.75Å; Y68-I83 HydrophobicContact CD1-CG1 4.4Å; Y68-I83 HydrophobicContact CE1-CD1 4.02Å; Y68-I83 HydrophobicContact CE1-CG1 4.17Å; V69-I83 HydrophobicContact CG2-CD1 3.8Å; I83-K85 PolarHBondContact O-N 2.96Å; I83-F86 PolarHBondContact O-N 3.3Å; I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 3.3Å; I83-A94 HydrophobicContact CG2-CB 3.61Å; I83-A138 HydrophobicContact CB-CB 4.36Å; I83-A138 HydrophobicContact CG2-CB 4.44Å; I83-A138 VanDerWaalsContact CG2-O 3.31Å; I83-A138 WeakPolarHBondContact CG2-O 3.4Å; I83-A138 PolarHBondContact N-O 3.47Å
84V94Very high93.7Very high31 Ų3154.1 Ų54.119%0.18831%0.312CS..Hα-helixtrans-59.6-48.7-180172.90000110.4G88 L89 R92 A94V84-G88 PolarHBondContact O-N 3.32Å; V84-G88 VanDerWaalsContact O-N 3.1Å; V84-L89 HydrophobicContact CG1-CB 4.11Å; V84-L89 PolarHBondContact O-N 3.2Å; V84-R92 VanDerWaalsContact CG1-O 3.27Å; V84-R92 WeakPolarHBondContact CG1-O 3.39Å; V84-A94 HydrophobicContact CG2-CB 3.62Å
85K94.3Very high93.8Very high150 Ų15046.1 Ų46.165%0.65228%0.277SS*.Hα-helixtrans-72.9-38.3179-167.1-174.2173.7174.70111.5F79 G81 I83 A87 G88F79-K85 HydrophobicContact CE1-CB 3.98Å; F79-K85 HydrophobicContact CE1-CD 4.18Å; F79-K85 HydrophobicContact CE1-CG 4.09Å; F79-K85 HydrophobicContact CZ-CB 4.21Å; F79-K85 HydrophobicContact CZ-CD 3.91Å; F79-K85 HydrophobicContact CZ-CG 3.82Å; G81-K85 WeakPolarHBondContact O-CB 3.46Å; I83-K85 PolarHBondContact O-N 2.96Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.29Å; K85-G88 PolarHBondContact O-N 2.89Å
86F95.1Very high93.8Very high67 Ų6744 Ų4429%0.29426%0.259SS..Hα-helixtrans-62.9-38.9178.2-175-98.1000112.1Y68 A75 L76 F79 G82 I83Y68-F86 HydrophobicContact CE1-CD1 4.44Å; Y68-F86 WeakPolarHBondContact OH-CE1 3.47Å; A75-F86 HydrophobicContact CB-CZ 4.39Å; L76-F86 HydrophobicContact CD2-CB 3.55Å; L76-F86 HydrophobicContact CD2-CD1 3.57Å; L76-F86 HydrophobicContact CD2-CD2 3.79Å; L76-F86 HydrophobicContact CD2-CE1 4.17Å; L76-F86 HydrophobicContact CD2-CE2 4.36Å; L76-F86 HydrophobicContact CD2-CG 3.35Å; L76-F86 HydrophobicContact CG-CD1 4.33Å; L76-F86 HydrophobicContact CG-CE1 4.46Å; L76-F86 HydrophobicContact CG-CG 4.37Å; F79-F86 HydrophobicContact CB-CD2 4Å; F79-F86 HydrophobicContact CB-CE2 4.4Å; F79-F86 HydrophobicContact CD1-CB 3.86Å; F79-F86 AromaticContact CD1-CD2 3.76Å; F79-F86 HydrophobicContact CD1-CD2 3.76Å; F79-F86 HydrophobicContact CD1-CG 4.32Å; F79-F86 HydrophobicContact CD2-CD2 4.31Å; F79-F86 HydrophobicContact CE1-CB 3.78Å; F79-F86 HydrophobicContact CE1-CD2 4.27Å; F79-F86 AromaticContact CG-CD2 3.77Å; F79-F86 HydrophobicContact CG-CD2 3.77Å; G82-F86 WeakPolarHBondContact O-CB 3.36Å; G82-F86 PolarHBondContact O-N 3.19Å; I83-F86 PolarHBondContact O-N 3.3Å
87A93.6Very high93.9Very high18 Ų1844 Ų4415%0.14926%0.259CS..THydrogen-bonded Turntrans-94.71.4-177.900000114G42 I83 K85 L89G42-A87 VanDerWaalsContact O-CB 3.26Å; G42-A87 WeakPolarHBondContact O-CB 3.44Å; I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 3.3Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.29Å; A87-L89 HydrophobicContact CB-CD1 4.28Å; A87-L89 HydrophobicContact CB-CG 4.15Å; A87-L89 PolarHBondContact O-N 2.9Å
88G93.3Very high93.9Very high39 Ų3940.3 Ų40.340%0.40224%0.236SC..THydrogen-bonded Turntrans66.435176.700000114.4Y52 V84 K85 G90Y52-G88 PolarHBondContact OH-O 2.9Å; V84-G88 PolarHBondContact O-N 3.32Å; V84-G88 VanDerWaalsContact O-N 3.1Å; K85-G88 PolarHBondContact O-N 2.89Å; G88-G90 PolarHBondContact O-N 3.15Å; G88-G90 VanDerWaalsContact O-N 3.16Å
89L93.4Very high93.7Very high1 Ų133 Ų331%0.00521%0.207CC..  trans-80.412.9-176.2-66.9172.4000114.3T39 G42 V84 A87 K91 R92T39-L89 HydrophobicContact CG2-CD1 4.41Å; T39-L89 HydrophobicContact CG2-CD2 3.9Å; G42-L89 WeakPolarHBondContact O-CD2 3.35Å; V84-L89 HydrophobicContact CG1-CB 4.11Å; V84-L89 PolarHBondContact O-N 3.2Å; A87-L89 HydrophobicContact CB-CD1 4.28Å; A87-L89 HydrophobicContact CB-CG 4.15Å; A87-L89 PolarHBondContact O-N 2.9Å; L89-K91 PolarHBondContact O-N 3.39Å; L89-R92 HydrophobicContact CB-CB 4.45Å; L89-R92 WeakPolarHBondContact O-CB 3.38Å; L89-R92 WeakPolarHBondContact O-CG 3.43Å; L89-R92 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-NH1 2.95Å
90G90.2Very high93.5Very high53 Ų5329.2 Ų29.255%0.54619%0.191SC..THydrogen-bonded Turntrans62.9-130.4176.900000112.8G88 R92G88-G90 PolarHBondContact O-N 3.15Å; G88-G90 VanDerWaalsContact O-N 3.16Å; G90-R92 PolarHBondContact O-N 2.84Å
91K90.6Very high93.4Very high108 Ų10826.2 Ų26.247%0.4716%0.16SC..THydrogen-bonded Turntrans-79.51.1-178.762.6171.5175.6157.10114.5L26 I28 E60 L89L26-K91 HydrophobicContact CD1-CB 4.41Å; I28-K91 WeakPolarHBondContact CG2-O 3.37Å; E60-K91 WeakPolarHBondContact OE1-CE 3.38Å; E60-K91 IonicContact OE1-NZ 2.68Å; E60-K91 PolarHBondContact OE1-NZ 3Å; L89-K91 PolarHBondContact O-N 3.39Å
92R93Very high93.2Very high7 Ų725.8 Ų25.83%0.02615%0.151CC..PPolyproline II helixtrans-75.6160.8-168.7-68-177.3-175.367.712.5114L37 E53 P59 E60 V84 L89 G90L37-R92 VanDerWaalsContact CD2-NE 3.27Å; E53-R92 IonicContact OE1-CZ 3.56Å; E53-R92 VanDerWaalsContact OE1-CZ 3.3Å; E53-R92 IonicContact OE1-NH1 2.7Å; E53-R92 PolarHBondContact OE1-NH1 2.9Å; E53-R92 IonicContact OE1-NH2 2.7Å; E53-R92 PolarHBondContact OE1-NH2 3.27Å; E53-R92 IonicContact OE2-CZ 3.81Å; E53-R92 IonicContact OE2-NH1 3.55Å; E53-R92 IonicContact OE2-NH2 3.47Å; E53-R92 PolarHBondContact OE2-NH2 2.95Å; P59-R92 PolarHBondContact O-NE 3.03Å; P59-R92 VanDerWaalsContact O-NE 3.11Å; E60-R92 VanDerWaalsContact O-CA 3.23Å; E60-R92 WeakPolarHBondContact O-CA 3.28Å; E60-R92 VanDerWaalsContact O-CB 3.27Å; E60-R92 WeakPolarHBondContact O-CB 3.47Å; E60-R92 WeakPolarHBondContact O-CG 3.45Å; V84-R92 VanDerWaalsContact CG1-O 3.27Å; V84-R92 WeakPolarHBondContact CG1-O 3.39Å; L89-R92 HydrophobicContact CB-CB 4.45Å; L89-R92 WeakPolarHBondContact O-CB 3.38Å; L89-R92 WeakPolarHBondContact O-CG 3.43Å; L89-R92 PolarHBondContact O-N 3.49Å; L89-R92 PolarHBondContact O-NH1 2.95Å; G90-R92 PolarHBondContact O-N 2.84Å
93G92.8Very high92.7Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-99.3124.3170.500000114.1E60 F61 S62E60-G93 PolarHBondContact O-N 3.18Å; F61-G93 CarbonylContact C-O 3.51Å; F61-G93 VanDerWaalsContact CA-O 3.3Å; F61-G93 WeakPolarHBondContact CA-O 3.38Å; S62-G93 PolarHBondContact N-O 2.86Å; S62-G93 PolarHBondContact OG-O 2.91Å
94A94.5Very high91.6Very high0 Ų031.6 Ų31.60%018%0.179CC..EExtended strand (participates in β ladder)trans-83.2130174.100000112.2S62 A64 I83 V84 P140 I141S62-A94 WeakPolarHBondContact O-CA 3.41Å; A64-A94 HydrophobicContact CB-CB 4.42Å; I83-A94 HydrophobicContact CG2-CB 3.61Å; V84-A94 HydrophobicContact CG2-CB 3.62Å; A94-P140 HydrophobicContact CB-CB 4.46Å; A94-P140 VanDerWaalsContact O-CB 3.31Å; A94-P140 WeakPolarHBondContact O-CB 3.43Å; A94-I141 PolarHBondContact O-N 3.45Å
95V96.1Very high90.8Very high0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-105.5116167.4-176.40000107.8L36 F61 S62 A64 F97 V142 L193 F268L36-V95 HydrophobicContact CD1-CB 4.1Å; L36-V95 HydrophobicContact CD1-CG1 4.39Å; L36-V95 HydrophobicContact CD1-CG2 4.4Å; L36-V95 HydrophobicContact CD2-CG2 4.11Å; F61-V95 HydrophobicContact CD1-CG2 4.24Å; S62-V95 PolarHBondContact O-N 3.38Å; A64-V95 PolarHBondContact N-O 3.11Å; V95-F97 HydrophobicContact CB-CE2 3.82Å; V95-F97 HydrophobicContact CB-CZ 4.42Å; V95-F97 HydrophobicContact CG1-CD2 4.11Å; V95-F97 HydrophobicContact CG1-CE1 4.46Å; V95-F97 HydrophobicContact CG1-CE2 3.28Å; V95-F97 HydrophobicContact CG1-CZ 3.5Å; V95-F97 VanDerWaalsContact CG1-CZ 3.5Å; V95-F97 WeakPolarHBondContact O-CD2 3.45Å; V95-V142 WeakPolarHBondContact CA-O 3.38Å; V95-V142 HydrophobicContact CB-CG1 4.27Å; V95-V142 HydrophobicContact CG1-CG1 3.73Å; V95-V142 HydrophobicContact CG2-CG1 4Å; V95-L193 HydrophobicContact CG1-CD1 3.98Å; V95-F268 HydrophobicContact CG1-CE1 4.2Å
96L96.4Very high89.8Confident0 Ų030.6 Ų30.60%018%0.181CC..EExtended strand (participates in β ladder)trans-95.6123.2-173.1-175.366.3000111.5A64 M66 V69 A138 P140 V142 Y143 Q144A64-L96 HydrophobicContact CB-CD1 3.97Å; A64-L96 CarbonylContact O-C 3.51Å; A64-L96 WeakPolarHBondContact O-CA 3.38Å; M66-L96 HydrophobicContact CE-CD2 3.51Å; M66-L96 HydrophobicContact CE-CG 4.16Å; M66-L96 HydrophobicContact SD-CD2 4.18Å; V69-L96 HydrophobicContact CG2-CD1 3.84Å; V69-L96 HydrophobicContact CG2-CD2 4.48Å; L96-A138 HydrophobicContact CD2-CB 4.05Å; L96-P140 HydrophobicContact CB-CB 3.89Å; L96-P140 HydrophobicContact CB-CG 3.93Å; L96-P140 HydrophobicContact CD2-CG 4.18Å; L96-V142 PolarHBondContact N-O 3.47Å; L96-Y143 CarbonylContact O-C 3.36Å; L96-Y143 VanDerWaalsContact O-CA 3.27Å; L96-Y143 WeakPolarHBondContact O-CA 3.33Å; L96-Q144 PolarHBondContact O-N 3.22Å
97F96.6Very high89Confident2 Ų230.5 Ų30.51%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-111.8158.1177.9-64.7-93.6000111.4L36 F63 A64 C65 M66 V95 Q144 L193 V221 F268 T270L36-F97 HydrophobicContact CD1-CE2 3.47Å; L36-F97 VanDerWaalsContact CD1-CE2 3.47Å; L36-F97 HydrophobicContact CD1-CZ 3.78Å; F63-F97 AromaticContact CD2-CD2 3.3Å; F63-F97 HydrophobicContact CD2-CD2 3.3Å; F63-F97 AromaticContact CD2-CE2 3.43Å; F63-F97 HydrophobicContact CD2-CE2 3.43Å; F63-F97 VanDerWaalsContact CD2-CE2 3.43Å; F63-F97 HydrophobicContact CD2-CG 4.11Å; F63-F97 HydrophobicContact CD2-CZ 4.33Å; F63-F97 HydrophobicContact CE1-CD2 4.46Å; F63-F97 HydrophobicContact CE2-CB 3.75Å; F63-F97 HydrophobicContact CE2-CD1 4.2Å; F63-F97 AromaticContact CE2-CD2 3.09Å; F63-F97 HydrophobicContact CE2-CD2 3.09Å; F63-F97 AromaticContact CE2-CE2 3.62Å; F63-F97 HydrophobicContact CE2-CE2 3.62Å; F63-F97 AromaticContact CE2-CG 3.42Å; F63-F97 HydrophobicContact CE2-CG 3.42Å; F63-F97 VanDerWaalsContact CE2-CG 3.42Å; F63-F97 HydrophobicContact CE2-CZ 4.36Å; F63-F97 HydrophobicContact CG-CD2 4.08Å; F63-F97 HydrophobicContact CG-CE2 4.31Å; F63-F97 HydrophobicContact CZ-CB 3.62Å; F63-F97 AromaticContact CZ-CD2 3.71Å; F63-F97 HydrophobicContact CZ-CD2 3.71Å; F63-F97 AromaticContact CZ-CG 3.85Å; F63-F97 HydrophobicContact CZ-CG 3.85Å; A64-F97 PolarHBondContact O-N 3.11Å; C65-F97 CarbonylContact C-O 3.59Å; M66-F97 WeakPolarHBondContact CB-O 3.41Å; M66-F97 PolarHBondContact N-O 3.38Å; V95-F97 HydrophobicContact CB-CE2 3.82Å; V95-F97 HydrophobicContact CB-CZ 4.42Å; V95-F97 HydrophobicContact CG1-CD2 4.11Å; V95-F97 HydrophobicContact CG1-CE1 4.46Å; V95-F97 HydrophobicContact CG1-CE2 3.28Å; V95-F97 HydrophobicContact CG1-CZ 3.5Å; V95-F97 VanDerWaalsContact CG1-CZ 3.5Å; V95-F97 WeakPolarHBondContact O-CD2 3.45Å; F97-Q144 HydrophobicContact CD1-CB 4.38Å; F97-L193 HydrophobicContact CE1-CD1 4.49Å; F97-V221 HydrophobicContact CD1-CG1 4.43Å; F97-V221 HydrophobicContact CD1-CG2 4.49Å; F97-V221 HydrophobicContact CE1-CG1 4.27Å; F97-V221 HydrophobicContact CE1-CG2 3.95Å; F97-F268 HydrophobicContact CE1-CD1 4.47Å; F97-F268 AromaticContact CZ-CD1 3.92Å; F97-F268 HydrophobicContact CZ-CD1 3.92Å; F97-F268 HydrophobicContact CZ-CE1 4.44Å; F97-T270 HydrophobicContact CD1-CG2 3.69Å; F97-T270 HydrophobicContact CE1-CG2 3.68Å; F97-T270 HydrophobicContact CG-CG2 4.43Å; F97-T270 HydrophobicContact CZ-CG2 4.41Å
98Q95.2Very high88.3Confident0 Ų031.4 Ų31.40%019%0.194CC..SBendtrans-64.6-44.6179.8179.5170.6-63.300112.3V117 Y131 T147Q98-V117 HydrophobicContact CG-CG1 4.33Å; Q98-Y131 HydrophobicContact CB-CE2 4.4Å; Q98-Y131 HydrophobicContact CG-CE2 4.25Å; Q98-T147 PolarHBondContact NE2-O 3.19Å; Q98-T147 PolarHBondContact OE1-O 3.02Å
99S91.4Very high87.7Confident24 Ų2430.3 Ų30.317%0.16818%0.18CC..SBendtrans-125.2148.6-172.3-60.20000111.3F63F63-S99 WeakPolarHBondContact CZ-O 3.47Å
100D92.1Very high87.3Confident9 Ų931.1 Ų31.15%0.04819%0.185CC..  trans-76.1125.6169.6-176-42.7000108.6Y38 C65 T102 H103Y38-D100 PolarHBondContact OH-OD1 3.04Å; Y38-D100 PolarHBondContact OH-OD2 2.9Å; C65-D100 HydrophobicContact CB-CB 4.26Å; C65-D100 PolarHBondContact SG-N 2.67Å; C65-D100 VanDerWaalsContact SG-N 3.37Å; D100-T102 PolarHBondContact O-N 3.03Å; D100-T102 VanDerWaalsContact O-N 3.08Å; D100-T102 WeakPolarHBondContact OD1-CB 3.45Å; D100-T102 PolarHBondContact OD1-N 2.78Å; D100-T102 PolarHBondContact OD1-OG1 3.11Å; D100-H103 HydrophobicContact CB-CB 4.16Å; D100-H103 PolarHBondContact O-N 2.77Å; D100-H103 VanDerWaalsContact O-N 3.09Å
101P90.6Very high87.2Confident3 Ų331.4 Ų31.42%0.01918%0.175CC..THydrogen-bonded Turntrans-63-18.7-176.527.6-38.4000113Y38 F63 Q271 D290 R296Y38-P101 HydrophobicContact CD2-CG 4.25Å; Y38-P101 HydrophobicContact CE2-CG 3.84Å; F63-P101 HydrophobicContact CE2-CG 4.33Å; F63-P101 HydrophobicContact CZ-CG 4.19Å; P101-Q271 HydrophobicContact CB-CG 4.02Å; P101-D290 HydrophobicContact CB-CB 4.35Å; P101-D290 HydrophobicContact CG-CB 3.97Å; P101-R296 VanDerWaalsContact C-NH2 3.3Å; P101-R296 PolarHBondContact O-NH2 3.26Å
102T88Confident87.2Confident25 Ų2534.3 Ų34.315%0.15319%0.187CC..THydrogen-bonded Turntrans-93-9.3-178.974.60000112.8Y38 D100 Y295 R296Y38-T102 HydrophobicContact CE1-CG2 4.06Å; Y38-T102 HydrophobicContact CE2-CG2 4.04Å; Y38-T102 VanDerWaalsContact OH-CG2 3.29Å; Y38-T102 WeakPolarHBondContact OH-CG2 3.49Å; Y38-T102 PolarHBondContact OH-OG1 2.95Å; D100-T102 PolarHBondContact O-N 3.03Å; D100-T102 VanDerWaalsContact O-N 3.08Å; D100-T102 WeakPolarHBondContact OD1-CB 3.45Å; D100-T102 PolarHBondContact OD1-N 2.78Å; D100-T102 PolarHBondContact OD1-OG1 3.11Å; T102-Y295 HydrophobicContact CG2-CD1 3.66Å; T102-Y295 HydrophobicContact CG2-CE1 4Å; T102-R296 HydrophobicContact CG2-CG 4.5Å
103H81.6Confident87.1Confident54 Ų5437 Ų3725%0.2521%0.207CC..SBendtrans-109.5109.9177.7-79.4-161.2000109.8R40 Y41 D100R40-H103 PolarHBondContact NH1-NE2 2.99Å; R40-H103 PolarHBondContact NH2-NE2 3.1Å; Y41-H103 PolarHBondContact OH-CE1 2.82Å; D100-H103 HydrophobicContact CB-CB 4.16Å; D100-H103 PolarHBondContact O-N 2.77Å; D100-H103 VanDerWaalsContact O-N 3.09Å
104L71.9Confident87.1Confident73 Ų7337.5 Ų37.538%0.38221%0.21SC..  trans-74.7133.8171.8-60.4177.5000109.3L226 D228L104-L226 HydrophobicContact CD2-CD2 3.95Å; L104-D228 HydrophobicContact CD1-CB 4.13Å
105A76.3Confident87.1Confident20 Ų2037.5 Ų37.517%0.16521%0.21CC..  trans-59.2144.5166.200000109.1W118 L153A105-W118 HydrophobicContact CB-CZ2 3.92Å; A105-L153 HydrophobicContact CB-CD1 3.96Å; A105-L153 HydrophobicContact CB-CD2 3.63Å; A105-L153 HydrophobicContact CB-CG 4.47Å; A105-L153 WeakPolarHBondContact O-CD1 3.49Å
106I73.4Confident87Confident139 Ų13937.5 Ų37.571%0.71321%0.211SC*.SBendtrans-101.5-26.9-177.3-54.2174.6000110.8W118I106-W118 HydrophobicContact CB-CH2 3.92Å; I106-W118 HydrophobicContact CB-CZ3 4.27Å; I106-W118 HydrophobicContact CD1-CZ3 4.47Å; I106-W118 HydrophobicContact CG1-CH2 4.45Å; I106-W118 HydrophobicContact CG1-CZ3 4.37Å
107V78.1Confident86.8Confident65 Ų6537.5 Ų37.539%0.39421%0.211SC..SBendtrans-136.2141.2-180-520000110.1A109 W118 L153V107-A109 HydrophobicContact CG2-CB 4.39Å; V107-A109 PolarHBondContact O-N 3.42Å; V107-W118 HydrophobicContact CG2-CH2 3.8Å; V107-W118 HydrophobicContact CG2-CZ2 3.99Å; V107-L153 VanDerWaalsContact C-CD2 3.44Å; V107-L153 WeakPolarHBondContact O-CD2 3.32Å
108A78Confident86.5Confident38 Ų3839.5 Ų39.531%0.31422%0.218SC..  trans-73.3124.6171.400000110.1E150 L153 L154A108-E150 WeakPolarHBondContact CA-OE2 3.19Å; A108-L153 HydrophobicContact CB-CD2 4.11Å; A108-L154 HydrophobicContact CB-CD1 3.7Å; A108-L154 HydrophobicContact CB-CD2 4.07Å; A108-L154 HydrophobicContact CB-CG 3.8Å
109A81.1Confident86.2Confident15 Ų1540.1 Ų40.112%0.12422%0.222CC..  trans-1387.9-170.100000113.7V107 P116 Q125 E150V107-A109 HydrophobicContact CG2-CB 4.39Å; V107-A109 PolarHBondContact O-N 3.42Å; A109-P116 HydrophobicContact CB-CB 3.84Å; A109-P116 HydrophobicContact CB-CG 3.97Å; A109-Q125 PolarHBondContact O-NE2 3.44Å; A109-E150 PolarHBondContact N-OE2 2.96Å
110V85Confident85.9Confident18 Ų1843 Ų4311%0.10924%0.239CC..  trans-71.4133.2179.7176.30000112.2P116 D148 E150 Y173V110-P116 HydrophobicContact CG2-CG 3.95Å; V110-D148 HydrophobicContact CG1-CB 3.79Å; V110-E150 HydrophobicContact CG2-CG 4.07Å; V110-E150 VanDerWaalsContact CG2-OE2 3.28Å; V110-E150 WeakPolarHBondContact CG2-OE2 3.38Å; V110-E150 PolarHBondContact N-OE2 3.28Å; V110-Y173 HydrophobicContact CG1-CE2 4.47Å; V110-Y173 WeakPolarHBondContact CG1-OH 3.33Å
111D88.6Confident85.7Confident60 Ų6045.9 Ų45.932%0.32127%0.271SS..  trans-129.5-177.9174.376.945000113S113 S114 Y173D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 2.78Å; D111-S113 WeakPolarHBondContact OD1-CA 3.49Å; D111-S113 PolarHBondContact OD1-N 3.3Å; D111-S113 PolarHBondContact OD1-OG 3.22Å; D111-S114 PolarHBondContact N-O 2.82Å; D111-S114 PolarHBondContact OD1-N 3.47Å; D111-S114 PolarHBondContact OD1-OG 3.42Å; D111-S114 PolarHBondContact OD2-OG 3.09Å; D111-Y173 WeakPolarHBondContact O-CE1 3.48Å; D111-Y173 VanDerWaalsContact O-CZ 3.31Å; D111-Y173 PolarHBondContact O-OH 2.87Å
112K90.3Very high85.6Confident168 Ų16847.2 Ų47.273%0.7329%0.285SS*.SBendtrans-72.4-12-173.9-65.4-177.9-179.1178.10115.3K176K112-K176 PolarHBondContact O-NZ 2.84Å
113S90.2Very high85.8Confident64 Ų6452 Ų5245%0.44830%0.3SS..SBendtrans-132.6-9.2-168.440.80000114.3D111 I128D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 2.78Å; D111-S113 WeakPolarHBondContact OD1-CA 3.49Å; D111-S113 PolarHBondContact OD1-N 3.3Å; D111-S113 PolarHBondContact OD1-OG 3.22Å; S113-I128 PolarHBondContact O-N 3.49Å
114S94.2Very high86.4Confident10 Ų1052.6 Ų52.67%0.0730%0.304CS..EExtended strand (participates in β ladder)trans-147.3155.2-177.5770000111.5D111 Q125 L126D111-S114 PolarHBondContact N-O 2.82Å; D111-S114 PolarHBondContact OD1-N 3.47Å; D111-S114 PolarHBondContact OD1-OG 3.42Å; D111-S114 PolarHBondContact OD2-OG 3.09Å; S114-Q125 WeakPolarHBondContact OG-CG 3.45Å; S114-Q125 PolarHBondContact OG-NE2 3Å; S114-L126 CarbonylContact C-O 3.54Å; S114-L126 WeakPolarHBondContact CA-O 3.38Å; S114-L126 WeakPolarHBondContact CB-O 3.42Å
115V94.9Very high87.5Confident0 Ų051.8 Ų51.80%030%0.299CS..EExtended strand (participates in β ladder)trans-122.1142.8176.2-66.20000110.1L126 Y131 P146 Y173V115-L126 PolarHBondContact N-O 2.79Å; V115-L126 PolarHBondContact O-N 3.49Å; V115-Y131 HydrophobicContact CG2-CD2 3.63Å; V115-Y131 HydrophobicContact CG2-CE2 4.04Å; V115-P146 HydrophobicContact CG1-CB 3.81Å; V115-P146 HydrophobicContact CG2-CB 4.05Å; V115-Y173 HydrophobicContact CG1-CD2 4.06Å; V115-Y173 HydrophobicContact CG1-CE1 4.49Å; V115-Y173 HydrophobicContact CG1-CE2 3.69Å
116P93.4Very high88.4Confident1 Ų151.4 Ų51.41%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-76.6143.3172.831.9-33.5000110.5A109 V110 R123 L124 E150A109-P116 HydrophobicContact CB-CB 3.84Å; A109-P116 HydrophobicContact CB-CG 3.97Å; V110-P116 HydrophobicContact CG2-CG 3.95Å; P116-R123 HydrophobicContact CB-CG 4.12Å; P116-L124 WeakPolarHBondContact CA-O 3.48Å; P116-E150 VanDerWaalsContact CG-OE1 3.23Å; P116-E150 WeakPolarHBondContact CG-OE1 3.43Å
117V92.7Very high89.4Confident0 Ų047 Ų470%028%0.275CS..EExtended strand (participates in β ladder)trans-127.4144.2162.8-58.70000109M66 A70 Q98 T119 L124 L126M66-V117 HydrophobicContact CB-CG1 4.06Å; M66-V117 HydrophobicContact CG-CG1 3.8Å; A70-V117 HydrophobicContact CB-CG2 3.94Å; Q98-V117 HydrophobicContact CG-CG1 4.33Å; V117-T119 HydrophobicContact CG2-CG2 4.45Å; V117-L124 HydrophobicContact CG2-CB 3.88Å; V117-L124 PolarHBondContact N-O 3.15Å; V117-L124 PolarHBondContact O-N 2.77Å; V117-L126 HydrophobicContact CG1-CD1 3.89Å; V117-L126 HydrophobicContact CG1-CG 4.48Å; V117-L126 HydrophobicContact CG2-CD1 3.8Å; V117-L126 HydrophobicContact CG2-CG 3.99Å
118W89.4Confident90.2Very high43 Ų4344.2 Ų44.216%0.16326%0.258CS..EExtended strand (participates in β ladder)trans-103130.2-176-6589.5000110.1A105 I106 V107 R123A105-W118 HydrophobicContact CB-CZ2 3.92Å; I106-W118 HydrophobicContact CB-CH2 3.92Å; I106-W118 HydrophobicContact CB-CZ3 4.27Å; I106-W118 HydrophobicContact CD1-CZ3 4.47Å; I106-W118 HydrophobicContact CG1-CH2 4.45Å; I106-W118 HydrophobicContact CG1-CZ3 4.37Å; V107-W118 HydrophobicContact CG2-CH2 3.8Å; V107-W118 HydrophobicContact CG2-CZ2 3.99Å; W118-R123 HydrophobicContact CD2-CB 4.49Å; W118-R123 HydrophobicContact CE3-CB 4.1Å; W118-R123 HydrophobicContact CH2-CB 4.27Å; W118-R123 HydrophobicContact CZ2-CG 4.41Å; W118-R123 HydrophobicContact CZ3-CB 3.99Å
119T88.9Confident90.9Very high13 Ų1343 Ų438%0.0825%0.25CC..EExtended strand (participates in β ladder)trans-129.2172.4-173.376.10000110.6G67 E71 V117 G121 G122 L124G67-T119 VanDerWaalsContact O-CG2 3.31Å; G67-T119 WeakPolarHBondContact O-CG2 3.33Å; E71-T119 HydrophobicContact CB-CG2 4.04Å; E71-T119 PolarHBondContact OE1-OG1 3.42Å; V117-T119 HydrophobicContact CG2-CG2 4.45Å; T119-G121 PolarHBondContact O-N 3.24Å; T119-G121 PolarHBondContact OG1-N 3.11Å; T119-G122 WeakPolarHBondContact CB-O 3.31Å; T119-G122 PolarHBondContact N-O 2.74Å; T119-G122 PolarHBondContact O-N 3.48Å; T119-G122 VanDerWaalsContact O-N 3.1Å; T119-G122 PolarHBondContact OG1-N 2.94Å; T119-G122 PolarHBondContact OG1-O 2.94Å; T119-L124 HydrophobicContact CG2-CB 4.49Å; T119-L124 HydrophobicContact CG2-CD1 3.65Å; T119-L124 HydrophobicContact CG2-CG 3.81Å
120T86.1Confident91.5Very high85 Ų8545.8 Ų45.852%0.52126%0.26SS..THydrogen-bonded Turntrans-62-35.4174.245.10000112.3Y41 E71 G122Y41-T120 HydrophobicContact CD1-CG2 4.46Å; Y41-T120 HydrophobicContact CD2-CG2 4.42Å; Y41-T120 HydrophobicContact CE1-CG2 3.74Å; Y41-T120 HydrophobicContact CE2-CG2 3.68Å; Y41-T120 VanDerWaalsContact OH-CG2 3.27Å; Y41-T120 WeakPolarHBondContact OH-CG2 3.32Å; E71-T120 PolarHBondContact OE1-N 3.33Å; E71-T120 PolarHBondContact OE1-OG1 3.21Å; E71-T120 PolarHBondContact OE2-OG1 2.66Å; T120-G122 PolarHBondContact O-N 2.81Å
121G86.6Confident91.9Very high70 Ų7045 Ų4572%0.72226%0.255SS*.THydrogen-bonded Turntrans-79.64.7174.900000115.2E71 T119E71-G121 PolarHBondContact OE1-N 3.11Å; T119-G121 PolarHBondContact O-N 3.24Å; T119-G121 PolarHBondContact OG1-N 3.11Å
122G89Confident92.1Very high30 Ų3042.3 Ų42.331%0.30924%0.241SC..EExtended strand (participates in β ladder)trans106-159.2-17900000113.9T119 T120T119-G122 WeakPolarHBondContact CB-O 3.31Å; T119-G122 PolarHBondContact N-O 2.74Å; T119-G122 PolarHBondContact O-N 3.48Å; T119-G122 VanDerWaalsContact O-N 3.1Å; T119-G122 PolarHBondContact OG1-N 2.94Å; T119-G122 PolarHBondContact OG1-O 2.94Å; T120-G122 PolarHBondContact O-N 2.81Å
123R91.9Very high92.2Very high127 Ų12739.6 Ų39.648%0.47923%0.229SC..EExtended strand (participates in β ladder)trans-78.2126.5-175-173.1-168.170.1177.43.3111.2P116 W118P116-R123 HydrophobicContact CB-CG 4.12Å; W118-R123 HydrophobicContact CD2-CB 4.49Å; W118-R123 HydrophobicContact CE3-CB 4.1Å; W118-R123 HydrophobicContact CH2-CB 4.27Å; W118-R123 HydrophobicContact CZ2-CG 4.41Å; W118-R123 HydrophobicContact CZ3-CB 3.99Å
124L93.6Very high92.4Very high65 Ų6536.7 Ų36.734%0.3421%0.208SC..EExtended strand (participates in β ladder)trans-106.1133.9165-59.9-178.8000109.4A70 P116 V117 T119A70-L124 HydrophobicContact CB-CD1 3.96Å; P116-L124 WeakPolarHBondContact CA-O 3.48Å; V117-L124 HydrophobicContact CG2-CB 3.88Å; V117-L124 PolarHBondContact N-O 3.15Å; V117-L124 PolarHBondContact O-N 2.77Å; T119-L124 HydrophobicContact CG2-CB 4.49Å; T119-L124 HydrophobicContact CG2-CD1 3.65Å; T119-L124 HydrophobicContact CG2-CG 3.81Å
125Q95.1Very high92.3Very high57 Ų5736.3 Ų36.327%0.26621%0.206SC..EExtended strand (participates in β ladder)trans-97.7117.5173.5-161.97412.900108.8A109 S114A109-Q125 PolarHBondContact O-NE2 3.44Å; S114-Q125 WeakPolarHBondContact OG-CG 3.45Å; S114-Q125 PolarHBondContact OG-NE2 3Å
126L95.6Very high92.1Very high12 Ų1240.1 Ų40.16%0.06322%0.222CC..EExtended strand (participates in β ladder)trans-106.1120.3-178.8-58.2-177000110.2M66 A70 S114 V115 V117 E130 Y131M66-L126 HydrophobicContact CG-CD1 3.92Å; M66-L126 HydrophobicContact SD-CD1 4.48Å; A70-L126 HydrophobicContact CB-CD1 3.95Å; A70-L126 HydrophobicContact CB-CD2 4.18Å; S114-L126 CarbonylContact C-O 3.54Å; S114-L126 WeakPolarHBondContact CA-O 3.38Å; S114-L126 WeakPolarHBondContact CB-O 3.42Å; V115-L126 PolarHBondContact N-O 2.79Å; V115-L126 PolarHBondContact O-N 3.49Å; V117-L126 HydrophobicContact CG1-CD1 3.89Å; V117-L126 HydrophobicContact CG1-CG 4.48Å; V117-L126 HydrophobicContact CG2-CD1 3.8Å; V117-L126 HydrophobicContact CG2-CG 3.99Å; L126-E130 HydrophobicContact CB-CB 4.34Å; L126-E130 HydrophobicContact CD2-CB 4.36Å; L126-Y131 HydrophobicContact CD1-CD2 4.24Å
127S95.3Very high92Very high45 Ų4541.7 Ų41.732%0.31523%0.232SC..EExtended strand (participates in β ladder)trans-58.3157.4162.262.90000110.7G129 E130 Y131S127-G129 PolarHBondContact O-N 2.77Å; S127-E130 WeakPolarHBondContact CB-OE2 3.5Å; S127-E130 PolarHBondContact N-OE2 3.11Å; S127-E130 WeakPolarHBondContact O-CA 2.85Å; S127-E130 PolarHBondContact O-N 2.72Å; S127-E130 WeakPolarHBondContact OG-CB 3.31Å; S127-E130 VanDerWaalsContact OG-CD 3.3Å; S127-E130 WeakPolarHBondContact OG-CG 3.36Å; S127-E130 PolarHBondContact OG-N 3.32Å; S127-E130 PolarHBondContact OG-OE2 3.15Å; S127-Y131 PolarHBondContact O-N 3.47Å
128I94.3Very high92.1Very high7 Ų741.7 Ų41.74%0.03623%0.232CC..Hα-helixtrans-58-37.5179-53.6-50.5000111.8S113 Y131 Y132 P146 Y173 K176 L177S113-I128 PolarHBondContact O-N 3.49Å; I128-Y131 PolarHBondContact O-N 3.19Å; I128-Y132 WeakPolarHBondContact O-CB 3.32Å; I128-Y132 PolarHBondContact O-N 3.24Å; I128-P146 HydrophobicContact CD1-CB 4.03Å; I128-P146 HydrophobicContact CD1-CG 4.05Å; I128-Y173 HydrophobicContact CD1-CD1 3.57Å; I128-Y173 HydrophobicContact CD1-CE1 4.25Å; I128-Y173 HydrophobicContact CD1-CG 3.91Å; I128-Y173 HydrophobicContact CG1-CD1 4.17Å; I128-K176 HydrophobicContact CB-CB 4.32Å; I128-K176 HydrophobicContact CG1-CB 4.3Å; I128-K176 HydrophobicContact CG1-CD 4.13Å; I128-K176 HydrophobicContact CG2-CB 3.92Å; I128-L177 HydrophobicContact CG2-CB 4.13Å
129G92Very high92.2Very high14 Ų1442.2 Ų42.214%0.14424%0.242CC..Hα-helixtrans-65.9-34.8173.700000113.4S127 K133S127-G129 PolarHBondContact O-N 2.77Å; G129-K133 VanDerWaalsContact O-CG 3.25Å; G129-K133 WeakPolarHBondContact O-CG 3.26Å; G129-K133 PolarHBondContact O-N 2.81Å
130E94Very high92.3Very high73 Ų7342 Ų4234%0.34124%0.24SC..Hα-helixtrans-72.5-39.7173.7-74.3167.4130.500112.8L126 S127 Y132 K133 C134L126-E130 HydrophobicContact CB-CB 4.34Å; L126-E130 HydrophobicContact CD2-CB 4.36Å; S127-E130 WeakPolarHBondContact CB-OE2 3.5Å; S127-E130 PolarHBondContact N-OE2 3.11Å; S127-E130 WeakPolarHBondContact O-CA 2.85Å; S127-E130 PolarHBondContact O-N 2.72Å; S127-E130 WeakPolarHBondContact OG-CB 3.31Å; S127-E130 VanDerWaalsContact OG-CD 3.3Å; S127-E130 WeakPolarHBondContact OG-CG 3.36Å; S127-E130 PolarHBondContact OG-N 3.32Å; S127-E130 PolarHBondContact OG-OE2 3.15Å; E130-Y132 VanDerWaalsContact C-N 3.26Å; E130-Y132 PolarHBondContact O-N 2.8Å; E130-K133 PolarHBondContact O-N 2.9Å; E130-C134 PolarHBondContact O-N 3.27Å; E130-C134 PolarHBondContact O-SG 2.93Å
131Y94.8Very high92.6Very high0 Ų039.2 Ų39.20%022%0.222CC..Hα-helixtrans-57.2-45173.2-169.7-79.1000110.5M66 Q98 V115 L126 S127 I128 C134 S135 Y143 Q144 P146M66-Y131 HydrophobicContact CB-CE2 4.36Å; M66-Y131 HydrophobicContact CE-CD1 3.74Å; M66-Y131 HydrophobicContact CE-CD2 4Å; M66-Y131 HydrophobicContact CE-CE1 3.42Å; M66-Y131 VanDerWaalsContact CE-CE1 3.42Å; M66-Y131 HydrophobicContact CE-CE2 3.72Å; M66-Y131 HydrophobicContact CE-CG 4.01Å; M66-Y131 HydrophobicContact CG-CD2 4.09Å; M66-Y131 HydrophobicContact CG-CE2 3.8Å; Q98-Y131 HydrophobicContact CB-CE2 4.4Å; Q98-Y131 HydrophobicContact CG-CE2 4.25Å; V115-Y131 HydrophobicContact CG2-CD2 3.63Å; V115-Y131 HydrophobicContact CG2-CE2 4.04Å; L126-Y131 HydrophobicContact CD1-CD2 4.24Å; S127-Y131 PolarHBondContact O-N 3.47Å; I128-Y131 PolarHBondContact O-N 3.19Å; Y131-C134 PolarHBondContact O-N 3.18Å; Y131-S135 PolarHBondContact O-N 3.48Å; Y131-S135 PolarHBondContact O-OG 3.46Å; Y131-Y143 HydrophobicContact CE1-CD2 4.33Å; Y131-Q144 WeakPolarHBondContact CE1-O 3.48Å; Y131-Q144 PolarHBondContact OH-O 2.93Å; Y131-P146 HydrophobicContact CD1-CG 3.59Å; Y131-P146 HydrophobicContact CD2-CB 4.45Å; Y131-P146 HydrophobicContact CD2-CG 4.09Å; Y131-P146 HydrophobicContact CE1-CG 3.78Å; Y131-P146 HydrophobicContact CE2-CB 4.43Å; Y131-P146 HydrophobicContact CE2-CG 4.25Å; Y131-P146 HydrophobicContact CG-CG 3.76Å
132Y91.5Very high92.9Very high5 Ų535.9 Ų35.92%0.0219%0.188CC..Hα-helixtrans-60.3-49.2173.2168.7-93.4000112.4I128 E130 C134 S135 K136 L177 E180 H184 L187I128-Y132 WeakPolarHBondContact O-CB 3.32Å; I128-Y132 PolarHBondContact O-N 3.24Å; E130-Y132 VanDerWaalsContact C-N 3.26Å; E130-Y132 PolarHBondContact O-N 2.8Å; Y132-C134 VanDerWaalsContact C-N 3.27Å; Y132-C134 PolarHBondContact O-N 3.38Å; Y132-S135 CarbonylContact O-C 3.49Å; Y132-S135 WeakPolarHBondContact O-CB 3.41Å; Y132-S135 PolarHBondContact O-N 2.97Å; Y132-S135 VanDerWaalsContact O-N 3.1Å; Y132-K136 PolarHBondContact O-N 2.65Å; Y132-L177 HydrophobicContact CD2-CD1 4Å; Y132-E180 HydrophobicContact CD2-CB 4.28Å; Y132-E180 HydrophobicContact CG-CB 4.29Å; Y132-E180 PolarHBondContact OH-O 3.23Å; Y132-H184 AromaticContact CE1-CD2 3.6Å; Y132-H184 AromaticContact CZ-CD2 3.73Å; Y132-H184 WeakPolarHBondContact OH-CB 3.19Å; Y132-H184 PolarHBondContact OH-CD2 3.19Å; Y132-L187 HydrophobicContact CD2-CD2 4.35Å; Y132-L187 HydrophobicContact CE1-CD1 4.25Å; Y132-L187 HydrophobicContact CE1-CD2 4.46Å; Y132-L187 HydrophobicContact CE2-CB 3.81Å; Y132-L187 HydrophobicContact CE2-CD1 4.3Å; Y132-L187 HydrophobicContact CE2-CD2 3.55Å; Y132-L187 HydrophobicContact CE2-CG 4.02Å; Y132-L187 WeakPolarHBondContact OH-CB 3.31Å; Y132-L187 WeakPolarHBondContact OH-CD1 3.22Å; Y132-L187 VanDerWaalsContact OH-CG 3.31Å; Y132-L187 WeakPolarHBondContact OH-CG 3.31Å
133K91.7Very high93.2Very high111 Ų11134.6 Ų34.648%0.48317%0.174SC..Hα-helixtrans-58-40.5177.4-74.5168.2-172.8175.90111.6G129 E130 K136 V137G129-K133 VanDerWaalsContact O-CG 3.25Å; G129-K133 WeakPolarHBondContact O-CG 3.26Å; G129-K133 PolarHBondContact O-N 2.81Å; E130-K133 PolarHBondContact O-N 2.9Å; K133-K136 WeakPolarHBondContact O-CB 3.44Å; K133-K136 PolarHBondContact O-N 2.95Å; K133-V137 WeakPolarHBondContact O-CB 3.43Å; K133-V137 VanDerWaalsContact O-CG2 3.29Å; K133-V137 WeakPolarHBondContact O-CG2 3.49Å; K133-V137 PolarHBondContact O-N 3.03Å
134C94.5Very high93.4Very high2 Ų228.5 Ų28.51%0.01415%0.151CC..Hα-helixtrans-63.8-47.2174.9-65.20000111.1M66 V69 E130 Y131 Y132 K136 V137 A138M66-C134 HydrophobicContact CE-CB 4.35Å; M66-C134 HydrophobicContact SD-CB 3.42Å; M66-C134 WeakPolarHBondContact SD-CB 3.38Å; V69-C134 HydrophobicContact CG1-CB 3.73Å; V69-C134 VanDerWaalsContact CG1-O 3.32Å; V69-C134 WeakPolarHBondContact CG1-O 3.49Å; E130-C134 PolarHBondContact O-N 3.27Å; E130-C134 PolarHBondContact O-SG 2.93Å; Y131-C134 PolarHBondContact O-N 3.18Å; Y132-C134 VanDerWaalsContact C-N 3.27Å; Y132-C134 PolarHBondContact O-N 3.38Å; C134-K136 VanDerWaalsContact C-N 3.3Å; C134-K136 PolarHBondContact O-N 2.81Å; C134-V137 PolarHBondContact O-N 3.47Å; C134-A138 WeakPolarHBondContact O-CB 3.42Å; C134-A138 PolarHBondContact O-N 3.29Å
135S93Very high93.5Very high2 Ų225.5 Ų25.51%0.01414%0.135CC..Hα-helixtrans-58.1-40.9175.6-540000112.1M66 Y131 Y132 S139 P140 Y143 R190M66-S135 VanDerWaalsContact CE-OG 3.22Å; M66-S135 WeakPolarHBondContact CE-OG 3.36Å; Y131-S135 PolarHBondContact O-N 3.48Å; Y131-S135 PolarHBondContact O-OG 3.46Å; Y132-S135 CarbonylContact O-C 3.49Å; Y132-S135 WeakPolarHBondContact O-CB 3.41Å; Y132-S135 PolarHBondContact O-N 2.97Å; Y132-S135 VanDerWaalsContact O-N 3.1Å; S135-S139 PolarHBondContact O-N 3.17Å; S135-P140 WeakPolarHBondContact O-CD 3.49Å; S135-Y143 WeakPolarHBondContact OG-CD2 3.12Å; S135-R190 PolarHBondContact O-NH1 3.35Å
136K90.7Very high93.5Very high81 Ų8122.8 Ų22.835%0.35212%0.122SC..Hα-helixtrans-58.5-54.6174.4-176.1-179.7-173160.70110.9Y132 K133 C134 A138 S139 E186 L187 R190Y132-K136 PolarHBondContact O-N 2.65Å; K133-K136 WeakPolarHBondContact O-CB 3.44Å; K133-K136 PolarHBondContact O-N 2.95Å; C134-K136 VanDerWaalsContact C-N 3.3Å; C134-K136 PolarHBondContact O-N 2.81Å; K136-A138 PolarHBondContact O-N 2.82Å; K136-S139 PolarHBondContact O-N 2.7Å; K136-S139 VanDerWaalsContact O-N 3.16Å; K136-E186 IonicContact NZ-OE2 3.92Å; K136-L187 HydrophobicContact CB-CD1 4.43Å; K136-L187 HydrophobicContact CB-CD2 3.69Å; K136-L187 HydrophobicContact CD-CD1 3.5Å; K136-L187 HydrophobicContact CD-CD2 4.39Å; K136-L187 HydrophobicContact CD-CG 4.48Å; K136-L187 HydrophobicContact CG-CD1 3.87Å; K136-L187 HydrophobicContact CG-CD2 3.86Å; K136-L187 HydrophobicContact CG-CG 4.34Å; K136-R190 PolarHBondContact O-NH1 3.41Å
137V92.3Very high93.5Very high33 Ų3322.4 Ų22.420%0.212%0.121CC..Hα-helixtrans-64.5-38.5-176.3166.70000111.9L76 T77 K133 C134 S139L76-V137 HydrophobicContact CB-CG1 3.34Å; T77-V137 WeakPolarHBondContact OG1-CG2 3.31Å; K133-V137 WeakPolarHBondContact O-CB 3.43Å; K133-V137 VanDerWaalsContact O-CG2 3.29Å; K133-V137 WeakPolarHBondContact O-CG2 3.49Å; K133-V137 PolarHBondContact O-N 3.03Å; C134-V137 PolarHBondContact O-N 3.47Å; V137-S139 VanDerWaalsContact C-N 3.25Å; V137-S139 PolarHBondContact O-N 2.67Å
138A93.2Very high93.4Very high0 Ų020.3 Ų20.30%011%0.106CC..Hα-helixtrans-65-29.817600000112.7V69 G82 I83 L96 C134 K136 P140V69-A138 HydrophobicContact CB-CB 4.44Å; V69-A138 HydrophobicContact CG1-CB 3.8Å; V69-A138 HydrophobicContact CG2-CB 3.71Å; G82-A138 CarbonylContact C-O 3.57Å; G82-A138 WeakPolarHBondContact CA-O 3.49Å; I83-A138 HydrophobicContact CB-CB 4.36Å; I83-A138 HydrophobicContact CG2-CB 4.44Å; I83-A138 VanDerWaalsContact CG2-O 3.31Å; I83-A138 WeakPolarHBondContact CG2-O 3.4Å; I83-A138 PolarHBondContact N-O 3.47Å; L96-A138 HydrophobicContact CD2-CB 4.05Å; C134-A138 WeakPolarHBondContact O-CB 3.42Å; C134-A138 PolarHBondContact O-N 3.29Å; K136-A138 PolarHBondContact O-N 2.82Å; A138-P140 VanDerWaalsContact C-CD 3.49Å
139S91.2Very high93Very high54 Ų5420.8 Ų20.838%0.37811%0.108SC..  trans49.249.3-176.8-160.90000114.7S135 K136 V137 R190S135-S139 PolarHBondContact O-N 3.17Å; K136-S139 PolarHBondContact O-N 2.7Å; K136-S139 VanDerWaalsContact O-N 3.16Å; V137-S139 VanDerWaalsContact C-N 3.25Å; V137-S139 PolarHBondContact O-N 2.67Å; S139-R190 VanDerWaalsContact CA-NH1 3.27Å; S139-R190 PolarHBondContact OG-NH2 2.72Å
140P92.7Very high92.6Very high8 Ų820.5 Ų20.55%0.05210%0.103CC..  trans-70.2164174.435.4-35.5000110.1A94 L96 S135 A138 V142 Y143A94-P140 HydrophobicContact CB-CB 4.46Å; A94-P140 VanDerWaalsContact O-CB 3.31Å; A94-P140 WeakPolarHBondContact O-CB 3.43Å; L96-P140 HydrophobicContact CB-CB 3.89Å; L96-P140 HydrophobicContact CB-CG 3.93Å; L96-P140 HydrophobicContact CD2-CG 4.18Å; S135-P140 WeakPolarHBondContact O-CD 3.49Å; A138-P140 VanDerWaalsContact C-CD 3.49Å; P140-V142 VanDerWaalsContact C-N 3.32Å; P140-Y143 HydrophobicContact CG-CD1 4.43Å
141I91.4Very high92Very high27 Ų2717.3 Ų17.314%0.1389%0.089CC..SBendtrans-64.7-44.4170.2-72.9-179.1000110V2 E21 I23 I28 F61 A94V2-I141 HydrophobicContact CB-CG2 4.48Å; V2-I141 HydrophobicContact CG2-CB 4.47Å; V2-I141 HydrophobicContact CG2-CG2 3.03Å; E21-I141 HydrophobicContact CB-CD1 4.05Å; E21-I141 HydrophobicContact CB-CG2 4.33Å; E21-I141 HydrophobicContact CG-CD1 3.89Å; E21-I141 HydrophobicContact CG-CG1 4.24Å; E21-I141 HydrophobicContact CG-CG2 3.97Å; I23-I141 HydrophobicContact CD1-CD1 3.59Å; I23-I141 HydrophobicContact CD1-CG1 4.15Å; I23-I141 HydrophobicContact CG1-CD1 4.24Å; I28-I141 HydrophobicContact CD1-CD1 3.75Å; F61-I141 HydrophobicContact CD1-CD1 4.33Å; F61-I141 HydrophobicContact CE1-CD1 3.97Å; A94-I141 PolarHBondContact O-N 3.45Å
142V93.6Very high91.3Very high1 Ų117.7 Ų17.71%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-148.9149.918072.10000109V2 V95 L96 P140 S191 L193V2-V142 HydrophobicContact CG2-CB 4.05Å; V2-V142 HydrophobicContact CG2-CG1 4.29Å; V95-V142 WeakPolarHBondContact CA-O 3.38Å; V95-V142 HydrophobicContact CB-CG1 4.27Å; V95-V142 HydrophobicContact CG1-CG1 3.73Å; V95-V142 HydrophobicContact CG2-CG1 4Å; L96-V142 PolarHBondContact N-O 3.47Å; P140-V142 VanDerWaalsContact C-N 3.32Å; V142-S191 WeakPolarHBondContact CA-O 3.46Å; V142-S191 WeakPolarHBondContact CG2-O 3.46Å; V142-L193 HydrophobicContact CG1-CD1 4.19Å; V142-L193 HydrophobicContact CG1-CD2 4.29Å; V142-L193 HydrophobicContact CG1-CG 4.21Å; V142-L193 HydrophobicContact CG2-CD1 4.38Å; V142-L193 HydrophobicContact CG2-CD2 3.54Å; V142-L193 HydrophobicContact CG2-CG 3.54Å
143Y94.8Very high90.5Very high2 Ų218.1 Ų18.11%0.0089%0.093CC..EExtended strand (participates in β ladder)trans-137.7146.7179.766-76.6000111.9L96 Y131 S135 P140 L177 R190 S191 I192 L193L96-Y143 CarbonylContact O-C 3.36Å; L96-Y143 VanDerWaalsContact O-CA 3.27Å; L96-Y143 WeakPolarHBondContact O-CA 3.33Å; Y131-Y143 HydrophobicContact CE1-CD2 4.33Å; S135-Y143 WeakPolarHBondContact OG-CD2 3.12Å; P140-Y143 HydrophobicContact CG-CD1 4.43Å; Y143-L177 HydrophobicContact CE2-CD1 4.35Å; Y143-L177 HydrophobicContact CE2-CD2 3.86Å; Y143-R190 HydrophobicContact CE1-CB 4.34Å; Y143-S191 VanDerWaalsContact CD1-O 3.31Å; Y143-S191 WeakPolarHBondContact CD1-O 3.38Å; Y143-S191 PolarHBondContact N-O 2.98Å; Y143-I192 HydrophobicContact CE1-CG1 3.94Å; Y143-I192 HydrophobicContact CE2-CG1 4.37Å; Y143-I192 CarbonylContact O-C 3.59Å; Y143-I192 WeakPolarHBondContact O-CA 3.2Å; Y143-I192 WeakPolarHBondContact OH-CG1 3.38Å; Y143-L193 PolarHBondContact O-N 3.42Å
144Q96.5Very high89.5Confident0 Ų019 Ų190%010%0.102CC..EExtended strand (participates in β ladder)trans-66.1135.9175.2-171.7-173.72.200110.5L96 F97 Y131 S195 V221L96-Q144 PolarHBondContact O-N 3.22Å; F97-Q144 HydrophobicContact CD1-CB 4.38Å; Y131-Q144 WeakPolarHBondContact CE1-O 3.48Å; Y131-Q144 PolarHBondContact OH-O 2.93Å; Q144-S195 WeakPolarHBondContact CG-OG 3.34Å; Q144-S195 PolarHBondContact NE2-OG 3.43Å; Q144-V221 HydrophobicContact CG-CB 4.33Å; Q144-V221 HydrophobicContact CG-CG1 4.4Å; Q144-V221 HydrophobicContact CG-CG2 4.27Å
145S95.6Very high88.3Confident1 Ų122.2 Ų22.21%0.00712%0.12CC..PPolyproline II helixtrans-66.7143.3167.770.40000109.8T147 L193 S195S145-T147 PolarHBondContact O-N 3.48Å; S145-L193 PolarHBondContact N-O 3.43Å; S145-L193 PolarHBondContact OG-O 3.5Å; S145-S195 PolarHBondContact O-OG 3.2Å; S145-S195 PolarHBondContact OG-N 3.07Å
146P95.7Very high87.2Confident0 Ų024.1 Ų24.10%013%0.131CC..PPolyproline II helixtrans-50.8142.1176.4-20.827.3000111.3V115 I128 Y131 Y173V115-P146 HydrophobicContact CG1-CB 3.81Å; V115-P146 HydrophobicContact CG2-CB 4.05Å; I128-P146 HydrophobicContact CD1-CB 4.03Å; I128-P146 HydrophobicContact CD1-CG 4.05Å; Y131-P146 HydrophobicContact CD1-CG 3.59Å; Y131-P146 HydrophobicContact CD2-CB 4.45Å; Y131-P146 HydrophobicContact CD2-CG 4.09Å; Y131-P146 HydrophobicContact CE1-CG 3.78Å; Y131-P146 HydrophobicContact CE2-CB 4.43Å; Y131-P146 HydrophobicContact CE2-CG 4.25Å; Y131-P146 HydrophobicContact CG-CG 3.76Å; P146-Y173 HydrophobicContact CB-CD2 4.07Å; P146-Y173 HydrophobicContact CB-CG 4.16Å; P146-Y173 WeakPolarHBondContact O-CD2 3.24Å
147T95.1Very high86.6Confident4 Ų426.4 Ų26.43%0.02515%0.147CC..  trans-142.2149.4-172.8-170.40000112.2Q98 S145 N149 T170 S195Q98-T147 PolarHBondContact NE2-O 3.19Å; Q98-T147 PolarHBondContact OE1-O 3.02Å; S145-T147 PolarHBondContact O-N 3.48Å; T147-N149 HydrophobicContact CG2-CB 3.9Å; T147-N149 PolarHBondContact O-N 2.85Å; T147-T170 PolarHBondContact OG1-OG1 2.95Å; T147-S195 VanDerWaalsContact CB-CB 3.5Å
148D93.3Very high86.1Confident2 Ų225.6 Ų25.61%0.01114%0.143CC..  trans-9185.9164.7-175.1-8.3000108.9V110 R162 S166 R169 T170 Y173V110-D148 HydrophobicContact CG1-CB 3.79Å; D148-R162 VanDerWaalsContact CG-NH1 3.32Å; D148-R162 IonicContact OD1-CZ 3.55Å; D148-R162 IonicContact OD1-NH1 2.72Å; D148-R162 PolarHBondContact OD1-NH1 3.29Å; D148-R162 IonicContact OD1-NH2 3.54Å; D148-R162 PolarHBondContact OD1-NH2 3.35Å; D148-R162 IonicContact OD2-CZ 2.69Å; D148-R162 IonicContact OD2-NH1 2.69Å; D148-R162 PolarHBondContact OD2-NH1 3.28Å; D148-R162 IonicContact OD2-NH2 3.23Å; D148-S166 WeakPolarHBondContact O-CB 3.41Å; D148-S166 VanDerWaalsContact OD2-CA 3.32Å; D148-S166 WeakPolarHBondContact OD2-CA 3.24Å; D148-S166 WeakPolarHBondContact OD2-CB 3.39Å; D148-R169 HydrophobicContact CB-CB 4.23Å; D148-R169 WeakPolarHBondContact OD2-CD 3.18Å; D148-R169 IonicContact OD2-CZ 3.45Å; D148-R169 IonicContact OD2-NH1 3.81Å; D148-R169 PolarHBondContact OD2-NH1 3.46Å; D148-T170 PolarHBondContact N-OG1 3.36Å; D148-Y173 HydrophobicContact CB-CE2 4.41Å
149N85.3Confident86Confident16 Ų1629.8 Ų29.89%0.08617%0.168CC..  trans-94.71.7-179.459.2-3000113.5T147 T151 D223 G224T147-N149 HydrophobicContact CG2-CB 3.9Å; T147-N149 PolarHBondContact O-N 2.85Å; N149-T151 PolarHBondContact O-N 2.91Å; N149-T151 VanDerWaalsContact O-N 3.16Å; N149-D223 PolarHBondContact ND2-OD2 3.4Å; N149-G224 WeakPolarHBondContact O-CA 3.39Å
150E83.3Confident85.9Confident8 Ų832.1 Ų32.14%0.03718%0.176CC..  trans-88.831.2-174.4-58.7-179.2157.900112.7A108 A109 V110 P116 F152 L153 R162A108-E150 WeakPolarHBondContact CA-OE2 3.19Å; A109-E150 PolarHBondContact N-OE2 2.96Å; V110-E150 HydrophobicContact CG2-CG 4.07Å; V110-E150 VanDerWaalsContact CG2-OE2 3.28Å; V110-E150 WeakPolarHBondContact CG2-OE2 3.38Å; V110-E150 PolarHBondContact N-OE2 3.28Å; P116-E150 VanDerWaalsContact CG-OE1 3.23Å; P116-E150 WeakPolarHBondContact CG-OE1 3.43Å; E150-F152 PolarHBondContact O-N 3.35Å; E150-L153 HydrophobicContact CB-CB 3.94Å; E150-L153 HydrophobicContact CB-CD2 3.92Å; E150-L153 HydrophobicContact CG-CD2 3.87Å; E150-L153 PolarHBondContact O-N 2.93Å; E150-R162 VanDerWaalsContact C-NH2 3.35Å; E150-R162 PolarHBondContact O-NH2 3.15Å
151T82.8Confident86Confident6 Ų639.6 Ų39.64%0.03721%0.208CC..THydrogen-bonded Turntrans-64.2-41.9-176.148.70000112.2N149 P158 S166N149-T151 PolarHBondContact O-N 2.91Å; N149-T151 VanDerWaalsContact O-N 3.16Å; T151-P158 WeakPolarHBondContact O-CB 3.36Å; T151-S166 WeakPolarHBondContact CG2-OG 3.15Å
152F79.6Confident86Confident9 Ų940.5 Ų40.54%0.03921%0.209CC..THydrogen-bonded Turntrans-94.26.8-178.4-66.8-78.8000113.7E150 L154 D155 P158 Y200 G224 L226 L229 P230E150-F152 PolarHBondContact O-N 3.35Å; F152-L154 PolarHBondContact O-N 3.04Å; F152-D155 CarbonylContact C-O 3.35Å; F152-D155 WeakPolarHBondContact CA-O 3.44Å; F152-P158 HydrophobicContact CD1-CG 3.59Å; F152-P158 VanDerWaalsContact CE1-CD 3.47Å; F152-P158 HydrophobicContact CE1-CG 3.62Å; F152-P158 HydrophobicContact CG-CG 4.21Å; F152-P158 HydrophobicContact CZ-CG 4.26Å; F152-Y200 HydrophobicContact CE1-CD2 4.31Å; F152-Y200 HydrophobicContact CE1-CE2 4.47Å; F152-Y200 HydrophobicContact CE1-CG 4.48Å; F152-Y200 AromaticContact CE2-CD1 3.79Å; F152-Y200 HydrophobicContact CE2-CD1 3.79Å; F152-Y200 AromaticContact CE2-CE1 3.82Å; F152-Y200 HydrophobicContact CE2-CE1 3.82Å; F152-Y200 HydrophobicContact CE2-CG 4.2Å; F152-Y200 AromaticContact CZ-CD1 3.68Å; F152-Y200 HydrophobicContact CZ-CD1 3.68Å; F152-Y200 AromaticContact CZ-CD2 3.82Å; F152-Y200 HydrophobicContact CZ-CD2 3.82Å; F152-Y200 AromaticContact CZ-CE1 3.95Å; F152-Y200 HydrophobicContact CZ-CE1 3.95Å; F152-Y200 HydrophobicContact CZ-CE2 4.12Å; F152-Y200 AromaticContact CZ-CG 3.59Å; F152-Y200 HydrophobicContact CZ-CG 3.59Å; F152-G224 WeakPolarHBondContact CD2-O 3.27Å; F152-L226 HydrophobicContact CB-CD1 4.08Å; F152-L229 HydrophobicContact CB-CD2 3.49Å; F152-L229 VanDerWaalsContact CB-CD2 3.49Å; F152-L229 HydrophobicContact CD1-CD2 3.43Å; F152-L229 VanDerWaalsContact CD1-CD2 3.43Å; F152-L229 HydrophobicContact CE1-CD2 4.34Å; F152-L229 HydrophobicContact CG-CD2 3.64Å; F152-P230 WeakPolarHBondContact O-CD 3.45Å
153L75Confident85.9Confident14 Ų1441 Ų417%0.07321%0.212CC..SBendtrans-72.9-28.5-170.2-173.861.8000114.2A105 V107 A108 E150 P230A105-L153 HydrophobicContact CB-CD1 3.96Å; A105-L153 HydrophobicContact CB-CD2 3.63Å; A105-L153 HydrophobicContact CB-CG 4.47Å; A105-L153 WeakPolarHBondContact O-CD1 3.49Å; V107-L153 VanDerWaalsContact C-CD2 3.44Å; V107-L153 WeakPolarHBondContact O-CD2 3.32Å; A108-L153 HydrophobicContact CB-CD2 4.11Å; E150-L153 HydrophobicContact CB-CB 3.94Å; E150-L153 HydrophobicContact CB-CD2 3.92Å; E150-L153 HydrophobicContact CG-CD2 3.87Å; E150-L153 PolarHBondContact O-N 2.93Å; L153-P230 HydrophobicContact CD1-CG 3.81Å; L153-P230 WeakPolarHBondContact O-CG 3.47Å
154L69.2Low86Confident128 Ų12847.7 Ų47.767%0.6724%0.237SC*.SBendtrans-107.2-12.8-177.9-62.3178.7000112.6A108 F152A108-L154 HydrophobicContact CB-CD1 3.7Å; A108-L154 HydrophobicContact CB-CD2 4.07Å; A108-L154 HydrophobicContact CB-CG 3.8Å; F152-L154 PolarHBondContact O-N 3.04Å
155D69.4Low85.9Confident71 Ų7149.5 Ų49.538%0.3825%0.25SC..  trans-157.2131-168.4-163.7-22.6000109.3F152 N157F152-D155 CarbonylContact C-O 3.35Å; F152-D155 WeakPolarHBondContact CA-O 3.44Å; D155-N157 PolarHBondContact O-N 2.97Å; D155-N157 PolarHBondContact OD1-N 3.29Å
156V70.8Confident85.8Confident41 Ų4149.5 Ų49.525%0.24825%0.25CC..SBendtrans-60.6-29.4171.4-71.10000111.4L229 V231V156-L229 HydrophobicContact CB-CB 4.32Å; V156-L229 HydrophobicContact CB-CD1 3.71Å; V156-L229 HydrophobicContact CB-CG 4.5Å; V156-L229 HydrophobicContact CG1-CB 3.58Å; V156-L229 HydrophobicContact CG1-CD1 3.75Å; V156-L229 HydrophobicContact CG1-CG 4.23Å; V156-V231 HydrophobicContact CG1-CG2 4.24Å
157N78.1Confident85.8Confident130 Ų13049.5 Ų49.570%0.69525%0.25SC*.SBendtrans-126.570-177.9-70.1-50000111.1D155 T159D155-N157 PolarHBondContact O-N 2.97Å; D155-N157 PolarHBondContact OD1-N 3.29Å; N157-T159 PolarHBondContact O-N 3.41Å
158P82.7Confident85.8Confident16 Ų1653.3 Ų53.310%0.10427%0.273CS..  trans-62.5137.9-173.726.2-34000112.2T151 F152 R162 I163T151-P158 WeakPolarHBondContact O-CB 3.36Å; F152-P158 HydrophobicContact CD1-CG 3.59Å; F152-P158 VanDerWaalsContact CE1-CD 3.47Å; F152-P158 HydrophobicContact CE1-CG 3.62Å; F152-P158 HydrophobicContact CG-CG 4.21Å; F152-P158 HydrophobicContact CZ-CG 4.26Å; P158-R162 HydrophobicContact CB-CG 4.36Å; P158-I163 HydrophobicContact CB-CG1 4.27Å; P158-I163 HydrophobicContact CG-CD1 4.15Å; P158-I163 HydrophobicContact CG-CG1 4.11Å
159T89.3Confident86Confident87 Ų8756.3 Ų56.353%0.53428%0.284SS..  trans-56145.4178.265.90000112.2N157 K161 R162 I163N157-T159 PolarHBondContact O-N 3.41Å; T159-K161 PolarHBondContact O-N 3.23Å; T159-R162 WeakPolarHBondContact O-CA 3.34Å; T159-R162 WeakPolarHBondContact O-CB 3.32Å; T159-R162 PolarHBondContact O-N 3.42Å; T159-R162 PolarHBondContact OG1-N 2.63Å; T159-I163 PolarHBondContact O-N 3.07Å; T159-I163 VanDerWaalsContact O-N 3.12Å
160L91Very high86.5Confident104 Ų10455.7 Ų55.755%0.54528%0.281SS..Hα-helixtrans-52.9-31.5173.6-73.2176.6000112.8I163 R164L160-I163 PolarHBondContact O-N 2.87Å; L160-R164 VanDerWaalsContact O-CB 3.28Å; L160-R164 WeakPolarHBondContact O-CB 3.38Å; L160-R164 PolarHBondContact O-N 3.02Å
161K93Very high87Confident165 Ų16555.8 Ų55.872%0.71728%0.283SS*.Hα-helixtrans-63.3-42.7174.3-176.1-178.7177.4-177.30112.1T159 S165T159-K161 PolarHBondContact O-N 3.23Å; K161-S165 WeakPolarHBondContact O-CB 3.45Å; K161-S165 PolarHBondContact O-N 3.19Å; K161-S165 PolarHBondContact O-OG 2.93Å
162R91.6Very high87.6Confident45 Ų4556.7 Ų56.717%0.1729%0.293CS..Hα-helixtrans-66.3-42.9177.8173.462.2-171.5105.6-6.8111.4D148 E150 P158 T159 S165 S166D148-R162 VanDerWaalsContact CG-NH1 3.32Å; D148-R162 IonicContact OD1-CZ 3.55Å; D148-R162 IonicContact OD1-NH1 2.72Å; D148-R162 PolarHBondContact OD1-NH1 3.29Å; D148-R162 IonicContact OD1-NH2 3.54Å; D148-R162 PolarHBondContact OD1-NH2 3.35Å; D148-R162 IonicContact OD2-CZ 2.69Å; D148-R162 IonicContact OD2-NH1 2.69Å; D148-R162 PolarHBondContact OD2-NH1 3.28Å; D148-R162 IonicContact OD2-NH2 3.23Å; E150-R162 VanDerWaalsContact C-NH2 3.35Å; E150-R162 PolarHBondContact O-NH2 3.15Å; P158-R162 HydrophobicContact CB-CG 4.36Å; T159-R162 WeakPolarHBondContact O-CA 3.34Å; T159-R162 WeakPolarHBondContact O-CB 3.32Å; T159-R162 PolarHBondContact O-N 3.42Å; T159-R162 PolarHBondContact OG1-N 2.63Å; R162-S165 WeakPolarHBondContact O-CB 3.31Å; R162-S165 PolarHBondContact O-N 2.95Å; R162-S166 PolarHBondContact O-N 2.89Å
163I92.3Very high88.4Confident13 Ų1356.3 Ų56.37%0.06729%0.291CS..Hα-helixtrans-65.7-46.9177.3-54.7176000110.3P158 T159 L160 S165 S166 V167 G198 L204P158-I163 HydrophobicContact CB-CG1 4.27Å; P158-I163 HydrophobicContact CG-CD1 4.15Å; P158-I163 HydrophobicContact CG-CG1 4.11Å; T159-I163 PolarHBondContact O-N 3.07Å; T159-I163 VanDerWaalsContact O-N 3.12Å; L160-I163 PolarHBondContact O-N 2.87Å; I163-S165 PolarHBondContact O-N 3.41Å; I163-S166 PolarHBondContact O-N 2.97Å; I163-S166 PolarHBondContact O-OG 3.03Å; I163-V167 PolarHBondContact O-N 3Å; I163-G198 WeakPolarHBondContact CG2-O 3.32Å; I163-L204 HydrophobicContact CB-CD1 3.77Å; I163-L204 HydrophobicContact CG2-CB 4.34Å; I163-L204 HydrophobicContact CG2-CD1 3.43Å; I163-L204 VanDerWaalsContact CG2-CD1 3.43Å
164R95.5Very high89.3Confident141 Ų14156.7 Ų56.753%0.53229%0.293SS..Hα-helixtrans-59.4-37.9175.5-176.9178.1-74.6139-2112L160 S166 V167 V168 L204L160-R164 VanDerWaalsContact O-CB 3.28Å; L160-R164 WeakPolarHBondContact O-CB 3.38Å; L160-R164 PolarHBondContact O-N 3.02Å; R164-S166 VanDerWaalsContact C-N 3.28Å; R164-S166 PolarHBondContact O-N 3.13Å; R164-V167 PolarHBondContact O-N 3.39Å; R164-V168 WeakPolarHBondContact O-CG2 3.44Å; R164-V168 PolarHBondContact O-N 3.49Å; R164-V168 VanDerWaalsContact O-N 3.15Å; R164-L204 HydrophobicContact CB-CD1 4.34Å; R164-L204 HydrophobicContact CB-CD2 4.11Å; R164-L204 HydrophobicContact CG-CD2 4.26Å
165S94.6Very high90.4Very high39 Ų3957.1 Ų57.127%0.27329%0.29SS..Hα-helixtrans-63.2-34176.2-59.10000112.4K161 R162 I163 R169K161-S165 WeakPolarHBondContact O-CB 3.45Å; K161-S165 PolarHBondContact O-N 3.19Å; K161-S165 PolarHBondContact O-OG 2.93Å; R162-S165 WeakPolarHBondContact O-CB 3.31Å; R162-S165 PolarHBondContact O-N 2.95Å; I163-S165 PolarHBondContact O-N 3.41Å; S165-R169 WeakPolarHBondContact O-CB 3.3Å; S165-R169 VanDerWaalsContact O-CG 3.26Å; S165-R169 WeakPolarHBondContact O-CG 3.45Å; S165-R169 PolarHBondContact O-N 2.72Å
166S94.3Very high91.5Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-69.8-37.6177.873.20000112.6D148 T151 R162 I163 R164 T170D148-S166 WeakPolarHBondContact O-CB 3.41Å; D148-S166 VanDerWaalsContact OD2-CA 3.32Å; D148-S166 WeakPolarHBondContact OD2-CA 3.24Å; D148-S166 WeakPolarHBondContact OD2-CB 3.39Å; T151-S166 WeakPolarHBondContact CG2-OG 3.15Å; R162-S166 PolarHBondContact O-N 2.89Å; I163-S166 PolarHBondContact O-N 2.97Å; I163-S166 PolarHBondContact O-OG 3.03Å; R164-S166 VanDerWaalsContact C-N 3.28Å; R164-S166 PolarHBondContact O-N 3.13Å; S166-T170 VanDerWaalsContact O-CB 3.24Å; S166-T170 WeakPolarHBondContact O-CB 3.3Å; S166-T170 PolarHBondContact O-N 3.06Å; S166-T170 PolarHBondContact O-OG1 3Å
167V95.9Very high92.5Very high0 Ų055.7 Ų55.70%028%0.277CS..Hα-helixtrans-60-53.5172.9177.90000110.8I163 R164 R169 T170 S171 A197 L204 Q207I163-V167 PolarHBondContact O-N 3Å; R164-V167 PolarHBondContact O-N 3.39Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.99Å; V167-T170 PolarHBondContact O-N 3.48Å; V167-S171 WeakPolarHBondContact O-CB 3.41Å; V167-S171 PolarHBondContact O-N 3.19Å; V167-A197 HydrophobicContact CG2-CB 4.41Å; V167-L204 HydrophobicContact CG2-CB 4.07Å; V167-Q207 HydrophobicContact CG1-CG 4.38Å
168V95.8Very high92.9Very high85 Ų8550.3 Ų50.352%0.51525%0.25SS..Hα-helixtrans-60.3-43.1-178.6173.80000111.6R164 G172R164-V168 WeakPolarHBondContact O-CG2 3.44Å; R164-V168 PolarHBondContact O-N 3.49Å; R164-V168 VanDerWaalsContact O-N 3.15Å; V168-G172 PolarHBondContact O-N 3.43Å
169R95.7Very high93.1Very high65 Ų6552.8 Ų52.825%0.24527%0.268CS..Hα-helixtrans-66-47.4178.8-77-178.8-166.3141-7.6112D148 S165 V167 S171 G172 Y173D148-R169 HydrophobicContact CB-CB 4.23Å; D148-R169 WeakPolarHBondContact OD2-CD 3.18Å; D148-R169 IonicContact OD2-CZ 3.45Å; D148-R169 IonicContact OD2-NH1 3.81Å; D148-R169 PolarHBondContact OD2-NH1 3.46Å; S165-R169 WeakPolarHBondContact O-CB 3.3Å; S165-R169 VanDerWaalsContact O-CG 3.26Å; S165-R169 WeakPolarHBondContact O-CG 3.45Å; S165-R169 PolarHBondContact O-N 2.72Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.99Å; R169-S171 PolarHBondContact O-N 2.91Å; R169-G172 CarbonylContact O-C 3.59Å; R169-G172 WeakPolarHBondContact O-CA 3.23Å; R169-G172 PolarHBondContact O-N 3.18Å; R169-G172 VanDerWaalsContact O-N 3.1Å; R169-Y173 HydrophobicContact CB-CE1 4.45Å; R169-Y173 HydrophobicContact CB-CE2 3.97Å; R169-Y173 WeakPolarHBondContact O-CD1 3.46Å; R169-Y173 VanDerWaalsContact O-CD2 3.3Å; R169-Y173 WeakPolarHBondContact O-CD2 3.44Å; R169-Y173 PolarHBondContact O-N 3.11Å
170T95.8Very high92.8Very high2 Ų251.8 Ų51.81%0.01226%0.257CS..Hα-helixtrans-61.4-46.2-178.8-57.30000111.6T147 D148 S166 V167 G172 Y173 L174 S195 A197T147-T170 PolarHBondContact OG1-OG1 2.95Å; D148-T170 PolarHBondContact N-OG1 3.36Å; S166-T170 VanDerWaalsContact O-CB 3.24Å; S166-T170 WeakPolarHBondContact O-CB 3.3Å; S166-T170 PolarHBondContact O-N 3.06Å; S166-T170 PolarHBondContact O-OG1 3Å; V167-T170 PolarHBondContact O-N 3.48Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 2.83Å; T170-Y173 PolarHBondContact O-N 3.32Å; T170-L174 PolarHBondContact O-N 2.8Å; T170-L174 VanDerWaalsContact O-N 3.09Å; T170-S195 VanDerWaalsContact CG2-O 3.31Å; T170-S195 WeakPolarHBondContact CG2-O 3.48Å; T170-A197 HydrophobicContact CG2-CB 4.21Å
171S94.9Very high92.3Very high11 Ų1147.4 Ų47.48%0.07724%0.235CC..Hα-helixtrans-59.1-42.1172.4170.80000111.5V167 R169 Y173 L174 K175 E211V167-S171 WeakPolarHBondContact O-CB 3.41Å; V167-S171 PolarHBondContact O-N 3.19Å; R169-S171 PolarHBondContact O-N 2.91Å; S171-Y173 PolarHBondContact O-N 3.02Å; S171-L174 PolarHBondContact O-N 3.37Å; S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.99Å; S171-E211 WeakPolarHBondContact CB-OE2 3.49Å; S171-E211 PolarHBondContact OG-OE2 3.4Å
172G95.2Very high91.6Very high25 Ų2546.1 Ų46.126%0.25824%0.235SC..Hα-helixtrans-62.6-38.6174.100000114.2V168 R169 T170 K176V168-G172 PolarHBondContact O-N 3.43Å; R169-G172 CarbonylContact O-C 3.59Å; R169-G172 WeakPolarHBondContact O-CA 3.23Å; R169-G172 PolarHBondContact O-N 3.18Å; R169-G172 VanDerWaalsContact O-N 3.1Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 2.83Å; G172-K176 WeakPolarHBondContact O-CG 3.49Å; G172-K176 PolarHBondContact O-N 2.77Å; G172-K176 VanDerWaalsContact O-N 3.15Å
173Y95.7Very high90.9Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-67.9-43.3177.6-56.1-36.4000112.2V110 D111 V115 I128 P146 D148 R169 T170 S171 K175 K176 L177V110-Y173 HydrophobicContact CG1-CE2 4.47Å; V110-Y173 WeakPolarHBondContact CG1-OH 3.33Å; D111-Y173 WeakPolarHBondContact O-CE1 3.48Å; D111-Y173 VanDerWaalsContact O-CZ 3.31Å; D111-Y173 PolarHBondContact O-OH 2.87Å; V115-Y173 HydrophobicContact CG1-CD2 4.06Å; V115-Y173 HydrophobicContact CG1-CE1 4.49Å; V115-Y173 HydrophobicContact CG1-CE2 3.69Å; I128-Y173 HydrophobicContact CD1-CD1 3.57Å; I128-Y173 HydrophobicContact CD1-CE1 4.25Å; I128-Y173 HydrophobicContact CD1-CG 3.91Å; I128-Y173 HydrophobicContact CG1-CD1 4.17Å; P146-Y173 HydrophobicContact CB-CD2 4.07Å; P146-Y173 HydrophobicContact CB-CG 4.16Å; P146-Y173 WeakPolarHBondContact O-CD2 3.24Å; D148-Y173 HydrophobicContact CB-CE2 4.41Å; R169-Y173 HydrophobicContact CB-CE1 4.45Å; R169-Y173 HydrophobicContact CB-CE2 3.97Å; R169-Y173 WeakPolarHBondContact O-CD1 3.46Å; R169-Y173 VanDerWaalsContact O-CD2 3.3Å; R169-Y173 WeakPolarHBondContact O-CD2 3.44Å; R169-Y173 PolarHBondContact O-N 3.11Å; T170-Y173 PolarHBondContact O-N 3.32Å; S171-Y173 PolarHBondContact O-N 3.02Å; Y173-K175 VanDerWaalsContact C-N 3.3Å; Y173-K175 PolarHBondContact O-N 3.33Å; Y173-K176 PolarHBondContact O-N 3.03Å; Y173-L177 WeakPolarHBondContact O-CB 3.37Å; Y173-L177 PolarHBondContact O-N 3.47Å
174L93.9Very high89.9Confident23 Ų2350.9 Ų50.912%0.1227%0.267CS..Hα-helixtrans-60-42.7178.1-179.760.4000111T170 S171 K176 L177 A178 I192 T212T170-L174 PolarHBondContact O-N 2.8Å; T170-L174 VanDerWaalsContact O-N 3.09Å; S171-L174 PolarHBondContact O-N 3.37Å; L174-K176 PolarHBondContact O-N 3Å; L174-L177 PolarHBondContact O-N 2.84Å; L174-A178 WeakPolarHBondContact O-CB 3.27Å; L174-A178 PolarHBondContact O-N 2.8Å; L174-I192 HydrophobicContact CD1-CG2 4.2Å; L174-T212 HydrophobicContact CD2-CG2 3.94Å
175K93Very high88.4Confident136 Ų13652.4 Ų52.459%0.59128%0.28SS*.Hα-helixtrans-61-44.1175.4-71172.1-177.5173.20112.4S171 Y173 A178 S179S171-K175 WeakPolarHBondContact O-CG 3.27Å; S171-K175 PolarHBondContact O-N 2.99Å; Y173-K175 VanDerWaalsContact C-N 3.3Å; Y173-K175 PolarHBondContact O-N 3.33Å; K175-A178 PolarHBondContact O-N 2.83Å; K175-S179 PolarHBondContact O-N 3.43Å; K175-S179 VanDerWaalsContact O-N 3.09Å
176K92.6Very high86.6Confident83 Ų8357.3 Ų57.336%0.36130%0.298SS..Hα-helixtrans-64.3-43.9175.7-72.5175.5-179.2-175.90111.7K112 I128 G172 Y173 L174 A178 S179 E180K112-K176 PolarHBondContact O-NZ 2.84Å; I128-K176 HydrophobicContact CB-CB 4.32Å; I128-K176 HydrophobicContact CG1-CB 4.3Å; I128-K176 HydrophobicContact CG1-CD 4.13Å; I128-K176 HydrophobicContact CG2-CB 3.92Å; G172-K176 WeakPolarHBondContact O-CG 3.49Å; G172-K176 PolarHBondContact O-N 2.77Å; G172-K176 VanDerWaalsContact O-N 3.15Å; Y173-K176 PolarHBondContact O-N 3.03Å; L174-K176 PolarHBondContact O-N 3Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-A178 PolarHBondContact O-N 3.1Å; K176-S179 PolarHBondContact O-N 2.96Å; K176-S179 PolarHBondContact O-OG 3.24Å; K176-E180 WeakPolarHBondContact O-CG 3.43Å; K176-E180 PolarHBondContact O-N 3.38Å; K176-E180 VanDerWaalsContact O-N 3.11Å
177L91.1Very high84.6Confident0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-61.3-44.2176.5-178.967.5000111I128 Y132 Y143 Y173 L174 S179 E180 C181 I192I128-L177 HydrophobicContact CG2-CB 4.13Å; Y132-L177 HydrophobicContact CD2-CD1 4Å; Y143-L177 HydrophobicContact CE2-CD1 4.35Å; Y143-L177 HydrophobicContact CE2-CD2 3.86Å; Y173-L177 WeakPolarHBondContact O-CB 3.37Å; Y173-L177 PolarHBondContact O-N 3.47Å; L174-L177 PolarHBondContact O-N 2.84Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.37Å; L177-E180 WeakPolarHBondContact O-CB 3.27Å; L177-E180 PolarHBondContact O-N 3.06Å; L177-E180 VanDerWaalsContact O-N 3.11Å; L177-C181 PolarHBondContact O-N 3.43Å; L177-C181 PolarHBondContact O-SG 3.21Å; L177-C181 VanDerWaalsContact O-SG 3.33Å; L177-I192 HydrophobicContact CD2-CD1 4.08Å; L177-I192 HydrophobicContact CD2-CG2 4.43Å
178A86.8Confident82.5Confident16 Ų1661.1 Ų61.113%0.13233%0.329CS..Hα-helixtrans-59.2-41176.400000111.9L174 K175 K176 E180 C181 I182 L216L174-A178 WeakPolarHBondContact O-CB 3.27Å; L174-A178 PolarHBondContact O-N 2.8Å; K175-A178 PolarHBondContact O-N 2.83Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-A178 PolarHBondContact O-N 3.1Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 2.92Å; A178-C181 PolarHBondContact O-N 3.31Å; A178-I182 WeakPolarHBondContact O-CG1 3.35Å; A178-I182 PolarHBondContact O-N 2.82Å; A178-L216 HydrophobicContact CB-CD1 3.97Å
179S86.7Confident80.7Confident68 Ų6865.3 Ų65.348%0.47634%0.34SS..Hα-helixtrans-63.9-36.2174.559.90000113.6K175 K176 L177 C181 I182 S183K175-S179 PolarHBondContact O-N 3.43Å; K175-S179 VanDerWaalsContact O-N 3.09Å; K176-S179 PolarHBondContact O-N 2.96Å; K176-S179 PolarHBondContact O-OG 3.24Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.37Å; S179-C181 VanDerWaalsContact C-N 3.34Å; S179-I182 PolarHBondContact O-N 3.38Å; S179-S183 PolarHBondContact O-N 2.77Å; S179-S183 PolarHBondContact O-OG 2.96Å
180E83.7Confident79.2Confident66 Ų6665.5 Ų65.531%0.30834%0.341SS..Hα-helixtrans-70.7-27.6173.9-65-75.217800112.5Y132 K176 L177 A178 S183 H184Y132-E180 HydrophobicContact CD2-CB 4.28Å; Y132-E180 HydrophobicContact CG-CB 4.29Å; Y132-E180 PolarHBondContact OH-O 3.23Å; K176-E180 WeakPolarHBondContact O-CG 3.43Å; K176-E180 PolarHBondContact O-N 3.38Å; K176-E180 VanDerWaalsContact O-N 3.11Å; L177-E180 WeakPolarHBondContact O-CB 3.27Å; L177-E180 PolarHBondContact O-N 3.06Å; L177-E180 VanDerWaalsContact O-N 3.11Å; A178-E180 VanDerWaalsContact C-N 3.34Å; A178-E180 PolarHBondContact O-N 2.92Å; E180-S183 PolarHBondContact O-OG 3.41Å; E180-H184 PolarHBondContact O-CD2 3.16Å
181C80.4Confident78.6Confident13 Ų1365.6 Ų65.69%0.08834%0.342CS..Hα-helixtrans-73.7-40174-67.90000111.9L177 A178 S179 S183 H184L177-C181 PolarHBondContact O-N 3.43Å; L177-C181 PolarHBondContact O-SG 3.21Å; L177-C181 VanDerWaalsContact O-SG 3.33Å; A178-C181 PolarHBondContact O-N 3.31Å; S179-C181 VanDerWaalsContact C-N 3.34Å; C181-S183 VanDerWaalsContact C-N 3.34Å; C181-H184 CarbonylContact O-C 3.59Å; C181-H184 PolarHBondContact O-N 3.45Å
182I78.1Confident78.5Confident138 Ų13865.4 Ų65.471%0.70834%0.34SS*.Hα-helixtrans-65.9-37.3179.2-67.8165.1000111.2A178 S179 H184A178-I182 WeakPolarHBondContact O-CG1 3.35Å; A178-I182 PolarHBondContact O-N 2.82Å; S179-I182 PolarHBondContact O-N 3.38Å; I182-H184 PolarHBondContact O-N 3.16Å; I182-H184 VanDerWaalsContact O-N 3.15Å
183S77.8Confident78.5Confident72 Ų7264.3 Ų64.350%0.50333%0.328SS..THydrogen-bonded Turntrans-69.2-7.6178.960.20000114.1S179 E180 C181S179-S183 PolarHBondContact O-N 2.77Å; S179-S183 PolarHBondContact O-OG 2.96Å; E180-S183 PolarHBondContact O-OG 3.41Å; C181-S183 VanDerWaalsContact C-N 3.34Å
184H70.8Confident78.6Confident86 Ų8664.3 Ų64.340%0.39833%0.328SS..  trans-141.988.7-169.9-70-34.7000111.5Y132 E180 C181 I182 E186 L187Y132-H184 AromaticContact CE1-CD2 3.6Å; Y132-H184 AromaticContact CZ-CD2 3.73Å; Y132-H184 WeakPolarHBondContact OH-CB 3.19Å; Y132-H184 PolarHBondContact OH-CD2 3.19Å; E180-H184 PolarHBondContact O-CD2 3.16Å; C181-H184 CarbonylContact O-C 3.59Å; C181-H184 PolarHBondContact O-N 3.45Å; I182-H184 PolarHBondContact O-N 3.16Å; I182-H184 VanDerWaalsContact O-N 3.15Å; H184-E186 VanDerWaalsContact C-N 3.25Å; H184-E186 PolarHBondContact O-N 3.47Å; H184-L187 HydrophobicContact CB-CD1 4.24Å; H184-L187 PolarHBondContact O-N 2.85Å
185E63Low78.7Confident173 Ų17363.4 Ų63.481%0.80832%0.324SS*.G310 helixtrans-48.3-35.9-173.7-73.3-175.416200115.6L187 A188E185-L187 PolarHBondContact O-N 2.94Å; E185-L187 VanDerWaalsContact O-N 3.14Å; E185-A188 PolarHBondContact O-N 3.21Å
186E56.9Low78.9Confident142 Ų14257 Ų5766%0.66430%0.296SS*.G310 helixtrans-62-21.6178.4-68.9-155.6142.700113.6K136 H184K136-E186 IonicContact NZ-OE2 3.92Å; H184-E186 VanDerWaalsContact C-N 3.25Å; H184-E186 PolarHBondContact O-N 3.47Å
187L52.2Low79Confident2 Ų253.2 Ų53.21%0.0128%0.28CS..G310 helixtrans-103.9-11.9-173.8-76.1111.9000114.6Y132 K136 H184 E185 K189 R190Y132-L187 HydrophobicContact CD2-CD2 4.35Å; Y132-L187 HydrophobicContact CE1-CD1 4.25Å; Y132-L187 HydrophobicContact CE1-CD2 4.46Å; Y132-L187 HydrophobicContact CE2-CB 3.81Å; Y132-L187 HydrophobicContact CE2-CD1 4.3Å; Y132-L187 HydrophobicContact CE2-CD2 3.55Å; Y132-L187 HydrophobicContact CE2-CG 4.02Å; Y132-L187 WeakPolarHBondContact OH-CB 3.31Å; Y132-L187 WeakPolarHBondContact OH-CD1 3.22Å; Y132-L187 VanDerWaalsContact OH-CG 3.31Å; Y132-L187 WeakPolarHBondContact OH-CG 3.31Å; K136-L187 HydrophobicContact CB-CD1 4.43Å; K136-L187 HydrophobicContact CB-CD2 3.69Å; K136-L187 HydrophobicContact CD-CD1 3.5Å; K136-L187 HydrophobicContact CD-CD2 4.39Å; K136-L187 HydrophobicContact CD-CG 4.48Å; K136-L187 HydrophobicContact CG-CD1 3.87Å; K136-L187 HydrophobicContact CG-CD2 3.86Å; K136-L187 HydrophobicContact CG-CG 4.34Å; H184-L187 HydrophobicContact CB-CD1 4.24Å; H184-L187 PolarHBondContact O-N 2.85Å; E185-L187 PolarHBondContact O-N 2.94Å; E185-L187 VanDerWaalsContact O-N 3.14Å; L187-K189 PolarHBondContact O-N 3.04Å; L187-K189 VanDerWaalsContact O-N 3.11Å; L187-R190 PolarHBondContact O-N 3.36Å; L187-R190 VanDerWaalsContact O-N 3.16Å
188A52.6Low79.2Confident77 Ų7753.3 Ų53.364%0.63628%0.281SS*.THydrogen-bonded Turntrans-61.1-16.516800000112.7E185E185-A188 PolarHBondContact O-N 3.21Å
189K57.5Low79.3Confident173 Ų17352.6 Ų52.675%0.75228%0.275SS*.THydrogen-bonded Turntrans-87-4.9179-63.9-176.4-178.7176.50114.4L187L187-K189 PolarHBondContact O-N 3.04Å; L187-K189 VanDerWaalsContact O-N 3.11Å
190R65.3Low79.5Confident70 Ų7051.5 Ų51.526%0.26426%0.261SS..SBendtrans-101.5135.8-172.9-64.9-167.7177.7-171.4-4.5112.2S135 K136 S139 Y143 L187S135-R190 PolarHBondContact O-NH1 3.35Å; K136-R190 PolarHBondContact O-NH1 3.41Å; S139-R190 VanDerWaalsContact CA-NH1 3.27Å; S139-R190 PolarHBondContact OG-NH2 2.72Å; Y143-R190 HydrophobicContact CE1-CB 4.34Å; L187-R190 PolarHBondContact O-N 3.36Å; L187-R190 VanDerWaalsContact O-N 3.16Å
191S82.1Confident79.9Confident3 Ų350.6 Ų50.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-74.9130.9-174.4-70.70000111.7M1 V142 Y143 S218M1-S191 WeakPolarHBondContact CA-OG 3.37Å; V142-S191 WeakPolarHBondContact CA-O 3.46Å; V142-S191 WeakPolarHBondContact CG2-O 3.46Å; Y143-S191 VanDerWaalsContact CD1-O 3.31Å; Y143-S191 WeakPolarHBondContact CD1-O 3.38Å; Y143-S191 PolarHBondContact N-O 2.98Å; S191-S218 WeakPolarHBondContact CB-OG 3.41Å; S191-S218 PolarHBondContact OG-OG 3Å
192I92.6Very high80.6Confident8 Ų851.6 Ų51.64%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-104.6138.3175.5-60.9173000109.1Y143 L174 L177 C217 S218Y143-I192 HydrophobicContact CE1-CG1 3.94Å; Y143-I192 HydrophobicContact CE2-CG1 4.37Å; Y143-I192 CarbonylContact O-C 3.59Å; Y143-I192 WeakPolarHBondContact O-CA 3.2Å; Y143-I192 WeakPolarHBondContact OH-CG1 3.38Å; L174-I192 HydrophobicContact CD1-CG2 4.2Å; L177-I192 HydrophobicContact CD2-CD1 4.08Å; L177-I192 HydrophobicContact CD2-CG2 4.43Å; I192-C217 CarbonylContact O-C 3.59Å; I192-C217 WeakPolarHBondContact O-CA 3.49Å; I192-S218 PolarHBondContact O-N 3.13Å
193L95.9Very high81.5Confident1 Ų151.4 Ų51.41%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-95.4119.8161.7-53.8175.4000109.1V95 F97 V142 Y143 S145 S195 G219 V221 F268V95-L193 HydrophobicContact CG1-CD1 3.98Å; F97-L193 HydrophobicContact CE1-CD1 4.49Å; V142-L193 HydrophobicContact CG1-CD1 4.19Å; V142-L193 HydrophobicContact CG1-CD2 4.29Å; V142-L193 HydrophobicContact CG1-CG 4.21Å; V142-L193 HydrophobicContact CG2-CD1 4.38Å; V142-L193 HydrophobicContact CG2-CD2 3.54Å; V142-L193 HydrophobicContact CG2-CG 3.54Å; Y143-L193 PolarHBondContact O-N 3.42Å; S145-L193 PolarHBondContact N-O 3.43Å; S145-L193 PolarHBondContact OG-O 3.5Å; L193-S195 PolarHBondContact O-N 3.17Å; L193-G219 WeakPolarHBondContact CA-O 3.49Å; L193-V221 HydrophobicContact CB-CG2 3.57Å; L193-V221 HydrophobicContact CD1-CG2 3.47Å; L193-V221 VanDerWaalsContact CD1-CG2 3.47Å; L193-V221 HydrophobicContact CG-CG2 4.1Å; L193-F268 HydrophobicContact CD1-CD1 4.39Å; L193-F268 HydrophobicContact CD1-CD2 3.91Å; L193-F268 HydrophobicContact CD1-CE1 4.39Å; L193-F268 HydrophobicContact CD1-CE2 3.93Å; L193-F268 HydrophobicContact CD1-CG 4.15Å; L193-F268 HydrophobicContact CD1-CZ 4.17Å; L193-F268 HydrophobicContact CD2-CD2 4Å; L193-F268 HydrophobicContact CD2-CE2 3.64Å; L193-F268 HydrophobicContact CD2-CZ 4.37Å; L193-F268 HydrophobicContact CG-CE2 4.47Å
194A96.5Very high82.5Confident0 Ų048.3 Ų48.30%024%0.237CC..EExtended strand (participates in β ladder)trans-70.1125.1175.100000110.4T212 F214 C217 G219 V220 V221A194-T212 HydrophobicContact CB-CG2 3.68Å; A194-F214 HydrophobicContact CB-CE1 4.32Å; A194-C217 HydrophobicContact CB-CB 4.38Å; A194-G219 PolarHBondContact N-O 2.89Å; A194-V220 CarbonylContact O-C 3.54Å; A194-V220 WeakPolarHBondContact O-CA 3.43Å; A194-V220 WeakPolarHBondContact O-CG1 3.28Å; A194-V221 PolarHBondContact O-N 2.91Å
195S97.2Very high83.7Confident4 Ų444.3 Ų44.33%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-79.1122.9168.5-66.50000109.9Q144 S145 T147 T170 L193Q144-S195 WeakPolarHBondContact CG-OG 3.34Å; Q144-S195 PolarHBondContact NE2-OG 3.43Å; S145-S195 PolarHBondContact O-OG 3.2Å; S145-S195 PolarHBondContact OG-N 3.07Å; T147-S195 VanDerWaalsContact CB-CB 3.5Å; T170-S195 VanDerWaalsContact CG2-O 3.31Å; T170-S195 WeakPolarHBondContact CG2-O 3.48Å; L193-S195 PolarHBondContact O-N 3.17Å
196I97.4Very high85.4Confident2 Ų237.9 Ų37.91%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-95.6122.1170.4-56-57.1000106.7R205 V209 T212 F214 V220 V221 I222 V257I196-R205 PolarHBondContact O-NH1 3.47Å; I196-V209 HydrophobicContact CD1-CG2 4.15Å; I196-V209 HydrophobicContact CG1-CG2 4.27Å; I196-V209 HydrophobicContact CG2-CG2 3.83Å; I196-T212 HydrophobicContact CD1-CG2 4.45Å; I196-F214 HydrophobicContact CD1-CE1 4.34Å; I196-F214 HydrophobicContact CD1-CZ 4.13Å; I196-V220 HydrophobicContact CB-CG1 4.41Å; I196-V220 HydrophobicContact CD1-CG1 4.18Å; I196-V220 HydrophobicContact CG1-CG1 3.33Å; I196-V221 PolarHBondContact N-O 3.39Å; I196-I222 HydrophobicContact CB-CD1 3.79Å; I196-I222 HydrophobicContact CG1-CD1 4.41Å; I196-I222 HydrophobicContact CG2-CD1 4.18Å; I196-V257 HydrophobicContact CG2-CG1 4.41Å
197A95.2Very high87.3Confident4 Ų434.3 Ų34.33%0.03317%0.172CC..  trans-100.3-176.4178.300000110.7V167 T170 R205 S208V167-A197 HydrophobicContact CG2-CB 4.41Å; T170-A197 HydrophobicContact CG2-CB 4.21Å; A197-R205 VanDerWaalsContact O-CD 3.24Å; A197-R205 WeakPolarHBondContact O-CD 3.44Å; A197-S208 PolarHBondContact N-OG 2.97Å; A197-S208 VanDerWaalsContact N-OG 3.11Å; A197-S208 WeakPolarHBondContact O-CB 3.28Å
198G93.4Very high89.4Confident1 Ų134.2 Ų34.21%0.0117%0.172CC..  trans121.614177.300000115.6I163 Y200 D201I163-G198 WeakPolarHBondContact CG2-O 3.32Å; G198-Y200 PolarHBondContact O-N 3.36Å; G198-D201 PolarHBondContact O-N 2.94Å; G198-D201 VanDerWaalsContact O-N 3.11Å
199G89.9Confident91.6Very high1 Ų130.9 Ų30.91%0.0114%0.144CC..THydrogen-bonded Turntrans56.6-134.8175.900000111.7R205G199-R205 VanDerWaalsContact O-CZ 3.3Å; G199-R205 PolarHBondContact O-NE 2.95Å; G199-R205 PolarHBondContact O-NH2 3.45Å
200Y90.5Very high93.5Very high45 Ų4526.9 Ų26.918%0.17614%0.143CC..THydrogen-bonded Turntrans-93.6-0.9173.3-66.9-5.3000113.8F152 G198 L202 V225 L226 F249 T253F152-Y200 HydrophobicContact CE1-CD2 4.31Å; F152-Y200 HydrophobicContact CE1-CE2 4.47Å; F152-Y200 HydrophobicContact CE1-CG 4.48Å; F152-Y200 AromaticContact CE2-CD1 3.79Å; F152-Y200 HydrophobicContact CE2-CD1 3.79Å; F152-Y200 AromaticContact CE2-CE1 3.82Å; F152-Y200 HydrophobicContact CE2-CE1 3.82Å; F152-Y200 HydrophobicContact CE2-CG 4.2Å; F152-Y200 AromaticContact CZ-CD1 3.68Å; F152-Y200 HydrophobicContact CZ-CD1 3.68Å; F152-Y200 AromaticContact CZ-CD2 3.82Å; F152-Y200 HydrophobicContact CZ-CD2 3.82Å; F152-Y200 AromaticContact CZ-CE1 3.95Å; F152-Y200 HydrophobicContact CZ-CE1 3.95Å; F152-Y200 HydrophobicContact CZ-CE2 4.12Å; F152-Y200 AromaticContact CZ-CG 3.59Å; F152-Y200 HydrophobicContact CZ-CG 3.59Å; G198-Y200 PolarHBondContact O-N 3.36Å; Y200-L202 PolarHBondContact O-N 3.3Å; Y200-V225 HydrophobicContact CE1-CB 4.15Å; Y200-V225 HydrophobicContact CE1-CG1 3.65Å; Y200-V225 HydrophobicContact CE1-CG2 4.26Å; Y200-L226 PolarHBondContact OH-O 2.96Å; Y200-F249 HydrophobicContact CD1-CB 3.95Å; Y200-F249 HydrophobicContact CD1-CD1 4.41Å; Y200-F249 AromaticContact CD1-CD2 3.67Å; Y200-F249 HydrophobicContact CD1-CD2 3.67Å; Y200-F249 HydrophobicContact CD1-CE2 4.28Å; Y200-F249 AromaticContact CD1-CG 3.74Å; Y200-F249 HydrophobicContact CD1-CG 3.74Å; Y200-F249 HydrophobicContact CD2-CB 4.4Å; Y200-F249 HydrophobicContact CE1-CB 4.3Å; Y200-F249 HydrophobicContact CE1-CD1 4.41Å; Y200-F249 HydrophobicContact CE1-CD2 4.43Å; Y200-F249 HydrophobicContact CE1-CG 4.11Å; Y200-F249 HydrophobicContact CG-CB 4.03Å; Y200-F249 HydrophobicContact CG-CD2 4.16Å; Y200-F249 HydrophobicContact CG-CG 4.25Å; Y200-T253 PolarHBondContact O-OG1 2.48Å
201D92.9Very high94.9Very high47 Ų4727 Ų2725%0.25115%0.146SC..  trans-79.4120-176.7-175.1-76.2000111.5G198 Q203 L204 R205G198-D201 PolarHBondContact O-N 2.94Å; G198-D201 VanDerWaalsContact O-N 3.11Å; D201-Q203 WeakPolarHBondContact OD1-CA 3.38Å; D201-Q203 PolarHBondContact OD1-N 2.84Å; D201-L204 HydrophobicContact CB-CB 4.15Å; D201-L204 HydrophobicContact CB-CD1 4.12Å; D201-L204 HydrophobicContact CB-CG 4.33Å; D201-L204 WeakPolarHBondContact OD1-CB 3.29Å; D201-L204 WeakPolarHBondContact OD1-CG 3.25Å; D201-L204 PolarHBondContact OD1-N 3.38Å; D201-R205 WeakPolarHBondContact O-CB 3.38Å; D201-R205 WeakPolarHBondContact O-CG 3.34Å; D201-R205 PolarHBondContact O-N 2.93Å
202L95.3Very high95.5Very high35 Ų3527.6 Ų27.618%0.18315%0.15CC..Hα-helixtrans-62.7-43.8-178.5174.462.2000112.6Y200 R205 L206 T253 K256 V257Y200-L202 PolarHBondContact O-N 3.3Å; L202-R205 PolarHBondContact O-N 3.47Å; L202-L206 HydrophobicContact CD1-CD1 3.87Å; L202-L206 HydrophobicContact CD1-CD2 4.44Å; L202-L206 HydrophobicContact CD1-CG 3.89Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.37Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 2.86Å; L202-T253 HydrophobicContact CB-CG2 4.09Å; L202-T253 HydrophobicContact CD1-CG2 4.1Å; L202-K256 HydrophobicContact CD1-CB 3.72Å; L202-K256 HydrophobicContact CD1-CD 4.21Å; L202-K256 HydrophobicContact CD2-CD 3.59Å; L202-V257 HydrophobicContact CD1-CG2 4.11Å
203Q97.3Very high95.5Very high133 Ų13331.6 Ų31.662%0.62117%0.171SC*.Hα-helixtrans-67.8-41.1-174.8-64.9-60.6-3000111D201 L206 Q207D201-Q203 WeakPolarHBondContact OD1-CA 3.38Å; D201-Q203 PolarHBondContact OD1-N 2.84Å; Q203-L206 PolarHBondContact O-N 3.28Å; Q203-Q207 WeakPolarHBondContact O-CB 3.41Å; Q203-Q207 PolarHBondContact O-N 3.28Å
204L96.9Very high95.4Very high8 Ų833 Ų334%0.04218%0.177CC..Hα-helixtrans-70.2-34.3177.1-67.9176.9000112.2I163 R164 V167 D201 S208I163-L204 HydrophobicContact CB-CD1 3.77Å; I163-L204 HydrophobicContact CG2-CB 4.34Å; I163-L204 HydrophobicContact CG2-CD1 3.43Å; I163-L204 VanDerWaalsContact CG2-CD1 3.43Å; R164-L204 HydrophobicContact CB-CD1 4.34Å; R164-L204 HydrophobicContact CB-CD2 4.11Å; R164-L204 HydrophobicContact CG-CD2 4.26Å; V167-L204 HydrophobicContact CG2-CB 4.07Å; D201-L204 HydrophobicContact CB-CB 4.15Å; D201-L204 HydrophobicContact CB-CD1 4.12Å; D201-L204 HydrophobicContact CB-CG 4.33Å; D201-L204 WeakPolarHBondContact OD1-CB 3.29Å; D201-L204 WeakPolarHBondContact OD1-CG 3.25Å; D201-L204 PolarHBondContact OD1-N 3.38Å; L204-S208 PolarHBondContact O-N 2.68Å
205R96.9Very high94.9Very high2 Ų237.6 Ų37.61%0.00821%0.21CC..Hα-helixtrans-65.2-45.6170.8-72.4-91.1179-172.31.1111.7I196 A197 G199 D201 L202 Q207 S208 V209 D223 T253 V257I196-R205 PolarHBondContact O-NH1 3.47Å; A197-R205 VanDerWaalsContact O-CD 3.24Å; A197-R205 WeakPolarHBondContact O-CD 3.44Å; G199-R205 VanDerWaalsContact O-CZ 3.3Å; G199-R205 PolarHBondContact O-NE 2.95Å; G199-R205 PolarHBondContact O-NH2 3.45Å; D201-R205 WeakPolarHBondContact O-CB 3.38Å; D201-R205 WeakPolarHBondContact O-CG 3.34Å; D201-R205 PolarHBondContact O-N 2.93Å; L202-R205 PolarHBondContact O-N 3.47Å; R205-Q207 VanDerWaalsContact C-N 3.33Å; R205-Q207 PolarHBondContact O-N 3.42Å; R205-S208 WeakPolarHBondContact O-CB 3.04Å; R205-S208 PolarHBondContact O-N 3.35Å; R205-S208 VanDerWaalsContact O-N 3.15Å; R205-V209 WeakPolarHBondContact O-CG2 3.49Å; R205-V209 PolarHBondContact O-N 2.85Å; R205-D223 PolarHBondContact NH2-O 2.9Å; R205-T253 HydrophobicContact CG-CG2 4.47Å; R205-V257 HydrophobicContact CB-CG2 3.46Å; R205-V257 VanDerWaalsContact CB-CG2 3.46Å; R205-V257 HydrophobicContact CG-CG2 4.2Å
206L97.9Very high94.2Very high38 Ų3842 Ų4220%0.19923%0.232CC..Hα-helixtrans-64-38.3176.2-69.7177000111.8L202 Q203 V209 A210 H260L202-L206 HydrophobicContact CD1-CD1 3.87Å; L202-L206 HydrophobicContact CD1-CD2 4.44Å; L202-L206 HydrophobicContact CD1-CG 3.89Å; L202-L206 HydrophobicContact CG-CD1 3.98Å; L202-L206 HydrophobicContact CG-CG 4.37Å; L202-L206 WeakPolarHBondContact O-CB 3.34Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 2.86Å; Q203-L206 PolarHBondContact O-N 3.28Å; L206-V209 PolarHBondContact O-N 2.77Å; L206-A210 WeakPolarHBondContact O-CB 3.46Å; L206-A210 PolarHBondContact O-N 2.9Å; L206-H260 HydrophobicContact CD2-CB 4.29Å; L206-H260 WeakPolarHBondContact CD2-ND1 3.4Å
207Q97.6Very high93.9Very high66 Ų6642.4 Ų42.431%0.30824%0.235SC..Hα-helixtrans-58.8-46.9170.3-178.3-175.7-11.200110.9V167 Q203 R205 V209 A210 E211V167-Q207 HydrophobicContact CG1-CG 4.38Å; Q203-Q207 WeakPolarHBondContact O-CB 3.41Å; Q203-Q207 PolarHBondContact O-N 3.28Å; R205-Q207 VanDerWaalsContact C-N 3.33Å; R205-Q207 PolarHBondContact O-N 3.42Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 2.96Å; Q207-A210 PolarHBondContact O-N 3.44Å; Q207-E211 HydrophobicContact CG-CG 4.43Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.36Å; Q207-E211 PolarHBondContact NE2-OE1 3.11Å; Q207-E211 WeakPolarHBondContact O-CG 3.33Å; Q207-E211 PolarHBondContact O-N 2.89Å
208S97.4Very high93.8Very high1 Ų143 Ų431%0.00724%0.239CC..Hα-helixtrans-60.1-38.8177-172.20000112.2A197 L204 R205 T212A197-S208 PolarHBondContact N-OG 2.97Å; A197-S208 VanDerWaalsContact N-OG 3.11Å; A197-S208 WeakPolarHBondContact O-CB 3.28Å; L204-S208 PolarHBondContact O-N 2.68Å; R205-S208 WeakPolarHBondContact O-CB 3.04Å; R205-S208 PolarHBondContact O-N 3.35Å; R205-S208 VanDerWaalsContact O-N 3.15Å; S208-T212 PolarHBondContact O-N 2.81Å; S208-T212 PolarHBondContact O-OG1 3.27Å
209V97.7Very high93.9Very high7 Ų742.9 Ų42.94%0.04224%0.238CC..Hα-helixtrans-64.7-48.5174.3173.70000110.8I196 R205 L206 Q207 E211 T212 F214 V257 H260I196-V209 HydrophobicContact CD1-CG2 4.15Å; I196-V209 HydrophobicContact CG1-CG2 4.27Å; I196-V209 HydrophobicContact CG2-CG2 3.83Å; R205-V209 WeakPolarHBondContact O-CG2 3.49Å; R205-V209 PolarHBondContact O-N 2.85Å; L206-V209 PolarHBondContact O-N 2.77Å; Q207-V209 VanDerWaalsContact C-N 3.3Å; Q207-V209 PolarHBondContact O-N 2.96Å; V209-E211 VanDerWaalsContact C-N 3.3Å; V209-E211 PolarHBondContact O-N 3.48Å; V209-T212 PolarHBondContact O-N 3.46Å; V209-T212 VanDerWaalsContact O-N 3.13Å; V209-F214 HydrophobicContact CG1-CE2 3.91Å; V209-F214 HydrophobicContact CG1-CZ 4.02Å; V209-F214 WeakPolarHBondContact O-CE2 3.37Å; V209-V257 HydrophobicContact CG2-CG1 3.96Å; V209-H260 HydrophobicContact CG1-CB 3.83Å; V209-H260 WeakPolarHBondContact CG1-O 3.42Å
210A97.1Very high94.3Very high89 Ų8942.9 Ų42.974%0.73624%0.238SC*.Hα-helixtrans-64.5-31-178.100000113.5L206 Q207 T212L206-A210 WeakPolarHBondContact O-CB 3.46Å; L206-A210 PolarHBondContact O-N 2.9Å; Q207-A210 PolarHBondContact O-N 3.44Å; A210-T212 VanDerWaalsContact C-N 3.35Å
211E95Very high94.6Very high72 Ų7240.7 Ų40.734%0.33623%0.229SC..THydrogen-bonded Turntrans-81.6-11.2176.7-71.5-177.2-16200114.1S171 Q207 V209S171-E211 WeakPolarHBondContact CB-OE2 3.49Å; S171-E211 PolarHBondContact OG-OE2 3.4Å; Q207-E211 HydrophobicContact CG-CG 4.43Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.36Å; Q207-E211 PolarHBondContact NE2-OE1 3.11Å; Q207-E211 WeakPolarHBondContact O-CG 3.33Å; Q207-E211 PolarHBondContact O-N 2.89Å; V209-E211 VanDerWaalsContact C-N 3.3Å; V209-E211 PolarHBondContact O-N 3.48Å
212T95.4Very high94.8Very high15 Ų1538.5 Ų38.59%0.09222%0.218CC..  trans-86121.6-176.2-630000110.7L174 A194 I196 S208 V209 A210 F214L174-T212 HydrophobicContact CD2-CG2 3.94Å; A194-T212 HydrophobicContact CB-CG2 3.68Å; I196-T212 HydrophobicContact CD1-CG2 4.45Å; S208-T212 PolarHBondContact O-N 2.81Å; S208-T212 PolarHBondContact O-OG1 3.27Å; V209-T212 PolarHBondContact O-N 3.46Å; V209-T212 VanDerWaalsContact O-N 3.13Å; A210-T212 VanDerWaalsContact C-N 3.35Å; T212-F214 HydrophobicContact CG2-CD1 3.79Å; T212-F214 HydrophobicContact CG2-CD2 4.42Å; T212-F214 HydrophobicContact CG2-CE1 3.55Å; T212-F214 HydrophobicContact CG2-CE2 4.23Å; T212-F214 HydrophobicContact CG2-CG 4.22Å; T212-F214 HydrophobicContact CG2-CZ 3.8Å; T212-F214 WeakPolarHBondContact O-CD2 3.32Å; T212-F214 PolarHBondContact O-N 2.86Å
213D92.3Very high94.5Very high93 Ų9337.4 Ų37.450%0.49721%0.212SC..  trans-79.297.2167.9-176.40.6000110.3S215 C217D213-S215 VanDerWaalsContact CG-OG 3.25Å; D213-S215 PolarHBondContact O-N 2.7Å; D213-S215 VanDerWaalsContact OD1-CB 3.24Å; D213-S215 WeakPolarHBondContact OD1-CB 3.29Å; D213-S215 PolarHBondContact OD1-N 2.96Å; D213-S215 PolarHBondContact OD1-OG 2.82Å; D213-S215 PolarHBondContact OD2-OG 2.67Å; D213-C217 PolarHBondContact O-SG 3.43Å
214F92.6Very high93.7Very high30 Ų3031.1 Ų31.113%0.13218%0.183CC..G310 helixtrans-72.2-10.6179.9-68.2-68.1000114A194 I196 V209 T212 L216 C217 V220 P262 L265A194-F214 HydrophobicContact CB-CE1 4.32Å; I196-F214 HydrophobicContact CD1-CE1 4.34Å; I196-F214 HydrophobicContact CD1-CZ 4.13Å; V209-F214 HydrophobicContact CG1-CE2 3.91Å; V209-F214 HydrophobicContact CG1-CZ 4.02Å; V209-F214 WeakPolarHBondContact O-CE2 3.37Å; T212-F214 HydrophobicContact CG2-CD1 3.79Å; T212-F214 HydrophobicContact CG2-CD2 4.42Å; T212-F214 HydrophobicContact CG2-CE1 3.55Å; T212-F214 HydrophobicContact CG2-CE2 4.23Å; T212-F214 HydrophobicContact CG2-CG 4.22Å; T212-F214 HydrophobicContact CG2-CZ 3.8Å; T212-F214 WeakPolarHBondContact O-CD2 3.32Å; T212-F214 PolarHBondContact O-N 2.86Å; F214-L216 PolarHBondContact O-N 3.04Å; F214-C217 HydrophobicContact CD1-CB 4.48Å; F214-C217 PolarHBondContact O-N 3.5Å; F214-V220 HydrophobicContact CD1-CG2 4.12Å; F214-V220 HydrophobicContact CE1-CG2 3.56Å; F214-P262 HydrophobicContact CB-CG 3.99Å; F214-P262 HydrophobicContact CD2-CG 3.86Å; F214-P262 HydrophobicContact CG-CG 3.91Å; F214-L265 HydrophobicContact CB-CD1 4Å; F214-L265 HydrophobicContact CD1-CD1 3.65Å; F214-L265 HydrophobicContact CE1-CD1 4.47Å; F214-L265 HydrophobicContact CG-CD1 4.04Å
215S87.6Confident93Very high97 Ų9730.8 Ų30.868%0.67818%0.181SC*.G310 helixtrans-63.4-23.5-178.7700000113.3D213D213-S215 VanDerWaalsContact CG-OG 3.25Å; D213-S215 PolarHBondContact O-N 2.7Å; D213-S215 VanDerWaalsContact OD1-CB 3.24Å; D213-S215 WeakPolarHBondContact OD1-CB 3.29Å; D213-S215 PolarHBondContact OD1-N 2.96Å; D213-S215 PolarHBondContact OD1-OG 2.82Å; D213-S215 PolarHBondContact OD2-OG 2.67Å
216L82.3Confident91.7Very high95 Ų9531.3 Ų31.350%0.49718%0.184SC..G310 helixtrans-96.92.2177.8-58.7178.2000113.3A178 F214A178-L216 HydrophobicContact CB-CD1 3.97Å; F214-L216 PolarHBondContact O-N 3.04Å
217C91.1Very high90Very high12 Ų1230.6 Ų30.68%0.08118%0.179CC..EExtended strand (participates in β ladder)trans-111.1145.7-169.6-58.50000111.5I192 A194 D213 F214I192-C217 CarbonylContact O-C 3.59Å; I192-C217 WeakPolarHBondContact O-CA 3.49Å; A194-C217 HydrophobicContact CB-CB 4.38Å; D213-C217 PolarHBondContact O-SG 3.43Å; F214-C217 HydrophobicContact CD1-CB 4.48Å; F214-C217 PolarHBondContact O-N 3.5Å
218S92.5Very high88.1Confident15 Ų1529.2 Ų29.211%0.10517%0.174CC..EExtended strand (participates in β ladder)trans-110.79.5174.6-50.10000112.8S191 I192 P266S191-S218 WeakPolarHBondContact CB-OG 3.41Å; S191-S218 PolarHBondContact OG-OG 3Å; I192-S218 PolarHBondContact O-N 3.13Å; S218-P266 WeakPolarHBondContact O-CD 3.39Å; S218-P266 WeakPolarHBondContact O-CG 3.33Å
219G95.8Very high85.9Confident0 Ų030.2 Ų30.20%018%0.179CC..EExtended strand (participates in β ladder)trans170.7-179.6176.600000111.6L193 A194 P266L193-G219 WeakPolarHBondContact CA-O 3.49Å; A194-G219 PolarHBondContact N-O 2.89Å; G219-P266 WeakPolarHBondContact CA-O 3.42Å
220V97.5Very high83.3Confident0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-131.8141.6-177.4-175.50000110A194 I196 F214 I261 L265 P266 F268A194-V220 CarbonylContact O-C 3.54Å; A194-V220 WeakPolarHBondContact O-CA 3.43Å; A194-V220 WeakPolarHBondContact O-CG1 3.28Å; I196-V220 HydrophobicContact CB-CG1 4.41Å; I196-V220 HydrophobicContact CD1-CG1 4.18Å; I196-V220 HydrophobicContact CG1-CG1 3.33Å; F214-V220 HydrophobicContact CD1-CG2 4.12Å; F214-V220 HydrophobicContact CE1-CG2 3.56Å; V220-I261 HydrophobicContact CB-CD1 4.02Å; V220-I261 HydrophobicContact CB-CG2 4.43Å; V220-I261 HydrophobicContact CG1-CD1 3.73Å; V220-I261 HydrophobicContact CG2-CD1 4.15Å; V220-I261 HydrophobicContact CG2-CG1 4.45Å; V220-I261 HydrophobicContact CG2-CG2 3.64Å; V220-L265 HydrophobicContact CG2-CD1 4.24Å; V220-P266 PolarHBondContact N-O 3.18Å; V220-F268 WeakPolarHBondContact O-CB 3.14Å; V220-F268 PolarHBondContact O-N 3.01Å
221V97.7Very high80.6Confident0 Ų029.6 Ų29.60%017%0.167CC..EExtended strand (participates in β ladder)trans-118.7128.8175.2177.20000109.6F97 Q144 L193 A194 I196 D223 F268F97-V221 HydrophobicContact CD1-CG1 4.43Å; F97-V221 HydrophobicContact CD1-CG2 4.49Å; F97-V221 HydrophobicContact CE1-CG1 4.27Å; F97-V221 HydrophobicContact CE1-CG2 3.95Å; Q144-V221 HydrophobicContact CG-CB 4.33Å; Q144-V221 HydrophobicContact CG-CG1 4.4Å; Q144-V221 HydrophobicContact CG-CG2 4.27Å; L193-V221 HydrophobicContact CB-CG2 3.57Å; L193-V221 HydrophobicContact CD1-CG2 3.47Å; L193-V221 VanDerWaalsContact CD1-CG2 3.47Å; L193-V221 HydrophobicContact CG-CG2 4.1Å; A194-V221 PolarHBondContact O-N 2.91Å; I196-V221 PolarHBondContact N-O 3.39Å; V221-D223 HydrophobicContact CG1-CB 4.06Å; V221-F268 WeakPolarHBondContact CA-O 3.32Å; V221-F268 HydrophobicContact CB-CB 4.42Å; V221-F268 HydrophobicContact CG2-CB 3.79Å; V221-F268 HydrophobicContact CG2-CG 4.33Å
222I96.3Very high78Confident1 Ų130 Ų301%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-99116162.8-55-64.6000107.1I196 V225 F249 L254 V257 F258 F268 I269 T270I196-I222 HydrophobicContact CB-CD1 3.79Å; I196-I222 HydrophobicContact CG1-CD1 4.41Å; I196-I222 HydrophobicContact CG2-CD1 4.18Å; I222-V225 HydrophobicContact CG2-CG2 3.73Å; I222-F249 HydrophobicContact CG2-CE1 4.28Å; I222-F249 HydrophobicContact CG2-CZ 3.87Å; I222-L254 HydrophobicContact CG1-CD1 4.09Å; I222-L254 HydrophobicContact CG2-CD1 4.38Å; I222-V257 HydrophobicContact CD1-CG1 4.29Å; I222-F258 HydrophobicContact CD1-CE1 4.11Å; I222-F258 HydrophobicContact CG1-CE1 3.53Å; I222-F258 HydrophobicContact CG1-CZ 3.94Å; I222-F268 PolarHBondContact N-O 2.68Å; I222-I269 HydrophobicContact CB-CD1 4.28Å; I222-I269 HydrophobicContact CB-CG1 4.04Å; I222-I269 HydrophobicContact CG2-CD1 4.11Å; I222-I269 HydrophobicContact CG2-CG1 4.2Å; I222-I269 WeakPolarHBondContact O-CA 3.46Å; I222-T270 PolarHBondContact O-N 3.48Å; I222-T270 VanDerWaalsContact O-N 3.12Å
223D89.4Confident75.4Confident11 Ų1135.1 Ų35.16%0.05921%0.213CC..  trans-131.6173.4178-169.917.9000110N149 R205 V221 V225 T270 Q271N149-D223 PolarHBondContact ND2-OD2 3.4Å; R205-D223 PolarHBondContact NH2-O 2.9Å; V221-D223 HydrophobicContact CG1-CB 4.06Å; D223-V225 PolarHBondContact O-N 3.27Å; D223-T270 VanDerWaalsContact CB-OG1 3.28Å; D223-T270 WeakPolarHBondContact CB-OG1 3.27Å; D223-T270 PolarHBondContact OD1-OG1 3.2Å; D223-Q271 PolarHBondContact OD1-NE2 3.12Å
224G81.5Confident73Confident2 Ų236.1 Ų36.12%0.02122%0.223CC..  trans70.519.9-178.300000113.4N149 F152 L226N149-G224 WeakPolarHBondContact O-CA 3.39Å; F152-G224 WeakPolarHBondContact CD2-O 3.27Å; G224-L226 PolarHBondContact O-N 3.4Å
225V81.4Confident70.5Confident0 Ų041.4 Ų41.40%025%0.248CC..  trans-95.387.2173.9176.60000106.2Y200 I222 D223 L246 F249 I272Y200-V225 HydrophobicContact CE1-CB 4.15Å; Y200-V225 HydrophobicContact CE1-CG1 3.65Å; Y200-V225 HydrophobicContact CE1-CG2 4.26Å; I222-V225 HydrophobicContact CG2-CG2 3.73Å; D223-V225 PolarHBondContact O-N 3.27Å; V225-L246 HydrophobicContact CG1-CD1 3.5Å; V225-F249 HydrophobicContact CB-CE1 4.29Å; V225-F249 HydrophobicContact CG1-CD1 3.72Å; V225-F249 HydrophobicContact CG1-CE1 3.72Å; V225-F249 HydrophobicContact CG2-CD1 4.26Å; V225-F249 HydrophobicContact CG2-CE1 3.53Å; V225-F249 HydrophobicContact CG2-CE2 4.46Å; V225-F249 HydrophobicContact CG2-CZ 3.65Å; V225-I272 HydrophobicContact CG1-CD1 3.86Å
226L69Low68.6Low13 Ų1341.8 Ų41.87%0.06825%0.246CC..  trans-86.7121.6-174.9-67.6176.7000109.9L104 F152 Y200 G224 L229L104-L226 HydrophobicContact CD2-CD2 3.95Å; F152-L226 HydrophobicContact CB-CD1 4.08Å; Y200-L226 PolarHBondContact OH-O 2.96Å; G224-L226 PolarHBondContact O-N 3.4Å; L226-L229 HydrophobicContact CB-CD2 4.49Å
227R63.3Low66.5Low24 Ų2446.7 Ų46.79%0.09126%0.263CS..SBendtrans-68.5-33.4158.4-171172.7-173.8159.46.9110.5L229 Y239 L246 D277R227-L229 PolarHBondContact O-N 3.44Å; R227-Y239 PolarHBondContact O-OH 2.79Å; R227-L246 HydrophobicContact CB-CD2 4.04Å; R227-L246 HydrophobicContact CG-CD2 4.05Å; R227-D277 IonicContact CZ-OD2 2.8Å; R227-D277 IonicContact NH1-OD2 3.64Å; R227-D277 PolarHBondContact NH1-OD2 2.91Å
228D56.3Low64.1Low37 Ų3753 Ų5320%0.19830%0.296CS..SBendtrans-99.177.1-177.2-49.9-39.3000108.4L104 P230L104-D228 HydrophobicContact CD1-CB 4.13Å; D228-P230 WeakPolarHBondContact O-CD 3.46Å; D228-P230 VanDerWaalsContact O-N 3.14Å
229L51.6Low61.9Low22 Ų2255.5 Ų55.512%0.11530%0.304CS..  trans-59.1118.6168.5-60.9170000106.4F152 V156 L226 R227 V231F152-L229 HydrophobicContact CB-CD2 3.49Å; F152-L229 VanDerWaalsContact CB-CD2 3.49Å; F152-L229 HydrophobicContact CD1-CD2 3.43Å; F152-L229 VanDerWaalsContact CD1-CD2 3.43Å; F152-L229 HydrophobicContact CE1-CD2 4.34Å; F152-L229 HydrophobicContact CG-CD2 3.64Å; V156-L229 HydrophobicContact CB-CB 4.32Å; V156-L229 HydrophobicContact CB-CD1 3.71Å; V156-L229 HydrophobicContact CB-CG 4.5Å; V156-L229 HydrophobicContact CG1-CB 3.58Å; V156-L229 HydrophobicContact CG1-CD1 3.75Å; V156-L229 HydrophobicContact CG1-CG 4.23Å; L226-L229 HydrophobicContact CB-CD2 4.49Å; R227-L229 PolarHBondContact O-N 3.44Å; L229-V231 VanDerWaalsContact C-N 3.29Å; L229-V231 PolarHBondContact O-N 3.04Å
230P44.5Very low59.3Low42 Ų4263.3 Ų63.327%0.27334%0.344SS..  trans-65.395.1177.525.9-34.9000108.8F152 L153 D228F152-P230 WeakPolarHBondContact O-CD 3.45Å; L153-P230 HydrophobicContact CD1-CG 3.81Å; L153-P230 WeakPolarHBondContact O-CG 3.47Å; D228-P230 WeakPolarHBondContact O-CD 3.46Å; D228-P230 VanDerWaalsContact O-N 3.14Å
231V39.5Very low56.9Low41 Ų4168.2 Ų68.225%0.24837%0.37CS..  trans-71.8127.5159.2-166.90000104.9V156 L229 E235V156-V231 HydrophobicContact CG1-CG2 4.24Å; L229-V231 VanDerWaalsContact C-N 3.29Å; L229-V231 PolarHBondContact O-N 3.04Å; V231-E235 HydrophobicContact CG1-CB 3.43Å; V231-E235 VanDerWaalsContact CG1-CB 3.43Å
232S41.3Very low54.8Low79 Ų7971 Ų7155%0.55238%0.383SS*.  trans-42.4149.7163.472.20000108.9V234 E235S232-V234 PolarHBondContact O-N 3.28Å; S232-E235 PolarHBondContact O-N 3.17Å
233S41Very low53.3Low123 Ų12374.2 Ų74.286%0.8640%0.401SS*.THydrogen-bonded Turntrans-54.95.1-174.646.10000116.2
234V41.8Very low52.5Low115 Ų11580.1 Ų80.170%0.69743%0.425SS*.THydrogen-bonded Turntrans-102.1-20.8-172-167.80000113.6S232S232-V234 PolarHBondContact O-N 3.28Å
235E39.8Very low52.6Low140 Ų14081.3 Ų81.365%0.65444%0.438SS*.  trans-128.838.7-168.1-72.2-175.6168.100116.5V231 S232 K237V231-E235 HydrophobicContact CG1-CB 3.43Å; V231-E235 VanDerWaalsContact CG1-CB 3.43Å; S232-E235 PolarHBondContact O-N 3.17Å; E235-K237 PolarHBondContact O-N 2.76Å
236V46.4Very low53Low106 Ų10681.6 Ų81.664%0.64244%0.439SS*.G310 helixtrans-66.6-3175.2-176.70000113.6N238V236-N238 PolarHBondContact O-N 3.35Å
237K39.9Very low54Low198 Ų19884.4 Ų84.486%0.86145%0.454SS*.G310 helixtrans-79.7-10.5-165-73.2-173.6175.8179.80116.5E235E235-K237 PolarHBondContact O-N 2.76Å
238N39.1Very low55.4Low145 Ų14589 Ų8978%0.77548%0.477SS*.G310 helixtrans-124.833.8-174.5-71.8-20.5000115V236 I240V236-N238 PolarHBondContact O-N 3.35Å; N238-I240 PolarHBondContact O-N 2.99Å
239Y46.2Very low57.2Low66 Ų6687.4 Ų87.426%0.25947%0.468SS..THydrogen-bonded Turntrans-68.13.6-170.9-151.6-94.7000116.6R227 E242 L413R227-Y239 PolarHBondContact O-OH 2.79Å; Y239-E242 WeakPolarHBondContact CE2-OE2 3.41Å; Y239-L413 HydrophobicContact CD1-CD1 4.33Å; Y239-L413 HydrophobicContact CE1-CD1 3.3Å; Y239-L413 VanDerWaalsContact OH-CD1 3.23Å; Y239-L413 WeakPolarHBondContact OH-CD1 3.48Å
240I41.7Very low59.2Low164 Ų16486.3 Ų86.384%0.84146%0.462SS*.THydrogen-bonded Turntrans-79.1-23.8-167.4-59.1176000112.9N238N238-I240 PolarHBondContact O-N 2.99Å
241D47.8Very low61.6Low104 Ų10486.4 Ų86.456%0.55646%0.462SS*.SBendtrans-99.9-10.8-172.5-131.3-2.8000114.9N243 K244D241-N243 VanDerWaalsContact C-N 3.33Å; D241-N243 PolarHBondContact O-N 3.19Å; D241-K244 PolarHBondContact O-N 3.28Å; D241-K244 WeakPolarHBondContact OD1-CE 3.21Å; D241-K244 IonicContact OD1-NZ 2.81Å; D241-K244 PolarHBondContact OD1-NZ 3.43Å; D241-K244 IonicContact OD2-NZ 3.82Å
242E52.8Low64.3Low58 Ų5887 Ų8727%0.27147%0.466SS..THydrogen-bonded Turntrans-72.4-20-170.5-66.8-174173.600114.5Y239 K244 G245Y239-E242 WeakPolarHBondContact CE2-OE2 3.41Å; E242-K244 PolarHBondContact O-N 3.42Å; E242-K244 VanDerWaalsContact O-N 3.13Å; E242-G245 PolarHBondContact O-N 3.04Å
243N65.1Low66.9Low69 Ų6983.7 Ų83.737%0.36944%0.442SS..Hα-helixtrans-65.1-17.7178.3-75.4-52.2000113.1D241 L247D241-N243 VanDerWaalsContact C-N 3.33Å; D241-N243 PolarHBondContact O-N 3.19Å; N243-L247 WeakPolarHBondContact O-CB 3.31Å; N243-L247 PolarHBondContact O-N 3.35Å
244K72.7Confident69.5Low134 Ų13477.9 Ų77.958%0.58340%0.401SS*.Hα-helixtrans-63.9-42.7179.2-73.5177.8178.91570112.3D241 E242 L247 E248D241-K244 PolarHBondContact O-N 3.28Å; D241-K244 WeakPolarHBondContact OD1-CE 3.21Å; D241-K244 IonicContact OD1-NZ 2.81Å; D241-K244 PolarHBondContact OD1-NZ 3.43Å; D241-K244 IonicContact OD2-NZ 3.82Å; E242-K244 PolarHBondContact O-N 3.42Å; E242-K244 VanDerWaalsContact O-N 3.13Å; K244-L247 PolarHBondContact O-N 2.91Å; K244-E248 VanDerWaalsContact O-CB 3.32Å; K244-E248 WeakPolarHBondContact O-CB 3.5Å; K244-E248 PolarHBondContact O-N 3.12Å
245G84.3Confident72.1Confident27 Ų2772.5 Ų72.528%0.27837%0.369SS..Hα-helixtrans-66-45.2-177.500000112.5E242 F249E242-G245 PolarHBondContact O-N 3.04Å; G245-F249 VanDerWaalsContact O-CB 3.3Å; G245-F249 WeakPolarHBondContact O-CB 3.49Å; G245-F249 PolarHBondContact O-N 2.73Å
246L88.5Confident74.8Confident7 Ų770.8 Ų70.84%0.03736%0.359CS..Hα-helixtrans-65.8-42.9175.3178.360.1000111.4V225 R227 F249 L250 I272V225-L246 HydrophobicContact CG1-CD1 3.5Å; R227-L246 HydrophobicContact CB-CD2 4.04Å; R227-L246 HydrophobicContact CG-CD2 4.05Å; L246-F249 WeakPolarHBondContact O-CB 3.38Å; L246-F249 PolarHBondContact O-N 3.47Å; L246-L250 HydrophobicContact CD1-CD1 4Å; L246-L250 HydrophobicContact CD1-CD2 4.37Å; L246-L250 HydrophobicContact CD1-CG 3.9Å; L246-L250 HydrophobicContact CG-CD1 3.99Å; L246-L250 HydrophobicContact CG-CG 4.28Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 2.82Å; L246-I272 HydrophobicContact CD1-CD1 3.81Å; L246-I272 HydrophobicContact CD2-CD1 4.47Å
247L90.8Very high77.2Confident71 Ų7165.8 Ų65.837%0.37233%0.329SS..Hα-helixtrans-61-47.6178.1179.162.6000111.5N243 K244 F249 L250 T251 Y276 L280N243-L247 WeakPolarHBondContact O-CB 3.31Å; N243-L247 PolarHBondContact O-N 3.35Å; K244-L247 PolarHBondContact O-N 2.91Å; L247-F249 VanDerWaalsContact C-N 3.33Å; L247-L250 PolarHBondContact O-N 3.44Å; L247-T251 HydrophobicContact CD1-CG2 3.85Å; L247-T251 WeakPolarHBondContact O-CB 3.45Å; L247-T251 WeakPolarHBondContact O-CG2 3.5Å; L247-T251 PolarHBondContact O-N 2.81Å; L247-T251 PolarHBondContact O-OG1 3.15Å; L247-Y276 HydrophobicContact CD1-CE1 4.4Å; L247-L280 HydrophobicContact CD1-CD1 3.45Å; L247-L280 VanDerWaalsContact CD1-CD1 3.45Å
248E92.7Very high79.9Confident122 Ų12256.7 Ų56.757%0.5729%0.29SS*.Hα-helixtrans-61-43.5175.2-176.1178.6176.800110.9K244 L250 T251 T252 T253K244-E248 VanDerWaalsContact O-CB 3.32Å; K244-E248 WeakPolarHBondContact O-CB 3.5Å; K244-E248 PolarHBondContact O-N 3.12Å; E248-L250 PolarHBondContact O-N 2.72Å; E248-T251 PolarHBondContact O-N 2.96Å; E248-T252 WeakPolarHBondContact O-CA 3.28Å; E248-T252 VanDerWaalsContact O-CB 3.26Å; E248-T252 WeakPolarHBondContact O-CB 3.32Å; E248-T252 PolarHBondContact O-N 2.81Å; E248-T253 PolarHBondContact O-N 3.19Å
249F93.7Very high82.6Confident2 Ų253 Ų531%0.00928%0.279CS..Iπ-helixtrans-57.7-51.1175.4176.6-98.4000111.5Y200 I222 V225 G245 L246 L247 T251 T253 L254Y200-F249 HydrophobicContact CD1-CB 3.95Å; Y200-F249 HydrophobicContact CD1-CD1 4.41Å; Y200-F249 AromaticContact CD1-CD2 3.67Å; Y200-F249 HydrophobicContact CD1-CD2 3.67Å; Y200-F249 HydrophobicContact CD1-CE2 4.28Å; Y200-F249 AromaticContact CD1-CG 3.74Å; Y200-F249 HydrophobicContact CD1-CG 3.74Å; Y200-F249 HydrophobicContact CD2-CB 4.4Å; Y200-F249 HydrophobicContact CE1-CB 4.3Å; Y200-F249 HydrophobicContact CE1-CD1 4.41Å; Y200-F249 HydrophobicContact CE1-CD2 4.43Å; Y200-F249 HydrophobicContact CE1-CG 4.11Å; Y200-F249 HydrophobicContact CG-CB 4.03Å; Y200-F249 HydrophobicContact CG-CD2 4.16Å; Y200-F249 HydrophobicContact CG-CG 4.25Å; I222-F249 HydrophobicContact CG2-CE1 4.28Å; I222-F249 HydrophobicContact CG2-CZ 3.87Å; V225-F249 HydrophobicContact CB-CE1 4.29Å; V225-F249 HydrophobicContact CG1-CD1 3.72Å; V225-F249 HydrophobicContact CG1-CE1 3.72Å; V225-F249 HydrophobicContact CG2-CD1 4.26Å; V225-F249 HydrophobicContact CG2-CE1 3.53Å; V225-F249 HydrophobicContact CG2-CE2 4.46Å; V225-F249 HydrophobicContact CG2-CZ 3.65Å; G245-F249 VanDerWaalsContact O-CB 3.3Å; G245-F249 WeakPolarHBondContact O-CB 3.49Å; G245-F249 PolarHBondContact O-N 2.73Å; L246-F249 WeakPolarHBondContact O-CB 3.38Å; L246-F249 PolarHBondContact O-N 3.47Å; L247-F249 VanDerWaalsContact C-N 3.33Å; F249-T251 PolarHBondContact O-N 3.02Å; F249-T253 HydrophobicContact CD2-CG2 3.7Å; F249-T253 HydrophobicContact CE2-CG2 3.75Å; F249-T253 PolarHBondContact O-N 3.37Å; F249-T253 VanDerWaalsContact O-N 3.17Å; F249-L254 HydrophobicContact CE1-CB 4.33Å; F249-L254 HydrophobicContact CE1-CD1 4.08Å; F249-L254 HydrophobicContact CZ-CD1 4.06Å; F249-L254 VanDerWaalsContact O-CB 3.29Å; F249-L254 WeakPolarHBondContact O-CB 3.45Å; F249-L254 PolarHBondContact O-N 2.74Å
250L94.7Very high85Confident0 Ų055.4 Ų55.40%029%0.292CS..Iπ-helixtrans-67.3-34.9-177.5-68.5178.4000113L246 L247 E248 L254 I269 I272 D277 L280 A281 S284L246-L250 HydrophobicContact CD1-CD1 4Å; L246-L250 HydrophobicContact CD1-CD2 4.37Å; L246-L250 HydrophobicContact CD1-CG 3.9Å; L246-L250 HydrophobicContact CG-CD1 3.99Å; L246-L250 HydrophobicContact CG-CG 4.28Å; L246-L250 WeakPolarHBondContact O-CB 3.46Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 3.44Å; E248-L250 PolarHBondContact O-N 2.72Å; L250-L254 HydrophobicContact CD2-CD2 3.83Å; L250-I269 HydrophobicContact CD2-CD1 4.47Å; L250-I272 HydrophobicContact CD2-CD1 4.38Å; L250-D277 HydrophobicContact CD1-CB 3.8Å; L250-L280 HydrophobicContact CB-CB 4.29Å; L250-L280 HydrophobicContact CD1-CB 4.36Å; L250-L280 HydrophobicContact CD1-CD1 4.49Å; L250-A281 HydrophobicContact CD2-CB 4.04Å; L250-S284 PolarHBondContact O-OG 2.67Å
251T94.3Very high87.6Confident44 Ų4447.8 Ų47.827%0.2725%0.254SS..Iπ-helixtrans-95-23-173.658.10000114.3L247 E248 F249 P255 L280L247-T251 HydrophobicContact CD1-CG2 3.85Å; L247-T251 WeakPolarHBondContact O-CB 3.45Å; L247-T251 WeakPolarHBondContact O-CG2 3.5Å; L247-T251 PolarHBondContact O-N 2.81Å; L247-T251 PolarHBondContact O-OG1 3.15Å; E248-T251 PolarHBondContact O-N 2.96Å; F249-T251 PolarHBondContact O-N 3.02Å; T251-P255 WeakPolarHBondContact O-CG 3.26Å; T251-L280 HydrophobicContact CG2-CD1 4.15Å; T251-L280 HydrophobicContact CG2-CD2 4.19Å
252T95.2Very high89.8Confident54 Ų5444.4 Ų44.433%0.33124%0.237SC..Iπ-helixtrans-122.3-51.3-174.3-59.40000112.5E248 K256E248-T252 WeakPolarHBondContact O-CA 3.28Å; E248-T252 VanDerWaalsContact O-CB 3.26Å; E248-T252 WeakPolarHBondContact O-CB 3.32Å; E248-T252 PolarHBondContact O-N 2.81Å; T252-K256 WeakPolarHBondContact O-CD 3.42Å; T252-K256 WeakPolarHBondContact O-CG 3.34Å
253T95.7Very high91.8Very high9 Ų945.9 Ų45.96%0.05525%0.252CS..Iπ-helixtrans-74.8-52.1-175.7-62.20000111.6Y200 L202 R205 E248 F249 K256 V257Y200-T253 PolarHBondContact O-OG1 2.48Å; L202-T253 HydrophobicContact CB-CG2 4.09Å; L202-T253 HydrophobicContact CD1-CG2 4.1Å; R205-T253 HydrophobicContact CG-CG2 4.47Å; E248-T253 PolarHBondContact O-N 3.19Å; F249-T253 HydrophobicContact CD2-CG2 3.7Å; F249-T253 HydrophobicContact CE2-CG2 3.75Å; F249-T253 PolarHBondContact O-N 3.37Å; F249-T253 VanDerWaalsContact O-N 3.17Å; T253-K256 PolarHBondContact O-N 3.46Å; T253-V257 HydrophobicContact CG2-CG2 4.09Å; T253-V257 VanDerWaalsContact O-CG2 3.31Å; T253-V257 WeakPolarHBondContact O-CG2 3.44Å; T253-V257 PolarHBondContact O-N 2.86Å
254L96.4Very high93.1Very high0 Ų048.2 Ų48.20%026%0.26CS..Hα-helixtrans-55.9-50-176.2-169.866000114I222 F249 L250 K256 V257 F258 I269 A281I222-L254 HydrophobicContact CG1-CD1 4.09Å; I222-L254 HydrophobicContact CG2-CD1 4.38Å; F249-L254 HydrophobicContact CE1-CB 4.33Å; F249-L254 HydrophobicContact CE1-CD1 4.08Å; F249-L254 HydrophobicContact CZ-CD1 4.06Å; F249-L254 VanDerWaalsContact O-CB 3.29Å; F249-L254 WeakPolarHBondContact O-CB 3.45Å; F249-L254 PolarHBondContact O-N 2.74Å; L250-L254 HydrophobicContact CD2-CD2 3.83Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.98Å; L254-V257 PolarHBondContact O-N 3.09Å; L254-F258 HydrophobicContact CD1-CD1 4.17Å; L254-F258 HydrophobicContact CD1-CD2 4.21Å; L254-F258 HydrophobicContact CD1-CE1 3.75Å; L254-F258 HydrophobicContact CD1-CE2 3.71Å; L254-F258 HydrophobicContact CD1-CG 4.43Å; L254-F258 HydrophobicContact CD1-CZ 3.49Å; L254-F258 VanDerWaalsContact CD1-CZ 3.49Å; L254-F258 HydrophobicContact CD2-CE2 3.98Å; L254-F258 HydrophobicContact CD2-CZ 4.42Å; L254-F258 HydrophobicContact CG-CD2 3.96Å; L254-F258 HydrophobicContact CG-CE2 3.68Å; L254-F258 HydrophobicContact CG-CG 4.47Å; L254-F258 HydrophobicContact CG-CZ 4.03Å; L254-F258 WeakPolarHBondContact O-CB 3.18Å; L254-F258 WeakPolarHBondContact O-CG 3.5Å; L254-F258 PolarHBondContact O-N 2.61Å; L254-I269 HydrophobicContact CD1-CD1 4.39Å; L254-I269 HydrophobicContact CD2-CD1 4.1Å; L254-A281 HydrophobicContact CD2-CB 4.12Å
255P96Very high94.2Very high3 Ų342 Ų422%0.01923%0.234CC..Hα-helixtrans-62.6-38.3179.822.2-31.7000112.1W13 T251 F258 A259W13-P255 HydrophobicContact CD2-CB 3.69Å; W13-P255 HydrophobicContact CE3-CB 3.85Å; W13-P255 HydrophobicContact CG-CB 4.11Å; W13-P255 HydrophobicContact CZ2-CB 4.39Å; W13-P255 HydrophobicContact CZ3-CB 4.26Å; T251-P255 WeakPolarHBondContact O-CG 3.26Å; P255-F258 PolarHBondContact O-N 3.26Å; P255-A259 WeakPolarHBondContact O-CB 3.44Å; P255-A259 PolarHBondContact O-N 2.83Å
256K96.9Very high94.8Very high103 Ų10340.9 Ų40.945%0.44822%0.221SC..Hα-helixtrans-65.9-39.4176.2-67.9177-175.91740112.2L202 T252 T253 L254 H260L202-K256 HydrophobicContact CD1-CB 3.72Å; L202-K256 HydrophobicContact CD1-CD 4.21Å; L202-K256 HydrophobicContact CD2-CD 3.59Å; T252-K256 WeakPolarHBondContact O-CD 3.42Å; T252-K256 WeakPolarHBondContact O-CG 3.34Å; T253-K256 PolarHBondContact O-N 3.46Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.98Å; K256-H260 PolarHBondContact O-ND1 2.76Å
257V97.3Very high95.2Very high1 Ų141 Ų411%0.00622%0.221CC..Hα-helixtrans-63.9-46.8174172.20000110.3I196 L202 R205 V209 I222 T253 L254 A259 H260I196-V257 HydrophobicContact CG2-CG1 4.41Å; L202-V257 HydrophobicContact CD1-CG2 4.11Å; R205-V257 HydrophobicContact CB-CG2 3.46Å; R205-V257 VanDerWaalsContact CB-CG2 3.46Å; R205-V257 HydrophobicContact CG-CG2 4.2Å; V209-V257 HydrophobicContact CG2-CG1 3.96Å; I222-V257 HydrophobicContact CD1-CG1 4.29Å; T253-V257 HydrophobicContact CG2-CG2 4.09Å; T253-V257 VanDerWaalsContact O-CG2 3.31Å; T253-V257 WeakPolarHBondContact O-CG2 3.44Å; T253-V257 PolarHBondContact O-N 2.86Å; L254-V257 PolarHBondContact O-N 3.09Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 2.77Å; V257-H260 PolarHBondContact O-N 2.91Å; V257-H260 VanDerWaalsContact O-N 3.09Å
258F96.9Very high95.5Very high7 Ų737.8 Ų37.83%0.03120%0.204CC..Hα-helixtrans-67.1-28.8-178.7-74.9-8.7000114.4I222 L254 P255 H260 I261 R267 S284 C286I222-F258 HydrophobicContact CD1-CE1 4.11Å; I222-F258 HydrophobicContact CG1-CE1 3.53Å; I222-F258 HydrophobicContact CG1-CZ 3.94Å; L254-F258 HydrophobicContact CD1-CD1 4.17Å; L254-F258 HydrophobicContact CD1-CD2 4.21Å; L254-F258 HydrophobicContact CD1-CE1 3.75Å; L254-F258 HydrophobicContact CD1-CE2 3.71Å; L254-F258 HydrophobicContact CD1-CG 4.43Å; L254-F258 HydrophobicContact CD1-CZ 3.49Å; L254-F258 VanDerWaalsContact CD1-CZ 3.49Å; L254-F258 HydrophobicContact CD2-CE2 3.98Å; L254-F258 HydrophobicContact CD2-CZ 4.42Å; L254-F258 HydrophobicContact CG-CD2 3.96Å; L254-F258 HydrophobicContact CG-CE2 3.68Å; L254-F258 HydrophobicContact CG-CG 4.47Å; L254-F258 HydrophobicContact CG-CZ 4.03Å; L254-F258 WeakPolarHBondContact O-CB 3.18Å; L254-F258 WeakPolarHBondContact O-CG 3.5Å; L254-F258 PolarHBondContact O-N 2.61Å; P255-F258 PolarHBondContact O-N 3.26Å; F258-H260 PolarHBondContact O-N 2.84Å; F258-I261 HydrophobicContact CD1-CD1 3.49Å; F258-I261 VanDerWaalsContact CD1-CD1 3.49Å; F258-I261 HydrophobicContact CE1-CD1 3.92Å; F258-I261 PolarHBondContact O-N 3.32Å; F258-R267 HydrophobicContact CD1-CG 4.19Å; F258-R267 HydrophobicContact CE1-CB 3.95Å; F258-R267 HydrophobicContact CE1-CG 4.07Å; F258-R267 HydrophobicContact CE2-CB 4.13Å; F258-R267 VanDerWaalsContact CG-CD 3.45Å; F258-R267 HydrophobicContact CG-CG 4.44Å; F258-R267 HydrophobicContact CZ-CB 3.74Å; F258-R267 HydrophobicContact CZ-CG 4.29Å; F258-S284 WeakPolarHBondContact CD2-O 3.34Å; F258-C286 HydrophobicContact CE2-CB 3.79Å; F258-C286 HydrophobicContact CZ-CB 4.4Å
259A95.1Very high95.7Very high67 Ų6732 Ų3255%0.55418%0.177SC*.Hα-helixtrans-62.6-23.1171.800000113.3P255 V257P255-A259 WeakPolarHBondContact O-CB 3.44Å; P255-A259 PolarHBondContact O-N 2.83Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 2.77Å
260H96.4Very high95.8Very high117 Ų11732.1 Ų32.154%0.54218%0.178SC..THydrogen-bonded Turntrans-96.6-1.9178.1-65.879.2000113.4L206 V209 K256 V257 F258L206-H260 HydrophobicContact CD2-CB 4.29Å; L206-H260 WeakPolarHBondContact CD2-ND1 3.4Å; V209-H260 HydrophobicContact CG1-CB 3.83Å; V209-H260 WeakPolarHBondContact CG1-O 3.42Å; K256-H260 PolarHBondContact O-ND1 2.76Å; V257-H260 PolarHBondContact O-N 2.91Å; V257-H260 VanDerWaalsContact O-N 3.09Å; F258-H260 PolarHBondContact O-N 2.84Å
261I96.1Very high95.5Very high5 Ų533 Ų333%0.02618%0.182CC..SBendtrans-86.8134.4175.2-65.3174.5000109.2V220 F258 L265 R267V220-I261 HydrophobicContact CB-CD1 4.02Å; V220-I261 HydrophobicContact CB-CG2 4.43Å; V220-I261 HydrophobicContact CG1-CD1 3.73Å; V220-I261 HydrophobicContact CG2-CD1 4.15Å; V220-I261 HydrophobicContact CG2-CG1 4.45Å; V220-I261 HydrophobicContact CG2-CG2 3.64Å; F258-I261 HydrophobicContact CD1-CD1 3.49Å; F258-I261 VanDerWaalsContact CD1-CD1 3.49Å; F258-I261 HydrophobicContact CE1-CD1 3.92Å; F258-I261 PolarHBondContact O-N 3.32Å; I261-L265 HydrophobicContact CG2-CB 4.2Å; I261-R267 HydrophobicContact CD1-CG 4.2Å; I261-R267 HydrophobicContact CG2-CG 4.47Å
262P95Very high95.5Very high32 Ų3231.1 Ų31.121%0.20817%0.17CC..  trans-49.5130.1176.5-28.633.9000112.7F214 H264 L265F214-P262 HydrophobicContact CB-CG 3.99Å; F214-P262 HydrophobicContact CD2-CG 3.86Å; F214-P262 HydrophobicContact CG-CG 3.91Å; P262-H264 VanDerWaalsContact CB-CE1 3.48Å; P262-H264 WeakPolarHBondContact CB-CE1 2.96Å; P262-H264 PolarHBondContact O-N 3.24Å; P262-H264 VanDerWaalsContact O-N 3.08Å; P262-L265 HydrophobicContact CB-CD1 4.05Å; P262-L265 HydrophobicContact CB-CG 4.17Å; P262-L265 HydrophobicContact CG-CD1 4.05Å; P262-L265 WeakPolarHBondContact O-CB 3.38Å; P262-L265 PolarHBondContact O-N 2.72Å
263P93.3Very high95.3Very high89 Ų8928.9 Ų28.958%0.57816%0.156SC*.THydrogen-bonded Turntrans-68.3-16.3-166.624.9-35.2000114.3V6 R15 L265V6-P263 WeakPolarHBondContact CG2-O 3.48Å; R15-P263 PolarHBondContact NH1-O 3.17Å; R15-P263 PolarHBondContact NH2-O 3.04Å; P263-L265 VanDerWaalsContact C-N 3.32Å
264H92.9Very high95.2Very high119 Ų11928.4 Ų28.455%0.55115%0.153SC*.THydrogen-bonded Turntrans-84.1-7.8176.161.5-86.5000112.9P262P262-H264 VanDerWaalsContact CB-CE1 3.48Å; P262-H264 WeakPolarHBondContact CB-CE1 2.96Å; P262-H264 PolarHBondContact O-N 3.24Å; P262-H264 VanDerWaalsContact O-N 3.08Å
265L95.3Very high95.2Very high4 Ų428.4 Ų28.42%0.02115%0.153CC..SBendtrans-89.7133180-63.6-178.4000111.1F214 V220 I261 P262 P263 R267F214-L265 HydrophobicContact CB-CD1 4Å; F214-L265 HydrophobicContact CD1-CD1 3.65Å; F214-L265 HydrophobicContact CE1-CD1 4.47Å; F214-L265 HydrophobicContact CG-CD1 4.04Å; V220-L265 HydrophobicContact CG2-CD1 4.24Å; I261-L265 HydrophobicContact CG2-CB 4.2Å; P262-L265 HydrophobicContact CB-CD1 4.05Å; P262-L265 HydrophobicContact CB-CG 4.17Å; P262-L265 HydrophobicContact CG-CD1 4.05Å; P262-L265 WeakPolarHBondContact O-CB 3.38Å; P262-L265 PolarHBondContact O-N 2.72Å; P263-L265 VanDerWaalsContact C-N 3.32Å; L265-R267 PolarHBondContact O-NH1 3.03Å
266P96.7Very high95.1Very high2 Ų230.6 Ų30.61%0.01316%0.161CC..  trans-71.4141.8172.428.1-32.9000111.1F4 L19 S218 G219 V220 F268 I288F4-P266 HydrophobicContact CB-CB 4.17Å; F4-P266 HydrophobicContact CB-CG 4.02Å; F4-P266 VanDerWaalsContact CD1-CA 3.44Å; F4-P266 HydrophobicContact CD1-CB 3.65Å; F4-P266 HydrophobicContact CD1-CG 4.22Å; F4-P266 VanDerWaalsContact CD1-N 3.29Å; F4-P266 HydrophobicContact CD2-CB 4.13Å; F4-P266 VanDerWaalsContact CE1-CA 3.47Å; F4-P266 HydrophobicContact CE1-CB 3.88Å; F4-P266 HydrophobicContact CE2-CB 4.47Å; F4-P266 HydrophobicContact CG-CB 3.75Å; F4-P266 HydrophobicContact CG-CG 4.16Å; F4-P266 HydrophobicContact CZ-CB 4.37Å; L19-P266 HydrophobicContact CD1-CB 4.04Å; L19-P266 HydrophobicContact CD1-CG 3.93Å; S218-P266 WeakPolarHBondContact O-CD 3.39Å; S218-P266 WeakPolarHBondContact O-CG 3.33Å; G219-P266 WeakPolarHBondContact CA-O 3.42Å; V220-P266 PolarHBondContact N-O 3.18Å; P266-F268 HydrophobicContact CB-CD2 4.45Å; P266-F268 HydrophobicContact CB-CE2 3.92Å; P266-F268 HydrophobicContact CG-CE2 3.84Å; P266-I288 HydrophobicContact CB-CD1 4.43Å
267R97.6Very high94.9Very high10 Ų1026 Ų264%0.03814%0.142CC..EExtended strand (participates in β ladder)trans-107.8107.5-179.1-61.6166.9-164.670.41.6110.1F258 I261 L265 G285 C286 D287 I288F258-R267 HydrophobicContact CD1-CG 4.19Å; F258-R267 HydrophobicContact CE1-CB 3.95Å; F258-R267 HydrophobicContact CE1-CG 4.07Å; F258-R267 HydrophobicContact CE2-CB 4.13Å; F258-R267 VanDerWaalsContact CG-CD 3.45Å; F258-R267 HydrophobicContact CG-CG 4.44Å; F258-R267 HydrophobicContact CZ-CB 3.74Å; F258-R267 HydrophobicContact CZ-CG 4.29Å; I261-R267 HydrophobicContact CD1-CG 4.2Å; I261-R267 HydrophobicContact CG2-CG 4.47Å; L265-R267 PolarHBondContact O-NH1 3.03Å; R267-G285 WeakPolarHBondContact CD-O 3.35Å; R267-C286 PolarHBondContact O-SG 3.11Å; R267-D287 PolarHBondContact N-OD2 3.1Å; R267-D287 IonicContact NH1-OD2 3.95Å; R267-D287 PolarHBondContact NH1-OD2 2.79Å; R267-D287 VanDerWaalsContact NH1-OD2 3.11Å; R267-D287 PolarHBondContact O-N 2.86Å; R267-I288 PolarHBondContact O-N 3.33Å; R267-I288 VanDerWaalsContact O-N 3.11Å
268F98Very high94.9Very high3 Ų326 Ų261%0.01314%0.141CC..EExtended strand (participates in β ladder)trans-90.5144.5174.8-66.2-105.6000110.1L19 V95 F97 L193 V220 V221 I222 P266 I288L19-F268 HydrophobicContact CD2-CZ 4.39Å; V95-F268 HydrophobicContact CG1-CE1 4.2Å; F97-F268 HydrophobicContact CE1-CD1 4.47Å; F97-F268 AromaticContact CZ-CD1 3.92Å; F97-F268 HydrophobicContact CZ-CD1 3.92Å; F97-F268 HydrophobicContact CZ-CE1 4.44Å; L193-F268 HydrophobicContact CD1-CD1 4.39Å; L193-F268 HydrophobicContact CD1-CD2 3.91Å; L193-F268 HydrophobicContact CD1-CE1 4.39Å; L193-F268 HydrophobicContact CD1-CE2 3.93Å; L193-F268 HydrophobicContact CD1-CG 4.15Å; L193-F268 HydrophobicContact CD1-CZ 4.17Å; L193-F268 HydrophobicContact CD2-CD2 4Å; L193-F268 HydrophobicContact CD2-CE2 3.64Å; L193-F268 HydrophobicContact CD2-CZ 4.37Å; L193-F268 HydrophobicContact CG-CE2 4.47Å; V220-F268 WeakPolarHBondContact O-CB 3.14Å; V220-F268 PolarHBondContact O-N 3.01Å; V221-F268 WeakPolarHBondContact CA-O 3.32Å; V221-F268 HydrophobicContact CB-CB 4.42Å; V221-F268 HydrophobicContact CG2-CB 3.79Å; V221-F268 HydrophobicContact CG2-CG 4.33Å; I222-F268 PolarHBondContact N-O 2.68Å; P266-F268 HydrophobicContact CB-CD2 4.45Å; P266-F268 HydrophobicContact CB-CE2 3.92Å; P266-F268 HydrophobicContact CG-CE2 3.84Å; F268-I288 CarbonylContact C-O 3.52Å; F268-I288 WeakPolarHBondContact CA-O 3.44Å; F268-I288 HydrophobicContact CD1-CB 3.59Å; F268-I288 HydrophobicContact CD1-CD1 4.16Å; F268-I288 HydrophobicContact CD1-CG1 4.47Å; F268-I288 HydrophobicContact CD1-CG2 3.49Å; F268-I288 VanDerWaalsContact CD1-CG2 3.49Å; F268-I288 HydrophobicContact CE1-CB 3.76Å; F268-I288 HydrophobicContact CE1-CD1 3.49Å; F268-I288 VanDerWaalsContact CE1-CD1 3.49Å; F268-I288 HydrophobicContact CE1-CG1 4.21Å; F268-I288 HydrophobicContact CE1-CG2 3.5Å; F268-I288 VanDerWaalsContact CE1-CG2 3.5Å; F268-I288 HydrophobicContact CE2-CD1 3.91Å; F268-I288 HydrophobicContact CG-CB 4.11Å; F268-I288 HydrophobicContact CG-CG2 4.47Å; F268-I288 HydrophobicContact CZ-CB 4.39Å; F268-I288 HydrophobicContact CZ-CD1 3.34Å; F268-I288 HydrophobicContact CZ-CG1 4.43Å; F268-I288 HydrophobicContact CZ-CG2 4.47Å
269I96.9Very high94.9Very high1 Ų125.7 Ų25.71%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-132136.4166.1-161161000109.7I222 L250 L254 I272 C286 I288 F289I222-I269 HydrophobicContact CB-CD1 4.28Å; I222-I269 HydrophobicContact CB-CG1 4.04Å; I222-I269 HydrophobicContact CG2-CD1 4.11Å; I222-I269 HydrophobicContact CG2-CG1 4.2Å; I222-I269 WeakPolarHBondContact O-CA 3.46Å; L250-I269 HydrophobicContact CD2-CD1 4.47Å; L254-I269 HydrophobicContact CD1-CD1 4.39Å; L254-I269 HydrophobicContact CD2-CD1 4.1Å; I269-I272 HydrophobicContact CD1-CG1 3.65Å; I269-I272 HydrophobicContact CG1-CG1 3.78Å; I269-I272 HydrophobicContact CG2-CB 4.17Å; I269-I272 HydrophobicContact CG2-CG1 4.31Å; I269-C286 WeakPolarHBondContact CG2-SG 3.34Å; I269-I288 PolarHBondContact N-O 2.64Å; I269-F289 HydrophobicContact CG2-CD1 3.4Å; I269-F289 VanDerWaalsContact CG2-CD1 3.4Å; I269-F289 HydrophobicContact CG2-CE1 3.41Å; I269-F289 VanDerWaalsContact CG2-CE1 3.41Å; I269-F289 HydrophobicContact CG2-CG 4.26Å; I269-F289 HydrophobicContact CG2-CZ 4.27Å
270T94.3Very high94.9Very high5 Ų522.6 Ų22.63%0.03111%0.114CC..  trans-110.8155.3175.349.40000109.9F63 F97 I222 D223 I272 D290F63-T270 HydrophobicContact CE2-CG2 4.35Å; F97-T270 HydrophobicContact CD1-CG2 3.69Å; F97-T270 HydrophobicContact CE1-CG2 3.68Å; F97-T270 HydrophobicContact CG-CG2 4.43Å; F97-T270 HydrophobicContact CZ-CG2 4.41Å; I222-T270 PolarHBondContact O-N 3.48Å; I222-T270 VanDerWaalsContact O-N 3.12Å; D223-T270 VanDerWaalsContact CB-OG1 3.28Å; D223-T270 WeakPolarHBondContact CB-OG1 3.27Å; D223-T270 PolarHBondContact OD1-OG1 3.2Å; T270-I272 PolarHBondContact O-N 3.34Å; T270-D290 HydrophobicContact CG2-CB 4.38Å
271Q89.9Confident95Very high19 Ų1917 Ų179%0.0899%0.088CC..SBendtrans70.18.5177.9-48.7-173.779.900115P101 D223 D290P101-Q271 HydrophobicContact CB-CG 4.02Å; D223-Q271 PolarHBondContact OD1-NE2 3.12Å; Q271-D290 PolarHBondContact N-OD2 2.87Å
272I92.7Very high95Very high3 Ų316.9 Ų16.92%0.0159%0.088CC..  trans-102.4103.1167.2-57.4-57.6000108.8V225 L246 L250 I269 T270 D277 I278 A281 F289V225-I272 HydrophobicContact CG1-CD1 3.86Å; L246-I272 HydrophobicContact CD1-CD1 3.81Å; L246-I272 HydrophobicContact CD2-CD1 4.47Å; L250-I272 HydrophobicContact CD2-CD1 4.38Å; I269-I272 HydrophobicContact CD1-CG1 3.65Å; I269-I272 HydrophobicContact CG1-CG1 3.78Å; I269-I272 HydrophobicContact CG2-CB 4.17Å; I269-I272 HydrophobicContact CG2-CG1 4.31Å; T270-I272 PolarHBondContact O-N 3.34Å; I272-D277 HydrophobicContact CG2-CB 3.8Å; I272-I278 HydrophobicContact CG2-CG1 4.16Å; I272-A281 HydrophobicContact CG2-CB 4.49Å; I272-F289 HydrophobicContact CB-CD1 4.46Å; I272-F289 HydrophobicContact CG2-CD1 4.45Å; I272-F289 HydrophobicContact CG2-CE1 4.19Å
273W92.5Very high95.1Very high7 Ų718.4 Ų18.43%0.0279%0.09CC..  trans-127.8-9.4-167.852.2-94.3000114.3L293 L413 L416W273-L293 HydrophobicContact CB-CB 4.46Å; W273-L293 HydrophobicContact CE3-CD1 3.67Å; W273-L293 HydrophobicContact CZ3-CD1 4.12Å; W273-L293 WeakPolarHBondContact O-CB 3.36Å; W273-L413 HydrophobicContact CH2-CD2 3.57Å; W273-L413 HydrophobicContact CZ2-CD2 3.6Å; W273-L416 HydrophobicContact CH2-CD1 3.29Å; W273-L416 HydrophobicContact CZ3-CD1 3.34Å
274Q93.1Very high95.2Very high0 Ų014.3 Ų14.30%06%0.063CC..SBendtrans-87.1139.3177.9-71.9-128.922.300112.4Y276 D277 I278 F411Q274-Y276 VanDerWaalsContact C-N 3.32Å; Q274-Y276 PolarHBondContact O-N 2.88Å; Q274-Y276 VanDerWaalsContact O-N 3.16Å; Q274-D277 WeakPolarHBondContact CB-OD2 3.1Å; Q274-D277 PolarHBondContact O-N 2.86Å; Q274-I278 WeakPolarHBondContact O-CG1 3.3Å; Q274-I278 PolarHBondContact O-N 2.7Å; Q274-F411 PolarHBondContact NE2-O 2.81Å
275P95.2Very high95.4Very high0 Ų08.7 Ų8.70%04%0.038CC..Hα-helixtrans-49.4-47.4-172.1-32.437.3000114.4I278 A279 L293 W304 F386 V406 W409 F411P275-I278 PolarHBondContact O-N 3.17Å; P275-A279 WeakPolarHBondContact O-CB 3.47Å; P275-A279 PolarHBondContact O-N 3.47Å; P275-L293 HydrophobicContact CG-CD2 4.2Å; P275-W304 HydrophobicContact CB-CZ2 4.45Å; P275-W304 HydrophobicContact CG-CH2 4.02Å; P275-W304 HydrophobicContact CG-CZ2 3.77Å; P275-F386 HydrophobicContact CB-CD2 4.27Å; P275-F386 HydrophobicContact CB-CE2 3.67Å; P275-F386 HydrophobicContact CB-CZ 4.07Å; P275-F386 WeakPolarHBondContact O-CZ 3.17Å; P275-V406 HydrophobicContact CB-CB 4.27Å; P275-W409 HydrophobicContact CB-CB 4.35Å; P275-W409 HydrophobicContact CG-CB 4.07Å; P275-F411 HydrophobicContact CG-CE2 4.02Å
276Y94.1Very high95.5Very high49 Ų498.6 Ų8.619%0.1924%0.037CC..Hα-helixtrans-68.2-37.9178.4173.3-81.5000113.4L247 Q274 I278 A279 L280 I403L247-Y276 HydrophobicContact CD1-CE1 4.4Å; Q274-Y276 VanDerWaalsContact C-N 3.32Å; Q274-Y276 PolarHBondContact O-N 2.88Å; Q274-Y276 VanDerWaalsContact O-N 3.16Å; Y276-I278 VanDerWaalsContact C-N 3.35Å; Y276-A279 PolarHBondContact O-N 2.97Å; Y276-L280 HydrophobicContact CD1-CD1 3.78Å; Y276-L280 HydrophobicContact CD1-CG 4.09Å; Y276-L280 HydrophobicContact CE1-CD1 3.24Å; Y276-L280 HydrophobicContact CE1-CD2 4.49Å; Y276-L280 HydrophobicContact CE1-CG 3.85Å; Y276-L280 WeakPolarHBondContact O-CG 3.46Å; Y276-L280 PolarHBondContact O-N 3.19Å; Y276-I403 HydrophobicContact CD2-CG2 3.88Å; Y276-I403 HydrophobicContact CE2-CG2 3.48Å; Y276-I403 VanDerWaalsContact CE2-CG2 3.48Å
277D94.4Very high95.5Very high7 Ų78.5 Ų8.54%0.0374%0.037CC..Hα-helixtrans-71.5-35.2179.4-55.1-30.7000110.8R227 L250 I272 Q274 L280 A281 R410R227-D277 IonicContact CZ-OD2 2.8Å; R227-D277 IonicContact NH1-OD2 3.64Å; R227-D277 PolarHBondContact NH1-OD2 2.91Å; L250-D277 HydrophobicContact CD1-CB 3.8Å; I272-D277 HydrophobicContact CG2-CB 3.8Å; Q274-D277 WeakPolarHBondContact CB-OD2 3.1Å; Q274-D277 PolarHBondContact O-N 2.86Å; D277-L280 PolarHBondContact O-N 2.84Å; D277-A281 WeakPolarHBondContact O-CB 3.42Å; D277-A281 PolarHBondContact O-N 3.33Å; D277-R410 IonicContact OD1-CZ 2.67Å; D277-R410 VanDerWaalsContact OD1-CZ 3.32Å; D277-R410 IonicContact OD1-NH1 3.43Å; D277-R410 PolarHBondContact OD1-NH1 3.18Å; D277-R410 IonicContact OD1-NH2 3.73Å; D277-R410 PolarHBondContact OD1-NH2 2.98Å; D277-R410 IonicContact OD2-NH1 3.17Å; D277-R410 PolarHBondContact OD2-NH1 2.77Å
278I96.7Very high95.6Very high0 Ų08 Ų80%04%0.035CC..Hα-helixtrans-59.8-47.7170-68.3168.1000110.2I272 Q274 P275 Y276 L280 A281 A282 F289 Y383 F386 F387 L390I272-I278 HydrophobicContact CG2-CG1 4.16Å; Q274-I278 WeakPolarHBondContact O-CG1 3.3Å; Q274-I278 PolarHBondContact O-N 2.7Å; P275-I278 PolarHBondContact O-N 3.17Å; Y276-I278 VanDerWaalsContact C-N 3.35Å; I278-L280 PolarHBondContact O-N 3.46Å; I278-A281 PolarHBondContact O-N 2.89Å; I278-A282 WeakPolarHBondContact O-CB 3.5Å; I278-A282 PolarHBondContact O-N 2.9Å; I278-F289 HydrophobicContact CB-CD1 4.36Å; I278-F289 HydrophobicContact CB-CE1 4.06Å; I278-F289 HydrophobicContact CB-CZ 4.35Å; I278-F289 HydrophobicContact CG1-CD1 3.87Å; I278-F289 HydrophobicContact CG1-CE1 4.01Å; I278-F289 HydrophobicContact CG1-CG 4.47Å; I278-F289 HydrophobicContact CG2-CD1 4.09Å; I278-F289 HydrophobicContact CG2-CD2 4.1Å; I278-F289 HydrophobicContact CG2-CE1 3.82Å; I278-F289 HydrophobicContact CG2-CE2 3.84Å; I278-F289 HydrophobicContact CG2-CG 4.23Å; I278-F289 HydrophobicContact CG2-CZ 3.69Å; I278-F289 WeakPolarHBondContact O-CZ 3.42Å; I278-Y383 HydrophobicContact CD1-CE2 3.9Å; I278-Y383 WeakPolarHBondContact CD1-OH 3.08Å; I278-F386 HydrophobicContact CB-CE1 4.34Å; I278-F386 HydrophobicContact CB-CZ 4.16Å; I278-F386 HydrophobicContact CD1-CE1 4.24Å; I278-F386 HydrophobicContact CG2-CE1 3.8Å; I278-F386 HydrophobicContact CG2-CZ 3.93Å; I278-F387 HydrophobicContact CD1-CZ 4.38Å; I278-F387 HydrophobicContact CG2-CE1 3.99Å; I278-F387 HydrophobicContact CG2-CZ 3.77Å; I278-L390 HydrophobicContact CG2-CD2 4.06Å
279A96.7Very high95.6Very high0 Ų08 Ų80%04%0.035CC..Hα-helixtrans-62.6-41.2179.600000112.1P275 Y276 A282 R283 L390 F402 I403 V406P275-A279 WeakPolarHBondContact O-CB 3.47Å; P275-A279 PolarHBondContact O-N 3.47Å; Y276-A279 PolarHBondContact O-N 2.97Å; A279-A282 PolarHBondContact O-N 3.41Å; A279-R283 WeakPolarHBondContact O-CB 3.22Å; A279-R283 PolarHBondContact O-N 3.1Å; A279-L390 HydrophobicContact CB-CD1 4.48Å; A279-F402 HydrophobicContact CB-CD1 4.03Å; A279-F402 HydrophobicContact CB-CE1 3.97Å; A279-I403 HydrophobicContact CB-CG1 3.76Å; A279-V406 HydrophobicContact CB-CG2 3.71Å
280L96.1Very high95.5Very high2 Ų28 Ų81%0.014%0.035CC..Hα-helixtrans-62.9-46.7173.3-71.1-176.8000112.3L247 L250 T251 Y276 D277 I278 A282 R283 S284 I403L247-L280 HydrophobicContact CD1-CD1 3.45Å; L247-L280 VanDerWaalsContact CD1-CD1 3.45Å; L250-L280 HydrophobicContact CB-CB 4.29Å; L250-L280 HydrophobicContact CD1-CB 4.36Å; L250-L280 HydrophobicContact CD1-CD1 4.49Å; T251-L280 HydrophobicContact CG2-CD1 4.15Å; T251-L280 HydrophobicContact CG2-CD2 4.19Å; Y276-L280 HydrophobicContact CD1-CD1 3.78Å; Y276-L280 HydrophobicContact CD1-CG 4.09Å; Y276-L280 HydrophobicContact CE1-CD1 3.24Å; Y276-L280 HydrophobicContact CE1-CD2 4.49Å; Y276-L280 HydrophobicContact CE1-CG 3.85Å; Y276-L280 WeakPolarHBondContact O-CG 3.46Å; Y276-L280 PolarHBondContact O-N 3.19Å; D277-L280 PolarHBondContact O-N 2.84Å; I278-L280 PolarHBondContact O-N 3.46Å; L280-A282 VanDerWaalsContact C-N 3.33Å; L280-A282 PolarHBondContact O-N 3.39Å; L280-R283 PolarHBondContact O-N 2.96Å; L280-S284 PolarHBondContact O-N 3.34Å; L280-S284 PolarHBondContact O-OG 3.01Å; L280-I403 HydrophobicContact CD2-CD1 4.11Å; L280-I403 HydrophobicContact CD2-CG2 4.12Å
281A96.7Very high95.7Very high0 Ų08 Ų80%04%0.036CC..Hα-helixtrans-62.2-41178.200000111.8L250 L254 I272 D277 I278 S284 G285 C286 F289L250-A281 HydrophobicContact CD2-CB 4.04Å; L254-A281 HydrophobicContact CD2-CB 4.12Å; I272-A281 HydrophobicContact CG2-CB 4.49Å; D277-A281 WeakPolarHBondContact O-CB 3.42Å; D277-A281 PolarHBondContact O-N 3.33Å; I278-A281 PolarHBondContact O-N 2.89Å; A281-S284 CarbonylContact O-C 3.6Å; A281-S284 WeakPolarHBondContact O-CB 3.38Å; A281-S284 PolarHBondContact O-N 2.92Å; A281-G285 PolarHBondContact O-N 3.11Å; A281-C286 HydrophobicContact CB-CB 4.07Å; A281-C286 WeakPolarHBondContact O-CB 3.44Å; A281-C286 PolarHBondContact O-N 3.24Å; A281-F289 HydrophobicContact CB-CE1 3.72Å; A281-F289 HydrophobicContact CB-CZ 3.82Å
282A97.3Very high95.9Very high2 Ų27.1 Ų7.12%0.0173%0.031CC..Hα-helixtrans-65-42.1175.700000111.7P33 I278 A279 L280 S284 G285 F289 L390P33-A282 HydrophobicContact CB-CB 4.04Å; P33-A282 HydrophobicContact CG-CB 4.19Å; I278-A282 WeakPolarHBondContact O-CB 3.5Å; I278-A282 PolarHBondContact O-N 2.9Å; A279-A282 PolarHBondContact O-N 3.41Å; L280-A282 VanDerWaalsContact C-N 3.33Å; L280-A282 PolarHBondContact O-N 3.39Å; A282-S284 PolarHBondContact O-N 3.3Å; A282-G285 PolarHBondContact O-N 3.34Å; A282-F289 HydrophobicContact CB-CE2 4.44Å; A282-F289 HydrophobicContact CB-CZ 4.31Å; A282-L390 HydrophobicContact CB-CD1 4.08Å; A282-L390 HydrophobicContact CB-CD2 3.89Å; A282-L390 HydrophobicContact CB-CG 4.42Å
283R96.3Very high96.1Very high65 Ų657 Ų725%0.2453%0.031CC..Hα-helixtrans-58.5-34.5172.4-172.9177.865174.75.7112M14 A279 L280 G285 I399 D400 I403M14-R283 HydrophobicContact CG-CG 4.34Å; M14-R283 VanDerWaalsContact CG-O 3.24Å; M14-R283 WeakPolarHBondContact CG-O 3.21Å; M14-R283 HydrophobicContact SD-CG 4.19Å; A279-R283 WeakPolarHBondContact O-CB 3.22Å; A279-R283 PolarHBondContact O-N 3.1Å; L280-R283 PolarHBondContact O-N 2.96Å; R283-G285 PolarHBondContact O-N 2.9Å; R283-I399 HydrophobicContact CB-CG1 4.05Å; R283-I399 HydrophobicContact CG-CG1 4.27Å; R283-I399 HydrophobicContact CG-CG2 4.16Å; R283-D400 WeakPolarHBondContact CD-OD1 3.46Å; R283-D400 IonicContact CZ-OD1 3.32Å; R283-D400 IonicContact NH1-OD1 2.87Å; R283-D400 PolarHBondContact NH1-OD1 3.22Å; R283-I403 HydrophobicContact CB-CD1 4.1Å; R283-I403 HydrophobicContact CG-CD1 4.36Å
284S95.8Very high96.3Very high2 Ų26.8 Ų6.81%0.0143%0.03CC..THydrogen-bonded Turntrans-77.8-1176.1-62.80000114.3L250 F258 L280 A281 A282L250-S284 PolarHBondContact O-OG 2.67Å; F258-S284 WeakPolarHBondContact CD2-O 3.34Å; L280-S284 PolarHBondContact O-N 3.34Å; L280-S284 PolarHBondContact O-OG 3.01Å; A281-S284 CarbonylContact O-C 3.6Å; A281-S284 WeakPolarHBondContact O-CB 3.38Å; A281-S284 PolarHBondContact O-N 2.92Å; A282-S284 PolarHBondContact O-N 3.3Å
285G96.3Very high96.5Very high2 Ų27.4 Ų7.42%0.0213%0.033CC..THydrogen-bonded Turntrans102.812176.100000115.3W13 R267 A281 A282 R283W13-G285 WeakPolarHBondContact O-CA 3.29Å; R267-G285 WeakPolarHBondContact CD-O 3.35Å; A281-G285 PolarHBondContact O-N 3.11Å; A282-G285 PolarHBondContact O-N 3.34Å; R283-G285 PolarHBondContact O-N 2.9Å
286C97.4Very high96.5Very high2 Ų28.7 Ų8.71%0.0144%0.038CC..  trans-69.5136.6174.1-169.20000111.6F258 R267 I269 A281 F289F258-C286 HydrophobicContact CE2-CB 3.79Å; F258-C286 HydrophobicContact CZ-CB 4.4Å; R267-C286 PolarHBondContact O-SG 3.11Å; I269-C286 WeakPolarHBondContact CG2-SG 3.34Å; A281-C286 HydrophobicContact CB-CB 4.07Å; A281-C286 WeakPolarHBondContact O-CB 3.44Å; A281-C286 PolarHBondContact O-N 3.24Å; C286-F289 HydrophobicContact CB-CE2 4.39Å; C286-F289 HydrophobicContact CB-CZ 3.89Å
287D98.1Very high96.6Very high0 Ų06.4 Ų6.40%03%0.028CC..  trans-102.2-39.3-175-59-63.3000112.3F4 R15 T32 P33 G34 R267F4-D287 WeakPolarHBondContact CE1-OD2 3.34Å; F4-D287 HydrophobicContact CZ-CB 3.97Å; F4-D287 VanDerWaalsContact CZ-CG 3.4Å; F4-D287 VanDerWaalsContact CZ-OD1 3.32Å; F4-D287 WeakPolarHBondContact CZ-OD1 3.48Å; R15-D287 IonicContact NE-OD1 2.74Å; R15-D287 IonicContact NE-OD2 2.81Å; T32-D287 WeakPolarHBondContact CB-O 2.92Å; T32-D287 HydrophobicContact CG2-CB 4.1Å; P33-D287 VanDerWaalsContact CA-O 3.25Å; P33-D287 WeakPolarHBondContact CA-O 3.27Å; G34-D287 PolarHBondContact N-O 3.49Å; R267-D287 PolarHBondContact N-OD2 3.1Å; R267-D287 IonicContact NH1-OD2 3.95Å; R267-D287 PolarHBondContact NH1-OD2 2.79Å; R267-D287 VanDerWaalsContact NH1-OD2 3.11Å; R267-D287 PolarHBondContact O-N 2.86Å
288I98.1Very high96.7Very high0 Ų06 Ų60%03%0.027CC..EExtended strand (participates in β ladder)trans-138.2134.2-169.8-59.2167000112.8L19 L30 T32 G34 L36 P266 R267 F268 I269L19-I288 HydrophobicContact CB-CD1 4.41Å; L19-I288 HydrophobicContact CD1-CD1 4.12Å; L19-I288 HydrophobicContact CD2-CD1 3.74Å; L19-I288 HydrophobicContact CG-CD1 4.32Å; L30-I288 HydrophobicContact CD2-CD1 4.38Å; L30-I288 HydrophobicContact CD2-CG1 4.29Å; L30-I288 HydrophobicContact CD2-CG2 4.37Å; T32-I288 HydrophobicContact CG2-CD1 4.36Å; T32-I288 HydrophobicContact CG2-CG1 3.91Å; G34-I288 WeakPolarHBondContact O-CA 3.5Å; L36-I288 HydrophobicContact CD1-CG2 4.43Å; L36-I288 HydrophobicContact CD2-CG2 3.85Å; L36-I288 HydrophobicContact CG-CG2 3.81Å; P266-I288 HydrophobicContact CB-CD1 4.43Å; R267-I288 PolarHBondContact O-N 3.33Å; R267-I288 VanDerWaalsContact O-N 3.11Å; F268-I288 CarbonylContact C-O 3.52Å; F268-I288 WeakPolarHBondContact CA-O 3.44Å; F268-I288 HydrophobicContact CD1-CB 3.59Å; F268-I288 HydrophobicContact CD1-CD1 4.16Å; F268-I288 HydrophobicContact CD1-CG1 4.47Å; F268-I288 HydrophobicContact CD1-CG2 3.49Å; F268-I288 VanDerWaalsContact CD1-CG2 3.49Å; F268-I288 HydrophobicContact CE1-CB 3.76Å; F268-I288 HydrophobicContact CE1-CD1 3.49Å; F268-I288 VanDerWaalsContact CE1-CD1 3.49Å; F268-I288 HydrophobicContact CE1-CG1 4.21Å; F268-I288 HydrophobicContact CE1-CG2 3.5Å; F268-I288 VanDerWaalsContact CE1-CG2 3.5Å; F268-I288 HydrophobicContact CE2-CD1 3.91Å; F268-I288 HydrophobicContact CG-CB 4.11Å; F268-I288 HydrophobicContact CG-CG2 4.47Å; F268-I288 HydrophobicContact CZ-CB 4.39Å; F268-I288 HydrophobicContact CZ-CD1 3.34Å; F268-I288 HydrophobicContact CZ-CG1 4.43Å; F268-I288 HydrophobicContact CZ-CG2 4.47Å; I269-I288 PolarHBondContact N-O 2.64Å
289F98Very high96.6Very high2 Ų28.4 Ų8.41%0.0094%0.036CC..EExtended strand (participates in β ladder)trans-115.2158.3-179.5-60.6-95.4000112.5P33 G34 C35 L36 I269 I272 I278 A281 A282 C286 G291 F387P33-F289 HydrophobicContact CB-CE2 4.33Å; G34-F289 WeakPolarHBondContact O-CD2 3.16Å; G34-F289 PolarHBondContact O-N 3.08Å; C35-F289 WeakPolarHBondContact CA-O 3.49Å; C35-F289 HydrophobicContact CB-CB 4.45Å; L36-F289 PolarHBondContact N-O 3.42Å; I269-F289 HydrophobicContact CG2-CD1 3.4Å; I269-F289 VanDerWaalsContact CG2-CD1 3.4Å; I269-F289 HydrophobicContact CG2-CE1 3.41Å; I269-F289 VanDerWaalsContact CG2-CE1 3.41Å; I269-F289 HydrophobicContact CG2-CG 4.26Å; I269-F289 HydrophobicContact CG2-CZ 4.27Å; I272-F289 HydrophobicContact CB-CD1 4.46Å; I272-F289 HydrophobicContact CG2-CD1 4.45Å; I272-F289 HydrophobicContact CG2-CE1 4.19Å; I278-F289 HydrophobicContact CB-CD1 4.36Å; I278-F289 HydrophobicContact CB-CE1 4.06Å; I278-F289 HydrophobicContact CB-CZ 4.35Å; I278-F289 HydrophobicContact CG1-CD1 3.87Å; I278-F289 HydrophobicContact CG1-CE1 4.01Å; I278-F289 HydrophobicContact CG1-CG 4.47Å; I278-F289 HydrophobicContact CG2-CD1 4.09Å; I278-F289 HydrophobicContact CG2-CD2 4.1Å; I278-F289 HydrophobicContact CG2-CE1 3.82Å; I278-F289 HydrophobicContact CG2-CE2 3.84Å; I278-F289 HydrophobicContact CG2-CG 4.23Å; I278-F289 HydrophobicContact CG2-CZ 3.69Å; I278-F289 WeakPolarHBondContact O-CZ 3.42Å; A281-F289 HydrophobicContact CB-CE1 3.72Å; A281-F289 HydrophobicContact CB-CZ 3.82Å; A282-F289 HydrophobicContact CB-CE2 4.44Å; A282-F289 HydrophobicContact CB-CZ 4.31Å; C286-F289 HydrophobicContact CB-CE2 4.39Å; C286-F289 HydrophobicContact CB-CZ 3.89Å; F289-G291 VanDerWaalsContact C-N 3.35Å; F289-G291 PolarHBondContact O-N 3.35Å; F289-F387 HydrophobicContact CB-CZ 4Å; F289-F387 AromaticContact CD2-CE1 3.57Å; F289-F387 HydrophobicContact CD2-CE1 3.57Å; F289-F387 AromaticContact CD2-CZ 3.68Å; F289-F387 HydrophobicContact CD2-CZ 3.68Å; F289-F387 HydrophobicContact CE2-CE1 4.07Å; F289-F387 HydrophobicContact CE2-CZ 4.45Å; F289-F387 HydrophobicContact CG-CE1 4.34Å; F289-F387 AromaticContact CG-CZ 3.98Å; F289-F387 HydrophobicContact CG-CZ 3.98Å
290D96.3Very high96.4Very high1 Ų18.4 Ų8.41%0.0054%0.036CC..  trans-68.1-25.8-173.262.552.7000115.9F63 P101 T270 Q271 S292F63-D290 HydrophobicContact CD2-CB 4.04Å; F63-D290 HydrophobicContact CE2-CB 4.17Å; P101-D290 HydrophobicContact CB-CB 4.35Å; P101-D290 HydrophobicContact CG-CB 3.97Å; T270-D290 HydrophobicContact CG2-CB 4.38Å; Q271-D290 PolarHBondContact N-OD2 2.87Å; D290-S292 WeakPolarHBondContact OD1-CB 3.3Å; D290-S292 PolarHBondContact OD1-N 3.41Å; D290-S292 PolarHBondContact OD1-OG 3Å
291G97.1Very high96.4Very high5 Ų58.3 Ų8.35%0.0524%0.035CC..  trans79.917.2177.700000116.5L36 Y38 F289 L293 P294L36-G291 WeakPolarHBondContact O-CA 3.46Å; Y38-G291 WeakPolarHBondContact CB-O 3.44Å; F289-G291 VanDerWaalsContact C-N 3.35Å; F289-G291 PolarHBondContact O-N 3.35Å; G291-L293 PolarHBondContact O-N 2.79Å; G291-P294 WeakPolarHBondContact O-CD 3.48Å
292S95.9Very high96.3Very high0 Ų08.3 Ų8.30%04%0.035CC..  trans-77.5-13.9-174.661.90000115.4D290 Y295 R296D290-S292 WeakPolarHBondContact OD1-CB 3.3Å; D290-S292 PolarHBondContact OD1-N 3.41Å; D290-S292 PolarHBondContact OD1-OG 3Å; S292-Y295 PolarHBondContact O-N 3.05Å; S292-Y295 VanDerWaalsContact O-N 3.16Å; S292-R296 WeakPolarHBondContact O-CG 3.4Å; S292-R296 PolarHBondContact O-N 2.94Å; S292-R296 VanDerWaalsContact O-N 3.07Å; S292-R296 PolarHBondContact OG-NE 3.38Å; S292-R296 VanDerWaalsContact OG-NE 3.12Å; S292-R296 PolarHBondContact OG-NH2 3.41Å
293L95.8Very high96.3Very high1 Ų18.2 Ų8.21%0.0053%0.034CC..Hα-helixtrans-54.4-50.1-175.7177.468.9000113.1W273 P275 G291 Y295 R296 L297 W304 Y383 F411W273-L293 HydrophobicContact CB-CB 4.46Å; W273-L293 HydrophobicContact CE3-CD1 3.67Å; W273-L293 HydrophobicContact CZ3-CD1 4.12Å; W273-L293 WeakPolarHBondContact O-CB 3.36Å; P275-L293 HydrophobicContact CG-CD2 4.2Å; G291-L293 PolarHBondContact O-N 2.79Å; L293-Y295 PolarHBondContact O-N 3.42Å; L293-R296 WeakPolarHBondContact O-CB 3.12Å; L293-R296 PolarHBondContact O-N 3.04Å; L293-L297 HydrophobicContact CD1-CD1 4.05Å; L293-L297 HydrophobicContact CD1-CD2 3.82Å; L293-L297 HydrophobicContact CD1-CG 3.77Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.1Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 2.86Å; L293-W304 HydrophobicContact CD2-CE3 4.32Å; L293-W304 HydrophobicContact CD2-CH2 4.34Å; L293-W304 HydrophobicContact CD2-CZ3 3.96Å; L293-Y383 HydrophobicContact CB-CD2 4.15Å; L293-Y383 HydrophobicContact CB-CE2 3.7Å; L293-Y383 HydrophobicContact CD2-CD2 3.62Å; L293-Y383 HydrophobicContact CD2-CE2 3.59Å; L293-Y383 HydrophobicContact CG-CD2 4.37Å; L293-Y383 HydrophobicContact CG-CE2 4.24Å; L293-F411 HydrophobicContact CD1-CD2 3.98Å; L293-F411 HydrophobicContact CD1-CE2 3.96Å; L293-F411 HydrophobicContact CD2-CE2 4.13Å
294P97.6Very high96.4Very high2 Ų25.2 Ų5.21%0.0132%0.023CC..Hα-helixtrans-55-39.5179.5-28.337.1000113.5G291 S298 M376 N379 Y383G291-P294 WeakPolarHBondContact O-CD 3.48Å; P294-S298 VanDerWaalsContact O-CB 3.28Å; P294-S298 WeakPolarHBondContact O-CB 3.39Å; P294-S298 PolarHBondContact O-N 3.16Å; P294-S298 PolarHBondContact O-OG 3.49Å; P294-M376 HydrophobicContact CB-CE 4.29Å; P294-M376 HydrophobicContact CB-SD 3.97Å; P294-N379 HydrophobicContact CB-CB 4.01Å; P294-Y383 HydrophobicContact CG-CD1 3.78Å; P294-Y383 HydrophobicContact CG-CG 3.88Å
295Y96.6Very high96.4Very high13 Ų136 Ų65%0.0513%0.027CC..Hα-helixtrans-66.6-46.5176.5169.8-106.2000111.9Y38 R40 P45 F46 T102 S292 L293 L297 S298 R299Y38-Y295 HydrophobicContact CD1-CG 4.28Å; Y38-Y295 AromaticContact CE1-CD1 3.77Å; Y38-Y295 HydrophobicContact CE1-CD1 3.77Å; Y38-Y295 AromaticContact CE1-CG 3.76Å; Y38-Y295 HydrophobicContact CE1-CG 3.76Å; R40-Y295 PolarHBondContact NH1-OH 3.45Å; P45-Y295 HydrophobicContact CB-CD2 3.34Å; P45-Y295 HydrophobicContact CB-CE2 3.87Å; P45-Y295 HydrophobicContact CB-CG 4.21Å; P45-Y295 HydrophobicContact CG-CD2 3.56Å; P45-Y295 HydrophobicContact CG-CE2 4.22Å; P45-Y295 HydrophobicContact CG-CG 3.97Å; F46-Y295 AromaticContact CE2-CD2 3.75Å; F46-Y295 HydrophobicContact CE2-CD2 3.75Å; F46-Y295 AromaticContact CE2-CE2 3.9Å; F46-Y295 HydrophobicContact CE2-CE2 3.9Å; F46-Y295 HydrophobicContact CZ-CD2 4.13Å; F46-Y295 AromaticContact CZ-CE2 3.78Å; F46-Y295 HydrophobicContact CZ-CE2 3.78Å; T102-Y295 HydrophobicContact CG2-CD1 3.66Å; T102-Y295 HydrophobicContact CG2-CE1 4Å; S292-Y295 PolarHBondContact O-N 3.05Å; S292-Y295 VanDerWaalsContact O-N 3.16Å; L293-Y295 PolarHBondContact O-N 3.42Å; Y295-L297 VanDerWaalsContact C-N 3.32Å; Y295-L297 PolarHBondContact O-N 3.12Å; Y295-S298 PolarHBondContact O-N 2.85Å; Y295-R299 HydrophobicContact CE2-CB 4.19Å; Y295-R299 HydrophobicContact CE2-CG 4.47Å; Y295-R299 VanDerWaalsContact O-CB 3.22Å; Y295-R299 WeakPolarHBondContact O-CB 3.47Å; Y295-R299 PolarHBondContact O-N 2.65Å; Y295-R299 WeakPolarHBondContact OH-CD 3.15Å
296R94.6Very high96.3Very high28 Ų285.9 Ų5.911%0.1063%0.026CC..Hα-helixtrans-56-48.2178.2-66.3173.6-171.4-88.31.7111.1P101 T102 S292 L293 S300 L416P101-R296 VanDerWaalsContact C-NH2 3.3Å; P101-R296 PolarHBondContact O-NH2 3.26Å; T102-R296 HydrophobicContact CG2-CG 4.5Å; S292-R296 WeakPolarHBondContact O-CG 3.4Å; S292-R296 PolarHBondContact O-N 2.94Å; S292-R296 VanDerWaalsContact O-N 3.07Å; S292-R296 PolarHBondContact OG-NE 3.38Å; S292-R296 VanDerWaalsContact OG-NE 3.12Å; S292-R296 PolarHBondContact OG-NH2 3.41Å; L293-R296 WeakPolarHBondContact O-CB 3.12Å; L293-R296 PolarHBondContact O-N 3.04Å; R296-S300 PolarHBondContact O-N 2.99Å; R296-S300 PolarHBondContact O-OG 3.32Å; R296-L416 HydrophobicContact CB-CD2 4.36Å
297L96.2Very high96.1Very high0 Ų09 Ų90%04%0.041CC..Hα-helixtrans-64-50.9179.3-59.5-171.1000111.3L293 Y295 R299 S300 G301 I302 W304 F411 L416L293-L297 HydrophobicContact CD1-CD1 4.05Å; L293-L297 HydrophobicContact CD1-CD2 3.82Å; L293-L297 HydrophobicContact CD1-CG 3.77Å; L293-L297 HydrophobicContact CG-CD1 4.06Å; L293-L297 HydrophobicContact CG-CG 4.1Å; L293-L297 WeakPolarHBondContact O-CG 3.45Å; L293-L297 PolarHBondContact O-N 2.86Å; Y295-L297 VanDerWaalsContact C-N 3.32Å; Y295-L297 PolarHBondContact O-N 3.12Å; L297-R299 PolarHBondContact O-N 3.42Å; L297-S300 CarbonylContact O-C 3.59Å; L297-S300 PolarHBondContact O-N 2.74Å; L297-S300 VanDerWaalsContact O-N 3.11Å; L297-G301 PolarHBondContact O-N 3.2Å; L297-I302 HydrophobicContact CB-CB 4.13Å; L297-I302 HydrophobicContact CB-CG2 4.32Å; L297-I302 HydrophobicContact CD2-CB 4.39Å; L297-I302 HydrophobicContact CD2-CG2 4.11Å; L297-I302 PolarHBondContact O-N 3.46Å; L297-W304 HydrophobicContact CD1-CB 3.77Å; L297-W304 HydrophobicContact CD1-CG 4.34Å; L297-F411 HydrophobicContact CD1-CE1 3.88Å; L297-F411 HydrophobicContact CD1-CE2 4.12Å; L297-F411 HydrophobicContact CD1-CZ 3.64Å; L297-F411 HydrophobicContact CD2-CB 4.33Å; L297-F411 HydrophobicContact CD2-CD1 3.65Å; L297-F411 HydrophobicContact CD2-CD2 4.01Å; L297-F411 HydrophobicContact CD2-CE1 3.83Å; L297-F411 HydrophobicContact CD2-CE2 4.19Å; L297-F411 HydrophobicContact CD2-CG 3.73Å; L297-F411 HydrophobicContact CD2-CZ 4.1Å; L297-L416 HydrophobicContact CD2-CD2 3.62Å
298S97Very high95.8Very high0 Ų012.4 Ų12.40%06%0.059CC..Hα-helixtrans-66.3-37.6-174.1-49.30000112.5P294 Y295 S300 G301 L375 M376 N379P294-S298 VanDerWaalsContact O-CB 3.28Å; P294-S298 WeakPolarHBondContact O-CB 3.39Å; P294-S298 PolarHBondContact O-N 3.16Å; P294-S298 PolarHBondContact O-OG 3.49Å; Y295-S298 PolarHBondContact O-N 2.85Å; S298-S300 PolarHBondContact O-N 3.16Å; S298-G301 PolarHBondContact O-N 3.25Å; S298-L375 VanDerWaalsContact OG-C 3.28Å; S298-L375 PolarHBondContact OG-O 2.98Å; S298-M376 WeakPolarHBondContact OG-CA 3.29Å; S298-M376 PolarHBondContact OG-N 3.42Å; S298-N379 PolarHBondContact OG-ND2 3.35Å
299R94.3Very high95.6Very high50 Ų5012.6 Ų12.619%0.1896%0.06CC..Hα-helixtrans-61-36.1174.5-171.2-17296.1137.6-6.1112F46 Y295 L297 G301 T417 D419 K420 T421F46-R299 HydrophobicContact CZ-CB 4.48Å; Y295-R299 HydrophobicContact CE2-CB 4.19Å; Y295-R299 HydrophobicContact CE2-CG 4.47Å; Y295-R299 VanDerWaalsContact O-CB 3.22Å; Y295-R299 WeakPolarHBondContact O-CB 3.47Å; Y295-R299 PolarHBondContact O-N 2.65Å; Y295-R299 WeakPolarHBondContact OH-CD 3.15Å; L297-R299 PolarHBondContact O-N 3.42Å; R299-G301 VanDerWaalsContact C-N 3.31Å; R299-T417 PolarHBondContact NH2-O 3.03Å; R299-T417 VanDerWaalsContact NH2-O 3.07Å; R299-D419 WeakPolarHBondContact CD-OD2 3.38Å; R299-D419 HydrophobicContact CG-CB 4.3Å; R299-D419 WeakPolarHBondContact CG-OD1 3.27Å; R299-D419 VanDerWaalsContact CZ-CB 3.45Å; R299-D419 IonicContact CZ-OD2 3.55Å; R299-D419 IonicContact NE-OD2 3.3Å; R299-D419 IonicContact NH1-OD2 3.81Å; R299-D419 PolarHBondContact NH1-OD2 3.49Å; R299-K420 PolarHBondContact O-N 2.76Å; R299-T421 HydrophobicContact CG-CG2 4.38Å
300S93.5Very high95.2Very high0 Ų016.2 Ų16.20%08%0.08CC..THydrogen-bonded Turntrans-91.59.8-179-59.10000113.4R296 L297 S298 I302 I415 L416 V418 K420R296-S300 PolarHBondContact O-N 2.99Å; R296-S300 PolarHBondContact O-OG 3.32Å; L297-S300 CarbonylContact O-C 3.59Å; L297-S300 PolarHBondContact O-N 2.74Å; L297-S300 VanDerWaalsContact O-N 3.11Å; S298-S300 PolarHBondContact O-N 3.16Å; S300-I302 VanDerWaalsContact C-N 3.32Å; S300-I302 PolarHBondContact O-N 3.09Å; S300-I415 WeakPolarHBondContact CB-O 3.42Å; S300-I415 PolarHBondContact OG-O 3.48Å; S300-L416 WeakPolarHBondContact OG-CA 3.34Å; S300-L416 PolarHBondContact OG-O 2.99Å; S300-V418 PolarHBondContact OG-O 3.44Å; S300-K420 WeakPolarHBondContact O-CD 3.44Å; S300-K420 VanDerWaalsContact O-CE 3.29Å; S300-K420 WeakPolarHBondContact O-CE 3.48Å
301G95.1Very high94.6Very high0 Ų019.3 Ų19.30%09%0.094CC..THydrogen-bonded Turntrans69.326.7179.700000113.5L297 S298 R299 F326L297-G301 PolarHBondContact O-N 3.2Å; S298-G301 PolarHBondContact O-N 3.25Å; R299-G301 VanDerWaalsContact C-N 3.31Å; G301-F326 WeakPolarHBondContact O-CB 3.26Å; G301-F326 WeakPolarHBondContact O-CD2 3.48Å; G301-F326 PolarHBondContact O-N 3.4Å
302I95.8Very high94Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-99.7127.4-179.7-66.8167.7000110.1L297 S300 F323 L324 E325 N379 F411 I415 L416L297-I302 HydrophobicContact CB-CB 4.13Å; L297-I302 HydrophobicContact CB-CG2 4.32Å; L297-I302 HydrophobicContact CD2-CB 4.39Å; L297-I302 HydrophobicContact CD2-CG2 4.11Å; L297-I302 PolarHBondContact O-N 3.46Å; S300-I302 VanDerWaalsContact C-N 3.32Å; S300-I302 PolarHBondContact O-N 3.09Å; I302-F323 HydrophobicContact CG2-CB 3.84Å; I302-F323 HydrophobicContact CG2-CD2 4.06Å; I302-F323 HydrophobicContact CG2-CG 4.22Å; I302-L324 CarbonylContact C-O 3.51Å; I302-L324 VanDerWaalsContact CA-O 3.32Å; I302-L324 WeakPolarHBondContact CA-O 3.44Å; I302-E325 HydrophobicContact CG1-CG 4.38Å; I302-N379 PolarHBondContact O-ND2 3.21Å; I302-F411 HydrophobicContact CG2-CD1 4.33Å; I302-F411 HydrophobicContact CG2-CE1 4.27Å; I302-I415 HydrophobicContact CD1-CB 4.26Å; I302-I415 HydrophobicContact CD1-CG2 3.76Å; I302-I415 HydrophobicContact CG1-CG2 4.28Å; I302-L416 HydrophobicContact CD1-CD2 3.69Å; I302-L416 HydrophobicContact CD1-CG 4.28Å
303G97.1Very high93.1Very high0 Ų028.7 Ų28.70%015%0.148CC..EExtended strand (participates in β ladder)trans-98.2115.8165.700000110.5V305 F323 L324G303-V305 PolarHBondContact O-N 2.95Å; G303-F323 CarbonylContact O-C 3.5Å; G303-F323 VanDerWaalsContact O-CA 3.29Å; G303-F323 WeakPolarHBondContact O-CA 3.23Å; G303-L324 PolarHBondContact N-O 3.37Å; G303-L324 PolarHBondContact O-N 3.08Å
304W97.1Very high91.5Very high1 Ų130.5 Ų30.50%0.00416%0.159CC..EExtended strand (participates in β ladder)trans-71.9127.1177.6-174.911.6000111.2P275 L293 L297 Y306 H378 N379 Q382 Y383 F386 W409 F411P275-W304 HydrophobicContact CB-CZ2 4.45Å; P275-W304 HydrophobicContact CG-CH2 4.02Å; P275-W304 HydrophobicContact CG-CZ2 3.77Å; L293-W304 HydrophobicContact CD2-CE3 4.32Å; L293-W304 HydrophobicContact CD2-CH2 4.34Å; L293-W304 HydrophobicContact CD2-CZ3 3.96Å; L297-W304 HydrophobicContact CD1-CB 3.77Å; L297-W304 HydrophobicContact CD1-CG 4.34Å; W304-Y306 AromaticContact CE2-CD2 3.84Å; W304-Y306 HydrophobicContact CH2-CD2 4.14Å; W304-Y306 HydrophobicContact CH2-CG 4.36Å; W304-Y306 AromaticContact CZ2-CD2 3.39Å; W304-Y306 HydrophobicContact CZ2-CD2 3.39Å; W304-Y306 HydrophobicContact CZ2-CE2 4.15Å; W304-Y306 AromaticContact CZ2-CG 3.85Å; W304-Y306 HydrophobicContact CZ2-CG 3.85Å; W304-H378 PolarHBondContact O-NE2 2.76Å; W304-N379 PolarHBondContact N-OD1 3.01Å; W304-Q382 HydrophobicContact CD2-CB 4.22Å; W304-Q382 HydrophobicContact CE3-CB 3.76Å; W304-Q382 HydrophobicContact CZ3-CB 4.25Å; W304-Y383 HydrophobicContact CH2-CD2 4.25Å; W304-Y383 AromaticContact CZ3-CD2 3.75Å; W304-Y383 HydrophobicContact CZ3-CD2 3.75Å; W304-Y383 HydrophobicContact CZ3-CG 4.31Å; W304-F386 HydrophobicContact CH2-CB 3.6Å; W304-F386 HydrophobicContact CH2-CD1 4.45Å; W304-F386 HydrophobicContact CH2-CD2 4.07Å; W304-F386 AromaticContact CH2-CG 3.79Å; W304-F386 HydrophobicContact CH2-CG 3.79Å; W304-F386 HydrophobicContact CZ2-CB 4.41Å; W304-F386 HydrophobicContact CZ2-CD2 4.42Å; W304-F386 HydrophobicContact CZ3-CB 4.31Å; W304-W409 AromaticContact CD1-CD1 3.55Å; W304-W409 AromaticContact CD1-NE1 3.52Å; W304-W409 AromaticContact NE1-CD1 3.05Å; W304-W409 AromaticContact NE1-CD2 3.93Å; W304-W409 AromaticContact NE1-CE2 3.63Å; W304-W409 AromaticContact NE1-CG 3.61Å; W304-W409 AromaticContact NE1-NE1 3.05Å; W304-F411 HydrophobicContact CB-CZ 4.23Å; W304-F411 AromaticContact CD1-CZ 3.6Å; W304-F411 HydrophobicContact CD2-CZ 4Å; W304-F411 HydrophobicContact CG-CE1 4.34Å; W304-F411 AromaticContact CG-CZ 3.71Å; W304-F411 HydrophobicContact CG-CZ 3.71Å; W304-F411 AromaticContact NE1-CZ 3.87Å
305V95.8Very high89.7Confident18 Ų1835 Ų3511%0.10919%0.191CC..  trans-100100.1168.6-177.60000107.3G303 P321 K322 L324 I343 Q344 W409G303-V305 PolarHBondContact O-N 2.95Å; V305-P321 WeakPolarHBondContact CB-O 3.38Å; V305-P321 WeakPolarHBondContact CG1-O 3.28Å; V305-K322 PolarHBondContact N-O 3.09Å; V305-K322 VanDerWaalsContact N-O 3.13Å; V305-K322 VanDerWaalsContact O-O 3.05Å; V305-L324 HydrophobicContact CG2-CG 4.18Å; V305-I343 HydrophobicContact CG2-CG2 4.43Å; V305-Q344 HydrophobicContact CG1-CB 4.47Å; V305-Q344 HydrophobicContact CG1-CG 4.24Å; V305-W409 WeakPolarHBondContact O-CZ2 3.07Å; V305-W409 PolarHBondContact O-NE1 2.94Å
306Y95.1Very high88.1Confident0 Ų036.3 Ų36.30%020%0.202CC..PPolyproline II helixtrans-102.7116.1-177.1177.9-114.6000110.3W304 Q344 R385 F386 D389 W409W304-Y306 AromaticContact CE2-CD2 3.84Å; W304-Y306 HydrophobicContact CH2-CD2 4.14Å; W304-Y306 HydrophobicContact CH2-CG 4.36Å; W304-Y306 AromaticContact CZ2-CD2 3.39Å; W304-Y306 HydrophobicContact CZ2-CD2 3.39Å; W304-Y306 HydrophobicContact CZ2-CE2 4.15Å; W304-Y306 AromaticContact CZ2-CG 3.85Å; W304-Y306 HydrophobicContact CZ2-CG 3.85Å; Y306-Q344 VanDerWaalsContact O-CD 3.31Å; Y306-Q344 PolarHBondContact O-NE2 3.31Å; Y306-Q344 PolarHBondContact O-OE1 3.47Å; Y306-R385 HydrophobicContact CD1-CB 4.45Å; Y306-R385 HydrophobicContact CE1-CB 4.38Å; Y306-F386 HydrophobicContact CD1-CB 4.42Å; Y306-F386 HydrophobicContact CE1-CB 4Å; Y306-F386 HydrophobicContact CE2-CB 4.14Å; Y306-F386 AromaticContact CE2-CD2 3.96Å; Y306-F386 HydrophobicContact CE2-CD2 3.96Å; Y306-D389 WeakPolarHBondContact OH-CB 3.33Å; Y306-D389 PolarHBondContact OH-OD2 3.31Å; Y306-D389 VanDerWaalsContact OH-OD2 3.13Å; Y306-W409 HydrophobicContact CD2-CH2 4.04Å; Y306-W409 HydrophobicContact CD2-CZ2 4.06Å; Y306-W409 HydrophobicContact CD2-CZ3 4.37Å; Y306-W409 HydrophobicContact CE2-CH2 4.26Å; Y306-W409 HydrophobicContact CE2-CZ3 4.32Å
307E92.6Very high87Confident68 Ų6843.4 Ų43.432%0.31824%0.238SC..PPolyproline II helixtrans-87.6132.1172.4-167.6178158.600109.4V318 S319 H405 W409E307-V318 HydrophobicContact CB-CG1 4.32Å; E307-V318 WeakPolarHBondContact OE2-CA 3.37Å; E307-S319 PolarHBondContact OE2-N 2.7Å; E307-H405 PolarHBondContact O-CE1 3.05Å; E307-H405 PolarHBondContact O-NE2 3.29Å; E307-W409 HydrophobicContact CB-CH2 4.1Å; E307-W409 HydrophobicContact CB-CZ2 4.25Å
308D91.9Very high86Confident72 Ų7244 Ų4439%0.38524%0.241SC..PPolyproline II helixtrans-63.2144.1-179.9-70.8-13.1000110.7N310 R385 D389D308-N310 PolarHBondContact O-N 3.12Å; D308-R385 IonicContact OD1-CZ 2.65Å; D308-R385 IonicContact OD1-NE 3.4Å; D308-R385 PolarHBondContact OD1-NE 2.99Å; D308-R385 IonicContact OD1-NH2 3.42Å; D308-R385 PolarHBondContact OD1-NH2 3.22Å; D308-R385 IonicContact OD2-CZ 2.85Å; D308-R385 IonicContact OD2-NH2 3.05Å; D308-R385 PolarHBondContact OD2-NH2 3.49Å; D308-D389 WeakPolarHBondContact CA-OD2 3.23Å
309W93.3Very high85.2Confident3 Ų347.5 Ų47.51%0.01127%0.266CS..  trans-73.9115.9178.5175.568000111.1E311 D389 R392 V396 K398 S401 F402 H405W309-E311 HydrophobicContact CH2-CB 3.84Å; W309-E311 HydrophobicContact CH2-CG 3.79Å; W309-E311 HydrophobicContact CZ2-CB 4.43Å; W309-E311 HydrophobicContact CZ2-CG 4.48Å; W309-E311 HydrophobicContact CZ3-CB 4Å; W309-E311 HydrophobicContact CZ3-CG 4.32Å; W309-D389 HydrophobicContact CB-CB 4.08Å; W309-D389 PolarHBondContact N-OD2 2.63Å; W309-R392 HydrophobicContact CZ3-CG 4.3Å; W309-R392 VanDerWaalsContact O-CZ 3.3Å; W309-R392 PolarHBondContact O-NH1 3.48Å; W309-R392 PolarHBondContact O-NH2 3.05Å; W309-V396 HydrophobicContact CH2-CG2 3.67Å; W309-V396 HydrophobicContact CZ3-CG2 4.05Å; W309-K398 HydrophobicContact CH2-CB 3.75Å; W309-K398 HydrophobicContact CH2-CD 4.25Å; W309-K398 HydrophobicContact CZ2-CB 3.71Å; W309-K398 HydrophobicContact CZ2-CD 4.4Å; W309-S401 PolarHBondContact NE1-OG 3.21Å; W309-F402 HydrophobicContact CB-CD2 3.67Å; W309-F402 HydrophobicContact CB-CE2 3.96Å; W309-F402 AromaticContact CD1-CD2 3.91Å; W309-F402 HydrophobicContact CD2-CB 4.36Å; W309-F402 AromaticContact CD2-CD2 3.97Å; W309-F402 HydrophobicContact CD2-CD2 3.97Å; W309-F402 HydrophobicContact CG-CB 4.42Å; W309-F402 AromaticContact CG-CD2 3.54Å; W309-F402 HydrophobicContact CG-CD2 3.54Å; W309-F402 HydrophobicContact CG-CE2 4.33Å; W309-F402 HydrophobicContact CG-CG 4.47Å; W309-H405 AromaticContact CD1-CG 3.83Å
310N89.9Confident84.7Confident79 Ų7951.2 Ų51.242%0.42229%0.29SS..  trans-89.9118175.2-169.5-24000111.3D308 T312 N313D308-N310 PolarHBondContact O-N 3.12Å; N310-T312 PolarHBondContact O-N 3.42Å; N310-T312 PolarHBondContact OD1-N 2.77Å; N310-T312 PolarHBondContact OD1-OG1 2.76Å; N310-N313 CarbonylContact O-C 3.58Å; N310-N313 PolarHBondContact O-N 3.07Å
311E84.5Confident84.4Confident65 Ų6553.7 Ų53.730%0.30431%0.306SS..SBendtrans-61-32.7179.3-174.1-172.1155.500113.1W309 V396 K398W309-E311 HydrophobicContact CH2-CB 3.84Å; W309-E311 HydrophobicContact CH2-CG 3.79Å; W309-E311 HydrophobicContact CZ2-CB 4.43Å; W309-E311 HydrophobicContact CZ2-CG 4.48Å; W309-E311 HydrophobicContact CZ3-CB 4Å; W309-E311 HydrophobicContact CZ3-CG 4.32Å; E311-V396 HydrophobicContact CG-CG2 4.06Å; E311-K398 HydrophobicContact CG-CD 3.56Å; E311-K398 PolarHBondContact O-NZ 2.61Å; E311-K398 IonicContact OE1-NZ 3.55Å; E311-K398 PolarHBondContact OE1-NZ 3.07Å
312T83.8Confident84.2Confident121 Ų12156.6 Ų56.674%0.74232%0.318SS*.SBendtrans-88.2-20.6-176.360.40000113.3N310 P314N310-T312 PolarHBondContact O-N 3.42Å; N310-T312 PolarHBondContact OD1-N 2.77Å; N310-T312 PolarHBondContact OD1-OG1 2.76Å; T312-P314 VanDerWaalsContact C-CD 3.44Å
313N77.5Confident84.1Confident82 Ų8258.9 Ų58.944%0.43933%0.328SS..  trans-131.168.7174.6-159.8-1000112.1N310 S315 S316N310-N313 CarbonylContact O-C 3.58Å; N310-N313 PolarHBondContact O-N 3.07Å; N313-S315 PolarHBondContact O-N 3.12Å; N313-S315 VanDerWaalsContact O-N 3.07Å; N313-S316 PolarHBondContact ND2-OG 3.23Å; N313-S316 PolarHBondContact O-N 3.36Å; N313-S316 PolarHBondContact O-OG 2.69Å; N313-S316 PolarHBondContact OD1-N 3.17Å
314P61.7Low83.9Confident39 Ų3959.2 Ų59.225%0.25333%0.33SS..THydrogen-bonded Turntrans-48.9-30.5176.3-36.341000116.5T312 S401T312-P314 VanDerWaalsContact C-CD 3.44Å; P314-S401 WeakPolarHBondContact CA-OG 3.42Å; P314-S401 WeakPolarHBondContact CB-OG 3.41Å; P314-S401 VanDerWaalsContact CG-OG 3.32Å; P314-S401 WeakPolarHBondContact CG-OG 3.18Å
315S59.3Low83.7Confident96 Ų9662.5 Ų62.567%0.67135%0.346SS*.THydrogen-bonded Turntrans-109.59.3-164.3-55.20000112N313 M317N313-S315 PolarHBondContact O-N 3.12Å; N313-S315 VanDerWaalsContact O-N 3.07Å; S315-M317 PolarHBondContact O-N 3.03Å; S315-M317 VanDerWaalsContact O-N 3.11Å
316S64.8Low83.6Confident40 Ų4061.7 Ų61.728%0.2834%0.341SS..PPolyproline II helixtrans-51.2121.6164.6-70.20000108.3N313 V318N313-S316 PolarHBondContact ND2-OG 3.23Å; N313-S316 PolarHBondContact O-N 3.36Å; N313-S316 PolarHBondContact O-OG 2.69Å; N313-S316 PolarHBondContact OD1-N 3.17Å; S316-V318 PolarHBondContact O-N 2.68Å; S316-V318 VanDerWaalsContact O-N 3.11Å
317M69.7Low83.4Confident178 Ų17863.9 Ų63.988%0.87736%0.355SS*.PPolyproline II helixtrans-60.4118.8169-68.1-1737300107S315 S319S315-M317 PolarHBondContact O-N 3.03Å; S315-M317 VanDerWaalsContact O-N 3.11Å; M317-S319 PolarHBondContact O-N 2.83Å
318V76.6Confident83.2Confident11 Ų1161.9 Ų61.97%0.06735%0.345CS..PPolyproline II helixtrans-56.3124.8172.9173.60000107.6E307 S316 N408 W409E307-V318 HydrophobicContact CB-CG1 4.32Å; E307-V318 WeakPolarHBondContact OE2-CA 3.37Å; S316-V318 PolarHBondContact O-N 2.68Å; S316-V318 VanDerWaalsContact O-N 3.11Å; V318-N408 HydrophobicContact CB-CB 4.12Å; V318-N408 HydrophobicContact CG2-CB 4.04Å; V318-N408 VanDerWaalsContact CG2-ND2 3.34Å; V318-N408 WeakPolarHBondContact CG2-ND2 3.19Å; V318-W409 HydrophobicContact CB-CH2 4.23Å; V318-W409 HydrophobicContact CG1-CH2 3.54Å; V318-W409 HydrophobicContact CG1-CZ2 3.43Å; V318-W409 VanDerWaalsContact CG1-CZ2 3.43Å; V318-W409 HydrophobicContact CG1-CZ3 4.36Å; V318-W409 HydrophobicContact CG2-CH2 3.6Å; V318-W409 HydrophobicContact CG2-CZ2 4.37Å; V318-W409 HydrophobicContact CG2-CZ3 3.89Å
319S80.7Confident82.7Confident74 Ų7465.2 Ų65.252%0.51736%0.359SS..PPolyproline II helixtrans-65.3137.7-179.357.80000110.6E307 M317E307-S319 PolarHBondContact OE2-N 2.7Å; M317-S319 PolarHBondContact O-N 2.83Å
320D81.9Confident81.6Confident128 Ų12875 Ų7568%0.68441%0.405SS*.SBendtrans-71.7150.8165.2-77.8-39.4000110.2
321P87.5Confident80.2Confident52 Ų5275.2 Ų75.234%0.33841%0.412SS..PPolyproline II helixcis-84.4141.80.133.1-32.5000112.2V305 F323 L324V305-P321 WeakPolarHBondContact CB-O 3.38Å; V305-P321 WeakPolarHBondContact CG1-O 3.28Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-F323 PolarHBondContact O-N 2.75Å; P321-L324 HydrophobicContact CB-CD2 4.11Å; P321-L324 HydrophobicContact CG-CD2 3.56Å; P321-L324 HydrophobicContact CG-CG 4.41Å
322K91Very high79.1Confident61 Ų6176.2 Ų76.227%0.26541%0.414SS..SBendtrans-71.5-23.5175.3-67153.3175.4-160.70113.5V305 N408 W409V305-K322 PolarHBondContact N-O 3.09Å; V305-K322 VanDerWaalsContact N-O 3.13Å; V305-K322 VanDerWaalsContact O-O 3.05Å; K322-N408 VanDerWaalsContact CD-O 3.22Å; K322-N408 WeakPolarHBondContact CD-O 3.1Å; K322-N408 WeakPolarHBondContact CE-O 3.13Å; K322-N408 PolarHBondContact NZ-O 2.98Å; K322-W409 PolarHBondContact O-NE1 2.91Å; K322-W409 VanDerWaalsContact O-NE1 3.09Å
323F94.2Very high77.6Confident48 Ų4879.6 Ų79.621%0.21142%0.418CS..EExtended strand (participates in β ladder)trans-159.1158.9174.661.7-92.1000109.3I302 G303 P321 E325 F411 P412I302-F323 HydrophobicContact CG2-CB 3.84Å; I302-F323 HydrophobicContact CG2-CD2 4.06Å; I302-F323 HydrophobicContact CG2-CG 4.22Å; G303-F323 CarbonylContact O-C 3.5Å; G303-F323 VanDerWaalsContact O-CA 3.29Å; G303-F323 WeakPolarHBondContact O-CA 3.23Å; P321-F323 VanDerWaalsContact C-N 3.28Å; P321-F323 PolarHBondContact O-N 2.75Å; F323-E325 HydrophobicContact CD2-CG 3.99Å; F323-E325 HydrophobicContact CE2-CG 3.76Å; F323-E325 WeakPolarHBondContact CE2-OE1 3.49Å; F323-F411 HydrophobicContact CB-CD1 4.34Å; F323-F411 HydrophobicContact CB-CE1 3.88Å; F323-F411 HydrophobicContact CD1-CD1 4.06Å; F323-F411 HydrophobicContact CD1-CE1 4.23Å; F323-F411 HydrophobicContact CG-CD1 4.22Å; F323-F411 HydrophobicContact CG-CE1 4.24Å; F323-P412 HydrophobicContact CE2-CG 4.4Å; F323-P412 HydrophobicContact CZ-CG 3.88Å
324L93.4Very high76.4Confident7 Ų779.4 Ų79.44%0.03742%0.416CS..EExtended strand (participates in β ladder)trans-113.2140.2173.9-62.6176000109.2I302 G303 V305 P321 F326 F328 I343 R357I302-L324 CarbonylContact C-O 3.51Å; I302-L324 VanDerWaalsContact CA-O 3.32Å; I302-L324 WeakPolarHBondContact CA-O 3.44Å; G303-L324 PolarHBondContact N-O 3.37Å; G303-L324 PolarHBondContact O-N 3.08Å; V305-L324 HydrophobicContact CG2-CG 4.18Å; P321-L324 HydrophobicContact CB-CD2 4.11Å; P321-L324 HydrophobicContact CG-CD2 3.56Å; P321-L324 HydrophobicContact CG-CG 4.41Å; L324-F326 HydrophobicContact CB-CE2 3.81Å; L324-F326 HydrophobicContact CB-CZ 3.92Å; L324-F326 HydrophobicContact CD1-CZ 4.03Å; L324-F328 HydrophobicContact CB-CE1 4.32Å; L324-F328 HydrophobicContact CD2-CE1 4.38Å; L324-I343 HydrophobicContact CD1-CG2 4.1Å; L324-R357 HydrophobicContact CD1-CG 3.82Å
325E93.2Very high76.2Confident71 Ų7184.5 Ų84.533%0.33244%0.441SS..EExtended strand (participates in β ladder)trans-103.8128.9173.9-62.9-174.4-142.500110.3I302 F323 F328 I415I302-E325 HydrophobicContact CG1-CG 4.38Å; F323-E325 HydrophobicContact CD2-CG 3.99Å; F323-E325 HydrophobicContact CE2-CG 3.76Å; F323-E325 WeakPolarHBondContact CE2-OE1 3.49Å; E325-F328 WeakPolarHBondContact O-CD1 3.22Å; E325-F328 WeakPolarHBondContact O-CE1 3.26Å; E325-I415 WeakPolarHBondContact OE1-CD1 3.48Å; E325-I415 WeakPolarHBondContact OE2-CD1 3.13Å
326F92.6Very high76.3Confident0 Ų084.5 Ų84.50%044%0.438CS..SBendtrans-115.4143.1177-59.3-79.2000110.3G301 L324 F328 I343 R357 I360 H364 L375 K420G301-F326 WeakPolarHBondContact O-CB 3.26Å; G301-F326 WeakPolarHBondContact O-CD2 3.48Å; G301-F326 PolarHBondContact O-N 3.4Å; L324-F326 HydrophobicContact CB-CE2 3.81Å; L324-F326 HydrophobicContact CB-CZ 3.92Å; L324-F326 HydrophobicContact CD1-CZ 4.03Å; F326-F328 HydrophobicContact CD1-CE1 4.22Å; F326-F328 HydrophobicContact CD1-CE2 4.34Å; F326-F328 HydrophobicContact CD1-CZ 4.09Å; F326-F328 AromaticContact CE1-CE1 3.92Å; F326-F328 HydrophobicContact CE1-CE1 3.92Å; F326-F328 AromaticContact CE1-CE2 3.84Å; F326-F328 HydrophobicContact CE1-CE2 3.84Å; F326-F328 AromaticContact CE1-CZ 3.45Å; F326-F328 HydrophobicContact CE1-CZ 3.45Å; F326-F328 VanDerWaalsContact CE1-CZ 3.45Å; F326-F328 HydrophobicContact CZ-CE1 4.47Å; F326-F328 HydrophobicContact CZ-CZ 4.08Å; F326-I343 HydrophobicContact CZ-CG1 4.41Å; F326-R357 HydrophobicContact CE1-CB 4.14Å; F326-R357 VanDerWaalsContact CE1-O 3.29Å; F326-R357 WeakPolarHBondContact CE1-O 3.35Å; F326-R357 HydrophobicContact CZ-CB 4.39Å; F326-R357 HydrophobicContact CZ-CG 4.42Å; F326-I360 HydrophobicContact CB-CG2 4.42Å; F326-I360 HydrophobicContact CD1-CB 4.22Å; F326-I360 HydrophobicContact CD1-CG2 3.9Å; F326-I360 HydrophobicContact CD2-CG2 3.99Å; F326-I360 HydrophobicContact CE1-CB 4.1Å; F326-I360 HydrophobicContact CE1-CG2 4.1Å; F326-I360 HydrophobicContact CE2-CG2 4.19Å; F326-I360 HydrophobicContact CG-CG2 3.83Å; F326-I360 HydrophobicContact CZ-CB 4.42Å; F326-I360 HydrophobicContact CZ-CG2 4.24Å; F326-H364 WeakPolarHBondContact CB-CD2 3.47Å; F326-L375 HydrophobicContact CD2-CD1 4.29Å; F326-L375 HydrophobicContact CD2-CD2 3.86Å; F326-L375 HydrophobicContact CE2-CD2 3.86Å; F326-K420 VanDerWaalsContact O-CD 3.27Å; F326-K420 WeakPolarHBondContact O-CD 3.3Å; F326-K420 PolarHBondContact O-NZ 2.84Å
327P91.7Very high77Confident46 Ų4690.2 Ų90.230%0.29946%0.46SS..SBendcis-66.5155-1033.6-34.7000110.7H364 I365P327-H364 HydrophobicContact CB-CB 3.98Å; P327-H364 HydrophobicContact CG-CB 4.33Å; P327-I365 HydrophobicContact CB-CD1 4.25Å; P327-I365 HydrophobicContact CB-CG1 3.61Å; P327-I365 HydrophobicContact CG-CG1 4.29Å
328F88.5Confident77.5Confident26 Ų2686.8 Ų86.811%0.11444%0.442CS..PPolyproline II helixtrans-63.8142.8171.6-64.1-47.6000109.8L324 E325 F326 Y332 R357 S361L324-F328 HydrophobicContact CB-CE1 4.32Å; L324-F328 HydrophobicContact CD2-CE1 4.38Å; E325-F328 WeakPolarHBondContact O-CD1 3.22Å; E325-F328 WeakPolarHBondContact O-CE1 3.26Å; F326-F328 HydrophobicContact CD1-CE1 4.22Å; F326-F328 HydrophobicContact CD1-CE2 4.34Å; F326-F328 HydrophobicContact CD1-CZ 4.09Å; F326-F328 AromaticContact CE1-CE1 3.92Å; F326-F328 HydrophobicContact CE1-CE1 3.92Å; F326-F328 AromaticContact CE1-CE2 3.84Å; F326-F328 HydrophobicContact CE1-CE2 3.84Å; F326-F328 AromaticContact CE1-CZ 3.45Å; F326-F328 HydrophobicContact CE1-CZ 3.45Å; F326-F328 VanDerWaalsContact CE1-CZ 3.45Å; F326-F328 HydrophobicContact CZ-CE1 4.47Å; F326-F328 HydrophobicContact CZ-CZ 4.08Å; F328-Y332 HydrophobicContact CB-CD1 4.37Å; F328-Y332 HydrophobicContact CB-CD2 4.36Å; F328-Y332 HydrophobicContact CB-CG 3.95Å; F328-Y332 HydrophobicContact CD1-CD2 4.24Å; F328-Y332 HydrophobicContact CD1-CE2 4.26Å; F328-Y332 HydrophobicContact CD1-CG 4.46Å; F328-Y332 HydrophobicContact CD2-CD1 4.4Å; F328-Y332 HydrophobicContact CG-CD1 4.27Å; F328-Y332 HydrophobicContact CG-CD2 4.41Å; F328-Y332 HydrophobicContact CG-CG 4.18Å; F328-R357 HydrophobicContact CE2-CB 3.77Å; F328-R357 HydrophobicContact CZ-CB 3.85Å; F328-R357 HydrophobicContact CZ-CG 4.41Å; F328-S361 PolarHBondContact N-OG 3.19Å
329E81.7Confident77.8Confident143 Ų14386.4 Ų86.467%0.66844%0.439SS*.PPolyproline II helixtrans-59.1151.6174.8-65-173.1174.900111.1S331 Y332E329-S331 WeakPolarHBondContact CB-OG 2.91Å; E329-S331 PolarHBondContact O-N 3.38Å; E329-S331 VanDerWaalsContact O-N 3.09Å; E329-S331 PolarHBondContact OE2-OG 2.88Å; E329-Y332 WeakPolarHBondContact O-CB 3.37Å; E329-Y332 PolarHBondContact O-N 2.85Å
330E68.7Low78.2Confident209 Ų20990.4 Ų90.498%0.97744%0.444SS*.THydrogen-bonded Turntrans-58-25.3175-66-177.5172.100112.6Y332E330-Y332 PolarHBondContact O-N 2.85Å
331S61.6Low78.7Confident82 Ų8287.8 Ų87.857%0.57343%0.43SS*.THydrogen-bonded Turntrans-71.2-15175.267.70000113.4E329 K333E329-S331 WeakPolarHBondContact CB-OG 2.91Å; E329-S331 PolarHBondContact O-N 3.38Å; E329-S331 VanDerWaalsContact O-N 3.09Å; E329-S331 PolarHBondContact OE2-OG 2.88Å; S331-K333 PolarHBondContact O-N 3.37Å
332Y60.8Low79.1Confident87 Ų8786.7 Ų86.734%0.34142%0.423SS..  trans-68.385.8178.9-154.3-84.9000108.4F328 E329 E330 L334F328-Y332 HydrophobicContact CB-CD1 4.37Å; F328-Y332 HydrophobicContact CB-CD2 4.36Å; F328-Y332 HydrophobicContact CB-CG 3.95Å; F328-Y332 HydrophobicContact CD1-CD2 4.24Å; F328-Y332 HydrophobicContact CD1-CE2 4.26Å; F328-Y332 HydrophobicContact CD1-CG 4.46Å; F328-Y332 HydrophobicContact CD2-CD1 4.4Å; F328-Y332 HydrophobicContact CG-CD1 4.27Å; F328-Y332 HydrophobicContact CG-CD2 4.41Å; F328-Y332 HydrophobicContact CG-CG 4.18Å; E329-Y332 WeakPolarHBondContact O-CB 3.37Å; E329-Y332 PolarHBondContact O-N 2.85Å; E330-Y332 PolarHBondContact O-N 2.85Å; Y332-L334 PolarHBondContact O-N 2.86Å
333K52.8Low79.4Confident191 Ų19183.8 Ų83.883%0.8341%0.41SS*.  trans-59106.2174.7-74.5-176.5178.8-179.20107.3S331 D335S331-K333 PolarHBondContact O-N 3.37Å; K333-D335 PolarHBondContact O-N 2.91Å
334L52.2Low79.4Confident78 Ų7882.4 Ų82.441%0.40841%0.405SS..  trans-54.180.4161.5-74.7145.9000109.2Y332 T336 C339 M358Y332-L334 PolarHBondContact O-N 2.86Å; L334-T336 WeakPolarHBondContact O-CG2 3.34Å; L334-T336 PolarHBondContact O-N 2.78Å; L334-C339 HydrophobicContact CD2-CB 3.32Å; L334-C339 WeakPolarHBondContact CD2-SG 3.31Å; L334-M358 HydrophobicContact CD1-CE 3.59Å; L334-M358 HydrophobicContact CD2-CE 3.28Å; L334-M358 HydrophobicContact CG-CE 3.93Å
335D56.9Low79.3Confident146 Ų14690 Ų9078%0.78144%0.439SS*.  trans-67.8110.5146.4-95-15.9000105.2K333 E337K333-D335 PolarHBondContact O-N 2.91Å; D335-E337 PolarHBondContact O-N 2.62Å
336T62.9Low79.4Confident97 Ų9790 Ų9060%0.59546%0.458SS*.THydrogen-bonded Turntrans-66.7-7.3-137.536.80000116.9L334 Y340L334-T336 WeakPolarHBondContact O-CG2 3.34Å; L334-T336 PolarHBondContact O-N 2.78Å; T336-Y340 WeakPolarHBondContact O-CD2 3.2Å; T336-Y340 WeakPolarHBondContact O-CE2 3.41Å
337E78.4Confident79.6Confident160 Ų16090.3 Ų90.375%0.74846%0.461SS*.THydrogen-bonded Turntrans-95.8-36.6-172.1-63.7-172.1172.700113.4D335 C339 Y340D335-E337 PolarHBondContact O-N 2.62Å; E337-C339 PolarHBondContact O-N 3.43Å; E337-Y340 PolarHBondContact O-N 3.14Å; E337-Y340 VanDerWaalsContact O-N 3.11Å
338E80Confident79.8Confident105 Ų10591.6 Ų91.649%0.49147%0.465SS..G310 helixtrans-65.2-29.6-174.1-69.2-163.6167.500113.3Y340 L341E338-Y340 PolarHBondContact O-N 3.04Å; E338-L341 HydrophobicContact CB-CD1 4.24Å; E338-L341 HydrophobicContact CG-CD1 4.25Å; E338-L341 VanDerWaalsContact O-CB 3.25Å; E338-L341 WeakPolarHBondContact O-CB 3.37Å; E338-L341 PolarHBondContact O-N 3.32Å
339C83.1Confident80.3Confident3 Ų390.6 Ų90.62%0.0246%0.461CS..G310 helixtrans-71-18.9-179.2-65.60000112.7L334 E337 T356 M358L334-C339 HydrophobicContact CD2-CB 3.32Å; L334-C339 WeakPolarHBondContact CD2-SG 3.31Å; E337-C339 PolarHBondContact O-N 3.43Å; C339-T356 WeakPolarHBondContact O-CB 3.33Å; C339-M358 HydrophobicContact CB-CB 4.07Å; C339-M358 VanDerWaalsContact O-CB 3.28Å; C339-M358 WeakPolarHBondContact O-CB 3.33Å; C339-M358 PolarHBondContact O-N 3.09Å
340Y88.9Confident81.1Confident158 Ų15888.8 Ų88.862%0.6245%0.451SS*.G310 helixtrans-92.31.1172.3-58.6-74.2000113.2T336 E337 E338 T356T336-Y340 WeakPolarHBondContact O-CD2 3.2Å; T336-Y340 WeakPolarHBondContact O-CE2 3.41Å; E337-Y340 PolarHBondContact O-N 3.14Å; E337-Y340 VanDerWaalsContact O-N 3.11Å; E338-Y340 PolarHBondContact O-N 3.04Å; Y340-T356 WeakPolarHBondContact O-CG2 3.37Å
341L92.7Very high82.5Confident73 Ų7378.8 Ų78.838%0.38241%0.405SS..SBendtrans-76.2157.2170.7-60.4176.4000111E338 T356 R357E338-L341 HydrophobicContact CB-CD1 4.24Å; E338-L341 HydrophobicContact CG-CD1 4.25Å; E338-L341 VanDerWaalsContact O-CB 3.25Å; E338-L341 WeakPolarHBondContact O-CB 3.37Å; E338-L341 PolarHBondContact O-N 3.32Å; L341-T356 CarbonylContact O-C 3.56Å; L341-T356 WeakPolarHBondContact O-CA 3.22Å; L341-R357 WeakPolarHBondContact O-CG 3.39Å; L341-R357 PolarHBondContact O-N 3.31Å
342P96.5Very high84.2Confident29 Ų2975.6 Ų75.619%0.18838%0.382CS..  trans-63.9170.2165.629.3-36.7000111.5Q344 C352 R357P342-Q344 VanDerWaalsContact C-N 3.25Å; P342-Q344 PolarHBondContact O-N 3.25Å; P342-C352 HydrophobicContact CB-CB 3.74Å; P342-C352 WeakPolarHBondContact CB-O 3.18Å; P342-R357 PolarHBondContact O-NE 3.09Å
343I96.3Very high86Confident0 Ų076.6 Ų76.60%039%0.393CS..SBendtrans-51.9-49.8174.9-60175.3000110V305 L324 F326 T351 R357 I360 L375 H378V305-I343 HydrophobicContact CG2-CG2 4.43Å; L324-I343 HydrophobicContact CD1-CG2 4.1Å; F326-I343 HydrophobicContact CZ-CG1 4.41Å; I343-T351 HydrophobicContact CD1-CG2 3.86Å; I343-R357 PolarHBondContact O-NE 2.82Å; I343-R357 PolarHBondContact O-NH2 2.85Å; I343-I360 HydrophobicContact CD1-CD1 3.64Å; I343-I360 HydrophobicContact CG1-CD1 3.65Å; I343-L375 HydrophobicContact CD1-CD2 3.9Å; I343-H378 HydrophobicContact CD1-CB 3.91Å; I343-H378 WeakPolarHBondContact CG2-NE2 3.37Å
344Q94.8Very high88.1Confident20 Ų2073.2 Ų73.29%0.09338%0.38CS..SBendtrans-132.2128.7178.4178.2176.1-31.800110.6V305 Y306 P342 C347V305-Q344 HydrophobicContact CG1-CB 4.47Å; V305-Q344 HydrophobicContact CG1-CG 4.24Å; Y306-Q344 VanDerWaalsContact O-CD 3.31Å; Y306-Q344 PolarHBondContact O-NE2 3.31Å; Y306-Q344 PolarHBondContact O-OE1 3.47Å; P342-Q344 VanDerWaalsContact C-N 3.25Å; P342-Q344 PolarHBondContact O-N 3.25Å; Q344-C347 HydrophobicContact CB-CB 4.1Å; Q344-C347 HydrophobicContact CG-CB 4.38Å; Q344-C347 WeakPolarHBondContact O-CB 3.32Å; Q344-C347 PolarHBondContact O-N 2.82Å
345H92.1Very high90.3Very high166 Ų16671.4 Ų71.477%0.76937%0.369SS*.THydrogen-bonded Turntrans-61.9136.7175.6-175.4-88.1000111C347H345-C347 PolarHBondContact O-N 3.3Å
346G93.8Very high92.1Very high70 Ų7066.2 Ų66.272%0.72234%0.342SS*.THydrogen-bonded Turntrans76.2-3.1-179.600000115.6N348G346-N348 PolarHBondContact O-N 3.47Å
347C96.9Very high93.7Very high8 Ų862.6 Ų62.65%0.05432%0.318CS..  trans-69.5128.9172.9177.70000110.6Q344 H345 C349 C352 Q382Q344-C347 HydrophobicContact CB-CB 4.1Å; Q344-C347 HydrophobicContact CG-CB 4.38Å; Q344-C347 WeakPolarHBondContact O-CB 3.32Å; Q344-C347 PolarHBondContact O-N 2.82Å; H345-C347 PolarHBondContact O-N 3.3Å; C347-C349 PolarHBondContact SG-N 3.1Å; C347-C349 PolarHBondContact SG-SG 3.28Å; C347-C352 HydrophobicContact CB-CB 3.7Å; C347-C352 WeakPolarHBondContact O-CB 3.05Å; C347-C352 VanDerWaalsContact SG-SG 3.65Å; C347-Q382 PolarHBondContact SG-NE2 3.06Å
348N96.8Very high94.3Very high72 Ų7257.7 Ų57.739%0.38530%0.296SS..  trans-95.611.2-179.767.1-23000113.3E56 G346 L353 H381E56-N348 PolarHBondContact OE1-ND2 3.32Å; E56-N348 VanDerWaalsContact OE1-ND2 3.15Å; E56-N348 PolarHBondContact OE2-ND2 3.3Å; G346-N348 PolarHBondContact O-N 3.47Å; N348-L353 VanDerWaalsContact O-CD1 3.23Å; N348-L353 WeakPolarHBondContact O-CD1 3.33Å; N348-H381 PolarHBondContact OD1-CE1 3.35Å; N348-H381 PolarHBondContact OD1-NE2 3.33Å
349C98.2Very high95.1Very high6 Ų656.8 Ų56.84%0.04129%0.289CS..SBendtrans-68.7153.8174.785.30000110.8C347 T351 C352 L353 H378 H381C347-C349 PolarHBondContact SG-N 3.1Å; C347-C349 PolarHBondContact SG-SG 3.28Å; C349-T351 PolarHBondContact O-N 3.25Å; C349-T351 VanDerWaalsContact O-N 3.12Å; C349-C352 PolarHBondContact O-N 2.69Å; C349-C352 PolarHBondContact SG-N 3.21Å; C349-C352 VanDerWaalsContact SG-N 3.4Å; C349-L353 WeakPolarHBondContact O-CG 3.5Å; C349-L353 PolarHBondContact O-N 3.04Å; C349-H378 PolarHBondContact SG-ND1 3.09Å; C349-H381 HydrophobicContact CB-CB 3.87Å
350F98.1Very high95.7Very high104 Ų10456.7 Ų56.746%0.45629%0.288SS..Hα-helixtrans-49.2-43.8180179.1-90.1000112.7L353 H354 H355 L374 I377F350-L353 PolarHBondContact O-N 3.49Å; F350-H354 AromaticContact CD2-CD2 3.47Å; F350-H354 VanDerWaalsContact CD2-CD2 3.47Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.47Å; F350-H354 AromaticContact CD2-NE2 3.92Å; F350-H354 AromaticContact CE2-CD2 3.48Å; F350-H354 VanDerWaalsContact CE2-CD2 3.48Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.46Å; F350-H354 AromaticContact CE2-NE2 3.93Å; F350-H354 AromaticContact CG-CD2 3.95Å; F350-H354 AromaticContact CZ-CD2 3.96Å; F350-H354 PolarHBondContact O-CD2 3.13Å; F350-H354 PolarHBondContact O-N 3.45Å; F350-H355 AromaticContact CE1-NE2 3.76Å; F350-L374 HydrophobicContact CD1-CD2 4.19Å; F350-L374 HydrophobicContact CE1-CD2 4.18Å; F350-I377 HydrophobicContact CB-CG2 4.1Å; F350-I377 HydrophobicContact CD1-CD1 4.23Å
351T98.4Very high95.9Very high0 Ų049.3 Ų49.30%026%0.259CS..Hα-helixtrans-60.8-47.8179.7-55.10000112.4I343 C349 L353 H354 H355 I360 L374 H378I343-T351 HydrophobicContact CD1-CG2 3.86Å; C349-T351 PolarHBondContact O-N 3.25Å; C349-T351 VanDerWaalsContact O-N 3.12Å; T351-L353 VanDerWaalsContact C-N 3.34Å; T351-H354 PolarHBondContact O-N 3.05Å; T351-H355 WeakPolarHBondContact O-CA 3.02Å; T351-H355 WeakPolarHBondContact O-CB 3.38Å; T351-H355 PolarHBondContact O-N 3.14Å; T351-I360 HydrophobicContact CG2-CD1 3.65Å; T351-L374 HydrophobicContact CG2-CB 3.82Å; T351-L374 HydrophobicContact CG2-CD2 4.37Å; T351-L374 WeakPolarHBondContact OG1-CA 3.4Å; T351-L374 PolarHBondContact OG1-O 2.89Å; T351-H378 HydrophobicContact CG2-CB 4.47Å
352C98.2Very high95.9Very high14 Ų1450.9 Ų50.910%0.09526%0.264CS..Hα-helixtrans-74.1-24.6-178.8-70.90000113P342 C347 C349 H378P342-C352 HydrophobicContact CB-CB 3.74Å; P342-C352 WeakPolarHBondContact CB-O 3.18Å; C347-C352 HydrophobicContact CB-CB 3.7Å; C347-C352 WeakPolarHBondContact O-CB 3.05Å; C347-C352 VanDerWaalsContact SG-SG 3.65Å; C349-C352 PolarHBondContact O-N 2.69Å; C349-C352 PolarHBondContact SG-N 3.21Å; C349-C352 VanDerWaalsContact SG-N 3.4Å; C352-H378 PolarHBondContact SG-ND1 3.19Å; C352-H378 VanDerWaalsContact SG-ND1 3.41Å
353L97.7Very high95.8Very high109 Ų10949.9 Ų49.957%0.57126%0.258SS*.Hα-helixtrans-76.9-25.3176.2-69.3177.8000113.6N348 C349 F350 T351N348-L353 VanDerWaalsContact O-CD1 3.23Å; N348-L353 WeakPolarHBondContact O-CD1 3.33Å; C349-L353 WeakPolarHBondContact O-CG 3.5Å; C349-L353 PolarHBondContact O-N 3.04Å; F350-L353 PolarHBondContact O-N 3.49Å; T351-L353 VanDerWaalsContact C-N 3.34Å
354H97.8Very high95.6Very high120 Ų12050.8 Ų50.856%0.55626%0.262SS*.Hα-helixtrans-125.1-15.8-168.5-62.6-59.6000115.3F350 T351F350-H354 AromaticContact CD2-CD2 3.47Å; F350-H354 VanDerWaalsContact CD2-CD2 3.47Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.47Å; F350-H354 AromaticContact CD2-NE2 3.92Å; F350-H354 AromaticContact CE2-CD2 3.48Å; F350-H354 VanDerWaalsContact CE2-CD2 3.48Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.46Å; F350-H354 AromaticContact CE2-NE2 3.93Å; F350-H354 AromaticContact CG-CD2 3.95Å; F350-H354 AromaticContact CZ-CD2 3.96Å; F350-H354 PolarHBondContact O-CD2 3.13Å; F350-H354 PolarHBondContact O-N 3.45Å; T351-H354 PolarHBondContact O-N 3.05Å
355H97.5Very high95.4Very high39 Ų3955.3 Ų55.318%0.18129%0.285CS..  trans-133.1151.8-171.5-59.7-63.5000112.4F350 T351 Y359 L374F350-H355 AromaticContact CE1-NE2 3.76Å; T351-H355 WeakPolarHBondContact O-CA 3.02Å; T351-H355 WeakPolarHBondContact O-CB 3.38Å; T351-H355 PolarHBondContact O-N 3.14Å; H355-Y359 HydrophobicContact CB-CD1 3.94Å; H355-Y359 AromaticContact CE1-CE1 3.67Å; H355-Y359 AromaticContact CG-CD1 3.81Å; H355-Y359 AromaticContact ND1-CD1 3.31Å; H355-Y359 VanDerWaalsContact ND1-CD1 3.31Å; H355-Y359 WeakPolarHBondContact ND1-CD1 3.23Å; H355-Y359 AromaticContact ND1-CE1 3.23Å; H355-Y359 WeakPolarHBondContact ND1-CE1 3.19Å; H355-L374 HydrophobicContact CB-CD1 4.28Å; H355-L374 VanDerWaalsContact CD2-CD2 3.43Å; H355-L374 WeakPolarHBondContact CD2-CD2 3.15Å
356T95.6Very high95.3Very high37 Ų3749.6 Ų49.623%0.22727%0.267CS..  trans-102.8160.9179.968.90000111.1C339 Y340 L341 M358 Y359 I360C339-T356 WeakPolarHBondContact O-CB 3.33Å; Y340-T356 WeakPolarHBondContact O-CG2 3.37Å; L341-T356 CarbonylContact O-C 3.56Å; L341-T356 WeakPolarHBondContact O-CA 3.22Å; T356-M358 VanDerWaalsContact C-N 3.27Å; T356-M358 PolarHBondContact O-N 3.4Å; T356-Y359 PolarHBondContact O-N 2.84Å; T356-Y359 VanDerWaalsContact O-N 3.17Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.28Å; T356-Y359 PolarHBondContact OG1-N 3.41Å; T356-Y359 VanDerWaalsContact OG1-N 3.16Å; T356-I360 WeakPolarHBondContact O-CG1 3.22Å; T356-I360 PolarHBondContact O-N 3.48Å; T356-I360 VanDerWaalsContact O-N 3.11Å
357R95Very high95.2Very high22 Ų2252 Ų528%0.08326%0.259CS..Hα-helixtrans-54.9-43.8172.7-67.3168.4-176.2-172.1-7111.7L324 F326 F328 L341 P342 I343 Y359 I360 S361L324-R357 HydrophobicContact CD1-CG 3.82Å; F326-R357 HydrophobicContact CE1-CB 4.14Å; F326-R357 VanDerWaalsContact CE1-O 3.29Å; F326-R357 WeakPolarHBondContact CE1-O 3.35Å; F326-R357 HydrophobicContact CZ-CB 4.39Å; F326-R357 HydrophobicContact CZ-CG 4.42Å; F328-R357 HydrophobicContact CE2-CB 3.77Å; F328-R357 HydrophobicContact CZ-CB 3.85Å; F328-R357 HydrophobicContact CZ-CG 4.41Å; L341-R357 WeakPolarHBondContact O-CG 3.39Å; L341-R357 PolarHBondContact O-N 3.31Å; P342-R357 PolarHBondContact O-NE 3.09Å; I343-R357 PolarHBondContact O-NE 2.82Å; I343-R357 PolarHBondContact O-NH2 2.85Å; R357-Y359 VanDerWaalsContact C-N 3.33Å; R357-Y359 PolarHBondContact O-N 3.28Å; R357-I360 PolarHBondContact O-N 3.44Å; R357-S361 WeakPolarHBondContact O-CB 3.29Å; R357-S361 PolarHBondContact O-N 3.31Å
358M92.4Very high95.1Very high57 Ų5756.8 Ų56.828%0.28128%0.281SS..Hα-helixtrans-61.5-42.4177.6-176.754.2106.400112.1L334 C339 T356 I360 S361 H362L334-M358 HydrophobicContact CD1-CE 3.59Å; L334-M358 HydrophobicContact CD2-CE 3.28Å; L334-M358 HydrophobicContact CG-CE 3.93Å; C339-M358 HydrophobicContact CB-CB 4.07Å; C339-M358 VanDerWaalsContact O-CB 3.28Å; C339-M358 WeakPolarHBondContact O-CB 3.33Å; C339-M358 PolarHBondContact O-N 3.09Å; T356-M358 VanDerWaalsContact C-N 3.27Å; T356-M358 PolarHBondContact O-N 3.4Å; M358-I360 VanDerWaalsContact C-N 3.34Å; M358-I360 PolarHBondContact O-N 3.46Å; M358-S361 WeakPolarHBondContact O-CB 3.48Å; M358-S361 PolarHBondContact O-N 3.48Å; M358-H362 WeakPolarHBondContact O-CB 3.47Å; M358-H362 PolarHBondContact O-N 3.36Å
359Y95.6Very high95Very high86 Ų8658.1 Ų58.134%0.33729%0.286SS..Hα-helixtrans-62.4-44179.1-178.9-113.1000111.2H355 T356 R357 S361 H362 L363 L370 L374H355-Y359 HydrophobicContact CB-CD1 3.94Å; H355-Y359 AromaticContact CE1-CE1 3.67Å; H355-Y359 AromaticContact CG-CD1 3.81Å; H355-Y359 AromaticContact ND1-CD1 3.31Å; H355-Y359 VanDerWaalsContact ND1-CD1 3.31Å; H355-Y359 WeakPolarHBondContact ND1-CD1 3.23Å; H355-Y359 AromaticContact ND1-CE1 3.23Å; H355-Y359 WeakPolarHBondContact ND1-CE1 3.19Å; T356-Y359 PolarHBondContact O-N 2.84Å; T356-Y359 VanDerWaalsContact O-N 3.17Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.28Å; T356-Y359 PolarHBondContact OG1-N 3.41Å; T356-Y359 VanDerWaalsContact OG1-N 3.16Å; R357-Y359 VanDerWaalsContact C-N 3.33Å; R357-Y359 PolarHBondContact O-N 3.28Å; Y359-S361 PolarHBondContact O-N 2.86Å; Y359-H362 WeakPolarHBondContact O-CB 3.41Å; Y359-H362 PolarHBondContact O-N 2.66Å; Y359-L363 HydrophobicContact CD1-CD1 3.93Å; Y359-L363 HydrophobicContact CD1-CG 4.46Å; Y359-L363 HydrophobicContact CE1-CD1 3.51Å; Y359-L363 HydrophobicContact CE1-CG 4.15Å; Y359-L363 HydrophobicContact CE2-CD2 4.26Å; Y359-L363 HydrophobicContact CE2-CG 4.3Å; Y359-L363 WeakPolarHBondContact O-CG 3.46Å; Y359-L363 PolarHBondContact O-N 3.13Å; Y359-L370 HydrophobicContact CE1-CD2 4.37Å; Y359-L374 HydrophobicContact CD1-CD1 4.4Å; Y359-L374 HydrophobicContact CE1-CD1 4.2Å
360I96.3Very high95Very high0 Ų060.7 Ų60.70%030%0.299CS..Hα-helixtrans-63.7-42.6176.3-61.6168.9000111.1F326 I343 T351 T356 R357 M358 H362 L363 H364 L374 L375F326-I360 HydrophobicContact CB-CG2 4.42Å; F326-I360 HydrophobicContact CD1-CB 4.22Å; F326-I360 HydrophobicContact CD1-CG2 3.9Å; F326-I360 HydrophobicContact CD2-CG2 3.99Å; F326-I360 HydrophobicContact CE1-CB 4.1Å; F326-I360 HydrophobicContact CE1-CG2 4.1Å; F326-I360 HydrophobicContact CE2-CG2 4.19Å; F326-I360 HydrophobicContact CG-CG2 3.83Å; F326-I360 HydrophobicContact CZ-CB 4.42Å; F326-I360 HydrophobicContact CZ-CG2 4.24Å; I343-I360 HydrophobicContact CD1-CD1 3.64Å; I343-I360 HydrophobicContact CG1-CD1 3.65Å; T351-I360 HydrophobicContact CG2-CD1 3.65Å; T356-I360 WeakPolarHBondContact O-CG1 3.22Å; T356-I360 PolarHBondContact O-N 3.48Å; T356-I360 VanDerWaalsContact O-N 3.11Å; R357-I360 PolarHBondContact O-N 3.44Å; M358-I360 VanDerWaalsContact C-N 3.34Å; M358-I360 PolarHBondContact O-N 3.46Å; I360-H362 PolarHBondContact O-N 3.41Å; I360-L363 PolarHBondContact O-N 3.3Å; I360-H364 PolarHBondContact O-N 2.71Å; I360-L374 HydrophobicContact CG1-CD1 4.23Å; I360-L375 HydrophobicContact CG2-CD2 4.09Å; I360-L375 HydrophobicContact CG2-CG 4.26Å
361S93.6Very high94.9Very high4 Ų455.8 Ų55.83%0.02828%0.278CS..Hα-helixtrans-58.6-47.4174.3-170.30000111.4F328 R357 M358 Y359 L363 H364 I365F328-S361 PolarHBondContact N-OG 3.19Å; R357-S361 WeakPolarHBondContact O-CB 3.29Å; R357-S361 PolarHBondContact O-N 3.31Å; M358-S361 WeakPolarHBondContact O-CB 3.48Å; M358-S361 PolarHBondContact O-N 3.48Å; Y359-S361 PolarHBondContact O-N 2.86Å; S361-L363 PolarHBondContact O-N 2.99Å; S361-H364 WeakPolarHBondContact O-CB 3.45Å; S361-H364 PolarHBondContact O-N 3.4Å; S361-H364 VanDerWaalsContact O-N 3.17Å; S361-I365 WeakPolarHBondContact O-CG1 3.23Å; S361-I365 PolarHBondContact O-N 3.06Å
362H92.2Very high94.8Very high105 Ų10556 Ų5649%0.48628%0.279SS..Hα-helixtrans-59-44.3176.2171.668000112.1M358 Y359 I360 H364 I365 A366M358-H362 WeakPolarHBondContact O-CB 3.47Å; M358-H362 PolarHBondContact O-N 3.36Å; Y359-H362 WeakPolarHBondContact O-CB 3.41Å; Y359-H362 PolarHBondContact O-N 2.66Å; I360-H362 PolarHBondContact O-N 3.41Å; H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 2.99Å; H362-I365 PolarHBondContact O-N 3.4Å; H362-A366 VanDerWaalsContact O-CB 3.32Å; H362-A366 WeakPolarHBondContact O-CB 3.27Å; H362-A366 PolarHBondContact O-N 3.36Å
363L94.9Very high94.8Very high9 Ų957.7 Ų57.75%0.04729%0.286CS..Hα-helixtrans-61.2-38.7176.6-68.7173.2000112Y359 I360 S361 A366 Q367 E368 L370 A371 L374Y359-L363 HydrophobicContact CD1-CD1 3.93Å; Y359-L363 HydrophobicContact CD1-CG 4.46Å; Y359-L363 HydrophobicContact CE1-CD1 3.51Å; Y359-L363 HydrophobicContact CE1-CG 4.15Å; Y359-L363 HydrophobicContact CE2-CD2 4.26Å; Y359-L363 HydrophobicContact CE2-CG 4.3Å; Y359-L363 WeakPolarHBondContact O-CG 3.46Å; Y359-L363 PolarHBondContact O-N 3.13Å; I360-L363 PolarHBondContact O-N 3.3Å; S361-L363 PolarHBondContact O-N 2.99Å; L363-A366 CarbonylContact O-C 3.57Å; L363-A366 PolarHBondContact O-N 3.05Å; L363-Q367 PolarHBondContact O-N 3.16Å; L363-E368 HydrophobicContact CB-CB 4.24Å; L363-E368 HydrophobicContact CD2-CB 3.78Å; L363-E368 HydrophobicContact CD2-CG 4.12Å; L363-E368 PolarHBondContact O-N 3.18Å; L363-L370 HydrophobicContact CD1-CB 4Å; L363-L370 HydrophobicContact CD1-CD2 3.87Å; L363-L370 HydrophobicContact CD1-CG 3.79Å; L363-L370 HydrophobicContact CD2-CB 4.4Å; L363-L370 HydrophobicContact CD2-CD2 4.32Å; L363-A371 HydrophobicContact CB-CB 3.59Å; L363-L374 HydrophobicContact CD1-CD1 3.86Å
364H91.7Very high94.9Very high19 Ų1952.6 Ų52.69%0.08826%0.259CS..Hα-helixtrans-64.4-43.2173.2-92.3-72.9000112.4F326 P327 I360 S361 H362 A366 Q367 A371 L375F326-H364 WeakPolarHBondContact CB-CD2 3.47Å; P327-H364 HydrophobicContact CB-CB 3.98Å; P327-H364 HydrophobicContact CG-CB 4.33Å; I360-H364 PolarHBondContact O-N 2.71Å; S361-H364 WeakPolarHBondContact O-CB 3.45Å; S361-H364 PolarHBondContact O-N 3.4Å; S361-H364 VanDerWaalsContact O-N 3.17Å; H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 2.99Å; H364-A366 VanDerWaalsContact C-N 3.32Å; H364-A366 PolarHBondContact O-N 3.12Å; H364-Q367 PolarHBondContact O-N 3.28Å; H364-Q367 VanDerWaalsContact O-N 3.12Å; H364-A371 HydrophobicContact CB-CB 4.49Å; H364-A371 VanDerWaalsContact CD2-CB 3.45Å; H364-A371 WeakPolarHBondContact CD2-CB 3.32Å; H364-L375 WeakPolarHBondContact NE2-CD1 3.4Å
365I90.3Very high94.9Very high114 Ų11446.9 Ų46.959%0.58523%0.233SC*.Hα-helixtrans-61.7-42.6175.5-65.8167000110.7P327 S361 H362 Q367P327-I365 HydrophobicContact CB-CD1 4.25Å; P327-I365 HydrophobicContact CB-CG1 3.61Å; P327-I365 HydrophobicContact CG-CG1 4.29Å; S361-I365 WeakPolarHBondContact O-CG1 3.23Å; S361-I365 PolarHBondContact O-N 3.06Å; H362-I365 PolarHBondContact O-N 3.4Å; I365-Q367 PolarHBondContact O-N 2.67Å
366A91.3Very high94.9Very high47 Ų4745.2 Ų45.239%0.38823%0.226SC..THydrogen-bonded Turntrans-74-4.8177.800000113.4H362 L363 H364 E368H362-A366 VanDerWaalsContact O-CB 3.32Å; H362-A366 WeakPolarHBondContact O-CB 3.27Å; H362-A366 PolarHBondContact O-N 3.36Å; L363-A366 CarbonylContact O-C 3.57Å; L363-A366 PolarHBondContact O-N 3.05Å; H364-A366 VanDerWaalsContact C-N 3.32Å; H364-A366 PolarHBondContact O-N 3.12Å; A366-E368 HydrophobicContact CB-CG 4.03Å; A366-E368 PolarHBondContact O-N 2.95Å
367Q91.4Very high95.1Very high119 Ų11944.1 Ų44.156%0.55622%0.218SC*.THydrogen-bonded Turntrans58.334.2-177.2-53-171.9-39.100113.4L363 H364 I365 E423L363-Q367 PolarHBondContact O-N 3.16Å; H364-Q367 PolarHBondContact O-N 3.28Å; H364-Q367 VanDerWaalsContact O-N 3.12Å; I365-Q367 PolarHBondContact O-N 2.67Å; Q367-E423 PolarHBondContact NE2-O 2.87Å; Q367-E423 VanDerWaalsContact NE2-O 3.09Å
368E94.9Very high95.3Very high109 Ų10943 Ų4351%0.50921%0.214SC..  trans-84.1129.6179.5-76.8-68.4165.400111.3L363 A366 L370 A371L363-E368 HydrophobicContact CB-CB 4.24Å; L363-E368 HydrophobicContact CD2-CB 3.78Å; L363-E368 HydrophobicContact CD2-CG 4.12Å; L363-E368 PolarHBondContact O-N 3.18Å; A366-E368 HydrophobicContact CB-CG 4.03Å; A366-E368 PolarHBondContact O-N 2.95Å; E368-L370 PolarHBondContact O-N 2.78Å; E368-A371 WeakPolarHBondContact O-CB 3.44Å; E368-A371 PolarHBondContact O-N 2.88Å
369M94.8Very high95.6Very high100 Ų10040.3 Ų40.349%0.49320%0.201SC..THydrogen-bonded Turntrans-62.2-15.2178.8-75.5-57.9-56.600113.6F46 A371 P372 M373F46-M369 HydrophobicContact CD1-CE 3.87Å; F46-M369 HydrophobicContact CE1-CE 4.16Å; M369-A371 PolarHBondContact O-N 3.17Å; M369-P372 HydrophobicContact CE-CG 3.93Å; M369-P372 VanDerWaalsContact O-CD 3.23Å; M369-P372 WeakPolarHBondContact O-CD 3.15Å; M369-P372 VanDerWaalsContact O-CG 3.28Å; M369-P372 WeakPolarHBondContact O-CG 3.34Å; M369-P372 HydrophobicContact SD-CG 4.38Å; M369-M373 WeakPolarHBondContact O-CG 3.35Å; M369-M373 PolarHBondContact O-N 3.4Å
370L96.8Very high95.7Very high61 Ų6136.3 Ų36.332%0.31919%0.185SC..Hα-helixtrans-62.2-29.5172.2-174.759.4000112Y359 L363 E368 M373 L374Y359-L370 HydrophobicContact CE1-CD2 4.37Å; L363-L370 HydrophobicContact CD1-CB 4Å; L363-L370 HydrophobicContact CD1-CD2 3.87Å; L363-L370 HydrophobicContact CD1-CG 3.79Å; L363-L370 HydrophobicContact CD2-CB 4.4Å; L363-L370 HydrophobicContact CD2-CD2 4.32Å; E368-L370 PolarHBondContact O-N 2.78Å; L370-M373 PolarHBondContact O-N 3.18Å; L370-L374 HydrophobicContact CD1-CD1 4.44Å; L370-L374 HydrophobicContact CD1-CD2 4.34Å; L370-L374 HydrophobicContact CD1-CG 4.03Å; L370-L374 HydrophobicContact CG-CD1 4.06Å; L370-L374 HydrophobicContact CG-CG 4.11Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 2.62Å
371A96.9Very high95.8Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-60.6-57.7179.400000112.6L363 H364 E368 M369 M373 L374 L375L363-A371 HydrophobicContact CB-CB 3.59Å; H364-A371 HydrophobicContact CB-CB 4.49Å; H364-A371 VanDerWaalsContact CD2-CB 3.45Å; H364-A371 WeakPolarHBondContact CD2-CB 3.32Å; E368-A371 WeakPolarHBondContact O-CB 3.44Å; E368-A371 PolarHBondContact O-N 2.88Å; M369-A371 PolarHBondContact O-N 3.17Å; A371-M373 VanDerWaalsContact C-N 3.26Å; A371-M373 PolarHBondContact O-N 3.47Å; A371-L374 PolarHBondContact O-N 3.07Å; A371-L375 WeakPolarHBondContact O-CG 3.21Å; A371-L375 PolarHBondContact O-N 3.34Å
372P96.9Very high96Very high5 Ų536.3 Ų36.33%0.03219%0.185CC..Hα-helixtrans-65.1-27.4176.625.5-35.4000113.1F46 M369 M376 T421F46-P372 HydrophobicContact CD1-CB 4.07Å; F46-P372 HydrophobicContact CD1-CG 4.28Å; F46-P372 HydrophobicContact CD2-CB 4.18Å; F46-P372 HydrophobicContact CE1-CB 4.01Å; F46-P372 HydrophobicContact CE1-CG 4.35Å; F46-P372 HydrophobicContact CE2-CB 4.1Å; F46-P372 HydrophobicContact CG-CB 4.14Å; F46-P372 HydrophobicContact CZ-CB 4.02Å; M369-P372 HydrophobicContact CE-CG 3.93Å; M369-P372 VanDerWaalsContact O-CD 3.23Å; M369-P372 WeakPolarHBondContact O-CD 3.15Å; M369-P372 VanDerWaalsContact O-CG 3.28Å; M369-P372 WeakPolarHBondContact O-CG 3.34Å; M369-P372 HydrophobicContact SD-CG 4.38Å; P372-M376 VanDerWaalsContact O-CB 3.23Å; P372-M376 WeakPolarHBondContact O-CB 3.37Å; P372-M376 PolarHBondContact O-N 3.21Å; P372-T421 HydrophobicContact CB-CG2 3.79Å; P372-T421 HydrophobicContact CG-CG2 3.92Å
373M97.9Very high96.3Very high49 Ų4931.3 Ų31.324%0.24116%0.161CC..Hα-helixtrans-62.9-50.4172.6-71.5-179.471.200111.8F46 L47 M369 L370 A371 L375 M376 I377F46-M373 HydrophobicContact CB-CG 3.84Å; F46-M373 WeakPolarHBondContact O-CG 3.47Å; L47-M373 HydrophobicContact CD2-CB 4.18Å; L47-M373 HydrophobicContact CD2-CG 4.45Å; M369-M373 WeakPolarHBondContact O-CG 3.35Å; M369-M373 PolarHBondContact O-N 3.4Å; L370-M373 PolarHBondContact O-N 3.18Å; A371-M373 VanDerWaalsContact C-N 3.26Å; A371-M373 PolarHBondContact O-N 3.47Å; M373-L375 VanDerWaalsContact C-N 3.32Å; M373-L375 PolarHBondContact O-N 3.16Å; M373-M376 PolarHBondContact O-N 3.19Å; M373-M376 VanDerWaalsContact O-N 3.17Å; M373-I377 WeakPolarHBondContact O-CG1 3.4Å; M373-I377 PolarHBondContact O-N 3.01Å
374L98.5Very high96.4Very high2 Ų231.5 Ų31.51%0.0116%0.161CC..Hα-helixtrans-62.5-40.4179-71.7-178.9000111.7F350 T351 H355 Y359 I360 L363 L370 A371 H378F350-L374 HydrophobicContact CD1-CD2 4.19Å; F350-L374 HydrophobicContact CE1-CD2 4.18Å; T351-L374 HydrophobicContact CG2-CB 3.82Å; T351-L374 HydrophobicContact CG2-CD2 4.37Å; T351-L374 WeakPolarHBondContact OG1-CA 3.4Å; T351-L374 PolarHBondContact OG1-O 2.89Å; H355-L374 HydrophobicContact CB-CD1 4.28Å; H355-L374 VanDerWaalsContact CD2-CD2 3.43Å; H355-L374 WeakPolarHBondContact CD2-CD2 3.15Å; Y359-L374 HydrophobicContact CD1-CD1 4.4Å; Y359-L374 HydrophobicContact CE1-CD1 4.2Å; I360-L374 HydrophobicContact CG1-CD1 4.23Å; L363-L374 HydrophobicContact CD1-CD1 3.86Å; L370-L374 HydrophobicContact CD1-CD1 4.44Å; L370-L374 HydrophobicContact CD1-CD2 4.34Å; L370-L374 HydrophobicContact CD1-CG 4.03Å; L370-L374 HydrophobicContact CG-CD1 4.06Å; L370-L374 HydrophobicContact CG-CG 4.11Å; L370-L374 WeakPolarHBondContact O-CG 3.23Å; L370-L374 PolarHBondContact O-N 2.62Å; A371-L374 PolarHBondContact O-N 3.07Å; L374-H378 PolarHBondContact O-N 2.85Å; L374-H378 VanDerWaalsContact O-N 3.16Å
375L98.5Very high96.7Very high0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-64.6-40.7173.8-69-178.4000111.9S298 F326 I343 I360 H364 A371 M373 I377 H378 N379S298-L375 VanDerWaalsContact OG-C 3.28Å; S298-L375 PolarHBondContact OG-O 2.98Å; F326-L375 HydrophobicContact CD2-CD1 4.29Å; F326-L375 HydrophobicContact CD2-CD2 3.86Å; F326-L375 HydrophobicContact CE2-CD2 3.86Å; I343-L375 HydrophobicContact CD1-CD2 3.9Å; I360-L375 HydrophobicContact CG2-CD2 4.09Å; I360-L375 HydrophobicContact CG2-CG 4.26Å; H364-L375 WeakPolarHBondContact NE2-CD1 3.4Å; A371-L375 WeakPolarHBondContact O-CG 3.21Å; A371-L375 PolarHBondContact O-N 3.34Å; M373-L375 VanDerWaalsContact C-N 3.32Å; M373-L375 PolarHBondContact O-N 3.16Å; L375-I377 PolarHBondContact O-N 2.92Å; L375-H378 PolarHBondContact O-N 3.09Å; L375-N379 VanDerWaalsContact O-CB 3.23Å; L375-N379 WeakPolarHBondContact O-CB 3.25Å; L375-N379 PolarHBondContact O-N 2.89Å; L375-N379 PolarHBondContact O-ND2 3.34Å
376M98.5Very high97.1Very high5 Ų527.4 Ų27.43%0.02514%0.138CC..Hα-helixtrans-65-39.9179.6-171.967.1176.900112.4V44 P45 F46 L47 P294 S298 P372 M373 S380V44-M376 HydrophobicContact CG1-CE 3.97Å; P45-M376 HydrophobicContact CB-CE 4.24Å; P45-M376 HydrophobicContact CG-CE 4.28Å; P45-M376 WeakPolarHBondContact O-CG 3.35Å; F46-M376 HydrophobicContact CB-CB 4.47Å; F46-M376 HydrophobicContact CD2-CB 3.94Å; F46-M376 HydrophobicContact CD2-CG 4.14Å; F46-M376 HydrophobicContact CD2-SD 4.41Å; L47-M376 HydrophobicContact CD1-CB 4.17Å; L47-M376 HydrophobicContact CD1-CG 3.69Å; L47-M376 HydrophobicContact CD2-CB 4.27Å; L47-M376 HydrophobicContact CD2-CG 4.48Å; L47-M376 HydrophobicContact CG-CB 4.15Å; L47-M376 HydrophobicContact CG-CG 3.82Å; P294-M376 HydrophobicContact CB-CE 4.29Å; P294-M376 HydrophobicContact CB-SD 3.97Å; S298-M376 WeakPolarHBondContact OG-CA 3.29Å; S298-M376 PolarHBondContact OG-N 3.42Å; P372-M376 VanDerWaalsContact O-CB 3.23Å; P372-M376 WeakPolarHBondContact O-CB 3.37Å; P372-M376 PolarHBondContact O-N 3.21Å; M373-M376 PolarHBondContact O-N 3.19Å; M373-M376 VanDerWaalsContact O-N 3.17Å; M376-S380 WeakPolarHBondContact O-CB 3.32Å; M376-S380 PolarHBondContact O-N 2.65Å; M376-S380 PolarHBondContact O-OG 3.28Å
377I98.7Very high97.4Very high13 Ų1325.3 Ų25.37%0.06712%0.12CC..Hα-helixtrans-59.8-51173.6-65.7164.8000110.1L47 V51 I55 F350 M373 L375 H381L47-I377 HydrophobicContact CD1-CG1 3.93Å; L47-I377 HydrophobicContact CD2-CD1 4.24Å; L47-I377 HydrophobicContact CD2-CG1 3.72Å; V51-I377 HydrophobicContact CG1-CD1 3.72Å; V51-I377 HydrophobicContact CG1-CG1 4.04Å; I55-I377 HydrophobicContact CG1-CG2 4.37Å; F350-I377 HydrophobicContact CB-CG2 4.1Å; F350-I377 HydrophobicContact CD1-CD1 4.23Å; M373-I377 WeakPolarHBondContact O-CG1 3.4Å; M373-I377 PolarHBondContact O-N 3.01Å; L375-I377 PolarHBondContact O-N 2.92Å; I377-H381 WeakPolarHBondContact O-CB 3.34Å; I377-H381 PolarHBondContact O-N 3.39Å; I377-H381 VanDerWaalsContact O-N 3.12Å
378H98.7Very high97.7Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-64.2-52.3-177.9173.875.2000112.4W304 I343 C349 T351 C352 L374 L375 S380 H381 Q382W304-H378 PolarHBondContact O-NE2 2.76Å; I343-H378 HydrophobicContact CD1-CB 3.91Å; I343-H378 WeakPolarHBondContact CG2-NE2 3.37Å; C349-H378 PolarHBondContact SG-ND1 3.09Å; T351-H378 HydrophobicContact CG2-CB 4.47Å; C352-H378 PolarHBondContact SG-ND1 3.19Å; C352-H378 VanDerWaalsContact SG-ND1 3.41Å; L374-H378 PolarHBondContact O-N 2.85Å; L374-H378 VanDerWaalsContact O-N 3.16Å; L375-H378 PolarHBondContact O-N 3.09Å; H378-S380 VanDerWaalsContact C-N 3.3Å; H378-S380 PolarHBondContact O-N 2.93Å; H378-H381 WeakPolarHBondContact O-CB 3.37Å; H378-H381 PolarHBondContact O-N 3.1Å; H378-Q382 PolarHBondContact CE1-NE2 3.46Å; H378-Q382 WeakPolarHBondContact O-CG 3.47Å; H378-Q382 PolarHBondContact O-N 3.46Å
379N98.6Very high97.8Very high0 Ų016.7 Ų16.70%08%0.084CC..Hα-helixtrans-63.9-36.5-176.9-70.6-31000111.8P294 S298 I302 W304 L375 Y383P294-N379 HydrophobicContact CB-CB 4.01Å; S298-N379 PolarHBondContact OG-ND2 3.35Å; I302-N379 PolarHBondContact O-ND2 3.21Å; W304-N379 PolarHBondContact N-OD1 3.01Å; L375-N379 VanDerWaalsContact O-CB 3.23Å; L375-N379 WeakPolarHBondContact O-CB 3.25Å; L375-N379 PolarHBondContact O-N 2.89Å; L375-N379 PolarHBondContact O-ND2 3.34Å; N379-Y383 VanDerWaalsContact O-CB 3.27Å; N379-Y383 WeakPolarHBondContact O-CB 3.39Å; N379-Y383 PolarHBondContact O-N 3.37Å
380S98.6Very high97.9Very high1 Ų111.9 Ų11.91%0.0076%0.06CC..Hα-helixtrans-65.1-45.3174.9-590000111M376 H378 Q382 Y383 Y384M376-S380 WeakPolarHBondContact O-CB 3.32Å; M376-S380 PolarHBondContact O-N 2.65Å; M376-S380 PolarHBondContact O-OG 3.28Å; H378-S380 VanDerWaalsContact C-N 3.3Å; H378-S380 PolarHBondContact O-N 2.93Å; S380-Q382 PolarHBondContact O-N 2.95Å; S380-Y383 PolarHBondContact O-N 2.9Å; S380-Y384 WeakPolarHBondContact O-CD2 3.41Å; S380-Y384 PolarHBondContact O-N 2.92Å
381H98.3Very high97.9Very high5 Ų511.6 Ų11.62%0.0236%0.055CC..Hα-helixtrans-58.2-47.6176.2178.687.2000112.1I55 E56 N348 C349 I377 H378 Y383 Y384 R385I55-H381 HydrophobicContact CG2-CB 4.21Å; E56-H381 IonicContact OE2-CE1 2.77Å; N348-H381 PolarHBondContact OD1-CE1 3.35Å; N348-H381 PolarHBondContact OD1-NE2 3.33Å; C349-H381 HydrophobicContact CB-CB 3.87Å; I377-H381 WeakPolarHBondContact O-CB 3.34Å; I377-H381 PolarHBondContact O-N 3.39Å; I377-H381 VanDerWaalsContact O-N 3.12Å; H378-H381 WeakPolarHBondContact O-CB 3.37Å; H378-H381 PolarHBondContact O-N 3.1Å; H381-Y383 VanDerWaalsContact C-N 3.33Å; H381-Y383 PolarHBondContact O-N 2.94Å; H381-Y384 PolarHBondContact O-N 2.69Å; H381-R385 VanDerWaalsContact NE2-CD 3.31Å; H381-R385 WeakPolarHBondContact NE2-CD 3.43Å; H381-R385 WeakPolarHBondContact O-CG 3.31Å; H381-R385 PolarHBondContact O-N 3.13Å
382Q98.1Very high97.8Very high0 Ų015.6 Ų15.60%07%0.07CC..Hα-helixtrans-61.5-40.7176.1-61.8-45.9-32.700112.5W304 C347 H378 S380 Y384 R385 F386W304-Q382 HydrophobicContact CD2-CB 4.22Å; W304-Q382 HydrophobicContact CE3-CB 3.76Å; W304-Q382 HydrophobicContact CZ3-CB 4.25Å; C347-Q382 PolarHBondContact SG-NE2 3.06Å; H378-Q382 PolarHBondContact CE1-NE2 3.46Å; H378-Q382 WeakPolarHBondContact O-CG 3.47Å; H378-Q382 PolarHBondContact O-N 3.46Å; S380-Q382 PolarHBondContact O-N 2.95Å; Q382-Y384 PolarHBondContact O-N 2.86Å; Q382-R385 WeakPolarHBondContact O-CB 3.18Å; Q382-R385 PolarHBondContact O-N 3.28Å; Q382-F386 PolarHBondContact O-N 3.39Å
383Y98.3Very high97.8Very high0 Ų015.4 Ų15.40%07%0.068CC..Hα-helixtrans-67.3-36.4-178.1-169.8-117.4000113.4C35 I278 L293 P294 W304 N379 S380 H381 F386 F387C35-Y383 HydrophobicContact CB-CE1 3.69Å; C35-Y383 WeakPolarHBondContact SG-CE1 3.49Å; I278-Y383 HydrophobicContact CD1-CE2 3.9Å; I278-Y383 WeakPolarHBondContact CD1-OH 3.08Å; L293-Y383 HydrophobicContact CB-CD2 4.15Å; L293-Y383 HydrophobicContact CB-CE2 3.7Å; L293-Y383 HydrophobicContact CD2-CD2 3.62Å; L293-Y383 HydrophobicContact CD2-CE2 3.59Å; L293-Y383 HydrophobicContact CG-CD2 4.37Å; L293-Y383 HydrophobicContact CG-CE2 4.24Å; P294-Y383 HydrophobicContact CG-CD1 3.78Å; P294-Y383 HydrophobicContact CG-CG 3.88Å; W304-Y383 HydrophobicContact CH2-CD2 4.25Å; W304-Y383 AromaticContact CZ3-CD2 3.75Å; W304-Y383 HydrophobicContact CZ3-CD2 3.75Å; W304-Y383 HydrophobicContact CZ3-CG 4.31Å; N379-Y383 VanDerWaalsContact O-CB 3.27Å; N379-Y383 WeakPolarHBondContact O-CB 3.39Å; N379-Y383 PolarHBondContact O-N 3.37Å; S380-Y383 PolarHBondContact O-N 2.9Å; H381-Y383 VanDerWaalsContact C-N 3.33Å; H381-Y383 PolarHBondContact O-N 2.94Å; Y383-F386 HydrophobicContact CD2-CD1 4.26Å; Y383-F386 HydrophobicContact CE2-CD1 4.42Å; Y383-F386 WeakPolarHBondContact O-CB 3.33Å; Y383-F386 PolarHBondContact O-N 3.17Å; Y383-F387 HydrophobicContact CD1-CD2 4.34Å; Y383-F387 HydrophobicContact CD1-CE2 4.25Å; Y383-F387 HydrophobicContact CD2-CE2 4.34Å; Y383-F387 HydrophobicContact CE1-CD2 4.13Å; Y383-F387 AromaticContact CE1-CE2 3.62Å; Y383-F387 HydrophobicContact CE1-CE2 3.62Å; Y383-F387 HydrophobicContact CE2-CD2 4.43Å; Y383-F387 AromaticContact CE2-CE2 3.78Å; Y383-F387 HydrophobicContact CE2-CE2 3.78Å; Y383-F387 AromaticContact CZ-CE2 3.41Å; Y383-F387 VanDerWaalsContact CZ-CE2 3.41Å; Y383-F387 WeakPolarHBondContact O-CD2 3.35Å; Y383-F387 PolarHBondContact O-N 2.79Å; Y383-F387 VanDerWaalsContact O-N 3.12Å
384Y98Very high97.6Very high12 Ų1213.1 Ų13.15%0.0476%0.057CC..Hα-helixtrans-73-31.1175.8-52.9-30.6000112.4L37 I55 L58 P59 S380 H381 Q382 S388L37-Y384 WeakPolarHBondContact CD1-OH 3.14Å; I55-Y384 HydrophobicContact CG2-CD2 3.94Å; I55-Y384 HydrophobicContact CG2-CE2 3.86Å; L58-Y384 HydrophobicContact CB-CE2 4.48Å; L58-Y384 HydrophobicContact CD1-CE2 3.69Å; P59-Y384 VanDerWaalsContact CD-CE1 3.46Å; P59-Y384 HydrophobicContact CG-CD1 4.09Å; P59-Y384 HydrophobicContact CG-CE1 3.65Å; S380-Y384 WeakPolarHBondContact O-CD2 3.41Å; S380-Y384 PolarHBondContact O-N 2.92Å; H381-Y384 PolarHBondContact O-N 2.69Å; Q382-Y384 PolarHBondContact O-N 2.86Å; Y384-S388 PolarHBondContact O-N 3.4Å; Y384-S388 PolarHBondContact O-OG 2.87Å
385R97Very high97.4Very high48 Ų4815.3 Ų15.318%0.1818%0.076CC..Hα-helixtrans-63.6-47.6167.9-72.9175.462.7-153.813.1111.5L57 Y306 D308 H381 Q382 F387 S388 D389L57-R385 HydrophobicContact CD1-CG 4.43Å; Y306-R385 HydrophobicContact CD1-CB 4.45Å; Y306-R385 HydrophobicContact CE1-CB 4.38Å; D308-R385 IonicContact OD1-CZ 2.65Å; D308-R385 IonicContact OD1-NE 3.4Å; D308-R385 PolarHBondContact OD1-NE 2.99Å; D308-R385 IonicContact OD1-NH2 3.42Å; D308-R385 PolarHBondContact OD1-NH2 3.22Å; D308-R385 IonicContact OD2-CZ 2.85Å; D308-R385 IonicContact OD2-NH2 3.05Å; D308-R385 PolarHBondContact OD2-NH2 3.49Å; H381-R385 VanDerWaalsContact NE2-CD 3.31Å; H381-R385 WeakPolarHBondContact NE2-CD 3.43Å; H381-R385 WeakPolarHBondContact O-CG 3.31Å; H381-R385 PolarHBondContact O-N 3.13Å; Q382-R385 WeakPolarHBondContact O-CB 3.18Å; Q382-R385 PolarHBondContact O-N 3.28Å; R385-F387 VanDerWaalsContact C-N 3.31Å; R385-F387 PolarHBondContact O-N 3.17Å; R385-S388 WeakPolarHBondContact O-CA 3.28Å; R385-S388 VanDerWaalsContact O-CB 3.27Å; R385-S388 WeakPolarHBondContact O-CB 3.23Å; R385-S388 PolarHBondContact O-N 3.02Å; R385-D389 PolarHBondContact O-N 3.47Å
386F97.7Very high97.2Very high0 Ų017.8 Ų17.80%09%0.091CC..Hα-helixtrans-52.9-44.6174.9159.6-90.8000112.9P275 I278 W304 Y306 Q382 Y383 S388 D389 L390 F402 V406P275-F386 HydrophobicContact CB-CD2 4.27Å; P275-F386 HydrophobicContact CB-CE2 3.67Å; P275-F386 HydrophobicContact CB-CZ 4.07Å; P275-F386 WeakPolarHBondContact O-CZ 3.17Å; I278-F386 HydrophobicContact CB-CE1 4.34Å; I278-F386 HydrophobicContact CB-CZ 4.16Å; I278-F386 HydrophobicContact CD1-CE1 4.24Å; I278-F386 HydrophobicContact CG2-CE1 3.8Å; I278-F386 HydrophobicContact CG2-CZ 3.93Å; W304-F386 HydrophobicContact CH2-CB 3.6Å; W304-F386 HydrophobicContact CH2-CD1 4.45Å; W304-F386 HydrophobicContact CH2-CD2 4.07Å; W304-F386 AromaticContact CH2-CG 3.79Å; W304-F386 HydrophobicContact CH2-CG 3.79Å; W304-F386 HydrophobicContact CZ2-CB 4.41Å; W304-F386 HydrophobicContact CZ2-CD2 4.42Å; W304-F386 HydrophobicContact CZ3-CB 4.31Å; Y306-F386 HydrophobicContact CD1-CB 4.42Å; Y306-F386 HydrophobicContact CE1-CB 4Å; Y306-F386 HydrophobicContact CE2-CB 4.14Å; Y306-F386 AromaticContact CE2-CD2 3.96Å; Y306-F386 HydrophobicContact CE2-CD2 3.96Å; Q382-F386 PolarHBondContact O-N 3.39Å; Y383-F386 HydrophobicContact CD2-CD1 4.26Å; Y383-F386 HydrophobicContact CE2-CD1 4.42Å; Y383-F386 WeakPolarHBondContact O-CB 3.33Å; Y383-F386 PolarHBondContact O-N 3.17Å; F386-S388 VanDerWaalsContact C-N 3.28Å; F386-S388 PolarHBondContact O-N 3.39Å; F386-D389 PolarHBondContact O-N 2.84Å; F386-L390 WeakPolarHBondContact O-CB 3.37Å; F386-L390 PolarHBondContact O-N 3.18Å; F386-F402 HydrophobicContact CD2-CE1 4.48Å; F386-F402 AromaticContact CD2-CZ 3.74Å; F386-F402 HydrophobicContact CD2-CZ 3.74Å; F386-F402 AromaticContact CE2-CE1 3.81Å; F386-F402 HydrophobicContact CE2-CE1 3.81Å; F386-F402 AromaticContact CE2-CZ 3.51Å; F386-F402 HydrophobicContact CE2-CZ 3.51Å; F386-F402 HydrophobicContact CZ-CE1 4.25Å; F386-F402 HydrophobicContact CZ-CZ 4.24Å; F386-V406 HydrophobicContact CD2-CG1 4.27Å; F386-V406 HydrophobicContact CE2-CB 4.42Å; F386-V406 HydrophobicContact CE2-CG1 3.87Å
387F98.3Very high96.9Very high3 Ų322.4 Ų22.41%0.01312%0.116CC..Hα-helixtrans-67.1-29.6176.1-91.4-76.8000113.3G34 C35 I278 F289 Y383 R385 L390 R391G34-F387 VanDerWaalsContact C-CE1 3.47Å; G34-F387 VanDerWaalsContact CA-CD1 3.42Å; C35-F387 HydrophobicContact CB-CD2 3.98Å; C35-F387 HydrophobicContact CB-CE2 3.49Å; C35-F387 VanDerWaalsContact CB-CE2 3.49Å; C35-F387 HydrophobicContact CB-CZ 3.78Å; I278-F387 HydrophobicContact CD1-CZ 4.38Å; I278-F387 HydrophobicContact CG2-CE1 3.99Å; I278-F387 HydrophobicContact CG2-CZ 3.77Å; F289-F387 HydrophobicContact CB-CZ 4Å; F289-F387 AromaticContact CD2-CE1 3.57Å; F289-F387 HydrophobicContact CD2-CE1 3.57Å; F289-F387 AromaticContact CD2-CZ 3.68Å; F289-F387 HydrophobicContact CD2-CZ 3.68Å; F289-F387 HydrophobicContact CE2-CE1 4.07Å; F289-F387 HydrophobicContact CE2-CZ 4.45Å; F289-F387 HydrophobicContact CG-CE1 4.34Å; F289-F387 AromaticContact CG-CZ 3.98Å; F289-F387 HydrophobicContact CG-CZ 3.98Å; Y383-F387 HydrophobicContact CD1-CD2 4.34Å; Y383-F387 HydrophobicContact CD1-CE2 4.25Å; Y383-F387 HydrophobicContact CD2-CE2 4.34Å; Y383-F387 HydrophobicContact CE1-CD2 4.13Å; Y383-F387 AromaticContact CE1-CE2 3.62Å; Y383-F387 HydrophobicContact CE1-CE2 3.62Å; Y383-F387 HydrophobicContact CE2-CD2 4.43Å; Y383-F387 AromaticContact CE2-CE2 3.78Å; Y383-F387 HydrophobicContact CE2-CE2 3.78Å; Y383-F387 AromaticContact CZ-CE2 3.41Å; Y383-F387 VanDerWaalsContact CZ-CE2 3.41Å; Y383-F387 WeakPolarHBondContact O-CD2 3.35Å; Y383-F387 PolarHBondContact O-N 2.79Å; Y383-F387 VanDerWaalsContact O-N 3.12Å; R385-F387 VanDerWaalsContact C-N 3.31Å; R385-F387 PolarHBondContact O-N 3.17Å; F387-L390 HydrophobicContact CD1-CD2 4.01Å; F387-L390 HydrophobicContact CE1-CD2 4.04Å; F387-R391 WeakPolarHBondContact O-CG 3.19Å; F387-R391 PolarHBondContact O-N 3.11Å; F387-R391 PolarHBondContact O-NH1 2.91Å
388S97.3Very high96.7Very high32 Ų3225.4 Ų25.422%0.22413%0.128CC..Hα-helixtrans-68.1-41.7174.3-57.70000111.3Y384 R385 F386 R391 R392Y384-S388 PolarHBondContact O-N 3.4Å; Y384-S388 PolarHBondContact O-OG 2.87Å; R385-S388 WeakPolarHBondContact O-CA 3.28Å; R385-S388 VanDerWaalsContact O-CB 3.27Å; R385-S388 WeakPolarHBondContact O-CB 3.23Å; R385-S388 PolarHBondContact O-N 3.02Å; F386-S388 VanDerWaalsContact C-N 3.28Å; F386-S388 PolarHBondContact O-N 3.39Å; S388-R391 PolarHBondContact O-N 2.83Å; S388-R391 PolarHBondContact OG-NH2 2.8Å; S388-R392 WeakPolarHBondContact O-CB 3.28Å; S388-R392 PolarHBondContact O-N 3.34Å
389D96.8Very high96.5Very high14 Ų1425.6 Ų25.68%0.07513%0.129CC..Hα-helixtrans-68.5-38.8174.6-77.8-3.5000112.7Y306 D308 W309 R385 F386 R391 R392 S393 F402Y306-D389 WeakPolarHBondContact OH-CB 3.33Å; Y306-D389 PolarHBondContact OH-OD2 3.31Å; Y306-D389 VanDerWaalsContact OH-OD2 3.13Å; D308-D389 WeakPolarHBondContact CA-OD2 3.23Å; W309-D389 HydrophobicContact CB-CB 4.08Å; W309-D389 PolarHBondContact N-OD2 2.63Å; R385-D389 PolarHBondContact O-N 3.47Å; F386-D389 PolarHBondContact O-N 2.84Å; D389-R391 PolarHBondContact O-N 3.25Å; D389-R392 PolarHBondContact O-N 2.77Å; D389-R392 IonicContact OD1-CZ 3.11Å; D389-R392 IonicContact OD1-NE 2.74Å; D389-R392 IonicContact OD1-NH2 2.83Å; D389-R392 PolarHBondContact OD1-NH2 3.44Å; D389-R392 IonicContact OD2-NH2 3.51Å; D389-R392 PolarHBondContact OD2-NH2 3.39Å; D389-S393 WeakPolarHBondContact O-CB 3.48Å; D389-S393 PolarHBondContact O-N 3.22Å; D389-F402 HydrophobicContact CB-CD2 4.44Å; D389-F402 HydrophobicContact CB-CE2 3.7Å; D389-F402 HydrophobicContact CB-CZ 4.49Å
390L97.2Very high96.2Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-57.1-50172.517559.8000110.8P33 I278 A279 A282 F386 F387 R392 S393 I394 I399 F402P33-L390 HydrophobicContact CB-CD2 3.88Å; P33-L390 HydrophobicContact CB-CG 4.44Å; P33-L390 HydrophobicContact CG-CD2 3.7Å; P33-L390 HydrophobicContact CG-CG 3.7Å; I278-L390 HydrophobicContact CG2-CD2 4.06Å; A279-L390 HydrophobicContact CB-CD1 4.48Å; A282-L390 HydrophobicContact CB-CD1 4.08Å; A282-L390 HydrophobicContact CB-CD2 3.89Å; A282-L390 HydrophobicContact CB-CG 4.42Å; F386-L390 WeakPolarHBondContact O-CB 3.37Å; F386-L390 PolarHBondContact O-N 3.18Å; F387-L390 HydrophobicContact CD1-CD2 4.01Å; F387-L390 HydrophobicContact CE1-CD2 4.04Å; L390-R392 VanDerWaalsContact C-N 3.34Å; L390-R392 PolarHBondContact O-N 3.19Å; L390-S393 PolarHBondContact O-N 2.8Å; L390-S393 PolarHBondContact O-OG 3.26Å; L390-I394 HydrophobicContact CD1-CD1 4.39Å; L390-I394 PolarHBondContact O-N 3.34Å; L390-I399 HydrophobicContact CD1-CD1 3.5Å; L390-I399 VanDerWaalsContact CD1-CD1 3.5Å; L390-F402 HydrophobicContact CB-CE1 3.76Å; L390-F402 HydrophobicContact CB-CZ 3.76Å; L390-F402 HydrophobicContact CD1-CD1 3.76Å; L390-F402 HydrophobicContact CD1-CE1 3.56Å; L390-F402 HydrophobicContact CD1-CZ 4.43Å; L390-F402 HydrophobicContact CG-CE1 4.19Å
391R97.1Very high96Very high55 Ų5530.9 Ų30.921%0.20816%0.159CC..Hα-helixtrans-60.6-43.2176.2-73.6-171.3-59.5-83.4-1.7112.1L16 P33 F387 S388 D389 S393 I394 A395L16-R391 HydrophobicContact CD2-CB 4.32Å; L16-R391 HydrophobicContact CD2-CG 4.37Å; P33-R391 HydrophobicContact CG-CG 4.13Å; P33-R391 WeakPolarHBondContact O-CD 3.49Å; P33-R391 VanDerWaalsContact O-CG 3.26Å; P33-R391 WeakPolarHBondContact O-CG 2.97Å; P33-R391 PolarHBondContact O-NH1 3.41Å; P33-R391 VanDerWaalsContact O-NH1 3.13Å; F387-R391 WeakPolarHBondContact O-CG 3.19Å; F387-R391 PolarHBondContact O-N 3.11Å; F387-R391 PolarHBondContact O-NH1 2.91Å; S388-R391 PolarHBondContact O-N 2.83Å; S388-R391 PolarHBondContact OG-NH2 2.8Å; D389-R391 PolarHBondContact O-N 3.25Å; R391-S393 VanDerWaalsContact C-N 3.34Å; R391-S393 PolarHBondContact O-N 2.95Å; R391-I394 PolarHBondContact O-N 3.31Å; R391-A395 WeakPolarHBondContact O-CB 3.44Å; R391-A395 PolarHBondContact O-N 3.38Å
392R95.8Very high95.9Very high84 Ų8430.6 Ų30.632%0.31716%0.158SC..Hα-helixtrans-60.5-44177.6-177.2168.151.789.2-2.1111.2W309 S388 D389 L390 I394 A395 V396W309-R392 HydrophobicContact CZ3-CG 4.3Å; W309-R392 VanDerWaalsContact O-CZ 3.3Å; W309-R392 PolarHBondContact O-NH1 3.48Å; W309-R392 PolarHBondContact O-NH2 3.05Å; S388-R392 WeakPolarHBondContact O-CB 3.28Å; S388-R392 PolarHBondContact O-N 3.34Å; D389-R392 PolarHBondContact O-N 2.77Å; D389-R392 IonicContact OD1-CZ 3.11Å; D389-R392 IonicContact OD1-NE 2.74Å; D389-R392 IonicContact OD1-NH2 2.83Å; D389-R392 PolarHBondContact OD1-NH2 3.44Å; D389-R392 IonicContact OD2-NH2 3.51Å; D389-R392 PolarHBondContact OD2-NH2 3.39Å; L390-R392 VanDerWaalsContact C-N 3.34Å; L390-R392 PolarHBondContact O-N 3.19Å; R392-I394 VanDerWaalsContact C-N 3.3Å; R392-I394 PolarHBondContact O-N 3.42Å; R392-A395 WeakPolarHBondContact O-CB 3.27Å; R392-A395 PolarHBondContact O-N 2.92Å; R392-A395 VanDerWaalsContact O-N 3.16Å; R392-V396 WeakPolarHBondContact O-CG2 3.36Å; R392-V396 PolarHBondContact O-N 2.87Å
393S95.3Very high95.7Very high0 Ų031.1 Ų31.10%016%0.16CC..Hα-helixtrans-61.2-36.6178.678.10000113.1D389 L390 R391 N397 K398 I399 F402D389-S393 WeakPolarHBondContact O-CB 3.48Å; D389-S393 PolarHBondContact O-N 3.22Å; L390-S393 PolarHBondContact O-N 2.8Å; L390-S393 PolarHBondContact O-OG 3.26Å; R391-S393 VanDerWaalsContact C-N 3.34Å; R391-S393 PolarHBondContact O-N 2.95Å; S393-N397 PolarHBondContact O-N 3.01Å; S393-K398 CarbonylContact O-C 3.52Å; S393-K398 PolarHBondContact O-N 3.12Å; S393-I399 PolarHBondContact O-N 3.32Å; S393-I399 WeakPolarHBondContact OG-CD1 3.29Å; S393-F402 VanDerWaalsContact CB-CB 3.44Å; S393-F402 WeakPolarHBondContact OG-CB 3.47Å
394I95.4Very high95.4Very high1 Ų135 Ų351%0.00518%0.184CC..Hα-helixtrans-70.5-44.9174.2-64172.5000110.1F10 M14 L16 P33 L390 R391 R392 V396 N397 I399F10-I394 HydrophobicContact CD2-CG2 3.73Å; F10-I394 HydrophobicContact CE2-CG2 4.23Å; F10-I394 HydrophobicContact CG-CG2 4.46Å; M14-I394 HydrophobicContact CB-CG2 4.32Å; L16-I394 HydrophobicContact CD1-CG2 4.33Å; L16-I394 HydrophobicContact CD2-CB 3.95Å; L16-I394 HydrophobicContact CD2-CD1 4.47Å; L16-I394 HydrophobicContact CD2-CG2 3.79Å; L16-I394 HydrophobicContact CG-CB 4.38Å; L16-I394 HydrophobicContact CG-CG2 3.76Å; P33-I394 HydrophobicContact CG-CD1 3.6Å; L390-I394 HydrophobicContact CD1-CD1 4.39Å; L390-I394 PolarHBondContact O-N 3.34Å; R391-I394 PolarHBondContact O-N 3.31Å; R392-I394 VanDerWaalsContact C-N 3.3Å; R392-I394 PolarHBondContact O-N 3.42Å; I394-V396 PolarHBondContact O-N 3.38Å; I394-N397 PolarHBondContact O-N 3.33Å; I394-I399 HydrophobicContact CG1-CB 4.43Å; I394-I399 HydrophobicContact CG1-CD1 3.94Å; I394-I399 HydrophobicContact CG1-CG1 4.35Å
395A94.3Very high95.2Very high49 Ų4934.9 Ų34.941%0.40518%0.184SC..Hα-helixtrans-58.7-35.2-178.900000113.1F10 L16 R391 R392F10-A395 WeakPolarHBondContact CZ-O 3.44Å; L16-A395 HydrophobicContact CD1-CB 3.74Å; R391-A395 WeakPolarHBondContact O-CB 3.44Å; R391-A395 PolarHBondContact O-N 3.38Å; R392-A395 WeakPolarHBondContact O-CB 3.27Å; R392-A395 PolarHBondContact O-N 2.92Å; R392-A395 VanDerWaalsContact O-N 3.16Å
396V93.5Very high95Very high52 Ų5232.6 Ų32.632%0.31518%0.175SC..THydrogen-bonded Turntrans-96.911.3177.8-52.30000113.2W309 E311 R392 I394 K398W309-V396 HydrophobicContact CH2-CG2 3.67Å; W309-V396 HydrophobicContact CZ3-CG2 4.05Å; E311-V396 HydrophobicContact CG-CG2 4.06Å; R392-V396 WeakPolarHBondContact O-CG2 3.36Å; R392-V396 PolarHBondContact O-N 2.87Å; I394-V396 PolarHBondContact O-N 3.38Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 HydrophobicContact CG2-CB 4.05Å; V396-K398 HydrophobicContact CG2-CD 4.08Å; V396-K398 HydrophobicContact CG2-CG 4.26Å; V396-K398 PolarHBondContact O-N 3.37Å
397N92.4Very high94.7Very high102 Ų10235 Ų3555%0.54519%0.192SC..THydrogen-bonded Turntrans53.541.9178.8-16544.9000114.3F10 S393 I394F10-N397 HydrophobicContact CD1-CB 4.33Å; S393-N397 PolarHBondContact O-N 3.01Å; I394-N397 PolarHBondContact O-N 3.33Å
398K93.8Very high94Very high76 Ų7637.1 Ų37.133%0.3320%0.204SC..  trans-126.934.3178.4-70.8172.9173.1172.10112.3W309 E311 S393 V396 D400 S401 F402W309-K398 HydrophobicContact CH2-CB 3.75Å; W309-K398 HydrophobicContact CH2-CD 4.25Å; W309-K398 HydrophobicContact CZ2-CB 3.71Å; W309-K398 HydrophobicContact CZ2-CD 4.4Å; E311-K398 HydrophobicContact CG-CD 3.56Å; E311-K398 PolarHBondContact O-NZ 2.61Å; E311-K398 IonicContact OE1-NZ 3.55Å; E311-K398 PolarHBondContact OE1-NZ 3.07Å; S393-K398 CarbonylContact O-C 3.52Å; S393-K398 PolarHBondContact O-N 3.12Å; V396-K398 VanDerWaalsContact C-N 3.32Å; V396-K398 HydrophobicContact CG2-CB 4.05Å; V396-K398 HydrophobicContact CG2-CD 4.08Å; V396-K398 HydrophobicContact CG2-CG 4.26Å; V396-K398 PolarHBondContact O-N 3.37Å; K398-D400 PolarHBondContact O-N 2.87Å; K398-S401 WeakPolarHBondContact O-CB 3.49Å; K398-S401 PolarHBondContact O-N 2.76Å; K398-F402 PolarHBondContact O-N 3.07Å; K398-F402 VanDerWaalsContact O-N 3.15Å
399I94.3Very high93.6Very high4 Ų435.7 Ų35.72%0.02119%0.193CC..Hα-helixtrans-57.2-34.9178.3-171.955.8000112.8M14 R283 L390 S393 I394 S401 F402 I403M14-I399 HydrophobicContact CE-CG2 4.19Å; M14-I399 HydrophobicContact SD-CB 4.01Å; M14-I399 HydrophobicContact SD-CG1 4.33Å; M14-I399 HydrophobicContact SD-CG2 3.46Å; M14-I399 WeakPolarHBondContact SD-CG2 3.12Å; R283-I399 HydrophobicContact CB-CG1 4.05Å; R283-I399 HydrophobicContact CG-CG1 4.27Å; R283-I399 HydrophobicContact CG-CG2 4.16Å; L390-I399 HydrophobicContact CD1-CD1 3.5Å; L390-I399 VanDerWaalsContact CD1-CD1 3.5Å; S393-I399 PolarHBondContact O-N 3.32Å; S393-I399 WeakPolarHBondContact OG-CD1 3.29Å; I394-I399 HydrophobicContact CG1-CB 4.43Å; I394-I399 HydrophobicContact CG1-CD1 3.94Å; I394-I399 HydrophobicContact CG1-CG1 4.35Å; I399-S401 VanDerWaalsContact C-N 3.33Å; I399-S401 PolarHBondContact O-N 2.74Å; I399-F402 HydrophobicContact CD1-CB 4.4Å; I399-F402 HydrophobicContact CD1-CD1 4.11Å; I399-F402 CarbonylContact O-C 3.6Å; I399-F402 WeakPolarHBondContact O-CA 3.12Å; I399-F402 WeakPolarHBondContact O-CB 3.29Å; I399-F402 PolarHBondContact O-N 3.16Å; I399-F402 VanDerWaalsContact O-N 3.11Å; I399-I403 HydrophobicContact CG1-CD1 4Å; I399-I403 HydrophobicContact CG1-CG1 4.39Å; I399-I403 WeakPolarHBondContact O-CG1 3.36Å; I399-I403 PolarHBondContact O-N 3.11Å
400D93.7Very high93.1Very high92 Ų9239.2 Ų39.249%0.49221%0.205SC..Hα-helixtrans-68.5-36.9-178.4-68.3-39.8000111.2R283 K398 F402 I403 T404R283-D400 WeakPolarHBondContact CD-OD1 3.46Å; R283-D400 IonicContact CZ-OD1 3.32Å; R283-D400 IonicContact NH1-OD1 2.87Å; R283-D400 PolarHBondContact NH1-OD1 3.22Å; K398-D400 PolarHBondContact O-N 2.87Å; D400-F402 VanDerWaalsContact C-N 3.33Å; D400-I403 PolarHBondContact O-N 3.11Å; D400-T404 PolarHBondContact O-N 3.17Å; D400-T404 PolarHBondContact O-OG1 3.29Å
401S93.7Very high92.7Very high19 Ų1939.4 Ų39.413%0.13321%0.207CC..Hα-helixtrans-61.2-42.6169.61560000111.5W309 P314 K398 I399 T404 H405W309-S401 PolarHBondContact NE1-OG 3.21Å; P314-S401 WeakPolarHBondContact CA-OG 3.42Å; P314-S401 WeakPolarHBondContact CB-OG 3.41Å; P314-S401 VanDerWaalsContact CG-OG 3.32Å; P314-S401 WeakPolarHBondContact CG-OG 3.18Å; K398-S401 WeakPolarHBondContact O-CB 3.49Å; K398-S401 PolarHBondContact O-N 2.76Å; I399-S401 VanDerWaalsContact C-N 3.33Å; I399-S401 PolarHBondContact O-N 2.74Å; S401-T404 PolarHBondContact O-N 3.37Å; S401-H405 PolarHBondContact O-N 3.5Å
402F95.1Very high92Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-64.4-41.3175.9-178.7-96.3000111.7A279 W309 F386 D389 L390 S393 K398 I399 D400 T404 H405 V406A279-F402 HydrophobicContact CB-CD1 4.03Å; A279-F402 HydrophobicContact CB-CE1 3.97Å; W309-F402 HydrophobicContact CB-CD2 3.67Å; W309-F402 HydrophobicContact CB-CE2 3.96Å; W309-F402 AromaticContact CD1-CD2 3.91Å; W309-F402 HydrophobicContact CD2-CB 4.36Å; W309-F402 AromaticContact CD2-CD2 3.97Å; W309-F402 HydrophobicContact CD2-CD2 3.97Å; W309-F402 HydrophobicContact CG-CB 4.42Å; W309-F402 AromaticContact CG-CD2 3.54Å; W309-F402 HydrophobicContact CG-CD2 3.54Å; W309-F402 HydrophobicContact CG-CE2 4.33Å; W309-F402 HydrophobicContact CG-CG 4.47Å; F386-F402 HydrophobicContact CD2-CE1 4.48Å; F386-F402 AromaticContact CD2-CZ 3.74Å; F386-F402 HydrophobicContact CD2-CZ 3.74Å; F386-F402 AromaticContact CE2-CE1 3.81Å; F386-F402 HydrophobicContact CE2-CE1 3.81Å; F386-F402 AromaticContact CE2-CZ 3.51Å; F386-F402 HydrophobicContact CE2-CZ 3.51Å; F386-F402 HydrophobicContact CZ-CE1 4.25Å; F386-F402 HydrophobicContact CZ-CZ 4.24Å; D389-F402 HydrophobicContact CB-CD2 4.44Å; D389-F402 HydrophobicContact CB-CE2 3.7Å; D389-F402 HydrophobicContact CB-CZ 4.49Å; L390-F402 HydrophobicContact CB-CE1 3.76Å; L390-F402 HydrophobicContact CB-CZ 3.76Å; L390-F402 HydrophobicContact CD1-CD1 3.76Å; L390-F402 HydrophobicContact CD1-CE1 3.56Å; L390-F402 HydrophobicContact CD1-CZ 4.43Å; L390-F402 HydrophobicContact CG-CE1 4.19Å; S393-F402 VanDerWaalsContact CB-CB 3.44Å; S393-F402 WeakPolarHBondContact OG-CB 3.47Å; K398-F402 PolarHBondContact O-N 3.07Å; K398-F402 VanDerWaalsContact O-N 3.15Å; I399-F402 HydrophobicContact CD1-CB 4.4Å; I399-F402 HydrophobicContact CD1-CD1 4.11Å; I399-F402 CarbonylContact O-C 3.6Å; I399-F402 WeakPolarHBondContact O-CA 3.12Å; I399-F402 WeakPolarHBondContact O-CB 3.29Å; I399-F402 PolarHBondContact O-N 3.16Å; I399-F402 VanDerWaalsContact O-N 3.11Å; D400-F402 VanDerWaalsContact C-N 3.33Å; F402-T404 VanDerWaalsContact C-N 3.34Å; F402-T404 PolarHBondContact O-N 2.91Å; F402-H405 WeakPolarHBondContact O-CB 3.33Å; F402-H405 PolarHBondContact O-N 3.5Å; F402-V406 HydrophobicContact CD1-CG1 4.14Å; F402-V406 HydrophobicContact CD1-CG2 4.33Å; F402-V406 HydrophobicContact CD2-CG1 4.29Å; F402-V406 HydrophobicContact CE1-CG1 3.69Å; F402-V406 HydrophobicContact CE1-CG2 4.2Å; F402-V406 HydrophobicContact CE2-CG1 3.86Å; F402-V406 HydrophobicContact CG-CG1 4.43Å; F402-V406 HydrophobicContact CZ-CG1 3.56Å; F402-V406 WeakPolarHBondContact O-CG1 3.44Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.32Å
403I94.7Very high91.2Very high11 Ų1135.9 Ų35.96%0.05620%0.2CC..Hα-helixtrans-60.1-43.7175.2-72163000110.9Y276 A279 L280 R283 I399 D400 V406 S407Y276-I403 HydrophobicContact CD2-CG2 3.88Å; Y276-I403 HydrophobicContact CE2-CG2 3.48Å; Y276-I403 VanDerWaalsContact CE2-CG2 3.48Å; A279-I403 HydrophobicContact CB-CG1 3.76Å; L280-I403 HydrophobicContact CD2-CD1 4.11Å; L280-I403 HydrophobicContact CD2-CG2 4.12Å; R283-I403 HydrophobicContact CB-CD1 4.1Å; R283-I403 HydrophobicContact CG-CD1 4.36Å; I399-I403 HydrophobicContact CG1-CD1 4Å; I399-I403 HydrophobicContact CG1-CG1 4.39Å; I399-I403 WeakPolarHBondContact O-CG1 3.36Å; I399-I403 PolarHBondContact O-N 3.11Å; D400-I403 PolarHBondContact O-N 3.11Å; I403-V406 PolarHBondContact O-N 3.47Å; I403-S407 WeakPolarHBondContact O-CB 3.42Å; I403-S407 PolarHBondContact O-N 3.44Å
404T93Very high90.4Very high82 Ų8241.5 Ų41.550%0.50323%0.23SC..Hα-helixtrans-60.2-47.7173.9-60.80000111D400 S401 F402 V406 S407D400-T404 PolarHBondContact O-N 3.17Å; D400-T404 PolarHBondContact O-OG1 3.29Å; S401-T404 PolarHBondContact O-N 3.37Å; F402-T404 VanDerWaalsContact C-N 3.34Å; F402-T404 PolarHBondContact O-N 2.91Å; T404-V406 VanDerWaalsContact C-N 3.35Å; T404-V406 PolarHBondContact O-N 2.99Å; T404-S407 WeakPolarHBondContact O-CB 3.48Å; T404-S407 PolarHBondContact O-N 2.57Å; T404-S407 PolarHBondContact O-OG 3.1Å
405H92.4Very high89.6Confident8 Ų842.6 Ų42.64%0.03724%0.235CC..Hα-helixtrans-54.6-49.7175.4178.671.1000111.7E307 W309 S401 F402 S407 N408 W409E307-H405 PolarHBondContact O-CE1 3.05Å; E307-H405 PolarHBondContact O-NE2 3.29Å; W309-H405 AromaticContact CD1-CG 3.83Å; S401-H405 PolarHBondContact O-N 3.5Å; F402-H405 WeakPolarHBondContact O-CB 3.33Å; F402-H405 PolarHBondContact O-N 3.5Å; H405-S407 VanDerWaalsContact C-N 3.33Å; H405-S407 PolarHBondContact O-N 3.05Å; H405-N408 WeakPolarHBondContact O-CB 3.23Å; H405-N408 PolarHBondContact O-N 3.08Å; H405-N408 PolarHBondContact O-ND2 3.02Å; H405-W409 AromaticContact CD2-CZ3 3.81Å; H405-W409 AromaticContact CE1-CH2 3.83Å; H405-W409 AromaticContact NE2-CH2 3.58Å; H405-W409 AromaticContact NE2-CZ3 3.63Å; H405-W409 WeakPolarHBondContact O-CZ3 3.46Å
406V93.3Very high89.1Confident0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-81.4-12.1-173.5-56.30000114.5P275 A279 F386 F402 I403 T404 N408 W409P275-V406 HydrophobicContact CB-CB 4.27Å; A279-V406 HydrophobicContact CB-CG2 3.71Å; F386-V406 HydrophobicContact CD2-CG1 4.27Å; F386-V406 HydrophobicContact CE2-CB 4.42Å; F386-V406 HydrophobicContact CE2-CG1 3.87Å; F402-V406 HydrophobicContact CD1-CG1 4.14Å; F402-V406 HydrophobicContact CD1-CG2 4.33Å; F402-V406 HydrophobicContact CD2-CG1 4.29Å; F402-V406 HydrophobicContact CE1-CG1 3.69Å; F402-V406 HydrophobicContact CE1-CG2 4.2Å; F402-V406 HydrophobicContact CE2-CG1 3.86Å; F402-V406 HydrophobicContact CG-CG1 4.43Å; F402-V406 HydrophobicContact CZ-CG1 3.56Å; F402-V406 WeakPolarHBondContact O-CG1 3.44Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.32Å; I403-V406 PolarHBondContact O-N 3.47Å; T404-V406 VanDerWaalsContact C-N 3.35Å; T404-V406 PolarHBondContact O-N 2.99Å; V406-N408 PolarHBondContact O-N 2.92Å; V406-N408 VanDerWaalsContact O-N 3.1Å; V406-W409 HydrophobicContact CB-CE3 4.37Å; V406-W409 HydrophobicContact CG1-CZ3 4.47Å; V406-W409 PolarHBondContact O-N 3.47Å
407S90.7Very high88.2Confident50 Ų5043.4 Ų43.435%0.3524%0.235SC..THydrogen-bonded Turntrans-58.3-20.9172.374.90000112.8I403 T404 H405 W409I403-S407 WeakPolarHBondContact O-CB 3.42Å; I403-S407 PolarHBondContact O-N 3.44Å; T404-S407 WeakPolarHBondContact O-CB 3.48Å; T404-S407 PolarHBondContact O-N 2.57Å; T404-S407 PolarHBondContact O-OG 3.1Å; H405-S407 VanDerWaalsContact C-N 3.33Å; H405-S407 PolarHBondContact O-N 3.05Å; S407-W409 VanDerWaalsContact C-N 3.31Å; S407-W409 PolarHBondContact O-N 3.45Å
408N85.3Confident87.6Confident49 Ų4940.7 Ų40.726%0.26222%0.222SC..THydrogen-bonded Turntrans-66.7-29175.8-69.2-57.1000113.2V318 K322 H405 V406 R410V318-N408 HydrophobicContact CB-CB 4.12Å; V318-N408 HydrophobicContact CG2-CB 4.04Å; V318-N408 VanDerWaalsContact CG2-ND2 3.34Å; V318-N408 WeakPolarHBondContact CG2-ND2 3.19Å; K322-N408 VanDerWaalsContact CD-O 3.22Å; K322-N408 WeakPolarHBondContact CD-O 3.1Å; K322-N408 WeakPolarHBondContact CE-O 3.13Å; K322-N408 PolarHBondContact NZ-O 2.98Å; H405-N408 WeakPolarHBondContact O-CB 3.23Å; H405-N408 PolarHBondContact O-N 3.08Å; H405-N408 PolarHBondContact O-ND2 3.02Å; V406-N408 PolarHBondContact O-N 2.92Å; V406-N408 VanDerWaalsContact O-N 3.1Å; N408-R410 PolarHBondContact O-N 3.35Å
409W87.6Confident87.1Confident2 Ų238.4 Ų38.41%0.00821%0.213CC..  trans-95.199.2178.8-68.3-85.7000111.4P275 W304 V305 Y306 E307 V318 K322 H405 V406 S407P275-W409 HydrophobicContact CB-CB 4.35Å; P275-W409 HydrophobicContact CG-CB 4.07Å; W304-W409 AromaticContact CD1-CD1 3.55Å; W304-W409 AromaticContact CD1-NE1 3.52Å; W304-W409 AromaticContact NE1-CD1 3.05Å; W304-W409 AromaticContact NE1-CD2 3.93Å; W304-W409 AromaticContact NE1-CE2 3.63Å; W304-W409 AromaticContact NE1-CG 3.61Å; W304-W409 AromaticContact NE1-NE1 3.05Å; V305-W409 WeakPolarHBondContact O-CZ2 3.07Å; V305-W409 PolarHBondContact O-NE1 2.94Å; Y306-W409 HydrophobicContact CD2-CH2 4.04Å; Y306-W409 HydrophobicContact CD2-CZ2 4.06Å; Y306-W409 HydrophobicContact CD2-CZ3 4.37Å; Y306-W409 HydrophobicContact CE2-CH2 4.26Å; Y306-W409 HydrophobicContact CE2-CZ3 4.32Å; E307-W409 HydrophobicContact CB-CH2 4.1Å; E307-W409 HydrophobicContact CB-CZ2 4.25Å; V318-W409 HydrophobicContact CB-CH2 4.23Å; V318-W409 HydrophobicContact CG1-CH2 3.54Å; V318-W409 HydrophobicContact CG1-CZ2 3.43Å; V318-W409 VanDerWaalsContact CG1-CZ2 3.43Å; V318-W409 HydrophobicContact CG1-CZ3 4.36Å; V318-W409 HydrophobicContact CG2-CH2 3.6Å; V318-W409 HydrophobicContact CG2-CZ2 4.37Å; V318-W409 HydrophobicContact CG2-CZ3 3.89Å; K322-W409 PolarHBondContact O-NE1 2.91Å; K322-W409 VanDerWaalsContact O-NE1 3.09Å; H405-W409 AromaticContact CD2-CZ3 3.81Å; H405-W409 AromaticContact CE1-CH2 3.83Å; H405-W409 AromaticContact NE2-CH2 3.58Å; H405-W409 AromaticContact NE2-CZ3 3.63Å; H405-W409 WeakPolarHBondContact O-CZ3 3.46Å; V406-W409 HydrophobicContact CB-CE3 4.37Å; V406-W409 HydrophobicContact CG1-CZ3 4.47Å; V406-W409 PolarHBondContact O-N 3.47Å; S407-W409 VanDerWaalsContact C-N 3.31Å; S407-W409 PolarHBondContact O-N 3.45Å
410R86Confident86.7Confident87 Ų8740.5 Ų40.533%0.32822%0.222SC..  trans-121.999.2166.5-67.1-54.5-160.4177.316.5108.5D277 N408D277-R410 IonicContact OD1-CZ 2.67Å; D277-R410 VanDerWaalsContact OD1-CZ 3.32Å; D277-R410 IonicContact OD1-NH1 3.43Å; D277-R410 PolarHBondContact OD1-NH1 3.18Å; D277-R410 IonicContact OD1-NH2 3.73Å; D277-R410 PolarHBondContact OD1-NH2 2.98Å; D277-R410 IonicContact OD2-NH1 3.17Å; D277-R410 PolarHBondContact OD2-NH1 2.77Å; N408-R410 PolarHBondContact O-N 3.35Å
411F89.3Confident86Confident5 Ų537.8 Ų37.82%0.02221%0.209CC..  trans-71.3128.4179.1-61.9-76.6000109.8Q274 P275 L293 L297 I302 W304 F323 L413 L416Q274-F411 PolarHBondContact NE2-O 2.81Å; P275-F411 HydrophobicContact CG-CE2 4.02Å; L293-F411 HydrophobicContact CD1-CD2 3.98Å; L293-F411 HydrophobicContact CD1-CE2 3.96Å; L293-F411 HydrophobicContact CD2-CE2 4.13Å; L297-F411 HydrophobicContact CD1-CE1 3.88Å; L297-F411 HydrophobicContact CD1-CE2 4.12Å; L297-F411 HydrophobicContact CD1-CZ 3.64Å; L297-F411 HydrophobicContact CD2-CB 4.33Å; L297-F411 HydrophobicContact CD2-CD1 3.65Å; L297-F411 HydrophobicContact CD2-CD2 4.01Å; L297-F411 HydrophobicContact CD2-CE1 3.83Å; L297-F411 HydrophobicContact CD2-CE2 4.19Å; L297-F411 HydrophobicContact CD2-CG 3.73Å; L297-F411 HydrophobicContact CD2-CZ 4.1Å; I302-F411 HydrophobicContact CG2-CD1 4.33Å; I302-F411 HydrophobicContact CG2-CE1 4.27Å; W304-F411 HydrophobicContact CB-CZ 4.23Å; W304-F411 AromaticContact CD1-CZ 3.6Å; W304-F411 HydrophobicContact CD2-CZ 4Å; W304-F411 HydrophobicContact CG-CE1 4.34Å; W304-F411 AromaticContact CG-CZ 3.71Å; W304-F411 HydrophobicContact CG-CZ 3.71Å; W304-F411 AromaticContact NE1-CZ 3.87Å; F323-F411 HydrophobicContact CB-CD1 4.34Å; F323-F411 HydrophobicContact CB-CE1 3.88Å; F323-F411 HydrophobicContact CD1-CD1 4.06Å; F323-F411 HydrophobicContact CD1-CE1 4.23Å; F323-F411 HydrophobicContact CG-CD1 4.22Å; F323-F411 HydrophobicContact CG-CE1 4.24Å; F411-L413 PolarHBondContact O-N 3.28Å; F411-L416 HydrophobicContact CB-CD1 3.59Å; F411-L416 HydrophobicContact CB-CG 4.43Å
412P82.7Confident84.8Confident35 Ų3541.6 Ų41.623%0.22723%0.228CC..  trans-67.8123.8-17627-35000111.1F323 N414 I415 L416F323-P412 HydrophobicContact CE2-CG 4.4Å; F323-P412 HydrophobicContact CZ-CG 3.88Å; P412-N414 VanDerWaalsContact C-N 3.32Å; P412-N414 WeakPolarHBondContact CB-OD1 3.17Å; P412-N414 PolarHBondContact O-N 3.17Å; P412-I415 HydrophobicContact CB-CD1 4.05Å; P412-I415 HydrophobicContact CB-CG1 4Å; P412-I415 HydrophobicContact CG-CB 4.09Å; P412-I415 HydrophobicContact CG-CD1 3.31Å; P412-I415 HydrophobicContact CG-CG1 3.63Å; P412-I415 PolarHBondContact O-N 3.44Å; P412-L416 PolarHBondContact O-N 2.9Å
413L79Confident83.1Confident29 Ų2946.9 Ų46.915%0.15225%0.253CS..Hα-helixtrans-65.1-35.4-174.5-67.7173.2000112.8Y239 W273 F411 I415 L416 T417Y239-L413 HydrophobicContact CD1-CD1 4.33Å; Y239-L413 HydrophobicContact CE1-CD1 3.3Å; Y239-L413 VanDerWaalsContact OH-CD1 3.23Å; Y239-L413 WeakPolarHBondContact OH-CD1 3.48Å; W273-L413 HydrophobicContact CH2-CD2 3.57Å; W273-L413 HydrophobicContact CZ2-CD2 3.6Å; F411-L413 PolarHBondContact O-N 3.28Å; L413-I415 PolarHBondContact O-N 2.98Å; L413-I415 VanDerWaalsContact O-N 3.17Å; L413-L416 PolarHBondContact O-N 3.36Å; L413-L416 VanDerWaalsContact O-N 3.13Å; L413-T417 WeakPolarHBondContact O-CG2 3.36Å; L413-T417 PolarHBondContact O-N 3.17Å; L413-T417 PolarHBondContact O-OG1 3.41Å
414N77.5Confident80.7Confident118 Ų11855 Ų5563%0.63129%0.288SS*.Hα-helixtrans-60-24.5176.960.1-61.3000113.2P412 T417P412-N414 VanDerWaalsContact C-N 3.32Å; P412-N414 WeakPolarHBondContact CB-OD1 3.17Å; P412-N414 PolarHBondContact O-N 3.17Å; N414-T417 PolarHBondContact O-OG1 2.82Å; N414-T417 VanDerWaalsContact O-OG1 3.12Å
415I79.4Confident78.1Confident24 Ų2459.2 Ų59.212%0.12330%0.299CS..Hα-helixtrans-88.6-37.4177.6-47.6-170.7000109.8S300 I302 E325 P412 L413 T417 V418S300-I415 WeakPolarHBondContact CB-O 3.42Å; S300-I415 PolarHBondContact OG-O 3.48Å; I302-I415 HydrophobicContact CD1-CB 4.26Å; I302-I415 HydrophobicContact CD1-CG2 3.76Å; I302-I415 HydrophobicContact CG1-CG2 4.28Å; E325-I415 WeakPolarHBondContact OE1-CD1 3.48Å; E325-I415 WeakPolarHBondContact OE2-CD1 3.13Å; P412-I415 HydrophobicContact CB-CD1 4.05Å; P412-I415 HydrophobicContact CB-CG1 4Å; P412-I415 HydrophobicContact CG-CB 4.09Å; P412-I415 HydrophobicContact CG-CD1 3.31Å; P412-I415 HydrophobicContact CG-CG1 3.63Å; P412-I415 PolarHBondContact O-N 3.44Å; L413-I415 PolarHBondContact O-N 2.98Å; L413-I415 VanDerWaalsContact O-N 3.17Å; I415-T417 VanDerWaalsContact C-N 3.32Å; I415-T417 PolarHBondContact O-N 3.12Å; I415-V418 WeakPolarHBondContact O-CB 3.4Å; I415-V418 PolarHBondContact O-N 3.3Å
416L83.3Confident75.2Confident18 Ų1864.3 Ų64.39%0.09434%0.336CS..Hα-helixtrans-72.2-21.1-179.6-67.7174.7000114.6W273 R296 L297 S300 I302 F411 P412 L413W273-L416 HydrophobicContact CH2-CD1 3.29Å; W273-L416 HydrophobicContact CZ3-CD1 3.34Å; R296-L416 HydrophobicContact CB-CD2 4.36Å; L297-L416 HydrophobicContact CD2-CD2 3.62Å; S300-L416 WeakPolarHBondContact OG-CA 3.34Å; S300-L416 PolarHBondContact OG-O 2.99Å; I302-L416 HydrophobicContact CD1-CD2 3.69Å; I302-L416 HydrophobicContact CD1-CG 4.28Å; F411-L416 HydrophobicContact CB-CD1 3.59Å; F411-L416 HydrophobicContact CB-CG 4.43Å; P412-L416 PolarHBondContact O-N 2.9Å; L413-L416 PolarHBondContact O-N 3.36Å; L413-L416 VanDerWaalsContact O-N 3.13Å
417T76Confident72.2Confident101 Ų10170.2 Ų70.262%0.6237%0.372SS*.THydrogen-bonded Turntrans-71.3-23172.851.30000112.2R299 L413 N414 I415R299-T417 PolarHBondContact NH2-O 3.03Å; R299-T417 VanDerWaalsContact NH2-O 3.07Å; L413-T417 WeakPolarHBondContact O-CG2 3.36Å; L413-T417 PolarHBondContact O-N 3.17Å; L413-T417 PolarHBondContact O-OG1 3.41Å; N414-T417 PolarHBondContact O-OG1 2.82Å; N414-T417 VanDerWaalsContact O-OG1 3.12Å; I415-T417 VanDerWaalsContact C-N 3.32Å; I415-T417 PolarHBondContact O-N 3.12Å
418V78.6Confident69.2Low45 Ų4572 Ų7227%0.27339%0.39SS..  trans-78.3129.3-179.6-176.30000110.6S300 I415 K420 E423S300-V418 PolarHBondContact OG-O 3.44Å; I415-V418 WeakPolarHBondContact O-CB 3.4Å; I415-V418 PolarHBondContact O-N 3.3Å; V418-K420 HydrophobicContact CG1-CG 3.99Å; V418-E423 WeakPolarHBondContact CG1-OE1 3.46Å
419D84.1Confident66.5Low28 Ų2874.8 Ų74.815%0.1541%0.412CS..  trans-98.487.4173.9-165.3-23.8000110.5R299 T421 N422 E423R299-D419 WeakPolarHBondContact CD-OD2 3.38Å; R299-D419 HydrophobicContact CG-CB 4.3Å; R299-D419 WeakPolarHBondContact CG-OD1 3.27Å; R299-D419 VanDerWaalsContact CZ-CB 3.45Å; R299-D419 IonicContact CZ-OD2 3.55Å; R299-D419 IonicContact NE-OD2 3.3Å; R299-D419 IonicContact NH1-OD2 3.81Å; R299-D419 PolarHBondContact NH1-OD2 3.49Å; D419-T421 PolarHBondContact O-N 3.49Å; D419-T421 VanDerWaalsContact O-N 3.08Å; D419-T421 WeakPolarHBondContact OD1-CB 3.32Å; D419-T421 PolarHBondContact OD1-N 3.14Å; D419-T421 PolarHBondContact OD1-OG1 2.76Å; D419-N422 PolarHBondContact O-N 3.42Å; D419-N422 PolarHBondContact OD2-ND2 3.43Å; D419-N422 PolarHBondContact OD1-N 2.93Å; D419-N422 VanDerWaalsContact O-N 3.1Å; D419-N422 HydrophobicContact CB-CB 4.38Å; D419-E423 PolarHBondContact O-N 3.09Å
420K84.8Confident63.7Low48 Ų4879.9 Ų79.921%0.20945%0.445CS..THydrogen-bonded Turntrans-69.6-3.3179.2-62.3-165.4-172.2-178.70113.3R299 S300 F326 V418R299-K420 PolarHBondContact O-N 2.76Å; S300-K420 WeakPolarHBondContact O-CD 3.44Å; S300-K420 VanDerWaalsContact O-CE 3.29Å; S300-K420 WeakPolarHBondContact O-CE 3.48Å; F326-K420 VanDerWaalsContact O-CD 3.27Å; F326-K420 WeakPolarHBondContact O-CD 3.3Å; F326-K420 PolarHBondContact O-NZ 2.84Å; V418-K420 HydrophobicContact CG1-CG 3.99Å
421T79Confident61.2Low34 Ų3482.6 Ų82.621%0.20947%0.466CS..THydrogen-bonded Turntrans-88.3-14.3173.372.30000113F46 R299 P372 D419F46-T421 HydrophobicContact CE1-CG2 3.98Å; F46-T421 HydrophobicContact CZ-CG2 3.91Å; R299-T421 HydrophobicContact CG-CG2 4.38Å; P372-T421 HydrophobicContact CB-CG2 3.79Å; P372-T421 HydrophobicContact CG-CG2 3.92Å; D419-T421 PolarHBondContact O-N 3.49Å; D419-T421 VanDerWaalsContact O-N 3.08Å; D419-T421 WeakPolarHBondContact OD1-CB 3.32Å; D419-T421 PolarHBondContact OD1-N 3.14Å; D419-T421 PolarHBondContact OD1-OG1 2.76Å
422N68.5Low58.4Low99 Ų9990.5 Ų90.553%0.52951%0.508SS..SBendtrans-120.75.9-176.6-77.5-45.2000113.9D419 F424D419-N422 PolarHBondContact O-N 3.42Å; D419-N422 PolarHBondContact OD2-ND2 3.43Å; D419-N422 PolarHBondContact OD1-N 2.93Å; D419-N422 VanDerWaalsContact O-N 3.1Å; D419-N422 HydrophobicContact CB-CB 4.38Å; N422-F424 WeakPolarHBondContact O-CD2 3.35Å; N422-F424 PolarHBondContact O-N 3.09Å
423E58.9Low56.5Low112 Ų11295.7 Ų95.752%0.52354%0.538SS..  trans-69.878.3177.7-77.8-173171.200112Q367 V418 D419 K425Q367-E423 PolarHBondContact NE2-O 2.87Å; Q367-E423 VanDerWaalsContact NE2-O 3.09Å; V418-E423 WeakPolarHBondContact CG1-OE1 3.46Å; D419-E423 PolarHBondContact O-N 3.09Å; E423-K425 PolarHBondContact O-N 3.01Å; E423-K425 VanDerWaalsContact O-N 3.14Å
424F46.3Very low54.6Low181 Ų181103 Ų10379%0.79459%0.592SS**  trans-72.293.1158-71.5-84.8000107.8N422 S426N422-F424 WeakPolarHBondContact O-CD2 3.35Å; N422-F424 PolarHBondContact O-N 3.09Å; F424-S426 PolarHBondContact O-N 3.13Å; F424-S426 VanDerWaalsContact O-N 3.13Å
425K37.4Very low53.5Low170 Ų170102.3 Ų102.374%0.73959%0.591SS**  trans9.790.8165.5-70.7-177.8176.6178.40115.3E423E423-K425 PolarHBondContact O-N 3.01Å; E423-K425 VanDerWaalsContact O-N 3.14Å
426S30.7Very low52.1Low116 Ų116106.4 Ų106.481%0.81162%0.615SS**  trans-102.555.8150.369.60000109.7F424 A428F424-S426 PolarHBondContact O-N 3.13Å; F424-S426 VanDerWaalsContact O-N 3.13Å; S426-A428 PolarHBondContact O-N 3.47Å
427T30.7Very low50.4Low124 Ų124111.3 Ų111.376%0.76164%0.644SS**  trans-74.774.3151.549.60000107C429T427-C429 PolarHBondContact O-N 3.03Å
428A28.5Very low48.9Very low87 Ų87111.9 Ų111.972%0.71965%0.646SS**  trans-74.8115.5159.700000106.2S426S426-A428 PolarHBondContact O-N 3.47Å
429C27.6Very low47Very low108 Ų108116.1 Ų116.173%0.7367%0.669SS**  trans-43129.4173.2-71.10000111.1T427T427-C429 PolarHBondContact O-N 3.03Å
430P30.5Very low44.5Very low109 Ų109122 Ų12271%0.70870%0.703SS**SBendtrans-69.8136.6149.830.7-24.6000106.4
431N31.7Very low41.6Very low144 Ų144127.3 Ų127.377%0.7774%0.739SS**  trans88.995.6174.3-41.9-35.9000115.2
432L31.9Very low38.8Very low170 Ų170134.5 Ų134.589%0.8978%0.78SS**  trans-173.168.7142.5-98164.4000108.9
433V41.9Very low36.3Very low144 Ų144137.4 Ų137.487%0.87380%0.8SS**  trans-141.6103.4149.4-175.70000106.3
434S39.5Very low34.2Very low184 Ų184139.7 Ų139.7100%1.28783%0.826SS**  trans-66.80156.554.90000111

Retrieved 434 of 434 residues in 624.5 ms (Link to these results)

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