A0A087XEN6_POEFO Loading...

A kinase (PRKA) anchor protein 17A

AlphaFold DB , UniProt , Accession A0A087XEN6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 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
1M55.2Low82.8Confident104 Ų10477.9 Ų77.951%0.51244%0.436SS..  0144.40-51.2-167.5-154.100108.8N214 N252 K254M1-N214 PolarHBondContact N-ND2 2.86Å; M1-N214 PolarHBondContact N-OD1 3.16Å; M1-N214 PolarHBondContact O-ND2 3.32Å; M1-N214 PolarHBondContact O-OD1 2.92Å; M1-N252 HydrophobicContact SD-CB 4.03Å; M1-K254 HydrophobicContact CE-CB 4.37Å
2T68.9Low83.6Confident125 Ų12573 Ų7377%0.76741%0.413SS*.  trans-76.3139.1178.349.60000111.4
3A82.6Confident84.4Confident52 Ų5274 Ų7443%0.4342%0.421SS..  trans-74.8147.3169.600000110.8W157 V249 A250 C251A3-W157 HydrophobicContact CB-CZ2 4.08Å; A3-V249 HydrophobicContact CB-CB 4.48Å; A3-A250 CarbonylContact C-O 3.57Å; A3-A250 WeakPolarHBondContact CA-O 3.07Å; A3-C251 HydrophobicContact CB-CB 4.47Å
4T87.6Confident85.1Confident56 Ų5673.4 Ų73.434%0.34442%0.422SS..EExtended strand (participates in β ladder)trans-111.8149.2173.451.70000110.1V249 A250T4-V249 CarbonylContact O-C 3.54Å; T4-V249 VanDerWaalsContact O-CA 3.22Å; T4-V249 WeakPolarHBondContact O-CA 3.44Å; T4-A250 PolarHBondContact N-O 2.93Å; T4-A250 PolarHBondContact O-N 3.09Å; T4-A250 PolarHBondContact OG1-O 2.77Å
5I88.9Confident85.8Confident111 Ų11169.5 Ų69.557%0.56940%0.399SS*.EExtended strand (participates in β ladder)trans-70.4145.1170.7-61.3173.2000108.4V249I5-V249 HydrophobicContact CG1-CG1 4.36Å
6V88.2Confident86.2Confident10 Ų1065.9 Ų65.96%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-122129176.1176.40000108D8 T9 K24 M240 A248 A250V6-D8 WeakPolarHBondContact CG1-O 3.22Å; V6-T9 HydrophobicContact CG1-CG2 4.2Å; V6-K24 HydrophobicContact CG1-CD 4.11Å; V6-M240 HydrophobicContact CB-SD 4.26Å; V6-M240 HydrophobicContact CG1-SD 4.02Å; V6-M240 HydrophobicContact CG2-SD 4.28Å; V6-A248 HydrophobicContact CB-CB 4.01Å; V6-A248 HydrophobicContact CG1-CB 4.48Å; V6-A248 PolarHBondContact N-O 3.36Å; V6-A250 HydrophobicContact CG2-CB 3.56Å
7H86.2Confident86.5Confident154 Ų15466 Ų6671%0.71339%0.39SS*.SBendtrans-93.6-52.8-179-56.9-80000110.9E83H7-E83 IonicContact CD2-OE1 2.87Å; H7-E83 IonicContact CG-OE1 3.59Å; H7-E83 PolarHBondContact N-OE1 3.35Å
8D86.1Confident86.8Confident49 Ų4968.8 Ų68.826%0.26240%0.399SS..  trans-87.3129.1172.1-169.4-15000112.1V6 T10 K24 E83 N84V6-D8 WeakPolarHBondContact CG1-O 3.22Å; D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 VanDerWaalsContact OD1-CB 3.28Å; D8-T10 WeakPolarHBondContact OD1-CB 3.46Å; D8-T10 WeakPolarHBondContact OD1-CG2 3.23Å; D8-T10 PolarHBondContact OD1-N 3.22Å; D8-T10 PolarHBondContact OD1-OG1 3.36Å; D8-T10 PolarHBondContact OD2-OG1 2.75Å; D8-K24 PolarHBondContact O-NZ 3.21Å; D8-E83 VanDerWaalsContact CB-OE2 3.31Å; D8-E83 WeakPolarHBondContact CB-OE2 3.46Å; D8-E83 PolarHBondContact N-OE2 3.19Å; D8-N84 PolarHBondContact OD2-ND2 2.9Å
9T88.7Confident87Confident45 Ų4566.6 Ų66.628%0.27638%0.384SS..  trans-115.814.4175.671.10000115V6 A12 M240 K242 A248V6-T9 HydrophobicContact CG1-CG2 4.2Å; T9-A12 WeakPolarHBondContact O-CB 3.41Å; T9-A12 PolarHBondContact O-N 2.65Å; T9-M240 HydrophobicContact CG2-CE 4.03Å; T9-M240 HydrophobicContact CG2-SD 4.11Å; T9-K242 PolarHBondContact OG1-NZ 3.06Å; T9-A248 HydrophobicContact CG2-CB 3.44Å; T9-A248 VanDerWaalsContact CG2-CB 3.44Å
10T88.5Confident87.4Confident107 Ų10765.5 Ų65.566%0.65638%0.377SS*.THydrogen-bonded Turntrans-61.7-49.4-178.550.20000113.8D8 A12D8-T10 VanDerWaalsContact CG-OG1 3.25Å; D8-T10 VanDerWaalsContact OD1-CB 3.28Å; D8-T10 WeakPolarHBondContact OD1-CB 3.46Å; D8-T10 WeakPolarHBondContact OD1-CG2 3.23Å; D8-T10 PolarHBondContact OD1-N 3.22Å; D8-T10 PolarHBondContact OD1-OG1 3.36Å; D8-T10 PolarHBondContact OD2-OG1 2.75Å; T10-A12 PolarHBondContact O-N 2.73Å
11E90.1Very high87.8Confident44 Ų4462.3 Ų62.321%0.20636%0.359CS..THydrogen-bonded Turntrans-7412.4179.4-64.5-172.117600113.9P25 N84 K85 T86E11-P25 HydrophobicContact CB-CG 4.34Å; E11-P25 WeakPolarHBondContact O-CD 3.45Å; E11-N84 HydrophobicContact CG-CB 4.38Å; E11-N84 WeakPolarHBondContact OE1-CB 3.22Å; E11-N84 WeakPolarHBondContact OE2-CA 3.11Å; E11-K85 VanDerWaalsContact CD-N 3.3Å; E11-K85 PolarHBondContact OE1-N 3.37Å; E11-K85 VanDerWaalsContact OE1-N 3.08Å; E11-K85 WeakPolarHBondContact OE2-CB 3.29Å; E11-K85 PolarHBondContact OE2-N 3.39Å; E11-T86 PolarHBondContact OE1-N 2.95Å; E11-T86 VanDerWaalsContact OE1-N 3.12Å; E11-T86 PolarHBondContact OE1-OG1 3.3Å
12A92.1Very high89.7Confident19 Ų1959.5 Ų59.516%0.15734%0.343CS..PPolyproline II helixtrans-94.6119.7-174.900000113.7T9 T10 L23 K24 M240T9-A12 WeakPolarHBondContact O-CB 3.41Å; T9-A12 PolarHBondContact O-N 2.65Å; T10-A12 PolarHBondContact O-N 2.73Å; A12-L23 CarbonylContact C-O 3.47Å; A12-L23 WeakPolarHBondContact CA-O 3.23Å; A12-K24 HydrophobicContact CB-CB 4.33Å; A12-K24 HydrophobicContact CB-CG 4.49Å; A12-M240 HydrophobicContact CB-CE 3.43Å; A12-M240 VanDerWaalsContact CB-CE 3.43Å; A12-M240 HydrophobicContact CB-SD 4.44Å
13V94.4Very high91Very high86 Ų8653.9 Ų53.952%0.52131%0.308SS..EExtended strand (participates in β ladder)trans-84.5140.4176.7-175.80000110Y22 L23V13-Y22 CarbonylContact O-C 3.43Å; V13-Y22 WeakPolarHBondContact O-CA 3.41Å; V13-Y22 VanDerWaalsContact O-CB 3.29Å; V13-Y22 WeakPolarHBondContact O-CB 3.31Å; V13-L23 PolarHBondContact N-O 3.06Å; V13-L23 PolarHBondContact O-N 2.98Å
14C94.3Very high91.5Very high65 Ų6551.5 Ų51.544%0.43929%0.288SS..EExtended strand (participates in β ladder)trans-73.7135.5176.5-165.30000111.5A17 Y22C14-A17 PolarHBondContact SG-N 2.78Å; C14-Y22 HydrophobicContact CB-CD1 4Å; C14-Y22 HydrophobicContact CB-CE1 3.86Å
15L94.8Very high91.7Very high15 Ų1549.9 Ų49.98%0.07928%0.278CS..EExtended strand (participates in β ladder)trans-108.6-48.8174.8176.261.3000111.2L21 L23 V177 A180 F181 L239L15-L21 PolarHBondContact N-O 3.4Å; L15-L23 HydrophobicContact CB-CG 4.31Å; L15-L23 HydrophobicContact CD2-CD2 4.22Å; L15-L23 HydrophobicContact CD2-CG 4.31Å; L15-V177 HydrophobicContact CD2-CG1 3.75Å; L15-V177 HydrophobicContact CG-CG1 3.92Å; L15-A180 HydrophobicContact CD1-CB 4.2Å; L15-A180 WeakPolarHBondContact O-CB 3.47Å; L15-F181 HydrophobicContact CD1-CE1 4.02Å; L15-F181 HydrophobicContact CD1-CE2 3.69Å; L15-F181 HydrophobicContact CD1-CZ 3.33Å; L15-L239 HydrophobicContact CD2-CD1 3.69Å
16S93.4Very high91.8Very high13 Ų1345.5 Ų45.59%0.09126%0.256CS..EExtended strand (participates in β ladder)trans-145.9101.9173.2-173.80000109.1E18 H19 N20 L21S16-E18 PolarHBondContact O-N 3Å; S16-H19 PolarHBondContact O-N 3.44Å; S16-H19 PolarHBondContact OG-ND1 3.21Å; S16-H19 VanDerWaalsContact OG-ND1 3.08Å; S16-N20 PolarHBondContact O-N 3.29Å; S16-N20 VanDerWaalsContact O-N 3.16Å; S16-L21 PolarHBondContact N-O 2.92Å; S16-L21 PolarHBondContact O-N 3.33Å
17A90.3Very high91.8Very high67 Ų6745.1 Ų45.155%0.55425%0.254SS*.THydrogen-bonded Turntrans-59.6-36177.500000111.6C14 H19 N20C14-A17 PolarHBondContact SG-N 2.78Å; A17-H19 VanDerWaalsContact C-N 3.28Å; A17-H19 PolarHBondContact O-N 2.67Å; A17-N20 PolarHBondContact O-N 2.86Å; A17-N20 PolarHBondContact O-OD1 3.28Å
18E91.5Very high92Very high117 Ų11739.3 Ų39.355%0.54723%0.227SC..THydrogen-bonded Turntrans-56.8-42.4176.2178.5179.6-169.900112.3S16 R161S16-E18 PolarHBondContact O-N 3Å; E18-R161 PolarHBondContact O-NH1 2.94Å; E18-R161 PolarHBondContact O-NH2 2.83Å; E18-R161 IonicContact OE1-NH2 3.09Å
19H91.6Very high92.3Very high26 Ų2637 Ų3712%0.1221%0.214CC..THydrogen-bonded Turntrans-97.99.6-174.5-62.388.3000112.9S16 A17 L21 V177 L241S16-H19 PolarHBondContact O-N 3.44Å; S16-H19 PolarHBondContact OG-ND1 3.21Å; S16-H19 VanDerWaalsContact OG-ND1 3.08Å; A17-H19 VanDerWaalsContact C-N 3.28Å; A17-H19 PolarHBondContact O-N 2.67Å; H19-L21 HydrophobicContact CB-CD1 4.17Å; H19-L21 HydrophobicContact CB-CG 4.2Å; H19-L21 PolarHBondContact O-N 3.33Å; H19-L21 VanDerWaalsContact O-N 3.16Å; H19-V177 HydrophobicContact CB-CG2 4.11Å; H19-L241 WeakPolarHBondContact O-CD1 3.37Å
20N94Very high92.6Very high44 Ų4436.3 Ų36.324%0.23521%0.21CC..THydrogen-bonded Turntrans5130.3-172-65.6-25.2000114.2S16 A17 Y22 L241 K242 D244S16-N20 PolarHBondContact O-N 3.29Å; S16-N20 VanDerWaalsContact O-N 3.16Å; A17-N20 PolarHBondContact O-N 2.86Å; A17-N20 PolarHBondContact O-OD1 3.28Å; N20-Y22 WeakPolarHBondContact O-CD2 3.45Å; N20-Y22 WeakPolarHBondContact O-CE2 3.26Å; N20-L241 HydrophobicContact CB-CD1 4.17Å; N20-L241 WeakPolarHBondContact O-CA 3.41Å; N20-K242 WeakPolarHBondContact CB-O 3.43Å; N20-K242 PolarHBondContact ND2-O 3.44Å; N20-K242 PolarHBondContact O-N 2.84Å; N20-D244 PolarHBondContact ND2-OD1 3.31Å
21L95.6Very high92.9Very high0 Ų031.2 Ų31.20%018%0.179CC..EExtended strand (participates in β ladder)trans-97.4136.9-178.7-73176.4000112.4L15 S16 H19 W157 F158 V177 L239 L241L15-L21 PolarHBondContact N-O 3.4Å; S16-L21 PolarHBondContact N-O 2.92Å; S16-L21 PolarHBondContact O-N 3.33Å; H19-L21 HydrophobicContact CB-CD1 4.17Å; H19-L21 HydrophobicContact CB-CG 4.2Å; H19-L21 PolarHBondContact O-N 3.33Å; H19-L21 VanDerWaalsContact O-N 3.16Å; L21-W157 HydrophobicContact CD2-CB 4.36Å; L21-W157 HydrophobicContact CD2-CD2 4.47Å; L21-W157 HydrophobicContact CD2-CE3 3.87Å; L21-F158 HydrophobicContact CD1-CE1 3.99Å; L21-F158 HydrophobicContact CD1-CZ 3.96Å; L21-V177 HydrophobicContact CD1-CG1 3.91Å; L21-V177 HydrophobicContact CD1-CG2 3.83Å; L21-L239 HydrophobicContact CD2-CD1 4.2Å; L21-L239 HydrophobicContact CD2-CD2 4.31Å; L21-L239 HydrophobicContact CD2-CG 4.18Å; L21-L241 HydrophobicContact CD2-CB 4.2Å; L21-L241 HydrophobicContact CD2-CD1 3.79Å; L21-L241 HydrophobicContact CG-CD1 4.29Å
22Y96.1Very high93.2Very high45 Ų4530.3 Ų30.318%0.17618%0.177CC..EExtended strand (participates in β ladder)trans-138.4160.9-174.6-62.7-99.6000110V13 C14 N20 M240 K242V13-Y22 CarbonylContact O-C 3.43Å; V13-Y22 WeakPolarHBondContact O-CA 3.41Å; V13-Y22 VanDerWaalsContact O-CB 3.29Å; V13-Y22 WeakPolarHBondContact O-CB 3.31Å; C14-Y22 HydrophobicContact CB-CD1 4Å; C14-Y22 HydrophobicContact CB-CE1 3.86Å; N20-Y22 WeakPolarHBondContact O-CD2 3.45Å; N20-Y22 WeakPolarHBondContact O-CE2 3.26Å; Y22-M240 HydrophobicContact CG-CE 4.21Å; Y22-M240 PolarHBondContact N-O 3.49Å; Y22-M240 PolarHBondContact O-N 3.16Å; Y22-K242 HydrophobicContact CD2-CB 4.44Å; Y22-K242 HydrophobicContact CD2-CD 4.09Å; Y22-K242 HydrophobicContact CD2-CG 3.77Å; Y22-K242 HydrophobicContact CE2-CB 4.06Å; Y22-K242 HydrophobicContact CE2-CD 3.71Å; Y22-K242 HydrophobicContact CE2-CG 3.68Å
23L95.3Very high93.3Very high7 Ų729.4 Ų29.44%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-111.4123.7169.5-66176000108.6A12 V13 L15 F181 L234 M237 L239A12-L23 CarbonylContact C-O 3.47Å; A12-L23 WeakPolarHBondContact CA-O 3.23Å; V13-L23 PolarHBondContact N-O 3.06Å; V13-L23 PolarHBondContact O-N 2.98Å; L15-L23 HydrophobicContact CB-CG 4.31Å; L15-L23 HydrophobicContact CD2-CD2 4.22Å; L15-L23 HydrophobicContact CD2-CG 4.31Å; L23-F181 HydrophobicContact CD1-CZ 4.32Å; L23-L234 HydrophobicContact CD1-CD2 3.99Å; L23-L234 HydrophobicContact CD2-CD2 3.85Å; L23-M237 HydrophobicContact CB-CB 4.04Å; L23-M237 HydrophobicContact CB-CG 4.03Å; L23-M237 HydrophobicContact CB-SD 4.32Å; L23-M237 HydrophobicContact CD1-CG 4.46Å; L23-M237 HydrophobicContact CD2-CB 4.15Å; L23-M237 HydrophobicContact CG-CB 4.48Å; L23-L239 HydrophobicContact CD2-CD1 4.12Å
24K93.6Very high93.3Very high1 Ų127.4 Ų27.40%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-109.8138.6171.7-167.5174.7-171.6-173.50109.9V6 D8 A12 E83 N84 M237 K238 M240V6-K24 HydrophobicContact CG1-CD 4.11Å; D8-K24 PolarHBondContact O-NZ 3.21Å; A12-K24 HydrophobicContact CB-CB 4.33Å; A12-K24 HydrophobicContact CB-CG 4.49Å; K24-E83 WeakPolarHBondContact CE-O 3.39Å; K24-E83 PolarHBondContact NZ-O 2.85Å; K24-N84 PolarHBondContact NZ-OD1 3.18Å; K24-M237 VanDerWaalsContact C-SD 3.58Å; K24-M237 WeakPolarHBondContact O-CA 3.38Å; K24-K238 HydrophobicContact CB-CG 4.42Å; K24-K238 PolarHBondContact N-O 2.93Å; K24-K238 VanDerWaalsContact O-CG 3.3Å; K24-K238 WeakPolarHBondContact O-CG 3.26Å; K24-K238 PolarHBondContact O-N 2.89Å; K24-M240 HydrophobicContact CB-SD 4.38Å; K24-M240 HydrophobicContact CD-SD 4.48Å
25P92.1Very high93Very high22 Ų2225.8 Ų25.814%0.14315%0.149CC..EExtended strand (participates in β ladder)trans-54.1142173.7-29.736.2000114E11 A27 M237E11-P25 HydrophobicContact CB-CG 4.34Å; E11-P25 WeakPolarHBondContact O-CD 3.45Å; P25-A27 PolarHBondContact O-N 3.24Å; P25-M237 VanDerWaalsContact CA-SD 3.59Å; P25-M237 HydrophobicContact CB-SD 4.28Å; P25-M237 HydrophobicContact CG-CE 4.33Å; P25-M237 HydrophobicContact CG-SD 3.9Å; P25-M237 VanDerWaalsContact N-SD 3.43Å
26I90.3Very high92.5Very high20 Ų2026.1 Ų26.110%0.10315%0.152CC..  trans-84.491.7169.3-62.1173.2000108K28 V118 G236 M237 K238I26-K28 HydrophobicContact CG2-CB 4.31Å; I26-K28 HydrophobicContact CG2-CD 3.67Å; I26-K28 HydrophobicContact CG2-CG 3.7Å; I26-K28 PolarHBondContact O-N 3.37Å; I26-V118 HydrophobicContact CB-CG2 3.93Å; I26-V118 HydrophobicContact CD1-CG2 4.19Å; I26-V118 HydrophobicContact CG2-CG2 3.68Å; I26-G236 WeakPolarHBondContact CB-O 3.31Å; I26-G236 WeakPolarHBondContact CG1-O 3.35Å; I26-G236 PolarHBondContact N-O 2.9Å; I26-M237 WeakPolarHBondContact CD1-O 3.35Å; I26-K238 HydrophobicContact CD1-CB 4.16Å; I26-K238 HydrophobicContact CG1-CB 3.8Å; I26-K238 HydrophobicContact CG1-CD 4.26Å; I26-K238 HydrophobicContact CG1-CG 3.95Å
27A89.3Confident91.7Very high2 Ų233.2 Ų33.22%0.01718%0.184CC..  trans-84.589.6175.800000110.3P25 V82 K85 V88P25-A27 PolarHBondContact O-N 3.24Å; A27-V82 HydrophobicContact CB-CB 4.3Å; A27-V82 WeakPolarHBondContact CB-O 3.42Å; A27-V82 PolarHBondContact O-N 3.34Å; A27-K85 HydrophobicContact CB-CB 4.4Å; A27-V88 HydrophobicContact CB-CG2 3.71Å
28K90.4Very high90.8Very high32 Ų3233.1 Ų33.114%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-124.7149.6-178.3-76.5-173.8173.1-162.20113.4I26 E79 G80 E81 N116I26-K28 HydrophobicContact CG2-CB 4.31Å; I26-K28 HydrophobicContact CG2-CD 3.67Å; I26-K28 HydrophobicContact CG2-CG 3.7Å; I26-K28 PolarHBondContact O-N 3.37Å; K28-E79 WeakPolarHBondContact CD-OE1 3.49Å; K28-E79 WeakPolarHBondContact CE-OE1 3.39Å; K28-E79 IonicContact NZ-OE1 3.6Å; K28-E79 PolarHBondContact NZ-OE1 2.74Å; K28-G80 CarbonylContact C-O 3.48Å; K28-G80 WeakPolarHBondContact CA-O 3.3Å; K28-E81 WeakPolarHBondContact CE-OE2 3.36Å; K28-E81 HydrophobicContact CG-CB 4.1Å; K28-E81 HydrophobicContact CG-CG 3.96Å; K28-E81 IonicContact NZ-OE2 3.73Å; K28-N116 HydrophobicContact CB-CB 4.1Å; K28-N116 PolarHBondContact O-N 2.84Å
29M92.5Very high89.6Confident0 Ų037.1 Ų37.10%019%0.189CC..EExtended strand (participates in β ladder)trans-139.4153.9171.765.7-179.66800112.7I31 F63 G80 V82 V88 L91 L95 V114M29-I31 HydrophobicContact CG-CD1 4.22Å; M29-I31 HydrophobicContact CG-CG1 4.07Å; M29-I31 HydrophobicContact SD-CD1 3.96Å; M29-I31 HydrophobicContact SD-CG1 4.01Å; M29-F63 HydrophobicContact CG-CE1 4.4Å; M29-F63 HydrophobicContact SD-CE1 3.95Å; M29-F63 HydrophobicContact SD-CZ 4.47Å; M29-G80 PolarHBondContact N-O 3.41Å; M29-G80 PolarHBondContact O-N 3.16Å; M29-V82 HydrophobicContact CE-CG2 4.11Å; M29-V88 HydrophobicContact CE-CB 4.13Å; M29-V88 HydrophobicContact CE-CG1 3.86Å; M29-V88 HydrophobicContact CE-CG2 4.09Å; M29-L91 HydrophobicContact CE-CB 3.44Å; M29-L91 VanDerWaalsContact CE-CB 3.44Å; M29-L91 HydrophobicContact CE-CD1 3.73Å; M29-L91 HydrophobicContact CE-CG 4.23Å; M29-L91 HydrophobicContact SD-CB 4.19Å; M29-L95 HydrophobicContact SD-CD1 4.13Å; M29-V114 CarbonylContact C-O 3.59Å; M29-V114 VanDerWaalsContact CA-O 3.28Å; M29-V114 WeakPolarHBondContact CA-O 3.22Å; M29-V114 WeakPolarHBondContact CB-O 3.36Å
30T94.4Very high88.4Confident31 Ų3141.1 Ų41.119%0.1921%0.211CC..EExtended strand (participates in β ladder)trans-102.6124.9169.2-63.90000109.1R77 F78 A113 V114T30-R77 VanDerWaalsContact CG2-CD 3.5Å; T30-R77 HydrophobicContact CG2-CG 3.56Å; T30-F78 WeakPolarHBondContact CA-O 3.42Å; T30-A113 WeakPolarHBondContact O-CA 3.1Å; T30-V114 PolarHBondContact N-O 3.31Å; T30-V114 PolarHBondContact O-N 2.81Å
31I95.3Very high86.9Confident0 Ų045.1 Ų45.10%024%0.239CC..EExtended strand (participates in β ladder)trans-115.1114.3178-54.7162.1000107.6M29 V33 V54 F63 L66 R77 F78 L95 V111 R112 A113M29-I31 HydrophobicContact CG-CD1 4.22Å; M29-I31 HydrophobicContact CG-CG1 4.07Å; M29-I31 HydrophobicContact SD-CD1 3.96Å; M29-I31 HydrophobicContact SD-CG1 4.01Å; I31-V33 HydrophobicContact CG2-CG2 4.42Å; I31-V54 HydrophobicContact CD1-CG1 3.92Å; I31-V54 HydrophobicContact CG2-CG1 4.47Å; I31-F63 HydrophobicContact CD1-CE1 3.87Å; I31-F63 HydrophobicContact CD1-CE2 4.47Å; I31-F63 HydrophobicContact CD1-CZ 3.53Å; I31-L66 HydrophobicContact CD1-CD1 4.29Å; I31-R77 CarbonylContact O-C 3.47Å; I31-R77 WeakPolarHBondContact O-CA 3.4Å; I31-F78 HydrophobicContact CB-CB 4.37Å; I31-F78 PolarHBondContact N-O 3.15Å; I31-F78 PolarHBondContact O-N 2.76Å; I31-L95 HydrophobicContact CD1-CD1 3.73Å; I31-L95 HydrophobicContact CG1-CD1 4.15Å; I31-V111 HydrophobicContact CG2-CG1 3.82Å; I31-R112 CarbonylContact C-O 3.57Å; I31-R112 WeakPolarHBondContact CA-O 3.08Å; I31-A113 HydrophobicContact CG1-CB 4.32Å
32S95.7Very high85.8Confident24 Ų2449.1 Ų49.117%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-108.6117.5176-57.70000109.7I76 R77 R112S32-I76 CarbonylContact C-O 3.55Å; S32-I76 WeakPolarHBondContact CA-O 3.27Å; S32-R77 PolarHBondContact OG-NE 3.14Å; S32-R77 VanDerWaalsContact OG-NE 3.14Å; S32-R112 PolarHBondContact N-O 2.61Å; S32-R112 PolarHBondContact O-N 3.28Å
33V95.3Very high84.8Confident0 Ų052.1 Ų52.10%030%0.295CS..EExtended strand (participates in β ladder)trans-100.7116.9175.2-1760000108.3I31 V50 V54 Y75 I76 F78 I100 L109 K110 V111I31-V33 HydrophobicContact CG2-CG2 4.42Å; V33-V50 HydrophobicContact CB-CG1 3.98Å; V33-V50 HydrophobicContact CG1-CG1 3.88Å; V33-V50 HydrophobicContact CG2-CG1 3.87Å; V33-V54 HydrophobicContact CG2-CG2 4.03Å; V33-Y75 CarbonylContact O-C 3.6Å; V33-Y75 WeakPolarHBondContact O-CA 3.41Å; V33-Y75 WeakPolarHBondContact O-CB 3.32Å; V33-I76 PolarHBondContact N-O 3.37Å; V33-I76 PolarHBondContact O-N 3.1Å; V33-F78 HydrophobicContact CG2-CD2 4.42Å; V33-F78 HydrophobicContact CG2-CE2 3.99Å; V33-I100 HydrophobicContact CG1-CD1 4.46Å; V33-I100 HydrophobicContact CG2-CD1 4.42Å; V33-L109 HydrophobicContact CG1-CB 3.71Å; V33-L109 HydrophobicContact CG1-CD1 3.87Å; V33-L109 HydrophobicContact CG1-CG 4.46Å; V33-K110 WeakPolarHBondContact CA-O 3.26Å; V33-V111 HydrophobicContact CG2-CG1 4.48Å; V33-V111 HydrophobicContact CG2-CG2 4.31Å
34A93.3Very high84.1Confident44 Ų4456.5 Ų56.536%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-74.3129.1175.900000110.5D74 L109 K110A34-D74 WeakPolarHBondContact CA-O 3.11Å; A34-L109 WeakPolarHBondContact O-CB 3.47Å; A34-K110 HydrophobicContact CB-CB 4.37Å; A34-K110 PolarHBondContact N-O 3.43Å
35L88.9Confident83.7Confident32 Ų3257.3 Ų57.317%0.16833%0.33CS..PPolyproline II helixtrans-91.5157.5176.4-60.9-174.5000111I45 L73 D74 I76 L109L35-I45 HydrophobicContact CD2-CD1 4.02Å; L35-I45 HydrophobicContact CD2-CG2 4Å; L35-L73 WeakPolarHBondContact CB-O 3.32Å; L35-D74 PolarHBondContact N-O 3.48Å; L35-I76 HydrophobicContact CD1-CD1 4.34Å; L35-I76 HydrophobicContact CD1-CG1 3.96Å; L35-I76 HydrophobicContact CD2-CD1 4.09Å; L35-I76 HydrophobicContact CD2-CG1 4.17Å; L35-I76 HydrophobicContact CG-CG1 4.24Å; L35-L109 HydrophobicContact CD2-CD1 4.1Å
36P83.5Confident83.5Confident21 Ų2159.1 Ų59.114%0.13634%0.343CS..PPolyproline II helixtrans-84.2151174.96.814000110.1L38 I45 D107 L109P36-L38 HydrophobicContact CB-CD2 4.26Å; P36-L38 HydrophobicContact CG-CD2 4.02Å; P36-L38 PolarHBondContact O-N 2.74Å; P36-I45 VanDerWaalsContact CD-CD1 3.4Å; P36-I45 HydrophobicContact CG-CD1 4.02Å; P36-D107 HydrophobicContact CB-CB 3.73Å; P36-D107 VanDerWaalsContact CB-OD2 3.28Å; P36-D107 WeakPolarHBondContact CB-OD2 3.14Å; P36-D107 HydrophobicContact CG-CB 3.73Å; P36-L109 HydrophobicContact CG-CD2 3.67Å
37Q77.5Confident83.6Confident162 Ų16260.5 Ų60.576%0.75735%0.351SS*.  trans-70.797.8167-70.5-177-10.900109.1K39Q37-K39 PolarHBondContact O-N 3.41Å
38L70.5Confident83.7Confident65 Ų6568.5 Ų68.534%0.3438%0.381SS..  trans-67.295.7-173.1-60.5-175.2000111.4P36 L40 K43 I45 F105P36-L38 HydrophobicContact CB-CD2 4.26Å; P36-L38 HydrophobicContact CG-CD2 4.02Å; P36-L38 PolarHBondContact O-N 2.74Å; L38-L40 PolarHBondContact O-N 2.86Å; L38-K43 WeakPolarHBondContact CD1-O 3.5Å; L38-I45 HydrophobicContact CD1-CG1 4.42Å; L38-I45 HydrophobicContact CD2-CD1 4.26Å; L38-F105 HydrophobicContact CD1-CE1 4.24Å; L38-F105 HydrophobicContact CD2-CD1 3.97Å; L38-F105 HydrophobicContact CD2-CE1 3.67Å
39K66.5Low83.8Confident201 Ų20168.9 Ų68.987%0.87438%0.383SS*.  trans-66.9-12.3-178.4-59.7-176.7-178.4178.20114.8Q37Q37-K39 PolarHBondContact O-N 3.41Å
40L65.7Low83.8Confident110 Ų11068.9 Ų68.958%0.57638%0.383SS*.SBendtrans-108.7114.7-178.1-66.6175000110.1L38L38-L40 PolarHBondContact O-N 2.86Å
41P63.7Low83.7Confident128 Ų12868.7 Ų68.783%0.83138%0.38SS*.THydrogen-bonded Turntrans-63.1144.5176.627.3-34000110.8
42G71.1Confident83.6Confident85 Ų8571.5 Ų71.588%0.87639%0.393SS*.THydrogen-bonded Turntrans90.3-17178.800000115.6
43K75.5Confident83.5Confident108 Ų10874.5 Ų74.547%0.4740%0.401SS..  trans-83138.7165.3-73.9-167.1172.9-170.60110.3L38 G104 F105L38-K43 WeakPolarHBondContact CD1-O 3.5Å; K43-G104 PolarHBondContact NZ-O 3.01Å; K43-F105 HydrophobicContact CB-CE1 4.12Å; K43-F105 HydrophobicContact CB-CZ 4.3Å; K43-F105 HydrophobicContact CD-CE1 4.28Å
44S80.4Confident83.4Confident98 Ų9874.5 Ų74.569%0.68540%0.401SS*.  trans-140.8149.9174.460.10000110.7F105S44-F105 WeakPolarHBondContact O-CZ 3.24Å
45I85.3Confident83.5Confident19 Ų1976.3 Ų76.310%0.09740%0.401CS..  trans-92.9128.8177.8-72.6172.7000108.8L35 P36 L38 V50 L102 F105 L109L35-I45 HydrophobicContact CD2-CD1 4.02Å; L35-I45 HydrophobicContact CD2-CG2 4Å; P36-I45 VanDerWaalsContact CD-CD1 3.4Å; P36-I45 HydrophobicContact CG-CD1 4.02Å; L38-I45 HydrophobicContact CD1-CG1 4.42Å; L38-I45 HydrophobicContact CD2-CD1 4.26Å; I45-V50 HydrophobicContact CG2-CG2 3.54Å; I45-L102 HydrophobicContact CB-CD1 4.24Å; I45-L102 HydrophobicContact CD1-CD1 4.09Å; I45-L102 HydrophobicContact CG1-CD1 3.89Å; I45-L102 HydrophobicContact CG2-CD1 3.47Å; I45-L102 VanDerWaalsContact CG2-CD1 3.47Å; I45-F105 HydrophobicContact CD1-CE1 4.45Å; I45-F105 HydrophobicContact CG1-CD1 4.43Å; I45-F105 HydrophobicContact CG1-CD2 4.28Å; I45-F105 HydrophobicContact CG1-CE1 3.94Å; I45-F105 HydrophobicContact CG1-CE2 3.77Å; I45-F105 HydrophobicContact CG1-CZ 3.58Å; I45-L109 HydrophobicContact CD1-CD2 4.22Å
46S88.9Confident83.6Confident59 Ų5978.1 Ų78.141%0.41342%0.42SS..  trans-78.6122.9176.3178.10000111W48 E49 V50S46-W48 PolarHBondContact O-N 3.21Å; S46-W48 VanDerWaalsContact O-N 3.13Å; S46-W48 PolarHBondContact OG-N 3.25Å; S46-E49 PolarHBondContact O-N 2.98Å; S46-E49 VanDerWaalsContact O-N 3.08Å; S46-V50 PolarHBondContact O-N 2.98Å; S46-V50 VanDerWaalsContact O-N 3.13Å
47N91.6Very high84Confident50 Ų5078.9 Ų78.927%0.26742%0.422SS..Hα-helixtrans-56.2-27.8172.3-70.911.6000112.6M51 I68 S71 I76N47-M51 WeakPolarHBondContact O-CB 3.13Å; N47-M51 PolarHBondContact O-N 3.21Å; N47-M51 VanDerWaalsContact O-N 3.1Å; N47-I68 HydrophobicContact CB-CD1 3.83Å; N47-S71 PolarHBondContact ND2-OG 3.08Å; N47-I76 HydrophobicContact CB-CD1 4.29Å; N47-I76 WeakPolarHBondContact OD1-CD1 3.49Å
48W91.6Very high84.7Confident169 Ų16971.2 Ų71.264%0.6439%0.387SS*.Hα-helixtrans-75.4-42.2175.7-176.885000112.2S46 V50 M51 E52S46-W48 PolarHBondContact O-N 3.21Å; S46-W48 VanDerWaalsContact O-N 3.13Å; S46-W48 PolarHBondContact OG-N 3.25Å; W48-V50 VanDerWaalsContact C-N 3.31Å; W48-V50 PolarHBondContact O-N 3.49Å; W48-M51 WeakPolarHBondContact O-CB 3.42Å; W48-M51 PolarHBondContact O-N 3.41Å; W48-M51 VanDerWaalsContact O-N 3.12Å; W48-E52 HydrophobicContact CD2-CG 3.89Å; W48-E52 HydrophobicContact CE3-CG 4.13Å; W48-E52 HydrophobicContact CH2-CG 3.77Å; W48-E52 HydrophobicContact CZ2-CG 3.48Å; W48-E52 VanDerWaalsContact CZ2-CG 3.48Å; W48-E52 HydrophobicContact CZ3-CG 4.08Å; W48-E52 PolarHBondContact NE1-OE1 2.96Å; W48-E52 PolarHBondContact O-N 2.66Å
49E91.6Very high85.5Confident40 Ų4070.8 Ų70.819%0.18739%0.392CS..Hα-helixtrans-60.5-44.4175.5-166.2-165.516800110.3S46 M51 E52 R53 L102 S103S46-E49 PolarHBondContact O-N 2.98Å; S46-E49 VanDerWaalsContact O-N 3.08Å; E49-M51 VanDerWaalsContact C-N 3.32Å; E49-M51 PolarHBondContact O-N 2.64Å; E49-E52 PolarHBondContact O-N 3.37Å; E49-R53 WeakPolarHBondContact O-CG 3.47Å; E49-R53 PolarHBondContact O-N 3.05Å; E49-R53 IonicContact OE1-CZ 2.66Å; E49-R53 IonicContact OE1-NE 3.61Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.48Å; E49-L102 HydrophobicContact CG-CD2 4.07Å; E49-S103 PolarHBondContact OE1-N 3.46Å
50V92.6Very high86.4Confident0 Ų066.5 Ų66.50%039%0.385CS..Hα-helixtrans-61-40.7175.8-179.30000111.4V33 I45 S46 W48 R53 V54 I76 F78 L102 L109V33-V50 HydrophobicContact CB-CG1 3.98Å; V33-V50 HydrophobicContact CG1-CG1 3.88Å; V33-V50 HydrophobicContact CG2-CG1 3.87Å; I45-V50 HydrophobicContact CG2-CG2 3.54Å; S46-V50 PolarHBondContact O-N 2.98Å; S46-V50 VanDerWaalsContact O-N 3.13Å; W48-V50 VanDerWaalsContact C-N 3.31Å; W48-V50 PolarHBondContact O-N 3.49Å; V50-R53 PolarHBondContact O-N 3Å; V50-V54 WeakPolarHBondContact O-CG2 3.48Å; V50-V54 PolarHBondContact O-N 3.25Å; V50-I76 HydrophobicContact CB-CD1 4.04Å; V50-I76 HydrophobicContact CG1-CD1 4.22Å; V50-I76 HydrophobicContact CG2-CD1 3.95Å; V50-F78 HydrophobicContact CB-CZ 4.28Å; V50-F78 HydrophobicContact CG1-CE2 3.83Å; V50-F78 HydrophobicContact CG1-CZ 3.86Å; V50-L102 HydrophobicContact CG2-CD1 3.98Å; V50-L102 HydrophobicContact CG2-CD2 4.23Å; V50-L109 HydrophobicContact CG2-CD1 4.02Å
51M93.2Very high87.5Confident28 Ų2863.6 Ų63.614%0.13837%0.369CS..Hα-helixtrans-62.3-45.4175.7-170.7-176.4-70.800112.3N47 W48 E49 V54 K55 L66 I68 F78N47-M51 WeakPolarHBondContact O-CB 3.13Å; N47-M51 PolarHBondContact O-N 3.21Å; N47-M51 VanDerWaalsContact O-N 3.1Å; W48-M51 WeakPolarHBondContact O-CB 3.42Å; W48-M51 PolarHBondContact O-N 3.41Å; W48-M51 VanDerWaalsContact O-N 3.12Å; E49-M51 VanDerWaalsContact C-N 3.32Å; E49-M51 PolarHBondContact O-N 2.64Å; M51-V54 PolarHBondContact O-N 3.03Å; M51-K55 WeakPolarHBondContact O-CG 3.35Å; M51-K55 PolarHBondContact O-N 3.21Å; M51-L66 HydrophobicContact CG-CD2 3.6Å; M51-L66 HydrophobicContact CG-CG 4.22Å; M51-L66 HydrophobicContact SD-CD2 4.44Å; M51-I68 HydrophobicContact CE-CD1 4.18Å; M51-I68 HydrophobicContact CE-CG1 3.89Å; M51-F78 HydrophobicContact CB-CE1 3.86Å; M51-F78 HydrophobicContact CB-CZ 4.29Å; M51-F78 HydrophobicContact CE-CD1 4.1Å; M51-F78 HydrophobicContact CE-CE1 3.9Å; M51-F78 HydrophobicContact CG-CE1 4.15Å
52E93.3Very high88.6Confident59 Ų5964.9 Ų64.928%0.27636%0.364SS..Hα-helixtrans-67.3-34.4177.8-64.6-48.7128.500112.3W48 E49 K55 A56W48-E52 HydrophobicContact CD2-CG 3.89Å; W48-E52 HydrophobicContact CE3-CG 4.13Å; W48-E52 HydrophobicContact CH2-CG 3.77Å; W48-E52 HydrophobicContact CZ2-CG 3.48Å; W48-E52 VanDerWaalsContact CZ2-CG 3.48Å; W48-E52 HydrophobicContact CZ3-CG 4.08Å; W48-E52 PolarHBondContact NE1-OE1 2.96Å; W48-E52 PolarHBondContact O-N 2.66Å; E49-E52 PolarHBondContact O-N 3.37Å; E52-K55 PolarHBondContact O-N 2.78Å; E52-K55 IonicContact OE1-NZ 2.91Å; E52-K55 PolarHBondContact OE1-NZ 3.16Å; E52-K55 WeakPolarHBondContact OE2-CD 3.32Å; E52-K55 IonicContact OE2-NZ 3.28Å; E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 2.66Å
53R93.3Very high89.5Confident86 Ų8662.3 Ų62.333%0.32533%0.328SS..Hα-helixtrans-65.6-39.6171.1-62.7-47.2-174.68922.1112.2E49 V50 K55 A56 M57 I100 K101 L102E49-R53 WeakPolarHBondContact O-CG 3.47Å; E49-R53 PolarHBondContact O-N 3.05Å; E49-R53 IonicContact OE1-CZ 2.66Å; E49-R53 IonicContact OE1-NE 3.61Å; E49-R53 IonicContact OE1-NH2 2.61Å; E49-R53 PolarHBondContact OE1-NH2 3.48Å; V50-R53 PolarHBondContact O-N 3Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 3.12Å; R53-A56 PolarHBondContact O-N 2.87Å; R53-M57 VanDerWaalsContact O-CG 3.31Å; R53-M57 WeakPolarHBondContact O-CG 3.12Å; R53-M57 PolarHBondContact O-N 2.74Å; R53-I100 HydrophobicContact CB-CD1 4.03Å; R53-I100 HydrophobicContact CB-CG1 4.24Å; R53-I100 HydrophobicContact CB-CG2 3.63Å; R53-I100 HydrophobicContact CG-CG2 3.74Å; R53-K101 PolarHBondContact NH1-O 3.44Å; R53-K101 PolarHBondContact NH2-O 2.96Å; R53-L102 HydrophobicContact CG-CD2 3.94Å
54V94.2Very high90.1Very high0 Ų060.1 Ų60.10%033%0.327CS..Hα-helixtrans-62.6-39.7173.3169.30000111.2I31 V33 V50 M51 M57 F63 L66 F78 L95 I100I31-V54 HydrophobicContact CD1-CG1 3.92Å; I31-V54 HydrophobicContact CG2-CG1 4.47Å; V33-V54 HydrophobicContact CG2-CG2 4.03Å; V50-V54 WeakPolarHBondContact O-CG2 3.48Å; V50-V54 PolarHBondContact O-N 3.25Å; M51-V54 PolarHBondContact O-N 3.03Å; V54-M57 PolarHBondContact O-N 3.25Å; V54-F63 HydrophobicContact CG1-CE2 4.08Å; V54-F63 HydrophobicContact CG1-CZ 4.34Å; V54-L66 HydrophobicContact CG1-CD2 4.14Å; V54-F78 HydrophobicContact CG2-CE2 4.47Å; V54-L95 HydrophobicContact CG1-CD2 4.44Å; V54-I100 HydrophobicContact CG2-CD1 3.87Å
55K93.8Very high90.5Very high83 Ų8356.8 Ų56.836%0.36131%0.305SS..Hα-helixtrans-63.9-44.6172.1-70.3170.8-179.3173.90112.6M51 E52 R53 M57 V58 A59 L66M51-K55 WeakPolarHBondContact O-CG 3.35Å; M51-K55 PolarHBondContact O-N 3.21Å; E52-K55 PolarHBondContact O-N 2.78Å; E52-K55 IonicContact OE1-NZ 2.91Å; E52-K55 PolarHBondContact OE1-NZ 3.16Å; E52-K55 WeakPolarHBondContact OE2-CD 3.32Å; E52-K55 IonicContact OE2-NZ 3.28Å; R53-K55 VanDerWaalsContact C-N 3.34Å; R53-K55 PolarHBondContact O-N 3.12Å; K55-M57 VanDerWaalsContact C-N 3.28Å; K55-M57 PolarHBondContact O-N 2.84Å; K55-V58 WeakPolarHBondContact O-CG2 3.27Å; K55-V58 PolarHBondContact O-N 3.15Å; K55-V58 VanDerWaalsContact O-N 3.12Å; K55-A59 PolarHBondContact O-N 2.96Å; K55-L66 HydrophobicContact CG-CD2 4.03Å
56A92.4Very high90.8Very high69 Ų6957.1 Ų57.157%0.5731%0.307SS*.Hα-helixtrans-62.7-34.7177.700000112.4E52 R53 V58E52-A56 WeakPolarHBondContact O-CB 3.39Å; E52-A56 PolarHBondContact O-N 2.66Å; R53-A56 PolarHBondContact O-N 2.87Å; A56-V58 PolarHBondContact O-N 2.85Å
57M91.3Very high91Very high37 Ų3762.1 Ų62.118%0.18232%0.317CS..THydrogen-bonded Turntrans-66.4-17.2175.7-74.3176.277.400114.3R53 V54 K55 R94 L95 K98 I100 V111R53-M57 VanDerWaalsContact O-CG 3.31Å; R53-M57 WeakPolarHBondContact O-CG 3.12Å; R53-M57 PolarHBondContact O-N 2.74Å; V54-M57 PolarHBondContact O-N 3.25Å; K55-M57 VanDerWaalsContact C-N 3.28Å; K55-M57 PolarHBondContact O-N 2.84Å; M57-R94 PolarHBondContact O-NE 2.86Å; M57-R94 VanDerWaalsContact O-NE 3.09Å; M57-R94 PolarHBondContact O-NH2 3.29Å; M57-L95 HydrophobicContact CB-CD2 3.84Å; M57-L95 HydrophobicContact CE-CD2 4.11Å; M57-L95 HydrophobicContact SD-CD2 4.24Å; M57-K98 HydrophobicContact CE-CB 3.51Å; M57-K98 HydrophobicContact CE-CD 4.2Å; M57-K98 HydrophobicContact CE-CG 4.43Å; M57-I100 HydrophobicContact SD-CD1 3.72Å; M57-I100 HydrophobicContact SD-CG1 3.37Å; M57-I100 WeakPolarHBondContact SD-CG1 3.01Å; M57-V111 HydrophobicContact CE-CG2 4.29Å; M57-V111 HydrophobicContact SD-CG2 4.31Å
58V91.8Very high91.1Very high2 Ų263.3 Ų63.31%0.01232%0.322CS..THydrogen-bonded Turntrans-104.2-21.1-176.8-60.90000114.8K55 A56 E61 F63 L91 R94 L95K55-V58 WeakPolarHBondContact O-CG2 3.27Å; K55-V58 PolarHBondContact O-N 3.15Å; K55-V58 VanDerWaalsContact O-N 3.12Å; A56-V58 PolarHBondContact O-N 2.85Å; V58-E61 CarbonylContact C-O 3.52Å; V58-E61 VanDerWaalsContact C-O 3.32Å; V58-E61 WeakPolarHBondContact CG2-O 3.39Å; V58-E61 WeakPolarHBondContact O-CB 3.39Å; V58-E61 PolarHBondContact O-N 2.91Å; V58-F63 HydrophobicContact CB-CE2 4.37Å; V58-F63 HydrophobicContact CG1-CE2 3.91Å; V58-F63 HydrophobicContact CG1-CZ 3.94Å; V58-F63 HydrophobicContact CG2-CD2 4.09Å; V58-F63 HydrophobicContact CG2-CE2 3.64Å; V58-F63 HydrophobicContact CG2-CZ 4.41Å; V58-L91 HydrophobicContact CB-CD2 3.4Å; V58-L91 HydrophobicContact CG1-CD2 3.39Å; V58-L91 HydrophobicContact CG2-CD2 4.38Å; V58-R94 VanDerWaalsContact C-CZ 3.46Å; V58-R94 VanDerWaalsContact C-NH2 3.27Å; V58-R94 PolarHBondContact O-NH1 3.18Å; V58-R94 VanDerWaalsContact O-NH1 3.09Å; V58-R94 PolarHBondContact O-NH2 3.46Å; V58-L95 HydrophobicContact CG1-CD1 3.82Å; V58-L95 HydrophobicContact CG1-CD2 4.01Å; V58-L95 HydrophobicContact CG1-CG 4Å
59A87.6Confident91.2Very high55 Ų5558.8 Ų58.846%0.45532%0.317SS..THydrogen-bonded Turntrans-51.7134.4179.700000113.2K55 R94K55-A59 PolarHBondContact O-N 2.96Å; A59-R94 VanDerWaalsContact O-CZ 3.23Å; A59-R94 PolarHBondContact O-NH1 3.27Å; A59-R94 PolarHBondContact O-NH2 2.82Å
60P85.7Confident91.3Very high112 Ų11261.8 Ų61.873%0.72733%0.329SS*.THydrogen-bonded Turncis-81.8-8.413.133.6-37.8000115.5
61E88.2Confident91.3Very high49 Ų4964.5 Ų64.523%0.22935%0.348CS..SBendtrans-70.1150.2176.3-61.5165.6-164.100110.7V58 V87 S90 L91V58-E61 CarbonylContact C-O 3.52Å; V58-E61 VanDerWaalsContact C-O 3.32Å; V58-E61 WeakPolarHBondContact CG2-O 3.39Å; V58-E61 WeakPolarHBondContact O-CB 3.39Å; V58-E61 PolarHBondContact O-N 2.91Å; E61-V87 HydrophobicContact CB-CG1 4.06Å; E61-V87 HydrophobicContact CG-CG1 3.99Å; E61-S90 VanDerWaalsContact CD-OG 3.27Å; E61-S90 VanDerWaalsContact OE1-CB 3.24Å; E61-S90 WeakPolarHBondContact OE1-CB 3.47Å; E61-S90 PolarHBondContact OE1-OG 2.93Å; E61-S90 WeakPolarHBondContact OE2-CB 3.24Å; E61-S90 PolarHBondContact OE2-OG 3.05Å; E61-L91 HydrophobicContact CB-CD2 3.85Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.16Å; E61-L91 VanDerWaalsContact OE2-CG 3.3Å; E61-L91 WeakPolarHBondContact OE2-CG 3.39Å
62Q87.9Confident91.2Very high155 Ų15565 Ų6572%0.72435%0.353SS*.  trans-136.6151.4-172.5-58.6-175.734.800111.8
63F89.4Confident90.8Very high30 Ų3069.6 Ų69.613%0.13238%0.378CS..  trans-85.4130.7171.4-61.8-78.8000110.4M29 I31 V54 V58 A65 L66 E81 V82 L91 L95M29-F63 HydrophobicContact CG-CE1 4.4Å; M29-F63 HydrophobicContact SD-CE1 3.95Å; M29-F63 HydrophobicContact SD-CZ 4.47Å; I31-F63 HydrophobicContact CD1-CE1 3.87Å; I31-F63 HydrophobicContact CD1-CE2 4.47Å; I31-F63 HydrophobicContact CD1-CZ 3.53Å; V54-F63 HydrophobicContact CG1-CE2 4.08Å; V54-F63 HydrophobicContact CG1-CZ 4.34Å; V58-F63 HydrophobicContact CB-CE2 4.37Å; V58-F63 HydrophobicContact CG1-CE2 3.91Å; V58-F63 HydrophobicContact CG1-CZ 3.94Å; V58-F63 HydrophobicContact CG2-CD2 4.09Å; V58-F63 HydrophobicContact CG2-CE2 3.64Å; V58-F63 HydrophobicContact CG2-CZ 4.41Å; F63-A65 VanDerWaalsContact C-N 3.25Å; F63-A65 PolarHBondContact O-N 3.38Å; F63-L66 HydrophobicContact CB-CB 4.02Å; F63-L66 HydrophobicContact CD1-CD1 4.41Å; F63-L66 HydrophobicContact CD2-CB 4.22Å; F63-L66 HydrophobicContact CD2-CD1 4.25Å; F63-L66 HydrophobicContact CD2-CD2 3.9Å; F63-L66 HydrophobicContact CD2-CG 4.36Å; F63-L66 HydrophobicContact CE1-CD1 4.46Å; F63-L66 HydrophobicContact CE2-CD1 4.29Å; F63-L66 HydrophobicContact CE2-CD2 4.08Å; F63-L66 HydrophobicContact CG-CB 4.14Å; F63-L66 HydrophobicContact CG-CD1 4.31Å; F63-L66 HydrophobicContact CZ-CD1 4.4Å; F63-E81 CarbonylContact C-O 3.52Å; F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 4.31Å; F63-L91 HydrophobicContact CE1-CD1 4.29Å; F63-L95 HydrophobicContact CZ-CD1 4.16Å
64S88.6Confident90.7Very high63 Ų6369.9 Ų69.944%0.44139%0.386SS..SBendtrans-63.9-34.7169.5-40.30000111.4E81 E83S64-E81 PolarHBondContact N-O 3.08Å; S64-E83 WeakPolarHBondContact OG-CG 3.42Å; S64-E83 PolarHBondContact OG-N 2.8Å
65A88.4Confident90.6Very high28 Ų2873 Ų7323%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-151.1127.216800000109.9F63 G80 E81F63-A65 VanDerWaalsContact C-N 3.25Å; F63-A65 PolarHBondContact O-N 3.38Å; A65-G80 WeakPolarHBondContact O-CA 3.47Å; A65-E81 HydrophobicContact CB-CB 4.4Å; A65-E81 PolarHBondContact N-O 2.92Å; A65-E81 PolarHBondContact O-N 2.7Å
66L91.9Very high90.6Very high26 Ų2669 Ų6914%0.13638%0.381CS..EExtended strand (participates in β ladder)trans-117.1118.6170.6-174.663.7000108.5I31 M51 V54 K55 F63 F78I31-L66 HydrophobicContact CD1-CD1 4.29Å; M51-L66 HydrophobicContact CG-CD2 3.6Å; M51-L66 HydrophobicContact CG-CG 4.22Å; M51-L66 HydrophobicContact SD-CD2 4.44Å; V54-L66 HydrophobicContact CG1-CD2 4.14Å; K55-L66 HydrophobicContact CG-CD2 4.03Å; F63-L66 HydrophobicContact CB-CB 4.02Å; F63-L66 HydrophobicContact CD1-CD1 4.41Å; F63-L66 HydrophobicContact CD2-CB 4.22Å; F63-L66 HydrophobicContact CD2-CD1 4.25Å; F63-L66 HydrophobicContact CD2-CD2 3.9Å; F63-L66 HydrophobicContact CD2-CG 4.36Å; F63-L66 HydrophobicContact CE1-CD1 4.46Å; F63-L66 HydrophobicContact CE2-CD1 4.29Å; F63-L66 HydrophobicContact CE2-CD2 4.08Å; F63-L66 HydrophobicContact CG-CB 4.14Å; F63-L66 HydrophobicContact CG-CD1 4.31Å; F63-L66 HydrophobicContact CZ-CD1 4.4Å; L66-F78 HydrophobicContact CD1-CB 3.8Å; L66-F78 HydrophobicContact CD1-CG 4.41Å; L66-F78 HydrophobicContact CG-CD1 4.49Å
67R92.9Very high90.7Very high164 Ų16470.5 Ų70.562%0.61937%0.372SS*.EExtended strand (participates in β ladder)trans-129.4148.3-174.3-63.5-178.3-179.2172.91.9110.6S69 F78 E79R67-S69 PolarHBondContact O-N 3.26Å; R67-F78 CarbonylContact O-C 3.49Å; R67-F78 WeakPolarHBondContact O-CA 3.44Å; R67-E79 PolarHBondContact N-O 2.73Å; R67-E79 PolarHBondContact O-N 3.36Å
68I93.4Very high90.9Very high74 Ų7468.8 Ų68.838%0.37936%0.363SS..EExtended strand (participates in β ladder)trans-79116.9171.4-60.3161.7000107.6N47 M51 I76 F78N47-I68 HydrophobicContact CB-CD1 3.83Å; M51-I68 HydrophobicContact CE-CD1 4.18Å; M51-I68 HydrophobicContact CE-CG1 3.89Å; I68-I76 HydrophobicContact CG2-CG2 4.19Å; I68-F78 HydrophobicContact CD1-CE1 4.48Å; I68-F78 HydrophobicContact CG1-CD1 3.82Å; I68-F78 HydrophobicContact CG1-CE1 3.67Å
69S93.5Very high91Very high75 Ų7571.5 Ų71.552%0.52438%0.376SS..EExtended strand (participates in β ladder)trans-85.6-39.2175.4167.50000111.2R67 R77R67-S69 PolarHBondContact O-N 3.26Å; S69-R77 PolarHBondContact N-O 3.11Å
70K94.1Very high91.2Very high103 Ų10368.9 Ų68.945%0.44835%0.354SS..EExtended strand (participates in β ladder)trans-153.7145.3176-169.8176.3178.9-170.10110.8T72 Y75 R77K70-T72 HydrophobicContact CD-CG2 4.4Å; K70-T72 HydrophobicContact CG-CG2 4.34Å; K70-Y75 HydrophobicContact CD-CE2 4.11Å; K70-Y75 HydrophobicContact CG-CE2 4.48Å; K70-Y75 PolarHBondContact NZ-OH 3.4Å; K70-R77 HydrophobicContact CB-CB 4.24Å; K70-R77 PolarHBondContact N-O 3.16Å; K70-R77 VanDerWaalsContact N-O 3.08Å; K70-R77 PolarHBondContact O-N 2.98Å
71S93.1Very high91.4Very high57 Ų5764.6 Ų64.640%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-127.7130.4170.9-154.70000108.6N47N47-S71 PolarHBondContact ND2-OG 3.08Å
72T91Very high91.5Very high39 Ų3962.4 Ų62.424%0.23931%0.314CS..  trans-128.9-177.916973.20000109.4K70 D74 Y75K70-T72 HydrophobicContact CD-CG2 4.4Å; K70-T72 HydrophobicContact CG-CG2 4.34Å; T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact OG1-N 2.98Å; T72-D74 PolarHBondContact OG1-OD2 3.12Å; T72-Y75 HydrophobicContact CG2-CE1 4.23Å; T72-Y75 HydrophobicContact CG2-CE2 4.21Å; T72-Y75 PolarHBondContact N-O 2.89Å; T72-Y75 WeakPolarHBondContact OG1-CD1 3.19Å; T72-Y75 PolarHBondContact OG1-N 3.49Å; T72-Y75 VanDerWaalsContact OG1-N 3.11Å; T72-Y75 PolarHBondContact OG1-O 2.88Å
73L85.2Confident91.3Very high154 Ų15457.1 Ų57.181%0.80629%0.29SS*.SBendtrans-69.7-27.7172.3-61.6176.5000112L35L35-L73 WeakPolarHBondContact CB-O 3.32Å
74D89.5Confident91.2Very high92 Ų9256.5 Ų56.549%0.49229%0.288SS..SBendtrans-97.4-22.6-173.7-31.2-90.5000113.6A34 L35 T72A34-D74 WeakPolarHBondContact CA-O 3.11Å; L35-D74 PolarHBondContact N-O 3.48Å; T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 PolarHBondContact OG1-N 2.98Å; T72-D74 PolarHBondContact OG1-OD2 3.12Å
75Y92.6Very high91Very high66 Ų6657.9 Ų57.926%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-157.4154.117760.9-92.5000114.4V33 K70 T72 R77V33-Y75 CarbonylContact O-C 3.6Å; V33-Y75 WeakPolarHBondContact O-CA 3.41Å; V33-Y75 WeakPolarHBondContact O-CB 3.32Å; K70-Y75 HydrophobicContact CD-CE2 4.11Å; K70-Y75 HydrophobicContact CG-CE2 4.48Å; K70-Y75 PolarHBondContact NZ-OH 3.4Å; T72-Y75 HydrophobicContact CG2-CE1 4.23Å; T72-Y75 HydrophobicContact CG2-CE2 4.21Å; T72-Y75 PolarHBondContact N-O 2.89Å; T72-Y75 WeakPolarHBondContact OG1-CD1 3.19Å; T72-Y75 PolarHBondContact OG1-N 3.49Å; T72-Y75 VanDerWaalsContact OG1-N 3.11Å; T72-Y75 PolarHBondContact OG1-O 2.88Å; Y75-R77 HydrophobicContact CD2-CB 4.3Å; Y75-R77 HydrophobicContact CE2-CB 4.44Å
76I94.4Very high90.8Very high0 Ų061 Ų610%030%0.302CS..EExtended strand (participates in β ladder)trans-110.5124.4163.9-49.6171.8000108S32 V33 L35 N47 V50 I68 F78S32-I76 CarbonylContact C-O 3.55Å; S32-I76 WeakPolarHBondContact CA-O 3.27Å; V33-I76 PolarHBondContact N-O 3.37Å; V33-I76 PolarHBondContact O-N 3.1Å; L35-I76 HydrophobicContact CD1-CD1 4.34Å; L35-I76 HydrophobicContact CD1-CG1 3.96Å; L35-I76 HydrophobicContact CD2-CD1 4.09Å; L35-I76 HydrophobicContact CD2-CG1 4.17Å; L35-I76 HydrophobicContact CG-CG1 4.24Å; N47-I76 HydrophobicContact CB-CD1 4.29Å; N47-I76 WeakPolarHBondContact OD1-CD1 3.49Å; V50-I76 HydrophobicContact CB-CD1 4.04Å; V50-I76 HydrophobicContact CG1-CD1 4.22Å; V50-I76 HydrophobicContact CG2-CD1 3.95Å; I68-I76 HydrophobicContact CG2-CG2 4.19Å; I76-F78 HydrophobicContact CB-CE2 3.98Å; I76-F78 HydrophobicContact CB-CZ 4.18Å; I76-F78 HydrophobicContact CG2-CD2 4.24Å; I76-F78 HydrophobicContact CG2-CE1 3.98Å; I76-F78 HydrophobicContact CG2-CE2 3.62Å; I76-F78 HydrophobicContact CG2-CZ 3.48Å; I76-F78 VanDerWaalsContact CG2-CZ 3.48Å
77R95.1Very high90.6Very high100 Ų10061.5 Ų61.538%0.37731%0.307SS..EExtended strand (participates in β ladder)trans-105.8119.8174.5-178.6173.9-72.3-175.50.8110T30 I31 S32 S69 K70 Y75T30-R77 VanDerWaalsContact CG2-CD 3.5Å; T30-R77 HydrophobicContact CG2-CG 3.56Å; I31-R77 CarbonylContact O-C 3.47Å; I31-R77 WeakPolarHBondContact O-CA 3.4Å; S32-R77 PolarHBondContact OG-NE 3.14Å; S32-R77 VanDerWaalsContact OG-NE 3.14Å; S69-R77 PolarHBondContact N-O 3.11Å; K70-R77 HydrophobicContact CB-CB 4.24Å; K70-R77 PolarHBondContact N-O 3.16Å; K70-R77 VanDerWaalsContact N-O 3.08Å; K70-R77 PolarHBondContact O-N 2.98Å; Y75-R77 HydrophobicContact CD2-CB 4.3Å; Y75-R77 HydrophobicContact CE2-CB 4.44Å
78F95.3Very high90.4Very high0 Ų053.8 Ų53.80%028%0.277CS..EExtended strand (participates in β ladder)trans-100.7145.6171.9-52.1-92.1000110.8T30 I31 V33 V50 M51 V54 L66 R67 I68 I76T30-F78 WeakPolarHBondContact CA-O 3.42Å; I31-F78 HydrophobicContact CB-CB 4.37Å; I31-F78 PolarHBondContact N-O 3.15Å; I31-F78 PolarHBondContact O-N 2.76Å; V33-F78 HydrophobicContact CG2-CD2 4.42Å; V33-F78 HydrophobicContact CG2-CE2 3.99Å; V50-F78 HydrophobicContact CB-CZ 4.28Å; V50-F78 HydrophobicContact CG1-CE2 3.83Å; V50-F78 HydrophobicContact CG1-CZ 3.86Å; M51-F78 HydrophobicContact CB-CE1 3.86Å; M51-F78 HydrophobicContact CB-CZ 4.29Å; M51-F78 HydrophobicContact CE-CD1 4.1Å; M51-F78 HydrophobicContact CE-CE1 3.9Å; M51-F78 HydrophobicContact CG-CE1 4.15Å; V54-F78 HydrophobicContact CG2-CE2 4.47Å; L66-F78 HydrophobicContact CD1-CB 3.8Å; L66-F78 HydrophobicContact CD1-CG 4.41Å; L66-F78 HydrophobicContact CG-CD1 4.49Å; R67-F78 CarbonylContact O-C 3.49Å; R67-F78 WeakPolarHBondContact O-CA 3.44Å; I68-F78 HydrophobicContact CD1-CE1 4.48Å; I68-F78 HydrophobicContact CG1-CD1 3.82Å; I68-F78 HydrophobicContact CG1-CE1 3.67Å; I76-F78 HydrophobicContact CB-CE2 3.98Å; I76-F78 HydrophobicContact CB-CZ 4.18Å; I76-F78 HydrophobicContact CG2-CD2 4.24Å; I76-F78 HydrophobicContact CG2-CE1 3.98Å; I76-F78 HydrophobicContact CG2-CE2 3.62Å; I76-F78 HydrophobicContact CG2-CZ 3.48Å; I76-F78 VanDerWaalsContact CG2-CZ 3.48Å
79E93.8Very high90.1Very high60 Ų6056.9 Ų56.928%0.2829%0.288SS..EExtended strand (participates in β ladder)trans-101.7120.2161.7-174.5-175.2171.100107.4K28 R67K28-E79 WeakPolarHBondContact CD-OE1 3.49Å; K28-E79 WeakPolarHBondContact CE-OE1 3.39Å; K28-E79 IonicContact NZ-OE1 3.6Å; K28-E79 PolarHBondContact NZ-OE1 2.74Å; R67-E79 PolarHBondContact N-O 2.73Å; R67-E79 PolarHBondContact O-N 3.36Å
80G91.8Very high89.9Confident0 Ų055.3 Ų55.30%028%0.277CS..EExtended strand (participates in β ladder)trans-109.5118.7175.800000110.4K28 M29 A65K28-G80 CarbonylContact C-O 3.48Å; K28-G80 WeakPolarHBondContact CA-O 3.3Å; M29-G80 PolarHBondContact N-O 3.41Å; M29-G80 PolarHBondContact O-N 3.16Å; A65-G80 WeakPolarHBondContact O-CA 3.47Å
81E90.4Very high89.8Confident22 Ų2250.4 Ų50.410%0.10326%0.256CS..EExtended strand (participates in β ladder)trans-97.3137.2165.6-167.6170.8150.300109.2K28 F63 S64 A65 K238K28-E81 WeakPolarHBondContact CE-OE2 3.36Å; K28-E81 HydrophobicContact CG-CB 4.1Å; K28-E81 HydrophobicContact CG-CG 3.96Å; K28-E81 IonicContact NZ-OE2 3.73Å; F63-E81 CarbonylContact C-O 3.52Å; S64-E81 PolarHBondContact N-O 3.08Å; A65-E81 HydrophobicContact CB-CB 4.4Å; A65-E81 PolarHBondContact N-O 2.92Å; A65-E81 PolarHBondContact O-N 2.7Å; E81-K238 IonicContact OE1-NZ 3.29Å; E81-K238 PolarHBondContact OE1-NZ 2.82Å
82V89.8Confident89.8Confident2 Ų249.1 Ų49.11%0.01225%0.245CC..  trans-124.4155.8-173.6-172.50000107.3A27 M29 F63 V87 V88 L91A27-V82 HydrophobicContact CB-CB 4.3Å; A27-V82 WeakPolarHBondContact CB-O 3.42Å; A27-V82 PolarHBondContact O-N 3.34Å; M29-V82 HydrophobicContact CE-CG2 4.11Å; F63-V82 HydrophobicContact CD1-CG2 3.97Å; F63-V82 HydrophobicContact CE1-CG2 4.31Å; V82-V87 HydrophobicContact CG1-CB 3.81Å; V82-V87 HydrophobicContact CG1-CG1 3.67Å; V82-V88 HydrophobicContact CB-CG2 3.9Å; V82-V88 HydrophobicContact CG1-CG2 4.35Å; V82-V88 HydrophobicContact CG2-CG2 3.91Å; V82-L91 HydrophobicContact CB-CD1 4.33Å; V82-L91 HydrophobicContact CG1-CD1 3.79Å; V82-L91 HydrophobicContact CG2-CD1 3.49Å; V82-L91 VanDerWaalsContact CG2-CD1 3.49Å
83E83.6Confident89.8Confident44 Ų4453 Ų5321%0.20627%0.268CS..SBendtrans-69.9-40.9-178.9-69.8-142.1127.800112.2H7 D8 K24 S64H7-E83 IonicContact CD2-OE1 2.87Å; H7-E83 IonicContact CG-OE1 3.59Å; H7-E83 PolarHBondContact N-OE1 3.35Å; D8-E83 VanDerWaalsContact CB-OE2 3.31Å; D8-E83 WeakPolarHBondContact CB-OE2 3.46Å; D8-E83 PolarHBondContact N-OE2 3.19Å; K24-E83 WeakPolarHBondContact CE-O 3.39Å; K24-E83 PolarHBondContact NZ-O 2.85Å; S64-E83 WeakPolarHBondContact OG-CG 3.42Å; S64-E83 PolarHBondContact OG-N 2.8Å
84N86.2Confident90.1Very high18 Ų1848.6 Ų48.610%0.09624%0.241CC..  trans-128.3143.5-168.9-68.6-5.1000111.9D8 E11 K24 T86 V87 V88D8-N84 PolarHBondContact OD2-ND2 2.9Å; E11-N84 HydrophobicContact CG-CB 4.38Å; E11-N84 WeakPolarHBondContact OE1-CB 3.22Å; E11-N84 WeakPolarHBondContact OE2-CA 3.11Å; K24-N84 PolarHBondContact NZ-OD1 3.18Å; N84-T86 VanDerWaalsContact C-N 3.35Å; N84-V87 HydrophobicContact CB-CG2 4.06Å; N84-V87 PolarHBondContact O-N 3.42Å; N84-V88 PolarHBondContact O-N 3.06Å
85K84.6Confident90.3Very high91 Ų9144.2 Ų44.240%0.39622%0.217SC..Hα-helixtrans-73-27.6-178.9-172.8165-174.5153.50112.7E11 A27 V88 E115E11-K85 VanDerWaalsContact CD-N 3.3Å; E11-K85 PolarHBondContact OE1-N 3.37Å; E11-K85 VanDerWaalsContact OE1-N 3.08Å; E11-K85 WeakPolarHBondContact OE2-CB 3.29Å; E11-K85 PolarHBondContact OE2-N 3.39Å; A27-K85 HydrophobicContact CB-CB 4.4Å; K85-V88 PolarHBondContact O-N 3.04Å; K85-E115 WeakPolarHBondContact CE-OE1 3.35Å; K85-E115 IonicContact NZ-OE1 2.89Å; K85-E115 PolarHBondContact NZ-OE1 2.76Å
86T83.8Confident90.3Very high94 Ų9443.8 Ų43.858%0.57722%0.22SC*.Hα-helixtrans-54.5-50.3166.641.70000111.9E11 N84 V88 K89E11-T86 PolarHBondContact OE1-N 2.95Å; E11-T86 VanDerWaalsContact OE1-N 3.12Å; E11-T86 PolarHBondContact OE1-OG1 3.3Å; N84-T86 VanDerWaalsContact C-N 3.35Å; T86-V88 VanDerWaalsContact C-N 3.35Å; T86-V88 PolarHBondContact O-N 3.12Å; T86-K89 PolarHBondContact O-N 3.08Å
87V87.8Confident90.2Very high37 Ų3746.6 Ų46.622%0.22425%0.249CC..Hα-helixtrans-64.2-36.3-179.1-178.60000111.8E61 V82 N84 K89 S90 L91E61-V87 HydrophobicContact CB-CG1 4.06Å; E61-V87 HydrophobicContact CG-CG1 3.99Å; V82-V87 HydrophobicContact CG1-CB 3.81Å; V82-V87 HydrophobicContact CG1-CG1 3.67Å; N84-V87 HydrophobicContact CB-CG2 4.06Å; N84-V87 PolarHBondContact O-N 3.42Å; V87-K89 PolarHBondContact O-N 2.89Å; V87-K89 VanDerWaalsContact O-N 3.14Å; V87-S90 WeakPolarHBondContact O-CB 3.35Å; V87-S90 PolarHBondContact O-N 3.04Å; V87-L91 HydrophobicContact CG1-CD1 3.78Å; V87-L91 HydrophobicContact CG1-CG 3.95Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.39Å
88V88.9Confident90.1Very high1 Ų146.4 Ų46.41%0.00625%0.25CS..Hα-helixtrans-53-37.1175.7168.40000112.8A27 M29 V82 N84 K85 T86 L92 E115A27-V88 HydrophobicContact CB-CG2 3.71Å; M29-V88 HydrophobicContact CE-CB 4.13Å; M29-V88 HydrophobicContact CE-CG1 3.86Å; M29-V88 HydrophobicContact CE-CG2 4.09Å; V82-V88 HydrophobicContact CB-CG2 3.9Å; V82-V88 HydrophobicContact CG1-CG2 4.35Å; V82-V88 HydrophobicContact CG2-CG2 3.91Å; N84-V88 PolarHBondContact O-N 3.06Å; K85-V88 PolarHBondContact O-N 3.04Å; T86-V88 VanDerWaalsContact C-N 3.35Å; T86-V88 PolarHBondContact O-N 3.12Å; V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CB 3.26Å; V88-L92 WeakPolarHBondContact O-CD1 3.25Å; V88-L92 VanDerWaalsContact O-CG 3.24Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.24Å; V88-E115 HydrophobicContact CG1-CB 4.48Å; V88-E115 HydrophobicContact CG1-CG 4.1Å
89K87.9Confident90.1Very high139 Ų13950.2 Ų50.260%0.60427%0.274SS*.Hα-helixtrans-69-42.1177.8-65.4-176177.9-178.40112.5T86 V87 L92 T93T86-K89 PolarHBondContact O-N 3.08Å; V87-K89 PolarHBondContact O-N 2.89Å; V87-K89 VanDerWaalsContact O-N 3.14Å; K89-L92 PolarHBondContact O-N 2.92Å; K89-T93 PolarHBondContact O-N 2.94Å; K89-T93 PolarHBondContact O-OG1 3.09Å
90S89.9Confident90Very high43 Ų4347.7 Ų47.730%0.30126%0.262SS..Hα-helixtrans-59.5-52.1173.9-176.50000110.5E61 V87 L92 T93 R94E61-S90 VanDerWaalsContact CD-OG 3.27Å; E61-S90 VanDerWaalsContact OE1-CB 3.24Å; E61-S90 WeakPolarHBondContact OE1-CB 3.47Å; E61-S90 PolarHBondContact OE1-OG 2.93Å; E61-S90 WeakPolarHBondContact OE2-CB 3.24Å; E61-S90 PolarHBondContact OE2-OG 3.05Å; V87-S90 WeakPolarHBondContact O-CB 3.35Å; V87-S90 PolarHBondContact O-N 3.04Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.41Å; S90-T93 PolarHBondContact O-N 2.82Å; S90-R94 WeakPolarHBondContact O-CB 3.46Å; S90-R94 VanDerWaalsContact O-CG 3.26Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 3.45Å
91L91.5Very high90Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-56.1-39.5177.7-66.4175.4000113.2M29 V58 E61 F63 V82 V87 R94 L95M29-L91 HydrophobicContact CE-CB 3.44Å; M29-L91 VanDerWaalsContact CE-CB 3.44Å; M29-L91 HydrophobicContact CE-CD1 3.73Å; M29-L91 HydrophobicContact CE-CG 4.23Å; M29-L91 HydrophobicContact SD-CB 4.19Å; V58-L91 HydrophobicContact CB-CD2 3.4Å; V58-L91 HydrophobicContact CG1-CD2 3.39Å; V58-L91 HydrophobicContact CG2-CD2 4.38Å; E61-L91 HydrophobicContact CB-CD2 3.85Å; E61-L91 WeakPolarHBondContact OE2-CD2 3.16Å; E61-L91 VanDerWaalsContact OE2-CG 3.3Å; E61-L91 WeakPolarHBondContact OE2-CG 3.39Å; F63-L91 HydrophobicContact CE1-CD1 4.29Å; V82-L91 HydrophobicContact CB-CD1 4.33Å; V82-L91 HydrophobicContact CG1-CD1 3.79Å; V82-L91 HydrophobicContact CG2-CD1 3.49Å; V82-L91 VanDerWaalsContact CG2-CD1 3.49Å; V87-L91 HydrophobicContact CG1-CD1 3.78Å; V87-L91 HydrophobicContact CG1-CG 3.95Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.39Å; L91-R94 CarbonylContact O-C 3.55Å; L91-R94 PolarHBondContact O-N 3.14Å; L91-L95 VanDerWaalsContact O-CB 3.3Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3Å
92L92.4Very high89.8Confident30 Ų3053.4 Ų53.416%0.15729%0.287CS..Hα-helixtrans-62.9-51.3175.5-78.1161.3000111.9V88 K89 S90 R94 L95 D96 A113 E115V88-L92 HydrophobicContact CG1-CD1 3.81Å; V88-L92 HydrophobicContact CG1-CG 4.48Å; V88-L92 WeakPolarHBondContact O-CB 3.26Å; V88-L92 WeakPolarHBondContact O-CD1 3.25Å; V88-L92 VanDerWaalsContact O-CG 3.24Å; V88-L92 WeakPolarHBondContact O-CG 3.36Å; V88-L92 PolarHBondContact O-N 3.24Å; K89-L92 PolarHBondContact O-N 2.92Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.41Å; L92-R94 PolarHBondContact O-N 2.98Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-L95 VanDerWaalsContact O-N 3.1Å; L92-D96 PolarHBondContact O-N 3.19Å; L92-A113 VanDerWaalsContact CD2-C 3.43Å; L92-A113 HydrophobicContact CD2-CB 3.89Å; L92-A113 WeakPolarHBondContact CD2-O 3.06Å; L92-E115 HydrophobicContact CD1-CB 3.93Å
93T90.9Very high89.6Confident119 Ų11957.7 Ų57.773%0.7332%0.317SS*.Hα-helixtrans-60.6-26.6173.6-52.50000112.1K89 S90K89-T93 PolarHBondContact O-N 2.94Å; K89-T93 PolarHBondContact O-OG1 3.09Å; S90-T93 PolarHBondContact O-N 2.82Å
94R91.2Very high89.4Confident62 Ų6258.2 Ų58.223%0.23434%0.335CS..Hα-helixtrans-82-18176.7-72.6-177.364.3140.68.7114.8M57 V58 A59 S90 L91 L92 K98M57-R94 PolarHBondContact O-NE 2.86Å; M57-R94 VanDerWaalsContact O-NE 3.09Å; M57-R94 PolarHBondContact O-NH2 3.29Å; V58-R94 VanDerWaalsContact C-CZ 3.46Å; V58-R94 VanDerWaalsContact C-NH2 3.27Å; V58-R94 PolarHBondContact O-NH1 3.18Å; V58-R94 VanDerWaalsContact O-NH1 3.09Å; V58-R94 PolarHBondContact O-NH2 3.46Å; A59-R94 VanDerWaalsContact O-CZ 3.23Å; A59-R94 PolarHBondContact O-NH1 3.27Å; A59-R94 PolarHBondContact O-NH2 2.82Å; S90-R94 WeakPolarHBondContact O-CB 3.46Å; S90-R94 VanDerWaalsContact O-CG 3.26Å; S90-R94 WeakPolarHBondContact O-CG 3.48Å; S90-R94 PolarHBondContact O-N 3.45Å; L91-R94 CarbonylContact O-C 3.55Å; L91-R94 PolarHBondContact O-N 3.14Å; L92-R94 PolarHBondContact O-N 2.98Å; R94-K98 WeakPolarHBondContact O-CD 3.4Å; R94-K98 WeakPolarHBondContact O-CE 3.43Å; R94-K98 PolarHBondContact O-NZ 3.29Å
95L94.1Very high89.1Confident0 Ų058.9 Ų58.90%034%0.337CS..Hα-helixtrans-120.8-41.1-171.8-70169.3000114.8M29 I31 V54 M57 V58 F63 L91 L92 K98 V111 A113M29-L95 HydrophobicContact SD-CD1 4.13Å; I31-L95 HydrophobicContact CD1-CD1 3.73Å; I31-L95 HydrophobicContact CG1-CD1 4.15Å; V54-L95 HydrophobicContact CG1-CD2 4.44Å; M57-L95 HydrophobicContact CB-CD2 3.84Å; M57-L95 HydrophobicContact CE-CD2 4.11Å; M57-L95 HydrophobicContact SD-CD2 4.24Å; V58-L95 HydrophobicContact CG1-CD1 3.82Å; V58-L95 HydrophobicContact CG1-CD2 4.01Å; V58-L95 HydrophobicContact CG1-CG 4Å; F63-L95 HydrophobicContact CZ-CD1 4.16Å; L91-L95 VanDerWaalsContact O-CB 3.3Å; L91-L95 WeakPolarHBondContact O-CB 3.48Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.39Å; L91-L95 PolarHBondContact O-N 3Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-L95 VanDerWaalsContact O-N 3.1Å; L95-K98 PolarHBondContact O-N 3.19Å; L95-V111 HydrophobicContact CB-CG1 4.32Å; L95-V111 HydrophobicContact CD2-CG1 4.5Å; L95-V111 WeakPolarHBondContact O-CB 3.41Å; L95-V111 WeakPolarHBondContact O-CG1 3.43Å; L95-A113 HydrophobicContact CB-CB 3.71Å
96D93.9Very high88.9Confident58 Ų5860.3 Ų60.331%0.3135%0.353SS..THydrogen-bonded Turntrans-67.8137.2-175-160.947.3000111.5L92 K98 R112 A113L92-D96 PolarHBondContact O-N 3.19Å; D96-K98 PolarHBondContact O-N 3.21Å; D96-R112 WeakPolarHBondContact OD1-CA 3.5Å; D96-R112 IonicContact OD1-CZ 2.69Å; D96-R112 IonicContact OD1-NE 3.95Å; D96-R112 PolarHBondContact OD1-NE 3.2Å; D96-R112 IonicContact OD1-NH2 3.91Å; D96-R112 PolarHBondContact OD1-NH2 3.1Å; D96-R112 IonicContact OD2-CZ 3.21Å; D96-R112 IonicContact OD2-NE 3.62Å; D96-R112 PolarHBondContact OD2-NE 3.47Å; D96-R112 IonicContact OD2-NH2 2.86Å; D96-R112 PolarHBondContact OD2-NH2 2.89Å; D96-A113 HydrophobicContact CB-CB 4.24Å; D96-A113 PolarHBondContact OD1-N 2.89Å
97G91.8Very high89Confident59 Ų5959.2 Ų59.261%0.60834%0.343SS*.THydrogen-bonded Turntrans72.3-10.1-17900000115.3V111G97-V111 PolarHBondContact N-O 3.18Å
98K93.5Very high89Confident95 Ų9561.1 Ų61.141%0.41336%0.355SS..  trans-79.5174.6178.2-61.4-153.4-164.5164.90112.3M57 R94 L95 D96 V111M57-K98 HydrophobicContact CE-CB 3.51Å; M57-K98 HydrophobicContact CE-CD 4.2Å; M57-K98 HydrophobicContact CE-CG 4.43Å; R94-K98 WeakPolarHBondContact O-CD 3.4Å; R94-K98 WeakPolarHBondContact O-CE 3.43Å; R94-K98 PolarHBondContact O-NZ 3.29Å; L95-K98 PolarHBondContact O-N 3.19Å; D96-K98 PolarHBondContact O-N 3.21Å; K98-V111 WeakPolarHBondContact O-CB 3.38Å; K98-V111 PolarHBondContact O-N 2.81Å
99T93.5Very high89.1Confident81 Ų8161.2 Ų61.250%0.49736%0.356SS..EExtended strand (participates in β ladder)trans-134.7152.5-17262.30000113L109 K110T99-L109 CarbonylContact C-O 3.44Å; T99-L109 WeakPolarHBondContact CA-O 3.13Å; T99-L109 WeakPolarHBondContact CB-O 3.47Å; T99-K110 HydrophobicContact CG2-CG 4.38Å
100I92.9Very high89.4Confident6 Ų661.6 Ų61.63%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-121128.1179.1-67.4167.5000109V33 R53 V54 M57 L102 V108 L109 V111V33-I100 HydrophobicContact CG1-CD1 4.46Å; V33-I100 HydrophobicContact CG2-CD1 4.42Å; R53-I100 HydrophobicContact CB-CD1 4.03Å; R53-I100 HydrophobicContact CB-CG1 4.24Å; R53-I100 HydrophobicContact CB-CG2 3.63Å; R53-I100 HydrophobicContact CG-CG2 3.74Å; V54-I100 HydrophobicContact CG2-CD1 3.87Å; M57-I100 HydrophobicContact SD-CD1 3.72Å; M57-I100 HydrophobicContact SD-CG1 3.37Å; M57-I100 WeakPolarHBondContact SD-CG1 3.01Å; I100-L102 HydrophobicContact CG2-CD2 3.63Å; I100-L102 HydrophobicContact CG2-CG 4.38Å; I100-V108 WeakPolarHBondContact O-CG1 3.35Å; I100-L109 HydrophobicContact CB-CB 4.23Å; I100-L109 PolarHBondContact N-O 3.07Å; I100-L109 PolarHBondContact O-N 3.19Å; I100-V111 HydrophobicContact CD1-CG2 3.62Å; I100-V111 HydrophobicContact CG1-CG2 3.79Å
101K90.4Very high89.7Confident137 Ų13759.6 Ų59.660%0.59634%0.343SS*.EExtended strand (participates in β ladder)trans-104.8110.3170.2-172.1176.6-178.2178.60110.2R53 V108R53-K101 PolarHBondContact NH1-O 3.44Å; R53-K101 PolarHBondContact NH2-O 2.96Å; K101-V108 HydrophobicContact CB-CG1 4.32Å
102L88Confident89.9Confident6 Ų666.5 Ų66.53%0.03137%0.369CS..  trans-76.7164.4177.2-60.1-172.6000112.2I45 E49 V50 R53 I100 F105 L109I45-L102 HydrophobicContact CB-CD1 4.24Å; I45-L102 HydrophobicContact CD1-CD1 4.09Å; I45-L102 HydrophobicContact CG1-CD1 3.89Å; I45-L102 HydrophobicContact CG2-CD1 3.47Å; I45-L102 VanDerWaalsContact CG2-CD1 3.47Å; E49-L102 HydrophobicContact CG-CD2 4.07Å; V50-L102 HydrophobicContact CG2-CD1 3.98Å; V50-L102 HydrophobicContact CG2-CD2 4.23Å; R53-L102 HydrophobicContact CG-CD2 3.94Å; I100-L102 HydrophobicContact CG2-CD2 3.63Å; I100-L102 HydrophobicContact CG2-CG 4.38Å; L102-F105 HydrophobicContact CB-CD2 3.97Å; L102-F105 HydrophobicContact CD1-CD2 4.41Å; L102-L109 HydrophobicContact CD1-CD1 3.76Å; L102-L109 HydrophobicContact CD2-CD1 4.3Å; L102-L109 HydrophobicContact CG-CD1 3.85Å; L102-L109 HydrophobicContact CG-CG 4.4Å
103S83.9Confident90Very high91 Ų9165.3 Ų65.364%0.63636%0.364SS*.THydrogen-bonded Turntrans-75.7141.1172.9-163.30000111.1E49 F105E49-S103 PolarHBondContact OE1-N 3.46Å; S103-F105 VanDerWaalsContact O-CD2 3.25Å; S103-F105 WeakPolarHBondContact O-CD2 3.38Å; S103-F105 PolarHBondContact O-N 2.8Å
104G80.2Confident90.1Very high56 Ų5663.9 Ų63.958%0.57736%0.355SS*.THydrogen-bonded Turntrans73.63.2177.700000116.7K43K43-G104 PolarHBondContact NZ-O 3.01Å
105F80.7Confident90.1Very high32 Ų3264.1 Ų64.114%0.1436%0.358CS..  trans-117.4139.8174.4-65.2-85000111.3L38 K43 S44 I45 L102 S103L38-F105 HydrophobicContact CD1-CE1 4.24Å; L38-F105 HydrophobicContact CD2-CD1 3.97Å; L38-F105 HydrophobicContact CD2-CE1 3.67Å; K43-F105 HydrophobicContact CB-CE1 4.12Å; K43-F105 HydrophobicContact CB-CZ 4.3Å; K43-F105 HydrophobicContact CD-CE1 4.28Å; S44-F105 WeakPolarHBondContact O-CZ 3.24Å; I45-F105 HydrophobicContact CD1-CE1 4.45Å; I45-F105 HydrophobicContact CG1-CD1 4.43Å; I45-F105 HydrophobicContact CG1-CD2 4.28Å; I45-F105 HydrophobicContact CG1-CE1 3.94Å; I45-F105 HydrophobicContact CG1-CE2 3.77Å; I45-F105 HydrophobicContact CG1-CZ 3.58Å; L102-F105 HydrophobicContact CB-CD2 3.97Å; L102-F105 HydrophobicContact CD1-CD2 4.41Å; S103-F105 VanDerWaalsContact O-CD2 3.25Å; S103-F105 WeakPolarHBondContact O-CD2 3.38Å; S103-F105 PolarHBondContact O-N 2.8Å
106T80.4Confident89.6Confident120 Ų12067.1 Ų67.174%0.73637%0.374SS*.  trans-75.8-36.1171.841.80000112.1
107D84.4Confident88.8Confident71 Ų7173.3 Ų73.338%0.3840%0.398SS..SBendtrans-81.8138.8-164.2-52-15.9000110.7P36P36-D107 HydrophobicContact CB-CB 3.73Å; P36-D107 VanDerWaalsContact CB-OD2 3.28Å; P36-D107 WeakPolarHBondContact CB-OD2 3.14Å; P36-D107 HydrophobicContact CG-CB 3.73Å
108V88.8Confident88.2Confident78 Ų7873.1 Ų73.147%0.47339%0.385SS..EExtended strand (participates in β ladder)trans-98.8120.7-176-151.90000110I100 K101I100-V108 WeakPolarHBondContact O-CG1 3.35Å; K101-V108 HydrophobicContact CB-CG1 4.32Å
109L91.4Very high87.6Confident3 Ų376.4 Ų76.42%0.01641%0.407CS..EExtended strand (participates in β ladder)trans-74.3133.1-177.5-47.1-169.6000109.8V33 A34 L35 P36 I45 V50 T99 I100 L102V33-L109 HydrophobicContact CG1-CB 3.71Å; V33-L109 HydrophobicContact CG1-CD1 3.87Å; V33-L109 HydrophobicContact CG1-CG 4.46Å; A34-L109 WeakPolarHBondContact O-CB 3.47Å; L35-L109 HydrophobicContact CD2-CD1 4.1Å; P36-L109 HydrophobicContact CG-CD2 3.67Å; I45-L109 HydrophobicContact CD1-CD2 4.22Å; V50-L109 HydrophobicContact CG2-CD1 4.02Å; T99-L109 CarbonylContact C-O 3.44Å; T99-L109 WeakPolarHBondContact CA-O 3.13Å; T99-L109 WeakPolarHBondContact CB-O 3.47Å; I100-L109 HydrophobicContact CB-CB 4.23Å; I100-L109 PolarHBondContact N-O 3.07Å; I100-L109 PolarHBondContact O-N 3.19Å; L102-L109 HydrophobicContact CD1-CD1 3.76Å; L102-L109 HydrophobicContact CD2-CD1 4.3Å; L102-L109 HydrophobicContact CG-CD1 3.85Å; L102-L109 HydrophobicContact CG-CG 4.4Å
110K93.4Very high87.4Confident147 Ų14773.4 Ų73.464%0.63939%0.388SS*.EExtended strand (participates in β ladder)trans-91.3129177.4-65.6-178.2179.9179.30110.2V33 A34 T99V33-K110 WeakPolarHBondContact CA-O 3.26Å; A34-K110 HydrophobicContact CB-CB 4.37Å; A34-K110 PolarHBondContact N-O 3.43Å; T99-K110 HydrophobicContact CG2-CG 4.38Å
111V96.1Very high87.4Confident0 Ų074.1 Ų74.10%039%0.393CS..EExtended strand (participates in β ladder)trans-98.3131.3177.6-172.60000109.1I31 V33 M57 L95 G97 K98 I100I31-V111 HydrophobicContact CG2-CG1 3.82Å; V33-V111 HydrophobicContact CG2-CG1 4.48Å; V33-V111 HydrophobicContact CG2-CG2 4.31Å; M57-V111 HydrophobicContact CE-CG2 4.29Å; M57-V111 HydrophobicContact SD-CG2 4.31Å; L95-V111 HydrophobicContact CB-CG1 4.32Å; L95-V111 HydrophobicContact CD2-CG1 4.5Å; L95-V111 WeakPolarHBondContact O-CB 3.41Å; L95-V111 WeakPolarHBondContact O-CG1 3.43Å; G97-V111 PolarHBondContact N-O 3.18Å; K98-V111 WeakPolarHBondContact O-CB 3.38Å; K98-V111 PolarHBondContact O-N 2.81Å; I100-V111 HydrophobicContact CD1-CG2 3.62Å; I100-V111 HydrophobicContact CG1-CG2 3.79Å
112R95.3Very high87.5Confident146 Ų14669.9 Ų69.955%0.55138%0.379SS*.EExtended strand (participates in β ladder)trans-120.7133.3166-63.4-57.4-50.5-106.39.7109.8I31 S32 D96I31-R112 CarbonylContact C-O 3.57Å; I31-R112 WeakPolarHBondContact CA-O 3.08Å; S32-R112 PolarHBondContact N-O 2.61Å; S32-R112 PolarHBondContact O-N 3.28Å; D96-R112 WeakPolarHBondContact OD1-CA 3.5Å; D96-R112 IonicContact OD1-CZ 2.69Å; D96-R112 IonicContact OD1-NE 3.95Å; D96-R112 PolarHBondContact OD1-NE 3.2Å; D96-R112 IonicContact OD1-NH2 3.91Å; D96-R112 PolarHBondContact OD1-NH2 3.1Å; D96-R112 IonicContact OD2-CZ 3.21Å; D96-R112 IonicContact OD2-NE 3.62Å; D96-R112 PolarHBondContact OD2-NE 3.47Å; D96-R112 IonicContact OD2-NH2 2.86Å; D96-R112 PolarHBondContact OD2-NH2 2.89Å
113A95Very high87.8Confident5 Ų576.6 Ų76.64%0.04140%0.403CS..EExtended strand (participates in β ladder)trans-131.1136.8-179.200000111T30 I31 L92 L95 D96T30-A113 WeakPolarHBondContact O-CA 3.1Å; I31-A113 HydrophobicContact CG1-CB 4.32Å; L92-A113 VanDerWaalsContact CD2-C 3.43Å; L92-A113 HydrophobicContact CD2-CB 3.89Å; L92-A113 WeakPolarHBondContact CD2-O 3.06Å; L95-A113 HydrophobicContact CB-CB 3.71Å; D96-A113 HydrophobicContact CB-CB 4.24Å; D96-A113 PolarHBondContact OD1-N 2.89Å
114V93.1Very high88.2Confident89 Ų8978.4 Ų78.454%0.53940%0.401SS..EExtended strand (participates in β ladder)trans-140.2133.9-175.7-173.80000110.2M29 T30 N116M29-V114 CarbonylContact C-O 3.59Å; M29-V114 VanDerWaalsContact CA-O 3.28Å; M29-V114 WeakPolarHBondContact CA-O 3.22Å; M29-V114 WeakPolarHBondContact CB-O 3.36Å; T30-V114 PolarHBondContact N-O 3.31Å; T30-V114 PolarHBondContact O-N 2.81Å; V114-N116 PolarHBondContact O-N 3.36Å
115E90.6Very high88.9Confident67 Ų6779.2 Ų79.231%0.31339%0.393SS..EExtended strand (participates in β ladder)trans-59.2123.2171-171.7176.7161.500109.2K85 V88 L92 K117K85-E115 WeakPolarHBondContact CE-OE1 3.35Å; K85-E115 IonicContact NZ-OE1 2.89Å; K85-E115 PolarHBondContact NZ-OE1 2.76Å; V88-E115 HydrophobicContact CG1-CB 4.48Å; V88-E115 HydrophobicContact CG1-CG 4.1Å; L92-E115 HydrophobicContact CD1-CB 3.93Å; E115-K117 PolarHBondContact O-N 3.29Å
116N85.4Confident89.5Confident62 Ų6277.8 Ų77.833%0.33239%0.386SS..  trans-84101.1-178.2-16731000109.2K28 V114 V118K28-N116 HydrophobicContact CB-CB 4.1Å; K28-N116 PolarHBondContact O-N 2.84Å; V114-N116 PolarHBondContact O-N 3.36Å; N116-V118 PolarHBondContact O-N 3.21Å
117K76Confident90Very high188 Ų18874.2 Ų74.282%0.81736%0.363SS*.PPolyproline II helixtrans-63.9117.5170.5-65.7-176.6-178.5179.50108.2E115 D119E115-K117 PolarHBondContact O-N 3.29Å; K117-D119 PolarHBondContact O-N 2.88Å
118V78.8Confident90.4Very high55 Ų5571.9 Ų71.933%0.33335%0.352SS..PPolyproline II helixtrans-60.9128.7175-178.60000108.6I26 N116 F120I26-V118 HydrophobicContact CB-CG2 3.93Å; I26-V118 HydrophobicContact CD1-CG2 4.19Å; I26-V118 HydrophobicContact CG2-CG2 3.68Å; N116-V118 PolarHBondContact O-N 3.21Å; V118-F120 PolarHBondContact O-N 2.96Å
119D81Confident90.7Very high164 Ų16471.1 Ų71.188%0.87734%0.342SS*.PPolyproline II helixtrans-63.9120.7174.5-172.321.4000109.5K117K117-D119 PolarHBondContact O-N 2.88Å
120F90.3Very high90.6Very high18 Ų1871.3 Ų71.38%0.07934%0.343CS..  trans-163.2129.6-168.4-169.8-81000109.3V118 T122 M231 L234 R235 V255V118-F120 PolarHBondContact O-N 2.96Å; F120-T122 PolarHBondContact O-N 3.03Å; F120-M231 HydrophobicContact CE1-CB 4.46Å; F120-M231 HydrophobicContact CE1-CE 3.88Å; F120-M231 VanDerWaalsContact CE1-O 3.32Å; F120-M231 WeakPolarHBondContact CE1-O 3.42Å; F120-M231 HydrophobicContact CZ-CE 4.1Å; F120-M231 WeakPolarHBondContact CZ-O 3.46Å; F120-M231 HydrophobicContact CZ-SD 4.27Å; F120-L234 HydrophobicContact CE2-CB 4.44Å; F120-L234 HydrophobicContact CZ-CB 4.45Å; F120-R235 HydrophobicContact CB-CG 4.3Å; F120-R235 HydrophobicContact CD1-CB 3.88Å; F120-R235 HydrophobicContact CD1-CG 3.54Å; F120-R235 HydrophobicContact CD2-CB 4.48Å; F120-R235 HydrophobicContact CD2-CG 4.43Å; F120-R235 HydrophobicContact CE1-CB 3.73Å; F120-R235 HydrophobicContact CE1-CG 3.92Å; F120-R235 HydrophobicContact CE2-CB 4.31Å; F120-R235 HydrophobicContact CG-CB 4.28Å; F120-R235 HydrophobicContact CG-CG 3.84Å; F120-R235 HydrophobicContact CZ-CB 3.96Å; F120-V255 HydrophobicContact CE2-CB 3.82Å; F120-V255 HydrophobicContact CE2-CG1 4.28Å; F120-V255 HydrophobicContact CE2-CG2 4.47Å; F120-V255 HydrophobicContact CZ-CB 4.36Å; F120-V255 HydrophobicContact CZ-CG1 4.33Å
121P92.6Very high90.5Very high22 Ų2271 Ų7114%0.14334%0.338CS..  trans-52.5131.2-177.7-28.635.9000113.5W126 M231 I256 F257P121-W126 HydrophobicContact CB-CE3 4.27Å; P121-W126 WeakPolarHBondContact O-CZ3 3.3Å; P121-M231 HydrophobicContact CB-CE 3.96Å; P121-M231 HydrophobicContact CG-CE 4.23Å; P121-I256 HydrophobicContact CG-CG2 4.26Å; P121-F257 HydrophobicContact CB-CD1 3.89Å; P121-F257 HydrophobicContact CB-CE1 3.91Å; P121-F257 HydrophobicContact CG-CD1 4.12Å; P121-F257 HydrophobicContact CG-CE1 4.24Å
122T92.4Very high90.3Very high48 Ų4875.5 Ų75.529%0.29436%0.362SS..  trans-85.1163171.378.60000110.5F120 H124 D125 W126F120-T122 PolarHBondContact O-N 3.03Å; T122-H124 PolarHBondContact O-N 3.45Å; T122-H124 PolarHBondContact OG1-N 3.05Å; T122-D125 WeakPolarHBondContact CA-OD2 3.34Å; T122-D125 VanDerWaalsContact CB-OD2 3.22Å; T122-D125 WeakPolarHBondContact CB-OD2 3.49Å; T122-D125 WeakPolarHBondContact CG2-OD2 3.38Å; T122-D125 PolarHBondContact N-OD2 2.85Å; T122-D125 WeakPolarHBondContact O-CB 3.4Å; T122-D125 PolarHBondContact O-N 3.35Å; T122-D125 VanDerWaalsContact OG1-CG 3.24Å; T122-D125 PolarHBondContact OG1-N 3.46Å; T122-D125 PolarHBondContact OG1-OD2 3.47Å; T122-W126 PolarHBondContact O-N 3.34Å
123R93.4Very high90Very high147 Ų14769.4 Ų69.456%0.55534%0.343SS*.Hα-helixtrans-55.7-35.9175.3179.6171176.3-178.91.5113.2D125 W126 D127 Y224R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 PolarHBondContact O-N 3.29Å; R123-W126 HydrophobicContact CB-CH2 4Å; R123-W126 HydrophobicContact CB-CZ2 3.65Å; R123-W126 HydrophobicContact CG-CZ2 3.81Å; R123-D127 WeakPolarHBondContact CG-OD2 3.44Å; R123-D127 IonicContact CZ-OD2 3.51Å; R123-D127 IonicContact NE-OD2 2.75Å; R123-D127 PolarHBondContact NE-OD2 2.73Å; R123-D127 IonicContact NH2-OD2 3.36Å; R123-D127 PolarHBondContact NH2-OD2 2.79Å; R123-D127 VanDerWaalsContact O-CB 3.23Å; R123-D127 WeakPolarHBondContact O-CB 3.35Å; R123-D127 PolarHBondContact O-N 2.98Å; R123-Y224 PolarHBondContact NE-OH 2.82Å; R123-Y224 PolarHBondContact NH2-OH 3.08Å
124H93.7Very high89.5Confident128 Ų12879.4 Ų79.459%0.59339%0.385SS*.Hα-helixtrans-63.7-37.2176.5-178.865.2000112T122 S128T122-H124 PolarHBondContact O-N 3.45Å; T122-H124 PolarHBondContact OG1-N 3.05Å; H124-S128 WeakPolarHBondContact O-CB 3.11Å; H124-S128 PolarHBondContact O-N 2.97Å
125D93.7Very high89.1Confident74 Ų7480.2 Ų80.240%0.39639%0.386SS..Hα-helixtrans-67.7-41.2-175.2-52.9-50.9000111.6T122 R123 F129T122-D125 WeakPolarHBondContact CA-OD2 3.34Å; T122-D125 VanDerWaalsContact CB-OD2 3.22Å; T122-D125 WeakPolarHBondContact CB-OD2 3.49Å; T122-D125 WeakPolarHBondContact CG2-OD2 3.38Å; T122-D125 PolarHBondContact N-OD2 2.85Å; T122-D125 WeakPolarHBondContact O-CB 3.4Å; T122-D125 PolarHBondContact O-N 3.35Å; T122-D125 VanDerWaalsContact OG1-CG 3.24Å; T122-D125 PolarHBondContact OG1-N 3.46Å; T122-D125 PolarHBondContact OG1-OD2 3.47Å; R123-D125 VanDerWaalsContact C-N 3.31Å; R123-D125 PolarHBondContact O-N 3.29Å; D125-F129 VanDerWaalsContact O-CB 3.27Å; D125-F129 WeakPolarHBondContact O-CB 3.38Å; D125-F129 PolarHBondContact O-N 3.46Å
126W93.6Very high88.9Confident2 Ų278 Ų781%0.00838%0.377CS..Hα-helixtrans-79.7-43.2175.871.568.9000112.7P121 T122 R123 S128 F129 F130 F227 T228 M231 F257P121-W126 HydrophobicContact CB-CE3 4.27Å; P121-W126 WeakPolarHBondContact O-CZ3 3.3Å; T122-W126 PolarHBondContact O-N 3.34Å; R123-W126 HydrophobicContact CB-CH2 4Å; R123-W126 HydrophobicContact CB-CZ2 3.65Å; R123-W126 HydrophobicContact CG-CZ2 3.81Å; W126-S128 PolarHBondContact O-N 3.5Å; W126-F129 PolarHBondContact O-N 3.16Å; W126-F130 HydrophobicContact CB-CD2 4.45Å; W126-F130 HydrophobicContact CB-CE2 4.41Å; W126-F130 VanDerWaalsContact O-CD2 3.3Å; W126-F130 WeakPolarHBondContact O-CD2 3.47Å; W126-F130 PolarHBondContact O-N 3.18Å; W126-F130 VanDerWaalsContact O-N 3.08Å; W126-F227 AromaticContact CD1-CE1 3.89Å; W126-F227 AromaticContact CD2-CE1 3.88Å; W126-F227 HydrophobicContact CD2-CE1 3.88Å; W126-F227 HydrophobicContact CD2-CZ 4.17Å; W126-F227 AromaticContact CE2-CE1 3.69Å; W126-F227 HydrophobicContact CG-CE1 4.02Å; W126-F227 HydrophobicContact CG-CZ 4.19Å; W126-F227 HydrophobicContact CZ2-CE1 4.21Å; W126-F227 AromaticContact NE1-CE1 3.73Å; W126-T228 HydrophobicContact CZ2-CG2 4.26Å; W126-M231 HydrophobicContact CE3-CE 3.8Å; W126-M231 HydrophobicContact CH2-CB 3.74Å; W126-M231 HydrophobicContact CH2-CG 4.25Å; W126-M231 HydrophobicContact CZ3-CB 3.89Å; W126-M231 HydrophobicContact CZ3-CE 3.65Å; W126-M231 HydrophobicContact CZ3-CG 4.12Å; W126-F257 HydrophobicContact CB-CB 4.48Å; W126-F257 HydrophobicContact CB-CD1 3.66Å; W126-F257 HydrophobicContact CB-CD2 4.17Å; W126-F257 HydrophobicContact CB-CE1 3.78Å; W126-F257 HydrophobicContact CB-CE2 4.27Å; W126-F257 HydrophobicContact CB-CG 3.86Å; W126-F257 HydrophobicContact CB-CZ 4.08Å
127D91.9Very high89.1Confident45 Ų4578.2 Ų78.224%0.24138%0.378CS..Hα-helixtrans-66.7-20.1178-71.5-8.2000111.7R123 R131 Y224R123-D127 WeakPolarHBondContact CG-OD2 3.44Å; R123-D127 IonicContact CZ-OD2 3.51Å; R123-D127 IonicContact NE-OD2 2.75Å; R123-D127 PolarHBondContact NE-OD2 2.73Å; R123-D127 IonicContact NH2-OD2 3.36Å; R123-D127 PolarHBondContact NH2-OD2 2.79Å; R123-D127 VanDerWaalsContact O-CB 3.23Å; R123-D127 WeakPolarHBondContact O-CB 3.35Å; R123-D127 PolarHBondContact O-N 2.98Å; D127-R131 WeakPolarHBondContact O-CB 3.1Å; D127-R131 PolarHBondContact O-NH1 3.02Å; D127-Y224 PolarHBondContact OD1-OH 2.79Å; D127-Y224 PolarHBondContact OD2-OH 2.77Å
128S93.2Very high89.6Confident22 Ų2274.4 Ų74.415%0.15436%0.363CS..Hα-helixtrans-83.9-47168.1-149.50000111.9H124 W126 F130 R131 D132H124-S128 WeakPolarHBondContact O-CB 3.11Å; H124-S128 PolarHBondContact O-N 2.97Å; W126-S128 PolarHBondContact O-N 3.5Å; S128-F130 PolarHBondContact O-N 3.44Å; S128-R131 PolarHBondContact O-N 3.38Å; S128-R131 PolarHBondContact OG-NH2 3.08Å; S128-D132 WeakPolarHBondContact O-CB 3.43Å; S128-D132 PolarHBondContact O-N 2.94Å; S128-D132 PolarHBondContact OG-OD2 3.24Å
129F93.2Very high90Very high62 Ų6276.9 Ų76.927%0.27238%0.378SS..Hα-helixtrans-54.3-51.3-179.2173.7-92.8000112.6D125 W126 R131 D132 A133 M136 F257 T259D125-F129 VanDerWaalsContact O-CB 3.27Å; D125-F129 WeakPolarHBondContact O-CB 3.38Å; D125-F129 PolarHBondContact O-N 3.46Å; W126-F129 PolarHBondContact O-N 3.16Å; F129-R131 PolarHBondContact O-N 3.39Å; F129-D132 PolarHBondContact O-N 2.82Å; F129-A133 HydrophobicContact CZ-CB 4.43Å; F129-A133 WeakPolarHBondContact O-CB 3.33Å; F129-A133 PolarHBondContact O-N 2.93Å; F129-M136 HydrophobicContact CE1-CE 3.89Å; F129-M136 HydrophobicContact CE1-CG 4.39Å; F129-M136 HydrophobicContact CZ-CE 3.98Å; F129-F257 HydrophobicContact CB-CE2 3.83Å; F129-F257 HydrophobicContact CB-CZ 3.97Å; F129-F257 HydrophobicContact CD1-CD2 4.29Å; F129-F257 AromaticContact CD1-CE2 3.57Å; F129-F257 HydrophobicContact CD1-CE2 3.57Å; F129-F257 HydrophobicContact CD2-CE2 4.36Å; F129-F257 HydrophobicContact CE1-CE2 4.23Å; F129-F257 AromaticContact CG-CE2 3.65Å; F129-F257 HydrophobicContact CG-CE2 3.65Å; F129-F257 HydrophobicContact CG-CZ 4.19Å; F129-T259 HydrophobicContact CD1-CG2 4.37Å; F129-T259 HydrophobicContact CD2-CG2 4.36Å; F129-T259 HydrophobicContact CE1-CG2 3.87Å; F129-T259 HydrophobicContact CE2-CG2 3.86Å; F129-T259 HydrophobicContact CZ-CG2 3.6Å
130F91Very high90.6Very high7 Ų772.5 Ų72.53%0.03135%0.354CS..Hα-helixtrans-69.5-31.5-176.2-73.1-72.5000113.5W126 S128 M136 R144 P145 F257 D258W126-F130 HydrophobicContact CB-CD2 4.45Å; W126-F130 HydrophobicContact CB-CE2 4.41Å; W126-F130 VanDerWaalsContact O-CD2 3.3Å; W126-F130 WeakPolarHBondContact O-CD2 3.47Å; W126-F130 PolarHBondContact O-N 3.18Å; W126-F130 VanDerWaalsContact O-N 3.08Å; S128-F130 PolarHBondContact O-N 3.44Å; F130-M136 HydrophobicContact CD1-CB 4.44Å; F130-M136 HydrophobicContact CD1-CG 4.22Å; F130-M136 HydrophobicContact CD1-SD 4.26Å; F130-M136 HydrophobicContact CE1-SD 4.1Å; F130-R144 VanDerWaalsContact CE1-C 3.47Å; F130-R144 WeakPolarHBondContact CZ-O 3.47Å; F130-P145 HydrophobicContact CD2-CB 3.72Å; F130-P145 HydrophobicContact CD2-CG 3.96Å; F130-P145 HydrophobicContact CE2-CB 3.75Å; F130-P145 HydrophobicContact CE2-CG 4.44Å; F130-P145 HydrophobicContact CG-CG 4.47Å; F130-F257 AromaticContact CE2-CD2 3.76Å; F130-F257 HydrophobicContact CE2-CD2 3.76Å; F130-F257 HydrophobicContact CE2-CE2 4.32Å; F130-F257 HydrophobicContact CE2-CG 4.47Å; F130-F257 HydrophobicContact CZ-CD2 4.09Å; F130-D258 WeakPolarHBondContact CZ-O 3.44Å
131R90.3Very high90.7Very high140 Ų14072.5 Ų72.553%0.52836%0.356SS..Hα-helixtrans-72.4-38.3175.7-175.1-164.266.3-120.20.2112.6D127 S128 F129D127-R131 WeakPolarHBondContact O-CB 3.1Å; D127-R131 PolarHBondContact O-NH1 3.02Å; S128-R131 PolarHBondContact O-N 3.38Å; S128-R131 PolarHBondContact OG-NH2 3.08Å; F129-R131 PolarHBondContact O-N 3.39Å
132D91.3Very high90.7Very high95 Ų9571.6 Ų71.651%0.50835%0.351SS..Hα-helixtrans-92.3-16.6-172.7-54.8-32.8000112.8S128 F129 K134S128-D132 WeakPolarHBondContact O-CB 3.43Å; S128-D132 PolarHBondContact O-N 2.94Å; S128-D132 PolarHBondContact OG-OD2 3.24Å; F129-D132 PolarHBondContact O-N 2.82Å; D132-K134 PolarHBondContact O-N 3.35Å
133A89.4Confident90.7Very high17 Ų1770.3 Ų70.314%0.1434%0.341CS..  trans-77.1102179.600000112.6F129 D135 M136F129-A133 HydrophobicContact CZ-CB 4.43Å; F129-A133 WeakPolarHBondContact O-CB 3.33Å; F129-A133 PolarHBondContact O-N 2.93Å; A133-D135 PolarHBondContact O-N 2.8Å; A133-M136 HydrophobicContact CB-CB 4.02Å; A133-M136 HydrophobicContact CB-CG 3.62Å; A133-M136 PolarHBondContact O-N 3.15Å
134K84.5Confident90.7Very high215 Ų21566.3 Ų66.394%0.93533%0.326SS*.THydrogen-bonded Turntrans-58.8-16-175.9-63.1-175.3178.8-177.70116.3D132D132-K134 PolarHBondContact O-N 3.35Å
135D85.3Confident90.7Very high106 Ų10661 Ų6157%0.56730%0.303SS*.THydrogen-bonded Turntrans-104.4-6.2-179.769.7-59.7000113.3A133 K261A133-D135 PolarHBondContact O-N 2.8Å; D135-K261 WeakPolarHBondContact O-CE 3.21Å; D135-K261 PolarHBondContact O-NZ 2.72Å; D135-K261 VanDerWaalsContact OD2-CE 3.26Å; D135-K261 WeakPolarHBondContact OD2-CE 3.49Å; D135-K261 IonicContact OD2-NZ 2.7Å; D135-K261 PolarHBondContact OD2-NZ 2.93Å
136M87Confident90.8Very high22 Ų2257.5 Ų57.511%0.10829%0.285CS..  trans-88.2156.3174.8-67.7-73.1172.900111F129 F130 A133 E143 T259 K261F129-M136 HydrophobicContact CE1-CE 3.89Å; F129-M136 HydrophobicContact CE1-CG 4.39Å; F129-M136 HydrophobicContact CZ-CE 3.98Å; F130-M136 HydrophobicContact CD1-CB 4.44Å; F130-M136 HydrophobicContact CD1-CG 4.22Å; F130-M136 HydrophobicContact CD1-SD 4.26Å; F130-M136 HydrophobicContact CE1-SD 4.1Å; A133-M136 HydrophobicContact CB-CB 4.02Å; A133-M136 HydrophobicContact CB-CG 3.62Å; A133-M136 PolarHBondContact O-N 3.15Å; M136-E143 HydrophobicContact SD-CB 4.07Å; M136-T259 VanDerWaalsContact CE-O 3.25Å; M136-T259 WeakPolarHBondContact CE-O 3.45Å; M136-K261 HydrophobicContact CE-CD 4.22Å; M136-K261 HydrophobicContact CE-CG 3.57Å; M136-K261 HydrophobicContact SD-CD 4.07Å; M136-K261 WeakPolarHBondContact SD-CE 3.43Å; M136-K261 HydrophobicContact SD-CG 3.67Å
137N87.9Confident91Very high66 Ų6657.6 Ų57.635%0.35329%0.285SS..  trans-136.7107.8175.2-179.9-10.8000110T139 L140 E143N137-T139 PolarHBondContact ND2-OG1 2.83Å; N137-T139 PolarHBondContact O-N 2.69Å; N137-T139 WeakPolarHBondContact OD1-CB 3.33Å; N137-T139 PolarHBondContact OD1-N 2.66Å; N137-T139 PolarHBondContact OD1-OG1 2.96Å; N137-L140 HydrophobicContact CB-CB 4.4Å; N137-L140 HydrophobicContact CB-CD1 4.06Å; N137-L140 HydrophobicContact CB-CG 4.1Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-E143 CarbonylContact C-O 3.54Å; N137-E143 PolarHBondContact N-O 2.6Å
138E86.7Confident91.3Very high108 Ų10855.4 Ų55.451%0.50527%0.274SS..THydrogen-bonded Turntrans-57.9-20.8-176.8-65.3-173.417900114.4L140 R144E138-L140 VanDerWaalsContact C-N 3.34Å; E138-R144 WeakPolarHBondContact O-CB 3.26Å; E138-R144 WeakPolarHBondContact O-CD 3.21Å
139T87.9Confident91.5Very high106 Ų10655.1 Ų55.165%0.6527%0.27SS*.THydrogen-bonded Turntrans-76-21.5175.368.50000113.1N137N137-T139 PolarHBondContact ND2-OG1 2.83Å; N137-T139 PolarHBondContact O-N 2.69Å; N137-T139 WeakPolarHBondContact OD1-CB 3.33Å; N137-T139 PolarHBondContact OD1-N 2.66Å; N137-T139 PolarHBondContact OD1-OG1 2.96Å
140L92.5Very high91.6Very high72 Ų7252.1 Ų52.138%0.37726%0.257SS..SBendtrans-94.6133.5-174.6-64-177000112.3N137 E138 G142 E143 R144N137-L140 HydrophobicContact CB-CB 4.4Å; N137-L140 HydrophobicContact CB-CD1 4.06Å; N137-L140 HydrophobicContact CB-CG 4.1Å; N137-L140 PolarHBondContact O-N 2.93Å; E138-L140 VanDerWaalsContact C-N 3.34Å; L140-G142 PolarHBondContact O-N 2.79Å; L140-E143 HydrophobicContact CB-CB 4.18Å; L140-E143 HydrophobicContact CB-CG 4.2Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-E143 VanDerWaalsContact O-N 3.16Å; L140-R144 VanDerWaalsContact O-CD 3.31Å; L140-R144 WeakPolarHBondContact O-CD 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.4Å
141P93.5Very high91.8Very high18 Ų1854.4 Ų54.412%0.11727%0.267CS..THydrogen-bonded Turntrans-57.7132.2173.4-20.130.3000111.6E143 D146 S264P141-E143 PolarHBondContact O-N 2.76Å; P141-D146 WeakPolarHBondContact CA-OD2 3.38Å; P141-S264 WeakPolarHBondContact O-CA 3.23Å
142G91.4Very high91.9Very high3 Ų348.3 Ų48.33%0.03125%0.248CC..THydrogen-bonded Turntrans745.7-178.400000115.6L140 D146 Q220 K261L140-G142 PolarHBondContact O-N 2.79Å; G142-D146 WeakPolarHBondContact CA-OD1 3.43Å; G142-D146 PolarHBondContact N-OD1 2.83Å; G142-D146 VanDerWaalsContact N-OD1 3.1Å; G142-D146 PolarHBondContact N-OD2 3.37Å; G142-D146 VanDerWaalsContact N-OD2 3.15Å; G142-Q220 VanDerWaalsContact CA-NE2 3.33Å; G142-Q220 VanDerWaalsContact N-NE2 3.15Å; G142-K261 WeakPolarHBondContact O-CA 3.3Å
143E93.6Very high92Very high22 Ų2243.8 Ų43.810%0.10322%0.223CC..SBendtrans-118.222.7168.6-52.5-169.9-172.600111.4M136 N137 L140 P141 K261M136-E143 HydrophobicContact SD-CB 4.07Å; N137-E143 CarbonylContact C-O 3.54Å; N137-E143 PolarHBondContact N-O 2.6Å; L140-E143 HydrophobicContact CB-CB 4.18Å; L140-E143 HydrophobicContact CB-CG 4.2Å; L140-E143 PolarHBondContact O-N 2.83Å; L140-E143 VanDerWaalsContact O-N 3.16Å; P141-E143 PolarHBondContact O-N 2.76Å; E143-K261 HydrophobicContact CG-CB 4.43Å; E143-K261 HydrophobicContact CG-CD 3.95Å; E143-K261 HydrophobicContact CG-CG 4.06Å
144R93.1Very high92.2Very high62 Ų6243.6 Ų43.623%0.23422%0.221CC..SBendtrans-148.8169.2-17174.1-173179.7161.610109F130 E138 L140 D146 Q222F130-R144 VanDerWaalsContact CE1-C 3.47Å; F130-R144 WeakPolarHBondContact CZ-O 3.47Å; E138-R144 WeakPolarHBondContact O-CB 3.26Å; E138-R144 WeakPolarHBondContact O-CD 3.21Å; L140-R144 VanDerWaalsContact O-CD 3.31Å; L140-R144 WeakPolarHBondContact O-CD 3.28Å; L140-R144 WeakPolarHBondContact O-CG 3.4Å; R144-D146 HydrophobicContact CG-CB 4.04Å; R144-D146 WeakPolarHBondContact CG-OD2 3.32Å; R144-D146 IonicContact CZ-OD2 3.48Å; R144-D146 IonicContact NE-OD2 2.74Å; R144-D146 PolarHBondContact NE-OD2 3.09Å; R144-D146 IonicContact NH2-OD2 3.31Å; R144-D146 PolarHBondContact NH2-OD2 3.03Å; R144-D146 PolarHBondContact O-N 3.28Å; R144-Q222 PolarHBondContact NH2-O 3.25Å
145P94.4Very high92.5Very high16 Ų1633.3 Ų33.310%0.10418%0.176CC..THydrogen-bonded Turntrans-72.270.117727.4-31.5000112.4F130 Y224 F227F130-P145 HydrophobicContact CD2-CB 3.72Å; F130-P145 HydrophobicContact CD2-CG 3.96Å; F130-P145 HydrophobicContact CE2-CB 3.75Å; F130-P145 HydrophobicContact CE2-CG 4.44Å; F130-P145 HydrophobicContact CG-CG 4.47Å; P145-Y224 HydrophobicContact CB-CD2 4.08Å; P145-Y224 HydrophobicContact CB-CE2 3.87Å; P145-Y224 HydrophobicContact CG-CD2 3.79Å; P145-Y224 HydrophobicContact CG-CE2 3.59Å; P145-Y224 WeakPolarHBondContact O-CD2 3.25Å; P145-F227 HydrophobicContact CB-CD1 4.06Å; P145-F227 HydrophobicContact CB-CE1 3.64Å; P145-F227 HydrophobicContact CB-CZ 4Å; P145-F227 VanDerWaalsContact O-CD1 3.26Å; P145-F227 WeakPolarHBondContact O-CD1 3.04Å; P145-F227 VanDerWaalsContact O-CG 3.26Å; P145-F227 WeakPolarHBondContact O-CG 3.04Å
146D96.1Very high92.8Very high2 Ų235.7 Ų35.71%0.01118%0.177CC..THydrogen-bonded Turntrans-127-11.6173.37210000114P141 G142 R144 Q220 Y221P141-D146 WeakPolarHBondContact CA-OD2 3.38Å; G142-D146 WeakPolarHBondContact CA-OD1 3.43Å; G142-D146 PolarHBondContact N-OD1 2.83Å; G142-D146 VanDerWaalsContact N-OD1 3.1Å; G142-D146 PolarHBondContact N-OD2 3.37Å; G142-D146 VanDerWaalsContact N-OD2 3.15Å; R144-D146 HydrophobicContact CG-CB 4.04Å; R144-D146 WeakPolarHBondContact CG-OD2 3.32Å; R144-D146 IonicContact CZ-OD2 3.48Å; R144-D146 IonicContact NE-OD2 2.74Å; R144-D146 PolarHBondContact NE-OD2 3.09Å; R144-D146 IonicContact NH2-OD2 3.31Å; R144-D146 PolarHBondContact NH2-OD2 3.03Å; R144-D146 PolarHBondContact O-N 3.28Å; D146-Q220 WeakPolarHBondContact O-CA 3.02Å; D146-Y221 WeakPolarHBondContact O-CD2 3.24Å; D146-Y221 PolarHBondContact O-N 3.27Å
147T97.3Very high93.1Very high3 Ų336.1 Ų36.12%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-119124.1-172-59.50000111.6V219 Q220 D258 L263T147-V219 WeakPolarHBondContact CA-O 3.49Å; T147-Q220 HydrophobicContact CG2-CB 4.41Å; T147-Q220 WeakPolarHBondContact OG1-CB 3.31Å; T147-Q220 WeakPolarHBondContact OG1-CG 3.3Å; T147-Q220 PolarHBondContact OG1-NE2 3.36Å; T147-D258 HydrophobicContact CG2-CB 3.69Å; T147-D258 PolarHBondContact O-N 2.88Å; T147-L263 HydrophobicContact CG2-CB 4.26Å; T147-L263 HydrophobicContact CG2-CD1 3.95Å; T147-L263 HydrophobicContact CG2-CG 4.27Å
148I97.4Very high93.4Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-101143.1171.264178000110.8L150 F178 Y218 V219 Y221 F227 A230 M231 L234 I256I148-L150 HydrophobicContact CD1-CD1 4.29Å; I148-L150 HydrophobicContact CD1-CD2 4.1Å; I148-L150 HydrophobicContact CD1-CG 4.32Å; I148-L150 HydrophobicContact CG1-CG 4.38Å; I148-F178 HydrophobicContact CD1-CD1 4.06Å; I148-F178 HydrophobicContact CD1-CE1 4.1Å; I148-Y218 WeakPolarHBondContact O-CA 3.42Å; I148-V219 HydrophobicContact CD1-CB 4.42Å; I148-V219 HydrophobicContact CG1-CB 3.94Å; I148-V219 PolarHBondContact N-O 2.96Å; I148-V219 PolarHBondContact O-N 3.44Å; I148-Y221 HydrophobicContact CD1-CE2 4.05Å; I148-Y221 HydrophobicContact CG1-CE2 4.22Å; I148-F227 HydrophobicContact CG2-CD2 3.63Å; I148-F227 HydrophobicContact CG2-CE2 3.67Å; I148-A230 HydrophobicContact CD1-CB 4.13Å; I148-M231 HydrophobicContact CG2-CG 4.1Å; I148-M231 HydrophobicContact CG2-SD 3.7Å; I148-L234 HydrophobicContact CD1-CD1 4.2Å; I148-I256 WeakPolarHBondContact CA-O 3.09Å
149H97.3Very high93.7Very high15 Ų1528.7 Ų28.77%0.06914%0.143CC..EExtended strand (participates in β ladder)trans-110131.5170174-132.5000109.6E151 A217 Y218 I256H149-E151 VanDerWaalsContact CE1-CG 3.49Å; H149-E151 WeakPolarHBondContact CE1-CG 3.49Å; H149-E151 IonicContact CE1-OE1 3.03Å; H149-E151 PolarHBondContact CE1-OE1 3.18Å; H149-E151 VanDerWaalsContact CE1-OE1 3.23Å; H149-E151 IonicContact ND1-OE1 3.28Å; H149-A217 PolarHBondContact CD2-O 3.06Å; H149-Y218 HydrophobicContact CB-CD1 3.94Å; H149-Y218 HydrophobicContact CB-CE1 3.76Å; H149-Y218 AromaticContact CD2-CD2 3.72Å; H149-Y218 AromaticContact CD2-CE1 3.7Å; H149-Y218 AromaticContact CD2-CE2 3.24Å; H149-Y218 WeakPolarHBondContact CD2-CE2 3.48Å; H149-Y218 AromaticContact CD2-CZ 3.24Å; H149-Y218 AromaticContact CG-CE1 3.72Å; H149-Y218 AromaticContact CG-CZ 3.64Å; H149-Y218 AromaticContact NE2-CE2 3.59Å; H149-Y218 AromaticContact NE2-CZ 3.63Å; H149-I256 HydrophobicContact CB-CG1 3.98Å; H149-I256 PolarHBondContact N-O 3.24Å; H149-I256 PolarHBondContact O-N 2.95Å
150L96.4Very high93.8Very high0 Ų028.5 Ų28.50%014%0.135CC..EExtended strand (participates in β ladder)trans-122.4119.8-169.9-61.7168.3000109.5I148 L153 F178 E216 A217 V219 L234 V255I148-L150 HydrophobicContact CD1-CD1 4.29Å; I148-L150 HydrophobicContact CD1-CD2 4.1Å; I148-L150 HydrophobicContact CD1-CG 4.32Å; I148-L150 HydrophobicContact CG1-CG 4.38Å; L150-L153 HydrophobicContact CB-CD1 3.81Å; L150-L153 HydrophobicContact CB-CD2 4.44Å; L150-L153 HydrophobicContact CB-CG 4.15Å; L150-L153 HydrophobicContact CD1-CD1 4.07Å; L150-F178 HydrophobicContact CD1-CD1 4.26Å; L150-F178 HydrophobicContact CD1-CE1 3.58Å; L150-F178 HydrophobicContact CD1-CE2 3.99Å; L150-F178 HydrophobicContact CD1-CZ 3.43Å; L150-F178 VanDerWaalsContact CD1-CZ 3.43Å; L150-F178 HydrophobicContact CD2-CE1 4.2Å; L150-F178 HydrophobicContact CD2-CZ 4.32Å; L150-E216 CarbonylContact O-C 3.44Å; L150-E216 WeakPolarHBondContact O-CA 3.46Å; L150-A217 PolarHBondContact N-O 2.69Å; L150-A217 PolarHBondContact O-N 3.09Å; L150-V219 HydrophobicContact CD1-CG2 4.03Å; L150-L234 HydrophobicContact CD2-CD1 4.41Å; L150-V255 HydrophobicContact CD2-CB 4.22Å; L150-V255 HydrophobicContact CD2-CG1 3.88Å; L150-V255 HydrophobicContact CD2-CG2 3.7Å
151E94.2Very high93.4Very high55 Ų5532.4 Ų32.426%0.25714%0.144SC..EExtended strand (participates in β ladder)trans-113.4133.6178.6-73.7169.8-134.900111.3H149 K254H149-E151 VanDerWaalsContact CE1-CG 3.49Å; H149-E151 WeakPolarHBondContact CE1-CG 3.49Å; H149-E151 IonicContact CE1-OE1 3.03Å; H149-E151 PolarHBondContact CE1-OE1 3.18Å; H149-E151 VanDerWaalsContact CE1-OE1 3.23Å; H149-E151 IonicContact ND1-OE1 3.28Å; E151-K254 HydrophobicContact CB-CB 4.11Å; E151-K254 HydrophobicContact CB-CG 4.45Å; E151-K254 PolarHBondContact N-O 3.14Å; E151-K254 PolarHBondContact O-N 3.11Å; E151-K254 VanDerWaalsContact OE1-CE 3.3Å; E151-K254 WeakPolarHBondContact OE1-CE 3.46Å; E151-K254 IonicContact OE1-NZ 3.71Å; E151-K254 PolarHBondContact OE1-NZ 2.96Å; E151-K254 WeakPolarHBondContact OE2-CD 3.28Å; E151-K254 WeakPolarHBondContact OE2-CE 3.09Å; E151-K254 IonicContact OE2-NZ 3.58Å; E151-K254 PolarHBondContact OE2-NZ 2.72Å
152G92Very high92.9Very high11 Ų1139.8 Ų39.811%0.11318%0.183CC..EExtended strand (participates in β ladder)trans959.3170.900000115.6N214 F215G152-N214 PolarHBondContact O-ND2 3.09Å; G152-F215 PolarHBondContact N-O 3.07Å
153L94.2Very high92.5Very high0 Ų041.4 Ų41.40%019%0.194CC..EExtended strand (participates in β ladder)trans-56.3128.9174.3-60.7174.3000110.5L150 F158 L174 N214 F215 A217 L239 I253L150-L153 HydrophobicContact CB-CD1 3.81Å; L150-L153 HydrophobicContact CB-CD2 4.44Å; L150-L153 HydrophobicContact CB-CG 4.15Å; L150-L153 HydrophobicContact CD1-CD1 4.07Å; L153-F158 HydrophobicContact CB-CD2 4.27Å; L153-F158 HydrophobicContact CB-CE2 4.01Å; L153-F158 HydrophobicContact CD2-CE2 3.95Å; L153-F158 HydrophobicContact CD2-CZ 4.02Å; L153-F158 HydrophobicContact CG-CE2 4.43Å; L153-L174 HydrophobicContact CD1-CD1 4.03Å; L153-N214 CarbonylContact O-C 3.6Å; L153-N214 WeakPolarHBondContact O-CA 3.18Å; L153-N214 WeakPolarHBondContact O-CB 3.32Å; L153-F215 HydrophobicContact CB-CD1 3.79Å; L153-F215 HydrophobicContact CB-CD2 4.26Å; L153-F215 HydrophobicContact CB-CE1 3.43Å; L153-F215 VanDerWaalsContact CB-CE1 3.43Å; L153-F215 HydrophobicContact CB-CE2 3.96Å; L153-F215 HydrophobicContact CB-CG 4.19Å; L153-F215 HydrophobicContact CB-CZ 3.53Å; L153-F215 HydrophobicContact CD1-CD2 4.16Å; L153-F215 HydrophobicContact CD1-CE1 4.43Å; L153-F215 HydrophobicContact CD1-CE2 3.5Å; L153-F215 HydrophobicContact CD1-CZ 3.65Å; L153-F215 HydrophobicContact CG-CE2 4.38Å; L153-F215 HydrophobicContact CG-CZ 4.25Å; L153-F215 PolarHBondContact N-O 2.77Å; L153-F215 WeakPolarHBondContact O-CD1 3.48Å; L153-F215 PolarHBondContact O-N 3.35Å; L153-A217 HydrophobicContact CD1-CB 3.99Å; L153-L239 HydrophobicContact CD2-CD2 4.44Å; L153-I253 HydrophobicContact CD2-CG2 4.09Å
154P93.1Very high91.9Very high13 Ų1348.7 Ų48.78%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-74.9127.1-179-19.333.7000112.3R156 W157 L213 C251P154-R156 VanDerWaalsContact C-N 3.31Å; P154-R156 PolarHBondContact O-N 2.99Å; P154-W157 HydrophobicContact CB-CB 4.37Å; P154-W157 HydrophobicContact CB-CD2 3.9Å; P154-W157 HydrophobicContact CB-CE3 4.46Å; P154-W157 HydrophobicContact CB-CG 3.85Å; P154-W157 HydrophobicContact CG-CD2 3.71Å; P154-W157 HydrophobicContact CG-CE3 3.81Å; P154-W157 HydrophobicContact CG-CG 4.18Å; P154-W157 HydrophobicContact CG-CH2 4.35Å; P154-W157 HydrophobicContact CG-CZ2 4.28Å; P154-W157 HydrophobicContact CG-CZ3 4.14Å; P154-W157 PolarHBondContact O-N 3.48Å; P154-L213 WeakPolarHBondContact CA-O 3.14Å; P154-C251 WeakPolarHBondContact CD-SG 3.3Å; P154-C251 HydrophobicContact CG-CB 3.98Å; P154-C251 WeakPolarHBondContact CG-SG 3.49Å
155C92.1Very high91.5Very high0 Ų051.8 Ų51.80%024%0.243CC..G310 helixtrans-57.3-41.1-171.6-62.80000113.5W157 F158 S159 D167 H212 L213 N214 F215C155-W157 VanDerWaalsContact C-N 3.27Å; C155-W157 PolarHBondContact O-N 3.49Å; C155-F158 PolarHBondContact O-N 2.66Å; C155-S159 PolarHBondContact O-N 3.05Å; C155-D167 WeakPolarHBondContact CB-O 3.38Å; C155-H212 PolarHBondContact SG-O 3.09Å; C155-L213 PolarHBondContact N-O 3.42Å; C155-N214 VanDerWaalsContact SG-C 3.57Å; C155-F215 HydrophobicContact CB-CD1 4.33Å
156R91.1Very high90.9Very high156 Ų15654.3 Ų54.359%0.58926%0.26SS*.G310 helixtrans-64.3-26.1178.4-67.9-174.4178.6-177.9-3.5114.3P154 F158 S159 D167P154-R156 VanDerWaalsContact C-N 3.31Å; P154-R156 PolarHBondContact O-N 2.99Å; R156-F158 VanDerWaalsContact C-N 3.3Å; R156-S159 PolarHBondContact O-OG 2.97Å; R156-D167 WeakPolarHBondContact CG-OD1 3.46Å; R156-D167 IonicContact CZ-OD1 3.24Å; R156-D167 VanDerWaalsContact CZ-OD1 3.28Å; R156-D167 IonicContact CZ-OD2 2.77Å; R156-D167 IonicContact NE-OD1 2.6Å; R156-D167 PolarHBondContact NE-OD1 2.89Å; R156-D167 IonicContact NE-OD2 3.69Å; R156-D167 IonicContact NH2-OD1 3.46Å; R156-D167 PolarHBondContact NH2-OD1 2.97Å; R156-D167 IonicContact NH2-OD2 2.69Å; R156-D167 PolarHBondContact NH2-OD2 3.03Å
157W93.1Very high90.3Very high30 Ų3057.5 Ų57.511%0.11428%0.276CS..G310 helixtrans-81.6-16.2-177.1-62.78.6000112.2A3 L21 P154 C155 L239 L241 V249 C251A3-W157 HydrophobicContact CB-CZ2 4.08Å; L21-W157 HydrophobicContact CD2-CB 4.36Å; L21-W157 HydrophobicContact CD2-CD2 4.47Å; L21-W157 HydrophobicContact CD2-CE3 3.87Å; P154-W157 HydrophobicContact CB-CB 4.37Å; P154-W157 HydrophobicContact CB-CD2 3.9Å; P154-W157 HydrophobicContact CB-CE3 4.46Å; P154-W157 HydrophobicContact CB-CG 3.85Å; P154-W157 HydrophobicContact CG-CD2 3.71Å; P154-W157 HydrophobicContact CG-CE3 3.81Å; P154-W157 HydrophobicContact CG-CG 4.18Å; P154-W157 HydrophobicContact CG-CH2 4.35Å; P154-W157 HydrophobicContact CG-CZ2 4.28Å; P154-W157 HydrophobicContact CG-CZ3 4.14Å; P154-W157 PolarHBondContact O-N 3.48Å; C155-W157 VanDerWaalsContact C-N 3.27Å; C155-W157 PolarHBondContact O-N 3.49Å; W157-L239 HydrophobicContact CE3-CD2 3.73Å; W157-L239 HydrophobicContact CE3-CG 4.01Å; W157-L239 HydrophobicContact CZ3-CB 4.24Å; W157-L239 HydrophobicContact CZ3-CD2 4.01Å; W157-L239 HydrophobicContact CZ3-CG 3.89Å; W157-L241 HydrophobicContact CD2-CB 3.87Å; W157-L241 HydrophobicContact CD2-CD2 4.36Å; W157-L241 HydrophobicContact CE3-CB 4.05Å; W157-L241 HydrophobicContact CG-CB 4.42Å; W157-L241 HydrophobicContact CG-CD2 4.15Å; W157-L241 HydrophobicContact CH2-CB 4.21Å; W157-L241 HydrophobicContact CZ2-CB 4.02Å; W157-L241 HydrophobicContact CZ3-CB 4.21Å; W157-V249 HydrophobicContact CH2-CG2 4.37Å; W157-V249 VanDerWaalsContact CH2-O 3.25Å; W157-V249 WeakPolarHBondContact CH2-O 3.48Å; W157-V249 HydrophobicContact CZ2-CB 4.28Å; W157-V249 HydrophobicContact CZ2-CG2 3.66Å; W157-C251 HydrophobicContact CH2-CB 4.02Å; W157-C251 HydrophobicContact CZ3-CB 4.31Å; W157-C251 WeakPolarHBondContact CZ3-SG 3.37Å
158F94.4Very high90Very high0 Ų063.6 Ų63.60%030%0.299CS..SBendtrans-11914.9178.9-65-91.6000112.3L21 L153 C155 R156 P169 S170 V173 L174 V177 F178 F215 L239L21-F158 HydrophobicContact CD1-CE1 3.99Å; L21-F158 HydrophobicContact CD1-CZ 3.96Å; L153-F158 HydrophobicContact CB-CD2 4.27Å; L153-F158 HydrophobicContact CB-CE2 4.01Å; L153-F158 HydrophobicContact CD2-CE2 3.95Å; L153-F158 HydrophobicContact CD2-CZ 4.02Å; L153-F158 HydrophobicContact CG-CE2 4.43Å; C155-F158 PolarHBondContact O-N 2.66Å; R156-F158 VanDerWaalsContact C-N 3.3Å; F158-P169 HydrophobicContact CB-CB 4.3Å; F158-P169 CarbonylContact O-C 3.57Å; F158-S170 PolarHBondContact O-N 3.44Å; F158-V173 HydrophobicContact CB-CG1 4.29Å; F158-V173 HydrophobicContact CD1-CG1 4.28Å; F158-L174 HydrophobicContact CD1-CB 4.32Å; F158-L174 HydrophobicContact CD1-CD1 3.72Å; F158-L174 HydrophobicContact CE1-CD1 3.63Å; F158-L174 HydrophobicContact CZ-CD1 4.4Å; F158-V177 HydrophobicContact CD1-CG2 4.47Å; F158-V177 HydrophobicContact CE1-CB 4.13Å; F158-V177 HydrophobicContact CE1-CG1 3.95Å; F158-V177 HydrophobicContact CE1-CG2 4.21Å; F158-F178 AromaticContact CE1-CE2 3.99Å; F158-F178 HydrophobicContact CE1-CE2 3.99Å; F158-F178 HydrophobicContact CZ-CE2 4.23Å; F158-F215 HydrophobicContact CB-CE1 3.82Å; F158-F215 HydrophobicContact CB-CZ 3.6Å; F158-F215 HydrophobicContact CD1-CZ 4.4Å; F158-F215 AromaticContact CD2-CE1 3.66Å; F158-F215 HydrophobicContact CD2-CE1 3.66Å; F158-F215 AromaticContact CD2-CZ 3.65Å; F158-F215 HydrophobicContact CD2-CZ 3.65Å; F158-F215 HydrophobicContact CE2-CZ 4.42Å; F158-F215 AromaticContact CG-CE1 3.98Å; F158-F215 HydrophobicContact CG-CE1 3.98Å; F158-F215 AromaticContact CG-CZ 3.63Å; F158-F215 HydrophobicContact CG-CZ 3.63Å; F158-L239 HydrophobicContact CE2-CD2 3.61Å; F158-L239 HydrophobicContact CZ-CD2 3.7Å
159S92.7Very high89.8Confident19 Ų1963.8 Ų63.813%0.13330%0.3CS..SBendtrans-83.6155.6173.167.30000111C155 R156 P166 R168C155-S159 PolarHBondContact O-N 3.05Å; R156-S159 PolarHBondContact O-OG 2.97Å; S159-P166 WeakPolarHBondContact CB-O 3.18Å; S159-P166 PolarHBondContact OG-O 2.76Å; S159-R168 WeakPolarHBondContact CA-O 3.2Å; S159-R168 WeakPolarHBondContact CB-O 3.43Å
160Q89.9Confident89.7Confident101 Ų10163.9 Ų63.947%0.47230%0.303SS..PPolyproline II helixtrans-68.7134176-74.9174-7.100110.4N162 S163 S170 V173Q160-N162 PolarHBondContact O-N 3.49Å; Q160-S163 WeakPolarHBondContact O-CB 3.4Å; Q160-S163 PolarHBondContact O-N 3.27Å; Q160-S170 PolarHBondContact NE2-OG 2.79Å; Q160-S170 VanDerWaalsContact NE2-OG 3.15Å; Q160-V173 HydrophobicContact CG-CG2 4.12Å
161R84.3Confident89.7Confident155 Ų15567.5 Ų67.559%0.58532%0.32SS*.THydrogen-bonded Turntrans-55.5133.5172.4-72.6-166.7-86.7-140.4-8110E18 S163E18-R161 PolarHBondContact O-NH1 2.94Å; E18-R161 PolarHBondContact O-NH2 2.83Å; E18-R161 IonicContact OE1-NH2 3.09Å; R161-S163 PolarHBondContact O-N 3.42Å
162N82.2Confident89.7Confident172 Ų17267.7 Ų67.792%0.9233%0.331SS*.THydrogen-bonded Turntrans61.920-175.4-49.9-37.8000115.5Q160Q160-N162 PolarHBondContact O-N 3.49Å
163S83.6Confident89.9Confident37 Ų3767.7 Ų67.726%0.25933%0.329SS..  trans-58.8142.3170.6177.50000112.2Q160 R161 F165Q160-S163 WeakPolarHBondContact O-CB 3.4Å; Q160-S163 PolarHBondContact O-N 3.27Å; R161-S163 PolarHBondContact O-N 3.42Å; S163-F165 PolarHBondContact O-N 2.86Å; S163-F165 VanDerWaalsContact OG-C 3.31Å; S163-F165 PolarHBondContact OG-N 2.92Å; S163-F165 PolarHBondContact OG-O 2.9Å
164Q81.7Confident90.1Very high175 Ų17567.7 Ų67.782%0.81833%0.329SS*.SBendtrans-64.2-18.5167.6-61.7179.218.500112.4
165F83.6Confident90.3Very high128 Ų12868.7 Ų68.756%0.56134%0.335SS*.  trans-124.280.8179.3-53.9-76.8000109S163 D167 R168S163-F165 PolarHBondContact O-N 2.86Å; S163-F165 VanDerWaalsContact OG-C 3.31Å; S163-F165 PolarHBondContact OG-N 2.92Å; S163-F165 PolarHBondContact OG-O 2.9Å; F165-D167 PolarHBondContact O-N 2.88Å; F165-R168 HydrophobicContact CB-CB 3.75Å; F165-R168 PolarHBondContact O-N 2.91Å; F165-R168 VanDerWaalsContact O-N 3.1Å
166P82.3Confident90.5Very high69 Ų6970.4 Ų70.445%0.44835%0.348SS..THydrogen-bonded Turntrans-68.3-20.2-176.828-36000113.2S159S159-P166 WeakPolarHBondContact CB-O 3.18Å; S159-P166 PolarHBondContact OG-O 2.76Å
167D84.3Confident90.7Very high68 Ų6863 Ų6336%0.36432%0.32SS..THydrogen-bonded Turntrans-871.2174.2-73.9-60.2000113.6C155 R156 F165C155-D167 WeakPolarHBondContact CB-O 3.38Å; R156-D167 WeakPolarHBondContact CG-OD1 3.46Å; R156-D167 IonicContact CZ-OD1 3.24Å; R156-D167 VanDerWaalsContact CZ-OD1 3.28Å; R156-D167 IonicContact CZ-OD2 2.77Å; R156-D167 IonicContact NE-OD1 2.6Å; R156-D167 PolarHBondContact NE-OD1 2.89Å; R156-D167 IonicContact NE-OD2 3.69Å; R156-D167 IonicContact NH2-OD1 3.46Å; R156-D167 PolarHBondContact NH2-OD1 2.97Å; R156-D167 IonicContact NH2-OD2 2.69Å; R156-D167 PolarHBondContact NH2-OD2 3.03Å; F165-D167 PolarHBondContact O-N 2.88Å
168R90.7Very high90.9Very high131 Ų13161.6 Ų61.649%0.49432%0.315SS..SBendtrans-99.5117.6176.5-171.8175.6-176.2162.16.7110.2S159 F165 L192S159-R168 WeakPolarHBondContact CA-O 3.2Å; S159-R168 WeakPolarHBondContact CB-O 3.43Å; F165-R168 HydrophobicContact CB-CB 3.75Å; F165-R168 PolarHBondContact O-N 2.91Å; F165-R168 VanDerWaalsContact O-N 3.1Å; R168-L192 HydrophobicContact CG-CD2 3.79Å
169P93.7Very high91Very high4 Ų466.6 Ų66.63%0.02634%0.339CS..  trans-69.2162.6175.131.4-35.2000111.2F158 I189 M191 L192 F215F158-P169 HydrophobicContact CB-CB 4.3Å; F158-P169 CarbonylContact O-C 3.57Å; P169-I189 HydrophobicContact CB-CD1 4.27Å; P169-I189 HydrophobicContact CG-CG2 4.16Å; P169-M191 HydrophobicContact CG-SD 4.14Å; P169-L192 HydrophobicContact CG-CD2 4.23Å; P169-F215 HydrophobicContact CB-CD1 3.88Å; P169-F215 HydrophobicContact CB-CD2 4.36Å; P169-F215 HydrophobicContact CB-CE1 3.68Å; P169-F215 HydrophobicContact CB-CE2 4.17Å; P169-F215 HydrophobicContact CB-CG 4.23Å; P169-F215 HydrophobicContact CB-CZ 3.84Å; P169-F215 HydrophobicContact CG-CB 4.39Å; P169-F215 HydrophobicContact CG-CD1 4.01Å; P169-F215 HydrophobicContact CG-CD2 4.29Å; P169-F215 HydrophobicContact CG-CE1 4.32Å; P169-F215 HydrophobicContact CG-CG 4.01Å
170S94.3Very high91.1Very high17 Ų1768.8 Ų68.812%0.11936%0.358CS..  trans-130.5128.1-177.1-175.20000111.6F158 Q160 A172 V173 L174F158-S170 PolarHBondContact O-N 3.44Å; Q160-S170 PolarHBondContact NE2-OG 2.79Å; Q160-S170 VanDerWaalsContact NE2-OG 3.15Å; S170-A172 PolarHBondContact O-N 3.14Å; S170-V173 PolarHBondContact O-N 3.34Å; S170-V173 VanDerWaalsContact O-N 3.16Å; S170-L174 PolarHBondContact O-N 2.86Å
171E95.7Very high91.5Very high76 Ų7664.7 Ų64.736%0.35534%0.339SS..Hα-helixtrans-61.4-30.6176.5-66.1174.8156.400112.2T175 V187 I189 L192E171-T175 VanDerWaalsContact O-CB 3.23Å; E171-T175 WeakPolarHBondContact O-CB 3.36Å; E171-T175 PolarHBondContact O-N 3.45Å; E171-T175 PolarHBondContact O-OG1 2.79Å; E171-V187 HydrophobicContact CB-CG1 4.25Å; E171-V187 HydrophobicContact CG-CG1 4.25Å; E171-I189 HydrophobicContact CG-CB 4.3Å; E171-I189 HydrophobicContact CG-CD1 3.74Å; E171-I189 HydrophobicContact CG-CG1 3.88Å; E171-I189 PolarHBondContact OE1-N 2.86Å; E171-I189 VanDerWaalsContact OE1-N 3.17Å; E171-L192 HydrophobicContact CG-CD1 3.98Å
172A95.8Very high92Very high60 Ų6058.2 Ų58.250%0.49632%0.32SS..Hα-helixtrans-66.1-43.6175.100000112.1S170 T175 A176S170-A172 PolarHBondContact O-N 3.14Å; A172-T175 PolarHBondContact O-N 2.94Å; A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 2.92Å
173V96.1Very high92.8Very high11 Ų1156.4 Ų56.47%0.06730%0.304CS..Hα-helixtrans-66.8-45.9175.7172.70000110.2F158 Q160 S170 T175 A176 V177F158-V173 HydrophobicContact CB-CG1 4.29Å; F158-V173 HydrophobicContact CD1-CG1 4.28Å; Q160-V173 HydrophobicContact CG-CG2 4.12Å; S170-V173 PolarHBondContact O-N 3.34Å; S170-V173 VanDerWaalsContact O-N 3.16Å; V173-T175 VanDerWaalsContact C-N 3.31Å; V173-T175 PolarHBondContact O-N 3.38Å; V173-A176 PolarHBondContact O-N 2.91Å; V173-V177 HydrophobicContact CG1-CG2 4.28Å; V173-V177 VanDerWaalsContact O-CG2 3.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.3Å; V173-V177 PolarHBondContact O-N 3.37Å
174L96.8Very high93.5Very high0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-59.8-41.8176.8-174.565.7000111.8L153 F158 S170 V177 F178 V187 I189 F215 A217 V219L153-L174 HydrophobicContact CD1-CD1 4.03Å; F158-L174 HydrophobicContact CD1-CB 4.32Å; F158-L174 HydrophobicContact CD1-CD1 3.72Å; F158-L174 HydrophobicContact CE1-CD1 3.63Å; F158-L174 HydrophobicContact CZ-CD1 4.4Å; S170-L174 PolarHBondContact O-N 2.86Å; L174-V177 PolarHBondContact O-N 2.91Å; L174-F178 HydrophobicContact CD1-CD2 3.56Å; L174-F178 HydrophobicContact CD1-CE2 3.49Å; L174-F178 VanDerWaalsContact CD1-CE2 3.49Å; L174-F178 HydrophobicContact CG-CD2 4.31Å; L174-F178 WeakPolarHBondContact O-CD2 3.15Å; L174-F178 PolarHBondContact O-N 3.14Å; L174-V187 HydrophobicContact CB-CG1 4.47Å; L174-V187 HydrophobicContact CD2-CG1 3.59Å; L174-V187 HydrophobicContact CG-CG1 4.21Å; L174-I189 HydrophobicContact CB-CD1 4.42Å; L174-I189 HydrophobicContact CD2-CD1 3.87Å; L174-I189 HydrophobicContact CD2-CG1 3.84Å; L174-F215 HydrophobicContact CD2-CE2 4.3Å; L174-A217 HydrophobicContact CD2-CB 3.41Å; L174-A217 VanDerWaalsContact CD2-CB 3.41Å; L174-V219 HydrophobicContact CD2-CG2 4.18Å; L174-V219 HydrophobicContact CG-CG2 4.26Å
175T97.3Very high94.1Very high34 Ų3451.4 Ų51.421%0.20927%0.273CS..Hα-helixtrans-60.3-50.5174.3-59.60000111.2E171 A172 V173 V177 F178 Q179 V184 V187E171-T175 VanDerWaalsContact O-CB 3.23Å; E171-T175 WeakPolarHBondContact O-CB 3.36Å; E171-T175 PolarHBondContact O-N 3.45Å; E171-T175 PolarHBondContact O-OG1 2.79Å; A172-T175 PolarHBondContact O-N 2.94Å; V173-T175 VanDerWaalsContact C-N 3.31Å; V173-T175 PolarHBondContact O-N 3.38Å; T175-V177 VanDerWaalsContact C-N 3.31Å; T175-V177 PolarHBondContact O-N 2.74Å; T175-F178 PolarHBondContact O-N 3.23Å; T175-Q179 HydrophobicContact CG2-CG 4.26Å; T175-Q179 WeakPolarHBondContact O-CB 3.32Å; T175-Q179 VanDerWaalsContact O-CG 3.24Å; T175-Q179 WeakPolarHBondContact O-CG 3.5Å; T175-Q179 PolarHBondContact O-N 2.66Å; T175-V184 HydrophobicContact CG2-CB 4.28Å; T175-V184 HydrophobicContact CG2-CG1 4.29Å; T175-V187 WeakPolarHBondContact OG1-CG2 3.37Å
176A96.4Very high94.7Very high35 Ų3548.4 Ų48.429%0.28926%0.261SS..Hα-helixtrans-62.8-35.4-179.600000113A172 V173A172-A176 WeakPolarHBondContact O-CB 3.28Å; A172-A176 PolarHBondContact O-N 2.92Å; V173-A176 PolarHBondContact O-N 2.91Å
177V96.5Very high95.5Very high0 Ų046.3 Ų46.30%025%0.247CC..Hα-helixtrans-71.4-43.6177.5173.60000111.8L15 H19 L21 F158 V173 L174 T175 A180L15-V177 HydrophobicContact CD2-CG1 3.75Å; L15-V177 HydrophobicContact CG-CG1 3.92Å; H19-V177 HydrophobicContact CB-CG2 4.11Å; L21-V177 HydrophobicContact CD1-CG1 3.91Å; L21-V177 HydrophobicContact CD1-CG2 3.83Å; F158-V177 HydrophobicContact CD1-CG2 4.47Å; F158-V177 HydrophobicContact CE1-CB 4.13Å; F158-V177 HydrophobicContact CE1-CG1 3.95Å; F158-V177 HydrophobicContact CE1-CG2 4.21Å; V173-V177 HydrophobicContact CG1-CG2 4.28Å; V173-V177 VanDerWaalsContact O-CG2 3.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.3Å; V173-V177 PolarHBondContact O-N 3.37Å; L174-V177 PolarHBondContact O-N 2.91Å; T175-V177 VanDerWaalsContact C-N 3.31Å; T175-V177 PolarHBondContact O-N 2.74Å; V177-A180 WeakPolarHBondContact O-CB 3.28Å
178F96.8Very high96Very high1 Ų143.9 Ų43.90%0.00423%0.234CC..Hα-helixtrans-86.8-13.3-176.7-77.7-99.2000114.2I148 L150 F158 L174 T175 A180 F181 V219 L234I148-F178 HydrophobicContact CD1-CD1 4.06Å; I148-F178 HydrophobicContact CD1-CE1 4.1Å; L150-F178 HydrophobicContact CD1-CD1 4.26Å; L150-F178 HydrophobicContact CD1-CE1 3.58Å; L150-F178 HydrophobicContact CD1-CE2 3.99Å; L150-F178 HydrophobicContact CD1-CZ 3.43Å; L150-F178 VanDerWaalsContact CD1-CZ 3.43Å; L150-F178 HydrophobicContact CD2-CE1 4.2Å; L150-F178 HydrophobicContact CD2-CZ 4.32Å; F158-F178 AromaticContact CE1-CE2 3.99Å; F158-F178 HydrophobicContact CE1-CE2 3.99Å; F158-F178 HydrophobicContact CZ-CE2 4.23Å; L174-F178 HydrophobicContact CD1-CD2 3.56Å; L174-F178 HydrophobicContact CD1-CE2 3.49Å; L174-F178 VanDerWaalsContact CD1-CE2 3.49Å; L174-F178 HydrophobicContact CG-CD2 4.31Å; L174-F178 WeakPolarHBondContact O-CD2 3.15Å; L174-F178 PolarHBondContact O-N 3.14Å; T175-F178 PolarHBondContact O-N 3.23Å; F178-A180 PolarHBondContact O-N 2.84Å; F178-A180 VanDerWaalsContact O-N 3.08Å; F178-F181 AromaticContact CD1-CD2 3.96Å; F178-F181 HydrophobicContact CD1-CD2 3.96Å; F178-F181 AromaticContact CD1-CE2 3.72Å; F178-F181 HydrophobicContact CD1-CE2 3.72Å; F178-F181 HydrophobicContact CE1-CE2 4.02Å; F178-F181 PolarHBondContact O-N 2.86Å; F178-F181 VanDerWaalsContact O-N 3.16Å; F178-V219 HydrophobicContact CB-CG1 4.07Å; F178-V219 HydrophobicContact CG-CG2 4.44Å; F178-L234 HydrophobicContact CE1-CD1 4.02Å
179Q96.4Very high96.2Very high105 Ų10537.8 Ų37.849%0.49121%0.211SC..THydrogen-bonded Turntrans-56.8-19.2167.2-88.4177.82.400113.6T175 F181 G182 V184T175-Q179 HydrophobicContact CG2-CG 4.26Å; T175-Q179 WeakPolarHBondContact O-CB 3.32Å; T175-Q179 VanDerWaalsContact O-CG 3.24Å; T175-Q179 WeakPolarHBondContact O-CG 3.5Å; T175-Q179 PolarHBondContact O-N 2.66Å; Q179-F181 PolarHBondContact O-N 2.77Å; Q179-G182 WeakPolarHBondContact CA-O 3.17Å; Q179-G182 PolarHBondContact O-N 2.85Å; Q179-V184 HydrophobicContact CG-CB 4.26Å; Q179-V184 HydrophobicContact CG-CG2 3.95Å
180A95.9Very high96.1Very high65 Ų6538 Ų3854%0.53721%0.212SC..THydrogen-bonded Turntrans-56.8-27.7173.600000114.1L15 V177 F178L15-A180 HydrophobicContact CD1-CB 4.2Å; L15-A180 WeakPolarHBondContact O-CB 3.47Å; V177-A180 WeakPolarHBondContact O-CB 3.28Å; F178-A180 PolarHBondContact O-N 2.84Å; F178-A180 VanDerWaalsContact O-N 3.08Å
181F96.6Very high95.8Very high16 Ų1640.4 Ų40.47%0.0722%0.223CC..THydrogen-bonded Turntrans-89.3-30178.8-56.2-60000113.3L15 L23 F178 Q179 Y221 K229 A230 L234L15-F181 HydrophobicContact CD1-CE1 4.02Å; L15-F181 HydrophobicContact CD1-CE2 3.69Å; L15-F181 HydrophobicContact CD1-CZ 3.33Å; L23-F181 HydrophobicContact CD1-CZ 4.32Å; F178-F181 AromaticContact CD1-CD2 3.96Å; F178-F181 HydrophobicContact CD1-CD2 3.96Å; F178-F181 AromaticContact CD1-CE2 3.72Å; F178-F181 HydrophobicContact CD1-CE2 3.72Å; F178-F181 HydrophobicContact CE1-CE2 4.02Å; F178-F181 PolarHBondContact O-N 2.86Å; F178-F181 VanDerWaalsContact O-N 3.16Å; Q179-F181 PolarHBondContact O-N 2.77Å; F181-Y221 HydrophobicContact CB-CE1 4.15Å; F181-Y221 WeakPolarHBondContact CD2-OH 3.21Å; F181-K229 HydrophobicContact CB-CB 4.29Å; F181-K229 VanDerWaalsContact O-CD 3.23Å; F181-K229 WeakPolarHBondContact O-CD 3.34Å; F181-A230 HydrophobicContact CB-CB 3.9Å; F181-A230 HydrophobicContact CD1-CB 4.4Å; F181-A230 HydrophobicContact CD2-CB 3.63Å; F181-A230 HydrophobicContact CE2-CB 4.21Å; F181-A230 HydrophobicContact CG-CB 3.71Å; F181-L234 HydrophobicContact CE2-CD1 4.35Å; F181-L234 HydrophobicContact CE2-CD2 4.46Å; F181-L234 HydrophobicContact CE2-CG 4.41Å; F181-L234 HydrophobicContact CZ-CD2 4.15Å; F181-L234 HydrophobicContact CZ-CG 4.15Å
182G96.4Very high95.5Very high18 Ų1838.4 Ų38.419%0.18621%0.214CC..SBendtrans168.1171.9-177.300000111.8Q179 V184Q179-G182 WeakPolarHBondContact CA-O 3.17Å; Q179-G182 PolarHBondContact O-N 2.85Å; G182-V184 PolarHBondContact O-N 2.82Å; G182-V184 VanDerWaalsContact O-N 3.12Å
183K97.8Very high95.1Very high134 Ų13436.5 Ų36.558%0.58320%0.196SC*.  trans-66114.7-176.9-172.9178.4172.6-156.30111.2Q222K183-Q222 VanDerWaalsContact CE-OE1 3.25Å; K183-Q222 PolarHBondContact O-N 2.88Å
184V97.8Very high94.6Very high16 Ų1641.1 Ų41.110%0.09723%0.226CC..EExtended strand (participates in β ladder)trans-74.7135.6175.21780000110T175 Q179 G182 V187 V219 Q220 Y221T175-V184 HydrophobicContact CG2-CB 4.28Å; T175-V184 HydrophobicContact CG2-CG1 4.29Å; Q179-V184 HydrophobicContact CG-CB 4.26Å; Q179-V184 HydrophobicContact CG-CG2 3.95Å; G182-V184 PolarHBondContact O-N 2.82Å; G182-V184 VanDerWaalsContact O-N 3.12Å; V184-V187 HydrophobicContact CG1-CG2 3.51Å; V184-V219 HydrophobicContact CG1-CG1 4.05Å; V184-V219 HydrophobicContact CG2-CG1 3.97Å; V184-Q220 CarbonylContact C-O 3.32Å; V184-Q220 WeakPolarHBondContact CA-O 3.24Å; V184-Y221 HydrophobicContact CG2-CD1 4.19Å; V184-Y221 HydrophobicContact CG2-CE1 3.96Å
185R96Very high93.9Very high91 Ų9143 Ų4334%0.34323%0.233SC..EExtended strand (participates in β ladder)trans-96.2-55.1175.1170.1175.5164.4148.2-8.1111.2Q220 D265R185-Q220 HydrophobicContact CB-CG 4.33Å; R185-Q220 PolarHBondContact N-O 3.19Å; R185-D265 IonicContact CZ-OD1 3.97Å; R185-D265 IonicContact NH2-OD1 2.74Å; R185-D265 PolarHBondContact NH2-OD1 3.42Å; R185-D265 IonicContact NH2-OD2 2.87Å; R185-D265 PolarHBondContact NH2-OD2 3.15Å
186H96.3Very high93.1Very high66 Ų6642.3 Ų42.331%0.30623%0.227SC..EExtended strand (participates in β ladder)trans-136.6150.2-178.4-65.1-30.8000110.8Q220 L263H186-Q220 HydrophobicContact CB-CB 4.34Å; H186-Q220 PolarHBondContact CD2-OE1 2.88Å; H186-Q220 PolarHBondContact N-O 3.21Å; H186-Q220 PolarHBondContact O-N 3.16Å; H186-L263 HydrophobicContact CB-CD1 4.26Å; H186-L263 HydrophobicContact CB-CD2 4.34Å
187V97.3Very high92Very high24 Ų2445.7 Ų45.715%0.14524%0.236CC..EExtended strand (participates in β ladder)trans-135.6144.9173.8175.50000107.3E171 L174 T175 V184 Y218 V219E171-V187 HydrophobicContact CB-CG1 4.25Å; E171-V187 HydrophobicContact CG-CG1 4.25Å; L174-V187 HydrophobicContact CB-CG1 4.47Å; L174-V187 HydrophobicContact CD2-CG1 3.59Å; L174-V187 HydrophobicContact CG-CG1 4.21Å; T175-V187 WeakPolarHBondContact OG1-CG2 3.37Å; V184-V187 HydrophobicContact CG1-CG2 3.51Å; V187-Y218 WeakPolarHBondContact CA-O 3.3Å; V187-V219 HydrophobicContact CG2-CG1 4.43Å; V187-V219 HydrophobicContact CG2-CG2 4.34Å
188D95.5Very high90.7Very high18 Ų1852 Ų5210%0.09627%0.266CS..EExtended strand (participates in β ladder)trans-142.9126.3173.1-175103.9000108.8R196 A217 Y218 H262 L263 R271D188-R196 IonicContact OD1-NH1 2.68Å; D188-R196 PolarHBondContact OD1-NH1 3.02Å; D188-R196 IonicContact OD2-CZ 3.73Å; D188-R196 IonicContact OD2-NH1 3.35Å; D188-R196 PolarHBondContact OD2-NH1 2.99Å; D188-R196 IonicContact OD2-NH2 2.64Å; D188-A217 WeakPolarHBondContact O-CA 3.17Å; D188-Y218 PolarHBondContact N-O 3.16Å; D188-Y218 VanDerWaalsContact N-O 3.09Å; D188-Y218 PolarHBondContact O-N 2.82Å; D188-H262 IonicContact OD2-CD2 2.73Å; D188-H262 IonicContact OD2-CE1 3.65Å; D188-H262 IonicContact OD2-NE2 3.47Å; D188-H262 PolarHBondContact OD2-NE2 2.98Å; D188-L263 HydrophobicContact CB-CD2 3.65Å; D188-R271 IonicContact OD1-CZ 3.56Å; D188-R271 VanDerWaalsContact OD1-CZ 3.29Å; D188-R271 IonicContact OD1-NH1 3.45Å; D188-R271 PolarHBondContact OD1-NH1 3.22Å; D188-R271 IonicContact OD1-NH2 3.55Å; D188-R271 PolarHBondContact OD1-NH2 3.25Å; D188-R271 IonicContact OD2-NH1 2.85Å
189I95.3Very high89.4Confident2 Ų253.1 Ų53.11%0.0127%0.271CS..  trans-109.899.8170.8-61173.9000107.5P169 E171 L174 M191 L192 F215 A217P169-I189 HydrophobicContact CB-CD1 4.27Å; P169-I189 HydrophobicContact CG-CG2 4.16Å; E171-I189 HydrophobicContact CG-CB 4.3Å; E171-I189 HydrophobicContact CG-CD1 3.74Å; E171-I189 HydrophobicContact CG-CG1 3.88Å; E171-I189 PolarHBondContact OE1-N 2.86Å; E171-I189 VanDerWaalsContact OE1-N 3.17Å; L174-I189 HydrophobicContact CB-CD1 4.42Å; L174-I189 HydrophobicContact CD2-CD1 3.87Å; L174-I189 HydrophobicContact CD2-CG1 3.84Å; I189-M191 VanDerWaalsContact C-N 3.25Å; I189-M191 HydrophobicContact CG2-CG 3.75Å; I189-M191 PolarHBondContact O-N 2.73Å; I189-M191 VanDerWaalsContact O-N 3.07Å; I189-L192 HydrophobicContact CB-CD1 3.87Å; I189-L192 HydrophobicContact CB-CG 3.92Å; I189-L192 HydrophobicContact CD1-CD1 4.06Å; I189-L192 HydrophobicContact CG1-CD1 4.48Å; I189-L192 HydrophobicContact CG2-CD1 4.16Å; I189-L192 HydrophobicContact CG2-CG 3.79Å; I189-L192 WeakPolarHBondContact O-CB 3.49Å; I189-L192 PolarHBondContact O-N 2.84Å; I189-F215 HydrophobicContact CD1-CD2 4.33Å; I189-F215 HydrophobicContact CD1-CE2 3.85Å; I189-F215 HydrophobicContact CG1-CD2 4.33Å; I189-F215 HydrophobicContact CG1-CE2 4.13Å; I189-F215 HydrophobicContact CG2-CD2 3.73Å; I189-F215 HydrophobicContact CG2-CE2 4.32Å; I189-F215 HydrophobicContact CG2-CG 4.46Å; I189-A217 HydrophobicContact CG1-CB 3.94Å
190P91.6Very high87.9Confident8 Ų851.5 Ų51.55%0.05227%0.266CS..G310 helixtrans-53.4-36.3-170.1-32.138000115.2L192 D193 E216 Y218P190-L192 PolarHBondContact O-N 3.29Å; P190-L192 VanDerWaalsContact O-N 3.16Å; P190-D193 PolarHBondContact O-N 2.8Å; P190-E216 HydrophobicContact CB-CG 4.45Å; P190-E216 WeakPolarHBondContact CD-O 3.4Å; P190-E216 HydrophobicContact CG-CG 4.07Å; P190-E216 WeakPolarHBondContact CG-OE1 3.49Å; P190-Y218 HydrophobicContact CG-CD2 4.29Å; P190-Y218 HydrophobicContact CG-CE2 4.15Å
191M88.1Confident85.9Confident69 Ų6955.5 Ų55.534%0.3428%0.278SS..G310 helixtrans-70.2-2.9178.269.9162.5-69.100115.4P169 I189 H212 F215P169-M191 HydrophobicContact CG-SD 4.14Å; I189-M191 VanDerWaalsContact C-N 3.25Å; I189-M191 HydrophobicContact CG2-CG 3.75Å; I189-M191 PolarHBondContact O-N 2.73Å; I189-M191 VanDerWaalsContact O-N 3.07Å; M191-H212 HydrophobicContact CE-CB 3.93Å; M191-H212 HydrophobicContact SD-CB 4.14Å; M191-F215 HydrophobicContact CG-CB 4.16Å; M191-F215 HydrophobicContact SD-CB 3.44Å; M191-F215 WeakPolarHBondContact SD-CB 3.43Å
192L89.8Confident83.8Confident33 Ų3364.6 Ų64.617%0.17332%0.318CS..G310 helixtrans-91.5-10.8175.3-64.1-173000113.7R168 P169 E171 I189 P190 P194R168-L192 HydrophobicContact CG-CD2 3.79Å; P169-L192 HydrophobicContact CG-CD2 4.23Å; E171-L192 HydrophobicContact CG-CD1 3.98Å; I189-L192 HydrophobicContact CB-CD1 3.87Å; I189-L192 HydrophobicContact CB-CG 3.92Å; I189-L192 HydrophobicContact CD1-CD1 4.06Å; I189-L192 HydrophobicContact CG1-CD1 4.48Å; I189-L192 HydrophobicContact CG2-CD1 4.16Å; I189-L192 HydrophobicContact CG2-CG 3.79Å; I189-L192 WeakPolarHBondContact O-CB 3.49Å; I189-L192 PolarHBondContact O-N 2.84Å; P190-L192 PolarHBondContact O-N 3.29Å; P190-L192 VanDerWaalsContact O-N 3.16Å; L192-P194 WeakPolarHBondContact O-CD 3.36Å
193D87.2Confident81.3Confident21 Ų2171 Ų7111%0.11235%0.348CS..  trans-101.9105.3-177.8-173.96.5000110.6P190 Y195 R196 R275P190-D193 PolarHBondContact O-N 2.8Å; D193-Y195 PolarHBondContact O-N 3.3Å; D193-Y195 VanDerWaalsContact O-N 3.14Å; D193-R196 HydrophobicContact CB-CB 4.25Å; D193-R196 VanDerWaalsContact O-CB 3.26Å; D193-R196 WeakPolarHBondContact O-CB 3.5Å; D193-R196 PolarHBondContact O-N 2.8Å; D193-R196 VanDerWaalsContact O-N 3.11Å; D193-R275 VanDerWaalsContact CG-NE 3.34Å; D193-R275 IonicContact OD1-CZ 2.66Å; D193-R275 IonicContact OD1-NE 2.79Å; D193-R275 PolarHBondContact OD1-NE 3.46Å; D193-R275 IonicContact OD1-NH2 2.76Å; D193-R275 IonicContact OD2-CZ 3.91Å; D193-R275 IonicContact OD2-NE 3.78Å; D193-R275 PolarHBondContact OD2-NE 3.47Å; D193-R275 IonicContact OD2-NH2 3.05Å; D193-R275 PolarHBondContact OD2-NH2 2.92Å
194P84.8Confident78.8Confident107 Ų10768.9 Ų68.970%0.69534%0.339SS*.THydrogen-bonded Turntrans-61.2-27.3-173.7-24.435.2000114L192 R196L192-P194 WeakPolarHBondContact O-CD 3.36Å; P194-R196 VanDerWaalsContact C-N 3.27Å; P194-R196 PolarHBondContact O-N 2.64Å
195Y83.1Confident76Confident39 Ų3973.3 Ų73.315%0.15337%0.371CS..THydrogen-bonded Turntrans-84.3-1.3-176.5-56.4-81.5000112.7D193 E197 E198 M199 R275 L278 Q279 E282D193-Y195 PolarHBondContact O-N 3.3Å; D193-Y195 VanDerWaalsContact O-N 3.14Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.01Å; Y195-E198 PolarHBondContact O-N 3.17Å; Y195-E198 VanDerWaalsContact O-N 3.08Å; Y195-M199 WeakPolarHBondContact O-CG 3.41Å; Y195-M199 PolarHBondContact O-N 3.2Å; Y195-M199 VanDerWaalsContact O-N 3.11Å; Y195-R275 HydrophobicContact CD2-CG 3.51Å; Y195-R275 HydrophobicContact CE2-CG 4.16Å; Y195-R275 HydrophobicContact CG-CG 3.99Å; Y195-L278 HydrophobicContact CD1-CB 3.7Å; Y195-L278 HydrophobicContact CD1-CD1 4.13Å; Y195-L278 HydrophobicContact CE1-CB 4.14Å; Y195-L278 HydrophobicContact CG-CB 4.46Å; Y195-L278 HydrophobicContact CG-CD1 4.43Å; Y195-Q279 HydrophobicContact CE1-CG 4.29Å; Y195-Q279 HydrophobicContact CE2-CG 3.95Å; Y195-E282 PolarHBondContact OH-OE2 2.81Å
196R80Confident73.5Confident21 Ų2171.1 Ų71.18%0.07937%0.367CS..Hα-helixtrans-64.8-34.9-173.1-155.869.2176.2-109.75.4113.4D188 D193 P194 E198 M199 L200 H262D188-R196 IonicContact OD1-NH1 2.68Å; D188-R196 PolarHBondContact OD1-NH1 3.02Å; D188-R196 IonicContact OD2-CZ 3.73Å; D188-R196 IonicContact OD2-NH1 3.35Å; D188-R196 PolarHBondContact OD2-NH1 2.99Å; D188-R196 IonicContact OD2-NH2 2.64Å; D193-R196 HydrophobicContact CB-CB 4.25Å; D193-R196 VanDerWaalsContact O-CB 3.26Å; D193-R196 WeakPolarHBondContact O-CB 3.5Å; D193-R196 PolarHBondContact O-N 2.8Å; D193-R196 VanDerWaalsContact O-N 3.11Å; P194-R196 VanDerWaalsContact C-N 3.27Å; P194-R196 PolarHBondContact O-N 2.64Å; R196-E198 VanDerWaalsContact C-N 3.28Å; R196-E198 PolarHBondContact O-N 3.05Å; R196-M199 PolarHBondContact O-N 3.19Å; R196-L200 HydrophobicContact CG-CD1 4.29Å; R196-L200 WeakPolarHBondContact O-CG 3.39Å; R196-L200 PolarHBondContact O-N 2.86Å; R196-H262 PolarHBondContact NH2-CE1 3.36Å; R196-H262 PolarHBondContact NH2-ND1 2.9Å; R196-H262 PolarHBondContact NH2-NE2 3.43Å
197E72.9Confident70.6Confident105 Ų10576.8 Ų76.849%0.49139%0.391SS..Hα-helixtrans-72.2-20.8176-60.7-163.5147.700112.8Y195 T206Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 3.01Å; E197-T206 WeakPolarHBondContact OE1-CB 3.34Å; E197-T206 PolarHBondContact OE1-OG1 2.71Å
198E70.1Confident67.9Low132 Ų13278.4 Ų78.462%0.61740%0.404SS*.Hα-helixtrans-87.9-25.8176.3-58.5-170.7146.400112.7Y195 R196 L278Y195-E198 PolarHBondContact O-N 3.17Å; Y195-E198 VanDerWaalsContact O-N 3.08Å; R196-E198 VanDerWaalsContact C-N 3.28Å; R196-E198 PolarHBondContact O-N 3.05Å; E198-L278 HydrophobicContact CB-CD1 3.95Å
199M68.3Low65.1Low25 Ų2587.8 Ų87.812%0.12344%0.444CS..Hα-helixtrans-76.7-24.2174-67169.7-172.800113.9Y195 R196 R271 E274 R275 L278Y195-M199 WeakPolarHBondContact O-CG 3.41Å; Y195-M199 PolarHBondContact O-N 3.2Å; Y195-M199 VanDerWaalsContact O-N 3.11Å; R196-M199 PolarHBondContact O-N 3.19Å; M199-R271 VanDerWaalsContact CE-O 3.26Å; M199-R271 WeakPolarHBondContact CE-O 3.32Å; M199-R271 HydrophobicContact SD-CB 4.21Å; M199-R271 HydrophobicContact SD-CG 4.3Å; M199-E274 HydrophobicContact CE-CB 4.23Å; M199-E274 HydrophobicContact CG-CB 4.09Å; M199-R275 HydrophobicContact CE-CB 3.57Å; M199-R275 HydrophobicContact CE-CG 4.03Å; M199-L278 HydrophobicContact CG-CD1 4.46Å
200L65.4Low62.6Low71 Ų7191.9 Ų91.937%0.37249%0.487SS..SBendtrans-97.4136.9-174.6-67.9172.4000111R196 K202 F204R196-L200 HydrophobicContact CG-CD1 4.29Å; R196-L200 WeakPolarHBondContact O-CG 3.39Å; R196-L200 PolarHBondContact O-N 2.86Å; L200-K202 PolarHBondContact O-N 3.35Å; L200-F204 HydrophobicContact CB-CB 4.44Å; L200-F204 HydrophobicContact CD1-CB 3.9Å; L200-F204 HydrophobicContact CD1-CD1 4.08Å; L200-F204 HydrophobicContact CD1-CG 3.96Å
201D54.2Low60.9Low150 Ų15093.9 Ų93.980%0.80251%0.509SS*.  trans-69.471.4-178.9-82.6-56.2000113.3N203D201-N203 PolarHBondContact O-N 3.31Å
202K51.7Low59.6Low206 Ų20693.6 Ų93.690%0.89651%0.506SS*.SBendtrans53.1-0.8161.6-67.2178179.6169.70119.1L200L200-K202 PolarHBondContact O-N 3.35Å
203N44.2Very low59.3Low154 Ų15497.8 Ų97.882%0.82453%0.528SS*.  trans-96-11.5-179-744.3000113D201 S205D201-N203 PolarHBondContact O-N 3.31Å; N203-S205 PolarHBondContact O-N 3.27Å
204F45.1Very low59.4Low88 Ų8898.5 Ų98.539%0.38653%0.532SS..  trans-86.992.2177.8-155.4-107.8000110.5L200 T206L200-F204 HydrophobicContact CB-CB 4.44Å; L200-F204 HydrophobicContact CD1-CB 3.9Å; L200-F204 HydrophobicContact CD1-CD1 4.08Å; L200-F204 HydrophobicContact CD1-CG 3.96Å; F204-T206 HydrophobicContact CD1-CG2 3.86Å; F204-T206 VanDerWaalsContact CD1-OG1 3.3Å; F204-T206 WeakPolarHBondContact CD1-OG1 3.44Å; F204-T206 HydrophobicContact CE1-CG2 3.35Å; F204-T206 HydrophobicContact CZ-CG2 4.03Å; F204-T206 PolarHBondContact O-N 3.12Å; F204-T206 VanDerWaalsContact O-N 3.14Å
205S39.6Very low59.8Low110 Ų11093.8 Ų93.877%0.76950%0.501SS*.  trans-85.766.6-177.21740000112.3N203 F207N203-S205 PolarHBondContact O-N 3.27Å; S205-F207 PolarHBondContact O-N 2.78Å
206T42.6Very low60.3Low44 Ų4494.4 Ų94.427%0.2751%0.505SS..  trans-85.538.6170.2330000113.7E197 F204 S208E197-T206 WeakPolarHBondContact OE1-CB 3.34Å; E197-T206 PolarHBondContact OE1-OG1 2.71Å; F204-T206 HydrophobicContact CD1-CG2 3.86Å; F204-T206 VanDerWaalsContact CD1-OG1 3.3Å; F204-T206 WeakPolarHBondContact CD1-OG1 3.44Å; F204-T206 HydrophobicContact CE1-CG2 3.35Å; F204-T206 HydrophobicContact CZ-CG2 4.03Å; F204-T206 PolarHBondContact O-N 3.12Å; F204-T206 VanDerWaalsContact O-N 3.14Å; T206-S208 VanDerWaalsContact C-N 3.28Å; T206-S208 PolarHBondContact O-N 2.96Å
207F35.2Very low61.1Low186 Ų18693.4 Ų93.482%0.81650%0.501SS*.  trans-6584.2174-141.6-83000110.8S205S205-F207 PolarHBondContact O-N 2.78Å
208S41.2Very low62.3Low57 Ų5789.6 Ų89.640%0.39948%0.482SS..  trans-147.455.7-172.1-81.50000111.1T206 G210 G211 H212T206-S208 VanDerWaalsContact C-N 3.28Å; T206-S208 PolarHBondContact O-N 2.96Å; S208-G210 VanDerWaalsContact C-N 3.28Å; S208-G210 PolarHBondContact O-N 2.7Å; S208-G211 PolarHBondContact O-N 3.34Å; S208-H212 WeakPolarHBondContact CB-NE2 3.42Å
209F36.3Very low63.6Low215 Ų21583.3 Ų83.394%0.94345%0.453SS*.THydrogen-bonded Turntrans-57.982.2176.7-157.6-89.1000111.4
210G43.5Very low65Low88 Ų8882.1 Ų82.191%0.90745%0.447SS*.THydrogen-bonded Turntrans9041.4-17800000116.1S208S208-G210 VanDerWaalsContact C-N 3.28Å; S208-G210 PolarHBondContact O-N 2.7Å
211G55.4Low66.6Low50 Ų5078.7 Ų78.752%0.51543%0.43SS..  trans-141.2-1.5-174.400000119.9S208 L213S208-G211 PolarHBondContact O-N 3.34Å; G211-L213 PolarHBondContact O-N 3.21Å
212H62Low68.6Low63 Ų6376 Ų7629%0.29241%0.412SS..  trans-72.490.8-177.1-67.7-77.5000112.6C155 M191 S208 N214C155-H212 PolarHBondContact SG-O 3.09Å; M191-H212 HydrophobicContact CE-CB 3.93Å; M191-H212 HydrophobicContact SD-CB 4.14Å; S208-H212 WeakPolarHBondContact CB-NE2 3.42Å; H212-N214 VanDerWaalsContact C-N 3.26Å
213L81.7Confident70.6Confident121 Ų12171.5 Ų71.563%0.63439%0.394SS*.SBendtrans-71.1-24168.1-67.1176.1000112.6P154 C155 G211P154-L213 WeakPolarHBondContact CA-O 3.14Å; C155-L213 PolarHBondContact N-O 3.42Å; G211-L213 PolarHBondContact O-N 3.21Å
214N89.9Confident73Confident36 Ų3668 Ų6819%0.19337%0.37CS..EExtended strand (participates in β ladder)trans-133152.4177.3-49.888000110.1M1 G152 L153 C155 H212M1-N214 PolarHBondContact N-ND2 2.86Å; M1-N214 PolarHBondContact N-OD1 3.16Å; M1-N214 PolarHBondContact O-ND2 3.32Å; M1-N214 PolarHBondContact O-OD1 2.92Å; G152-N214 PolarHBondContact O-ND2 3.09Å; L153-N214 CarbonylContact O-C 3.6Å; L153-N214 WeakPolarHBondContact O-CA 3.18Å; L153-N214 WeakPolarHBondContact O-CB 3.32Å; C155-N214 VanDerWaalsContact SG-C 3.57Å; H212-N214 VanDerWaalsContact C-N 3.26Å
215F92.5Very high75.4Confident8 Ų866.1 Ų66.14%0.03537%0.367CS..EExtended strand (participates in β ladder)trans-124168.2177.767.9-80.6000112.2G152 L153 C155 F158 P169 L174 I189 M191 A217G152-F215 PolarHBondContact N-O 3.07Å; L153-F215 HydrophobicContact CB-CD1 3.79Å; L153-F215 HydrophobicContact CB-CD2 4.26Å; L153-F215 HydrophobicContact CB-CE1 3.43Å; L153-F215 VanDerWaalsContact CB-CE1 3.43Å; L153-F215 HydrophobicContact CB-CE2 3.96Å; L153-F215 HydrophobicContact CB-CG 4.19Å; L153-F215 HydrophobicContact CB-CZ 3.53Å; L153-F215 HydrophobicContact CD1-CD2 4.16Å; L153-F215 HydrophobicContact CD1-CE1 4.43Å; L153-F215 HydrophobicContact CD1-CE2 3.5Å; L153-F215 HydrophobicContact CD1-CZ 3.65Å; L153-F215 HydrophobicContact CG-CE2 4.38Å; L153-F215 HydrophobicContact CG-CZ 4.25Å; L153-F215 PolarHBondContact N-O 2.77Å; L153-F215 WeakPolarHBondContact O-CD1 3.48Å; L153-F215 PolarHBondContact O-N 3.35Å; C155-F215 HydrophobicContact CB-CD1 4.33Å; F158-F215 HydrophobicContact CB-CE1 3.82Å; F158-F215 HydrophobicContact CB-CZ 3.6Å; F158-F215 HydrophobicContact CD1-CZ 4.4Å; F158-F215 AromaticContact CD2-CE1 3.66Å; F158-F215 HydrophobicContact CD2-CE1 3.66Å; F158-F215 AromaticContact CD2-CZ 3.65Å; F158-F215 HydrophobicContact CD2-CZ 3.65Å; F158-F215 HydrophobicContact CE2-CZ 4.42Å; F158-F215 AromaticContact CG-CE1 3.98Å; F158-F215 HydrophobicContact CG-CE1 3.98Å; F158-F215 AromaticContact CG-CZ 3.63Å; F158-F215 HydrophobicContact CG-CZ 3.63Å; P169-F215 HydrophobicContact CB-CD1 3.88Å; P169-F215 HydrophobicContact CB-CD2 4.36Å; P169-F215 HydrophobicContact CB-CE1 3.68Å; P169-F215 HydrophobicContact CB-CE2 4.17Å; P169-F215 HydrophobicContact CB-CG 4.23Å; P169-F215 HydrophobicContact CB-CZ 3.84Å; P169-F215 HydrophobicContact CG-CB 4.39Å; P169-F215 HydrophobicContact CG-CD1 4.01Å; P169-F215 HydrophobicContact CG-CD2 4.29Å; P169-F215 HydrophobicContact CG-CE1 4.32Å; P169-F215 HydrophobicContact CG-CG 4.01Å; L174-F215 HydrophobicContact CD2-CE2 4.3Å; I189-F215 HydrophobicContact CD1-CD2 4.33Å; I189-F215 HydrophobicContact CD1-CE2 3.85Å; I189-F215 HydrophobicContact CG1-CD2 4.33Å; I189-F215 HydrophobicContact CG1-CE2 4.13Å; I189-F215 HydrophobicContact CG2-CD2 3.73Å; I189-F215 HydrophobicContact CG2-CE2 4.32Å; I189-F215 HydrophobicContact CG2-CG 4.46Å; M191-F215 HydrophobicContact CG-CB 4.16Å; M191-F215 HydrophobicContact SD-CB 3.44Å; M191-F215 WeakPolarHBondContact SD-CB 3.43Å; F215-A217 HydrophobicContact CD2-CB 4.07Å; F215-A217 HydrophobicContact CE2-CB 3.88Å
216E94Very high78.2Confident52 Ų5261 Ų6124%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-108.5150167.368.1-172.3-151.800109.5L150 P190L150-E216 CarbonylContact O-C 3.44Å; L150-E216 WeakPolarHBondContact O-CA 3.46Å; P190-E216 HydrophobicContact CB-CG 4.45Å; P190-E216 WeakPolarHBondContact CD-O 3.4Å; P190-E216 HydrophobicContact CG-CG 4.07Å; P190-E216 WeakPolarHBondContact CG-OE1 3.49Å
217A96.8Very high80.8Confident0 Ų058.9 Ų58.90%032%0.318CS..EExtended strand (participates in β ladder)trans-154.3154178.100000113.3H149 L150 L153 L174 D188 I189 F215H149-A217 PolarHBondContact CD2-O 3.06Å; L150-A217 PolarHBondContact N-O 2.69Å; L150-A217 PolarHBondContact O-N 3.09Å; L153-A217 HydrophobicContact CD1-CB 3.99Å; L174-A217 HydrophobicContact CD2-CB 3.41Å; L174-A217 VanDerWaalsContact CD2-CB 3.41Å; D188-A217 WeakPolarHBondContact O-CA 3.17Å; I189-A217 HydrophobicContact CG1-CB 3.94Å; F215-A217 HydrophobicContact CD2-CB 4.07Å; F215-A217 HydrophobicContact CE2-CB 3.88Å
218Y97.9Very high83.7Confident25 Ų2551.2 Ų51.210%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-115.2134.5176.7-65.7-109.2000108.9I148 H149 V187 D188 P190 D258 H262I148-Y218 WeakPolarHBondContact O-CA 3.42Å; H149-Y218 HydrophobicContact CB-CD1 3.94Å; H149-Y218 HydrophobicContact CB-CE1 3.76Å; H149-Y218 AromaticContact CD2-CD2 3.72Å; H149-Y218 AromaticContact CD2-CE1 3.7Å; H149-Y218 AromaticContact CD2-CE2 3.24Å; H149-Y218 WeakPolarHBondContact CD2-CE2 3.48Å; H149-Y218 AromaticContact CD2-CZ 3.24Å; H149-Y218 AromaticContact CG-CE1 3.72Å; H149-Y218 AromaticContact CG-CZ 3.64Å; H149-Y218 AromaticContact NE2-CE2 3.59Å; H149-Y218 AromaticContact NE2-CZ 3.63Å; V187-Y218 WeakPolarHBondContact CA-O 3.3Å; D188-Y218 PolarHBondContact N-O 3.16Å; D188-Y218 VanDerWaalsContact N-O 3.09Å; D188-Y218 PolarHBondContact O-N 2.82Å; P190-Y218 HydrophobicContact CG-CD2 4.29Å; P190-Y218 HydrophobicContact CG-CE2 4.15Å; Y218-D258 HydrophobicContact CD1-CB 4.38Å; Y218-D258 HydrophobicContact CE1-CB 4.47Å; Y218-H262 HydrophobicContact CD1-CB 3.56Å; Y218-H262 AromaticContact CD1-CD2 3.67Å; Y218-H262 AromaticContact CD1-CG 3.62Å; Y218-H262 AromaticContact CD2-CD2 3.51Å; Y218-H262 AromaticContact CD2-CE1 3.4Å; Y218-H262 VanDerWaalsContact CD2-CE1 3.4Å; Y218-H262 WeakPolarHBondContact CD2-CE1 3.32Å; Y218-H262 AromaticContact CD2-CG 3.94Å; Y218-H262 AromaticContact CD2-ND1 3.96Å; Y218-H262 AromaticContact CD2-NE2 3.18Å; Y218-H262 WeakPolarHBondContact CD2-NE2 3.11Å; Y218-H262 HydrophobicContact CE1-CB 3.54Å; Y218-H262 AromaticContact CE1-CG 3.64Å; Y218-H262 AromaticContact CE1-ND1 3.81Å; Y218-H262 AromaticContact CE2-CD2 4Å; Y218-H262 AromaticContact CE2-CE1 3.21Å; Y218-H262 WeakPolarHBondContact CE2-CE1 3.35Å; Y218-H262 AromaticContact CE2-CG 4Å; Y218-H262 AromaticContact CE2-ND1 3.62Å; Y218-H262 AromaticContact CE2-NE2 3.55Å; Y218-H262 HydrophobicContact CG-CB 4.2Å; Y218-H262 AromaticContact CG-CD2 3.35Å; Y218-H262 AromaticContact CG-CG 3.77Å; Y218-H262 AromaticContact CG-NE2 3.56Å; Y218-H262 AromaticContact CZ-CE1 3.65Å; Y218-H262 AromaticContact CZ-CG 3.84Å; Y218-H262 AromaticContact CZ-ND1 3.53Å
219V98.2Very high86.3Confident0 Ų053.7 Ų53.70%029%0.291CS..EExtended strand (participates in β ladder)trans-130.9117.5178.7179.60000108.7T147 I148 L150 L174 F178 V184 V187 Y221T147-V219 WeakPolarHBondContact CA-O 3.49Å; I148-V219 HydrophobicContact CD1-CB 4.42Å; I148-V219 HydrophobicContact CG1-CB 3.94Å; I148-V219 PolarHBondContact N-O 2.96Å; I148-V219 PolarHBondContact O-N 3.44Å; L150-V219 HydrophobicContact CD1-CG2 4.03Å; L174-V219 HydrophobicContact CD2-CG2 4.18Å; L174-V219 HydrophobicContact CG-CG2 4.26Å; F178-V219 HydrophobicContact CB-CG1 4.07Å; F178-V219 HydrophobicContact CG-CG2 4.44Å; V184-V219 HydrophobicContact CG1-CG1 4.05Å; V184-V219 HydrophobicContact CG2-CG1 3.97Å; V187-V219 HydrophobicContact CG2-CG1 4.43Å; V187-V219 HydrophobicContact CG2-CG2 4.34Å; V219-Y221 HydrophobicContact CG1-CE1 4.42Å; V219-Y221 HydrophobicContact CG1-CE2 4.27Å
220Q97.9Very high89.2Confident0 Ų043.5 Ų43.50%025%0.246CC..EExtended strand (participates in β ladder)trans-103.7128.4177.4176.1179.585.300110.3G142 D146 T147 V184 R185 H186 L263G142-Q220 VanDerWaalsContact CA-NE2 3.33Å; G142-Q220 VanDerWaalsContact N-NE2 3.15Å; D146-Q220 WeakPolarHBondContact O-CA 3.02Å; T147-Q220 HydrophobicContact CG2-CB 4.41Å; T147-Q220 WeakPolarHBondContact OG1-CB 3.31Å; T147-Q220 WeakPolarHBondContact OG1-CG 3.3Å; T147-Q220 PolarHBondContact OG1-NE2 3.36Å; V184-Q220 CarbonylContact C-O 3.32Å; V184-Q220 WeakPolarHBondContact CA-O 3.24Å; R185-Q220 HydrophobicContact CB-CG 4.33Å; R185-Q220 PolarHBondContact N-O 3.19Å; H186-Q220 HydrophobicContact CB-CB 4.34Å; H186-Q220 PolarHBondContact CD2-OE1 2.88Å; H186-Q220 PolarHBondContact N-O 3.21Å; H186-Q220 PolarHBondContact O-N 3.16Å; Q220-L263 HydrophobicContact CB-CB 4.19Å; Q220-L263 HydrophobicContact CB-CD1 3.57Å; Q220-L263 PolarHBondContact NE2-O 3.45Å
221Y98.2Very high91.7Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-89.8154.4173-61.2-81.1000111.4D146 I148 F181 V184 V219 E223 F227 A230D146-Y221 WeakPolarHBondContact O-CD2 3.24Å; D146-Y221 PolarHBondContact O-N 3.27Å; I148-Y221 HydrophobicContact CD1-CE2 4.05Å; I148-Y221 HydrophobicContact CG1-CE2 4.22Å; F181-Y221 HydrophobicContact CB-CE1 4.15Å; F181-Y221 WeakPolarHBondContact CD2-OH 3.21Å; V184-Y221 HydrophobicContact CG2-CD1 4.19Å; V184-Y221 HydrophobicContact CG2-CE1 3.96Å; V219-Y221 HydrophobicContact CG1-CE1 4.42Å; V219-Y221 HydrophobicContact CG1-CE2 4.27Å; Y221-E223 VanDerWaalsContact C-N 3.27Å; Y221-F227 HydrophobicContact CD2-CB 4Å; Y221-A230 HydrophobicContact CE2-CB 3.85Å; Y221-A230 WeakPolarHBondContact OH-CB 3.39Å
222Q96.1Very high93.6Very high93 Ų9341.5 Ų41.544%0.43520%0.202SC..SBendtrans-71.2-26.1172.4-175.8166-3.600112.1R144 K183R144-Q222 PolarHBondContact NH2-O 3.25Å; K183-Q222 VanDerWaalsContact CE-OE1 3.25Å; K183-Q222 PolarHBondContact O-N 2.88Å
223E95.1Very high95.2Very high112 Ų11240.8 Ų40.852%0.52321%0.205SC..SBendtrans-134.3143.4-171.7-66.4170.2-150.800112.2Y221 C225 G226 F227Y221-E223 VanDerWaalsContact C-N 3.27Å; E223-C225 PolarHBondContact O-N 3.44Å; E223-C225 VanDerWaalsContact O-N 3.16Å; E223-C225 PolarHBondContact OE2-SG 3.06Å; E223-C225 VanDerWaalsContact OE2-SG 3.35Å; E223-G226 PolarHBondContact O-N 2.86Å; E223-F227 PolarHBondContact O-N 2.91Å
224Y94.3Very high95.9Very high80 Ų8035.2 Ų35.231%0.31418%0.175SC..Hα-helixtrans-53.4-34174.4-178.9-105.5000112.6R123 D127 P145 G226 F227 T228R123-Y224 PolarHBondContact NE-OH 2.82Å; R123-Y224 PolarHBondContact NH2-OH 3.08Å; D127-Y224 PolarHBondContact OD1-OH 2.79Å; D127-Y224 PolarHBondContact OD2-OH 2.77Å; P145-Y224 HydrophobicContact CB-CD2 4.08Å; P145-Y224 HydrophobicContact CB-CE2 3.87Å; P145-Y224 HydrophobicContact CG-CD2 3.79Å; P145-Y224 HydrophobicContact CG-CE2 3.59Å; P145-Y224 WeakPolarHBondContact O-CD2 3.25Å; Y224-G226 PolarHBondContact O-N 2.84Å; Y224-F227 HydrophobicContact CD2-CD1 4.38Å; Y224-F227 HydrophobicContact CE2-CD1 4.46Å; Y224-F227 PolarHBondContact O-N 2.91Å; Y224-T228 HydrophobicContact CD1-CG2 3.81Å; Y224-T228 HydrophobicContact CD2-CG2 4.28Å; Y224-T228 HydrophobicContact CE1-CG2 3.43Å; Y224-T228 VanDerWaalsContact CE1-CG2 3.43Å; Y224-T228 HydrophobicContact CE2-CG2 3.97Å; Y224-T228 HydrophobicContact CG-CG2 4.23Å; Y224-T228 PolarHBondContact O-N 2.86Å; Y224-T228 PolarHBondContact O-OG1 2.93Å
225C96Very high96Very high49 Ų4939.4 Ų39.433%0.33119%0.189SC..Hα-helixtrans-64.9-27179.287.50000113.4E223 T228 K229E223-C225 PolarHBondContact O-N 3.44Å; E223-C225 VanDerWaalsContact O-N 3.16Å; E223-C225 PolarHBondContact OE2-SG 3.06Å; E223-C225 VanDerWaalsContact OE2-SG 3.35Å; C225-T228 PolarHBondContact O-OG1 2.79Å; C225-K229 VanDerWaalsContact O-CB 3.29Å; C225-K229 WeakPolarHBondContact O-CB 3.35Å; C225-K229 VanDerWaalsContact O-CD 3.22Å; C225-K229 WeakPolarHBondContact O-CD 3.36Å; C225-K229 WeakPolarHBondContact O-CG 3.2Å; C225-K229 PolarHBondContact O-N 2.83Å
226G96.8Very high95.9Very high1 Ų140 Ų401%0.0120%0.197CC..Hα-helixtrans-75.1-41.8173.900000111.5E223 Y224 A230E223-G226 PolarHBondContact O-N 2.86Å; Y224-G226 PolarHBondContact O-N 2.84Å; G226-A230 WeakPolarHBondContact O-CB 3.12Å; G226-A230 PolarHBondContact O-N 2.7Å
227F97.3Very high95.9Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-61.7-49.5174.8170.2-90.9000112.1W126 P145 I148 Y221 E223 Y224 A230 M231 F257W126-F227 AromaticContact CD1-CE1 3.89Å; W126-F227 AromaticContact CD2-CE1 3.88Å; W126-F227 HydrophobicContact CD2-CE1 3.88Å; W126-F227 HydrophobicContact CD2-CZ 4.17Å; W126-F227 AromaticContact CE2-CE1 3.69Å; W126-F227 HydrophobicContact CG-CE1 4.02Å; W126-F227 HydrophobicContact CG-CZ 4.19Å; W126-F227 HydrophobicContact CZ2-CE1 4.21Å; W126-F227 AromaticContact NE1-CE1 3.73Å; P145-F227 HydrophobicContact CB-CD1 4.06Å; P145-F227 HydrophobicContact CB-CE1 3.64Å; P145-F227 HydrophobicContact CB-CZ 4Å; P145-F227 VanDerWaalsContact O-CD1 3.26Å; P145-F227 WeakPolarHBondContact O-CD1 3.04Å; P145-F227 VanDerWaalsContact O-CG 3.26Å; P145-F227 WeakPolarHBondContact O-CG 3.04Å; I148-F227 HydrophobicContact CG2-CD2 3.63Å; I148-F227 HydrophobicContact CG2-CE2 3.67Å; Y221-F227 HydrophobicContact CD2-CB 4Å; E223-F227 PolarHBondContact O-N 2.91Å; Y224-F227 HydrophobicContact CD2-CD1 4.38Å; Y224-F227 HydrophobicContact CE2-CD1 4.46Å; Y224-F227 PolarHBondContact O-N 2.91Å; F227-A230 PolarHBondContact O-N 3.41Å; F227-M231 HydrophobicContact CD1-CG 4.45Å; F227-M231 HydrophobicContact CD2-CG 4.46Å; F227-M231 HydrophobicContact CE1-CG 4.09Å; F227-M231 HydrophobicContact CE2-CG 4.11Å; F227-M231 HydrophobicContact CZ-CG 3.91Å; F227-M231 WeakPolarHBondContact O-CG 3.39Å; F227-M231 PolarHBondContact O-N 3.31Å; F227-F257 HydrophobicContact CE2-CB 3.94Å; F227-F257 HydrophobicContact CZ-CB 3.8Å
228T96.7Very high95.7Very high25 Ų2539.8 Ų39.815%0.15320%0.197CC..Hα-helixtrans-65.4-43.9179.259.60000111.8W126 Y224 C225 A230 M231 D232W126-T228 HydrophobicContact CZ2-CG2 4.26Å; Y224-T228 HydrophobicContact CD1-CG2 3.81Å; Y224-T228 HydrophobicContact CD2-CG2 4.28Å; Y224-T228 HydrophobicContact CE1-CG2 3.43Å; Y224-T228 VanDerWaalsContact CE1-CG2 3.43Å; Y224-T228 HydrophobicContact CE2-CG2 3.97Å; Y224-T228 HydrophobicContact CG-CG2 4.23Å; Y224-T228 PolarHBondContact O-N 2.86Å; Y224-T228 PolarHBondContact O-OG1 2.93Å; C225-T228 PolarHBondContact O-OG1 2.79Å; T228-A230 VanDerWaalsContact C-N 3.29Å; T228-A230 PolarHBondContact O-N 3.39Å; T228-M231 PolarHBondContact O-N 3.11Å; T228-D232 WeakPolarHBondContact O-CB 3.46Å; T228-D232 PolarHBondContact O-N 2.82Å
229K96.8Very high95.5Very high110 Ų11038.7 Ų38.748%0.47819%0.192SC..Hα-helixtrans-56.2-42.6173.6-78.1169.1-173.3166.80112.1F181 C225 S233F181-K229 HydrophobicContact CB-CB 4.29Å; F181-K229 VanDerWaalsContact O-CD 3.23Å; F181-K229 WeakPolarHBondContact O-CD 3.34Å; C225-K229 VanDerWaalsContact O-CB 3.29Å; C225-K229 WeakPolarHBondContact O-CB 3.35Å; C225-K229 VanDerWaalsContact O-CD 3.22Å; C225-K229 WeakPolarHBondContact O-CD 3.36Å; C225-K229 WeakPolarHBondContact O-CG 3.2Å; C225-K229 PolarHBondContact O-N 2.83Å; K229-S233 WeakPolarHBondContact O-CB 3.39Å; K229-S233 PolarHBondContact O-N 2.99Å; K229-S233 PolarHBondContact O-OG 3.31Å
230A97.1Very high95.4Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-65-49.9176.800000111.4I148 F181 Y221 G226 F227 T228 S233 L234I148-A230 HydrophobicContact CD1-CB 4.13Å; F181-A230 HydrophobicContact CB-CB 3.9Å; F181-A230 HydrophobicContact CD1-CB 4.4Å; F181-A230 HydrophobicContact CD2-CB 3.63Å; F181-A230 HydrophobicContact CE2-CB 4.21Å; F181-A230 HydrophobicContact CG-CB 3.71Å; Y221-A230 HydrophobicContact CE2-CB 3.85Å; Y221-A230 WeakPolarHBondContact OH-CB 3.39Å; G226-A230 WeakPolarHBondContact O-CB 3.12Å; G226-A230 PolarHBondContact O-N 2.7Å; F227-A230 PolarHBondContact O-N 3.41Å; T228-A230 VanDerWaalsContact C-N 3.29Å; T228-A230 PolarHBondContact O-N 3.39Å; A230-S233 PolarHBondContact O-N 3.21Å; A230-L234 HydrophobicContact CB-CD1 4.4Å; A230-L234 VanDerWaalsContact O-CB 3.27Å; A230-L234 WeakPolarHBondContact O-CB 3.05Å; A230-L234 WeakPolarHBondContact O-CD1 3.48Å; A230-L234 WeakPolarHBondContact O-CG 3.31Å; A230-L234 PolarHBondContact O-N 3.5Å
231M96.1Very high95.2Very high0 Ų040.5 Ų40.50%020%0.202CC..Hα-helixtrans-59.7-49179-69.9-64.1-76.400111.8F120 P121 W126 I148 F227 T228 S233 L234 R235 V255F120-M231 HydrophobicContact CE1-CB 4.46Å; F120-M231 HydrophobicContact CE1-CE 3.88Å; F120-M231 VanDerWaalsContact CE1-O 3.32Å; F120-M231 WeakPolarHBondContact CE1-O 3.42Å; F120-M231 HydrophobicContact CZ-CE 4.1Å; F120-M231 WeakPolarHBondContact CZ-O 3.46Å; F120-M231 HydrophobicContact CZ-SD 4.27Å; P121-M231 HydrophobicContact CB-CE 3.96Å; P121-M231 HydrophobicContact CG-CE 4.23Å; W126-M231 HydrophobicContact CE3-CE 3.8Å; W126-M231 HydrophobicContact CH2-CB 3.74Å; W126-M231 HydrophobicContact CH2-CG 4.25Å; W126-M231 HydrophobicContact CZ3-CB 3.89Å; W126-M231 HydrophobicContact CZ3-CE 3.65Å; W126-M231 HydrophobicContact CZ3-CG 4.12Å; I148-M231 HydrophobicContact CG2-CG 4.1Å; I148-M231 HydrophobicContact CG2-SD 3.7Å; F227-M231 HydrophobicContact CD1-CG 4.45Å; F227-M231 HydrophobicContact CD2-CG 4.46Å; F227-M231 HydrophobicContact CE1-CG 4.09Å; F227-M231 HydrophobicContact CE2-CG 4.11Å; F227-M231 HydrophobicContact CZ-CG 3.91Å; F227-M231 WeakPolarHBondContact O-CG 3.39Å; F227-M231 PolarHBondContact O-N 3.31Å; T228-M231 PolarHBondContact O-N 3.11Å; M231-S233 PolarHBondContact O-N 2.82Å; M231-L234 PolarHBondContact O-N 3.15Å; M231-R235 WeakPolarHBondContact O-CB 3.47Å; M231-R235 PolarHBondContact O-N 2.99Å; M231-R235 VanDerWaalsContact O-N 3.12Å; M231-V255 HydrophobicContact SD-CG1 3.97Å
232D95.1Very high95.1Very high96 Ų9643.3 Ų43.351%0.51321%0.214SC..Hα-helixtrans-66-37.5179.7-72.4-38.6000112.6T228 R235T228-D232 WeakPolarHBondContact O-CB 3.46Å; T228-D232 PolarHBondContact O-N 2.82Å; D232-R235 WeakPolarHBondContact O-CB 2.94Å
233S95.3Very high94.7Very high49 Ų4940 Ų4034%0.34321%0.205SC..Hα-helixtrans-75.1-31.9179.7-57.50000113.5K229 A230 M231 R235 M237K229-S233 WeakPolarHBondContact O-CB 3.39Å; K229-S233 PolarHBondContact O-N 2.99Å; K229-S233 PolarHBondContact O-OG 3.31Å; A230-S233 PolarHBondContact O-N 3.21Å; M231-S233 PolarHBondContact O-N 2.82Å; S233-R235 VanDerWaalsContact C-N 3.35Å; S233-M237 WeakPolarHBondContact O-CG 3.48Å
234L95.1Very high94.3Very high3 Ų342.1 Ų42.12%0.01622%0.22CC..Hα-helixtrans-83.2-14.5178.3-64.1165.7000112.1L23 F120 I148 L150 F178 F181 A230 M231 G236 M237 I253 V255L23-L234 HydrophobicContact CD1-CD2 3.99Å; L23-L234 HydrophobicContact CD2-CD2 3.85Å; F120-L234 HydrophobicContact CE2-CB 4.44Å; F120-L234 HydrophobicContact CZ-CB 4.45Å; I148-L234 HydrophobicContact CD1-CD1 4.2Å; L150-L234 HydrophobicContact CD2-CD1 4.41Å; F178-L234 HydrophobicContact CE1-CD1 4.02Å; F181-L234 HydrophobicContact CE2-CD1 4.35Å; F181-L234 HydrophobicContact CE2-CD2 4.46Å; F181-L234 HydrophobicContact CE2-CG 4.41Å; F181-L234 HydrophobicContact CZ-CD2 4.15Å; F181-L234 HydrophobicContact CZ-CG 4.15Å; A230-L234 HydrophobicContact CB-CD1 4.4Å; A230-L234 VanDerWaalsContact O-CB 3.27Å; A230-L234 WeakPolarHBondContact O-CB 3.05Å; A230-L234 WeakPolarHBondContact O-CD1 3.48Å; A230-L234 WeakPolarHBondContact O-CG 3.31Å; A230-L234 PolarHBondContact O-N 3.5Å; M231-L234 PolarHBondContact O-N 3.15Å; L234-G236 PolarHBondContact O-N 3.09Å; L234-G236 VanDerWaalsContact O-N 3.09Å; L234-M237 PolarHBondContact O-N 3Å; L234-I253 HydrophobicContact CD2-CD1 4.26Å; L234-V255 HydrophobicContact CB-CG2 4.21Å; L234-V255 HydrophobicContact CD1-CG1 4Å; L234-V255 HydrophobicContact CD1-CG2 4.25Å
235R92.9Very high93.8Very high124 Ų12443.2 Ų43.247%0.46823%0.231SC..THydrogen-bonded Turntrans-61110.1-175.4-173.7165.9-167.8-165.83.8112.8F120 M231 D232 S233 M237F120-R235 HydrophobicContact CB-CG 4.3Å; F120-R235 HydrophobicContact CD1-CB 3.88Å; F120-R235 HydrophobicContact CD1-CG 3.54Å; F120-R235 HydrophobicContact CD2-CB 4.48Å; F120-R235 HydrophobicContact CD2-CG 4.43Å; F120-R235 HydrophobicContact CE1-CB 3.73Å; F120-R235 HydrophobicContact CE1-CG 3.92Å; F120-R235 HydrophobicContact CE2-CB 4.31Å; F120-R235 HydrophobicContact CG-CB 4.28Å; F120-R235 HydrophobicContact CG-CG 3.84Å; F120-R235 HydrophobicContact CZ-CB 3.96Å; M231-R235 WeakPolarHBondContact O-CB 3.47Å; M231-R235 PolarHBondContact O-N 2.99Å; M231-R235 VanDerWaalsContact O-N 3.12Å; D232-R235 WeakPolarHBondContact O-CB 2.94Å; S233-R235 VanDerWaalsContact C-N 3.35Å; R235-M237 PolarHBondContact O-N 3.17Å
236G90.7Very high93.2Very high21 Ų2144.3 Ų44.322%0.21625%0.251CS..THydrogen-bonded Turntrans68.821.5-178.900000113.7I26 L234I26-G236 WeakPolarHBondContact CB-O 3.31Å; I26-G236 WeakPolarHBondContact CG1-O 3.35Å; I26-G236 PolarHBondContact N-O 2.9Å; L234-G236 PolarHBondContact O-N 3.09Å; L234-G236 VanDerWaalsContact O-N 3.09Å
237M92.7Very high92.9Very high41 Ų4150.1 Ų50.120%0.20228%0.276CS..EExtended strand (participates in β ladder)trans-101.4149.2171.8-64.1-62.7-169.700111.5L23 K24 P25 I26 S233 L234 R235L23-M237 HydrophobicContact CB-CB 4.04Å; L23-M237 HydrophobicContact CB-CG 4.03Å; L23-M237 HydrophobicContact CB-SD 4.32Å; L23-M237 HydrophobicContact CD1-CG 4.46Å; L23-M237 HydrophobicContact CD2-CB 4.15Å; L23-M237 HydrophobicContact CG-CB 4.48Å; K24-M237 VanDerWaalsContact C-SD 3.58Å; K24-M237 WeakPolarHBondContact O-CA 3.38Å; P25-M237 VanDerWaalsContact CA-SD 3.59Å; P25-M237 HydrophobicContact CB-SD 4.28Å; P25-M237 HydrophobicContact CG-CE 4.33Å; P25-M237 HydrophobicContact CG-SD 3.9Å; P25-M237 VanDerWaalsContact N-SD 3.43Å; I26-M237 WeakPolarHBondContact CD1-O 3.35Å; S233-M237 WeakPolarHBondContact O-CG 3.48Å; L234-M237 PolarHBondContact O-N 3Å; R235-M237 PolarHBondContact O-N 3.17Å
238K92.8Very high92.7Very high7 Ų750.4 Ų50.43%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-108140.616454.9-175-176.6-164.40109K24 I26 E81 A250 C251 N252K24-K238 HydrophobicContact CB-CG 4.42Å; K24-K238 PolarHBondContact N-O 2.93Å; K24-K238 VanDerWaalsContact O-CG 3.3Å; K24-K238 WeakPolarHBondContact O-CG 3.26Å; K24-K238 PolarHBondContact O-N 2.89Å; I26-K238 HydrophobicContact CD1-CB 4.16Å; I26-K238 HydrophobicContact CG1-CB 3.8Å; I26-K238 HydrophobicContact CG1-CD 4.26Å; I26-K238 HydrophobicContact CG1-CG 3.95Å; E81-K238 IonicContact OE1-NZ 3.29Å; E81-K238 PolarHBondContact OE1-NZ 2.82Å; K238-A250 HydrophobicContact CD-CB 4.01Å; K238-A250 HydrophobicContact CG-CB 4.22Å; K238-C251 WeakPolarHBondContact CB-O 3.5Å; K238-N252 WeakPolarHBondContact CB-OD1 3.4Å
239L95.3Very high92.5Very high1 Ų151.2 Ų51.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-71.8139.8177.6-17470.1000108.9L15 L21 L23 L153 W157 F158 A250 C251 I253L15-L239 HydrophobicContact CD2-CD1 3.69Å; L21-L239 HydrophobicContact CD2-CD1 4.2Å; L21-L239 HydrophobicContact CD2-CD2 4.31Å; L21-L239 HydrophobicContact CD2-CG 4.18Å; L23-L239 HydrophobicContact CD2-CD1 4.12Å; L153-L239 HydrophobicContact CD2-CD2 4.44Å; W157-L239 HydrophobicContact CE3-CD2 3.73Å; W157-L239 HydrophobicContact CE3-CG 4.01Å; W157-L239 HydrophobicContact CZ3-CB 4.24Å; W157-L239 HydrophobicContact CZ3-CD2 4.01Å; W157-L239 HydrophobicContact CZ3-CG 3.89Å; F158-L239 HydrophobicContact CE2-CD2 3.61Å; F158-L239 HydrophobicContact CZ-CD2 3.7Å; L239-A250 CarbonylContact O-C 3.57Å; L239-A250 WeakPolarHBondContact O-CA 3.26Å; L239-C251 PolarHBondContact N-O 3.21Å; L239-C251 PolarHBondContact O-N 3.32Å; L239-I253 HydrophobicContact CB-CD1 4.36Å; L239-I253 HydrophobicContact CB-CG2 4.12Å
240M95.4Very high92.3Very high0 Ų046 Ų460%026%0.261CS..EExtended strand (participates in β ladder)trans-135.4129.3-178.3-172-175.975.100110.9V6 T9 A12 Y22 K24 K242 A248 V249 A250V6-M240 HydrophobicContact CB-SD 4.26Å; V6-M240 HydrophobicContact CG1-SD 4.02Å; V6-M240 HydrophobicContact CG2-SD 4.28Å; T9-M240 HydrophobicContact CG2-CE 4.03Å; T9-M240 HydrophobicContact CG2-SD 4.11Å; A12-M240 HydrophobicContact CB-CE 3.43Å; A12-M240 VanDerWaalsContact CB-CE 3.43Å; A12-M240 HydrophobicContact CB-SD 4.44Å; Y22-M240 HydrophobicContact CG-CE 4.21Å; Y22-M240 PolarHBondContact N-O 3.49Å; Y22-M240 PolarHBondContact O-N 3.16Å; K24-M240 HydrophobicContact CB-SD 4.38Å; K24-M240 HydrophobicContact CD-SD 4.48Å; M240-K242 HydrophobicContact CE-CD 4.46Å; M240-K242 HydrophobicContact CE-CG 4.08Å; M240-A248 HydrophobicContact CG-CB 4.39Å; M240-A248 HydrophobicContact SD-CB 3.99Å; M240-V249 CarbonylContact C-O 3.5Å; M240-V249 VanDerWaalsContact CA-O 3.3Å; M240-V249 WeakPolarHBondContact CA-O 3.41Å; M240-V249 WeakPolarHBondContact CG-O 3.2Å; M240-A250 HydrophobicContact CB-CB 4.11Å; M240-A250 HydrophobicContact CG-CB 4.11Å
241L94.7Very high92.1Very high38 Ų3846 Ų4620%0.19926%0.261CS..EExtended strand (participates in β ladder)trans-97.9133.5170-17575.5000109H19 N20 L21 W157 A248 V249H19-L241 WeakPolarHBondContact O-CD1 3.37Å; N20-L241 HydrophobicContact CB-CD1 4.17Å; N20-L241 WeakPolarHBondContact O-CA 3.41Å; L21-L241 HydrophobicContact CD2-CB 4.2Å; L21-L241 HydrophobicContact CD2-CD1 3.79Å; L21-L241 HydrophobicContact CG-CD1 4.29Å; W157-L241 HydrophobicContact CD2-CB 3.87Å; W157-L241 HydrophobicContact CD2-CD2 4.36Å; W157-L241 HydrophobicContact CE3-CB 4.05Å; W157-L241 HydrophobicContact CG-CB 4.42Å; W157-L241 HydrophobicContact CG-CD2 4.15Å; W157-L241 HydrophobicContact CH2-CB 4.21Å; W157-L241 HydrophobicContact CZ2-CB 4.02Å; W157-L241 HydrophobicContact CZ3-CB 4.21Å; L241-A248 WeakPolarHBondContact O-CA 3.15Å; L241-V249 HydrophobicContact CB-CG2 4.17Å; L241-V249 PolarHBondContact N-O 3.01Å; L241-V249 PolarHBondContact O-N 3.21Å
242K94.3Very high91.9Very high59 Ų5948.3 Ų48.326%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-95.3118.5163.6-62.3-167.7-172.3-163.40108.5T9 N20 Y22 M240T9-K242 PolarHBondContact OG1-NZ 3.06Å; N20-K242 WeakPolarHBondContact CB-O 3.43Å; N20-K242 PolarHBondContact ND2-O 3.44Å; N20-K242 PolarHBondContact O-N 2.84Å; Y22-K242 HydrophobicContact CD2-CB 4.44Å; Y22-K242 HydrophobicContact CD2-CD 4.09Å; Y22-K242 HydrophobicContact CD2-CG 3.77Å; Y22-K242 HydrophobicContact CE2-CB 4.06Å; Y22-K242 HydrophobicContact CE2-CD 3.71Å; Y22-K242 HydrophobicContact CE2-CG 3.68Å; M240-K242 HydrophobicContact CE-CD 4.46Å; M240-K242 HydrophobicContact CE-CG 4.08Å
243G88.9Confident91.8Very high24 Ų2444.7 Ų44.725%0.24725%0.254CS..PPolyproline II helixtrans-77.1153175.900000111.9D245 G246 K247G243-D245 PolarHBondContact O-N 2.82Å; G243-D245 VanDerWaalsContact O-N 3.15Å; G243-G246 PolarHBondContact O-N 3.22Å; G243-K247 PolarHBondContact N-O 3.05Å
244D85.2Confident91.8Very high157 Ų15746.7 Ų46.784%0.8426%0.256SS*.THydrogen-bonded Turntrans-66.3-12.9176.4-48.8-53.5000112.4N20 G246N20-D244 PolarHBondContact ND2-OD1 3.31Å; D244-G246 PolarHBondContact O-N 3.03Å
245D84.8Confident91.8Very high102 Ų10246.9 Ų46.955%0.54526%0.257SS..THydrogen-bonded Turntrans-859.3171.773.6-19.9000113.7G243 K247G243-D245 PolarHBondContact O-N 2.82Å; G243-D245 VanDerWaalsContact O-N 3.15Å; D245-K247 PolarHBondContact O-N 3.44Å; D245-K247 WeakPolarHBondContact OD1-CB 3.37Å; D245-K247 PolarHBondContact OD1-N 2.81Å; D245-K247 VanDerWaalsContact OD1-N 3.09Å; D245-K247 WeakPolarHBondContact OD2-CD 3.38Å; D245-K247 WeakPolarHBondContact OD2-CG 3.38Å; D245-K247 IonicContact OD2-NZ 2.79Å; D245-K247 PolarHBondContact OD2-NZ 3.47Å
246G82.9Confident91.9Very high72 Ų7243.4 Ų43.474%0.74225%0.248SC*.SBendtrans77-2.4-179.500000115G243 D244G243-G246 PolarHBondContact O-N 3.22Å; D244-G246 PolarHBondContact O-N 3.03Å
247K90.8Very high92.1Very high123 Ų12343.5 Ų43.554%0.53524%0.242SC..  trans-83.8138.2179.2-59.6-172.2-16970.50110.8G243 D245G243-K247 PolarHBondContact N-O 3.05Å; D245-K247 PolarHBondContact O-N 3.44Å; D245-K247 WeakPolarHBondContact OD1-CB 3.37Å; D245-K247 PolarHBondContact OD1-N 2.81Å; D245-K247 VanDerWaalsContact OD1-N 3.09Å; D245-K247 WeakPolarHBondContact OD2-CD 3.38Å; D245-K247 WeakPolarHBondContact OD2-CG 3.38Å; D245-K247 IonicContact OD2-NZ 2.79Å; D245-K247 PolarHBondContact OD2-NZ 3.47Å
248A93Very high92.2Very high7 Ų742 Ų426%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-101.7138.2170.100000110.9V6 T9 M240 L241V6-A248 HydrophobicContact CB-CB 4.01Å; V6-A248 HydrophobicContact CG1-CB 4.48Å; V6-A248 PolarHBondContact N-O 3.36Å; T9-A248 HydrophobicContact CG2-CB 3.44Å; T9-A248 VanDerWaalsContact CG2-CB 3.44Å; M240-A248 HydrophobicContact CG-CB 4.39Å; M240-A248 HydrophobicContact SD-CB 3.99Å; L241-A248 WeakPolarHBondContact O-CA 3.15Å
249V93.3Very high92.2Very high41 Ų4145.2 Ų45.225%0.24826%0.255CS..EExtended strand (participates in β ladder)trans-132.4135.1174.3-73.30000110.2A3 T4 I5 W157 M240 L241A3-V249 HydrophobicContact CB-CB 4.48Å; T4-V249 CarbonylContact O-C 3.54Å; T4-V249 VanDerWaalsContact O-CA 3.22Å; T4-V249 WeakPolarHBondContact O-CA 3.44Å; I5-V249 HydrophobicContact CG1-CG1 4.36Å; W157-V249 HydrophobicContact CH2-CG2 4.37Å; W157-V249 VanDerWaalsContact CH2-O 3.25Å; W157-V249 WeakPolarHBondContact CH2-O 3.48Å; W157-V249 HydrophobicContact CZ2-CB 4.28Å; W157-V249 HydrophobicContact CZ2-CG2 3.66Å; M240-V249 CarbonylContact C-O 3.5Å; M240-V249 VanDerWaalsContact CA-O 3.3Å; M240-V249 WeakPolarHBondContact CA-O 3.41Å; M240-V249 WeakPolarHBondContact CG-O 3.2Å; L241-V249 HydrophobicContact CB-CG2 4.17Å; L241-V249 PolarHBondContact N-O 3.01Å; L241-V249 PolarHBondContact O-N 3.21Å
250A93Very high92.1Very high1 Ų148.2 Ų48.21%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-118.9146.7-179.600000112.3A3 T4 V6 K238 L239 M240A3-A250 CarbonylContact C-O 3.57Å; A3-A250 WeakPolarHBondContact CA-O 3.07Å; T4-A250 PolarHBondContact N-O 2.93Å; T4-A250 PolarHBondContact O-N 3.09Å; T4-A250 PolarHBondContact OG1-O 2.77Å; V6-A250 HydrophobicContact CG2-CB 3.56Å; K238-A250 HydrophobicContact CD-CB 4.01Å; K238-A250 HydrophobicContact CG-CB 4.22Å; L239-A250 CarbonylContact O-C 3.57Å; L239-A250 WeakPolarHBondContact O-CA 3.26Å; M240-A250 HydrophobicContact CB-CB 4.11Å; M240-A250 HydrophobicContact CG-CB 4.11Å
251C92Very high92Very high1 Ų150 Ų501%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-127.3136.6170.466.40000110.1A3 P154 W157 K238 L239A3-C251 HydrophobicContact CB-CB 4.47Å; P154-C251 WeakPolarHBondContact CD-SG 3.3Å; P154-C251 HydrophobicContact CG-CB 3.98Å; P154-C251 WeakPolarHBondContact CG-SG 3.49Å; W157-C251 HydrophobicContact CH2-CB 4.02Å; W157-C251 HydrophobicContact CZ3-CB 4.31Å; W157-C251 WeakPolarHBondContact CZ3-SG 3.37Å; K238-C251 WeakPolarHBondContact CB-O 3.5Å; L239-C251 PolarHBondContact N-O 3.21Å; L239-C251 PolarHBondContact O-N 3.32Å
252N91.6Very high91.9Very high48 Ų4849.1 Ų49.126%0.25728%0.279SS..  trans-66.4139165-61.7-43.4000108.6M1 K238M1-N252 HydrophobicContact SD-CB 4.03Å; K238-N252 WeakPolarHBondContact CB-OD1 3.4Å
253I93.3Very high92Very high20 Ų2046.4 Ų46.410%0.10327%0.267CS..  trans-124.3149.4173.660.2170000107.4L153 L234 L239 V255L153-I253 HydrophobicContact CD2-CG2 4.09Å; L234-I253 HydrophobicContact CD2-CD1 4.26Å; L239-I253 HydrophobicContact CB-CD1 4.36Å; L239-I253 HydrophobicContact CB-CG2 4.12Å; I253-V255 HydrophobicContact CD1-CG2 3.96Å; I253-V255 HydrophobicContact CG1-CG2 4.15Å
254K94.4Very high92.3Very high90 Ų9045.4 Ų45.439%0.39126%0.256SS..EExtended strand (participates in β ladder)trans-103.2135.3170.6164.4-179.1162.1-147.20108M1 E151M1-K254 HydrophobicContact CE-CB 4.37Å; E151-K254 HydrophobicContact CB-CB 4.11Å; E151-K254 HydrophobicContact CB-CG 4.45Å; E151-K254 PolarHBondContact N-O 3.14Å; E151-K254 PolarHBondContact O-N 3.11Å; E151-K254 VanDerWaalsContact OE1-CE 3.3Å; E151-K254 WeakPolarHBondContact OE1-CE 3.46Å; E151-K254 IonicContact OE1-NZ 3.71Å; E151-K254 PolarHBondContact OE1-NZ 2.96Å; E151-K254 WeakPolarHBondContact OE2-CD 3.28Å; E151-K254 WeakPolarHBondContact OE2-CE 3.09Å; E151-K254 IonicContact OE2-NZ 3.58Å; E151-K254 PolarHBondContact OE2-NZ 2.72Å
255V95.4Very high92.7Very high8 Ų840.6 Ų40.65%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-130.8125.9-176.9-175.70000107.6F120 L150 M231 L234 I253F120-V255 HydrophobicContact CE2-CB 3.82Å; F120-V255 HydrophobicContact CE2-CG1 4.28Å; F120-V255 HydrophobicContact CE2-CG2 4.47Å; F120-V255 HydrophobicContact CZ-CB 4.36Å; F120-V255 HydrophobicContact CZ-CG1 4.33Å; L150-V255 HydrophobicContact CD2-CB 4.22Å; L150-V255 HydrophobicContact CD2-CG1 3.88Å; L150-V255 HydrophobicContact CD2-CG2 3.7Å; M231-V255 HydrophobicContact SD-CG1 3.97Å; L234-V255 HydrophobicContact CB-CG2 4.21Å; L234-V255 HydrophobicContact CD1-CG1 4Å; L234-V255 HydrophobicContact CD1-CG2 4.25Å; I253-V255 HydrophobicContact CD1-CG2 3.96Å; I253-V255 HydrophobicContact CG1-CG2 4.15Å
256I96.1Very high93.1Very high51 Ų5140.4 Ų40.426%0.26223%0.233SC..EExtended strand (participates in β ladder)trans-136.9164.4174.460.7179.8000109.3P121 I148 H149P121-I256 HydrophobicContact CG-CG2 4.26Å; I148-I256 WeakPolarHBondContact CA-O 3.09Å; H149-I256 HydrophobicContact CB-CG1 3.98Å; H149-I256 PolarHBondContact N-O 3.24Å; H149-I256 PolarHBondContact O-N 2.95Å
257F95.3Very high93.6Very high23 Ų2338.7 Ų38.710%0.10121%0.209CC..EExtended strand (participates in β ladder)trans-79.1150.7166.960.7-88.7000109.9P121 W126 F129 F130 F227 T259P121-F257 HydrophobicContact CB-CD1 3.89Å; P121-F257 HydrophobicContact CB-CE1 3.91Å; P121-F257 HydrophobicContact CG-CD1 4.12Å; P121-F257 HydrophobicContact CG-CE1 4.24Å; W126-F257 HydrophobicContact CB-CB 4.48Å; W126-F257 HydrophobicContact CB-CD1 3.66Å; W126-F257 HydrophobicContact CB-CD2 4.17Å; W126-F257 HydrophobicContact CB-CE1 3.78Å; W126-F257 HydrophobicContact CB-CE2 4.27Å; W126-F257 HydrophobicContact CB-CG 3.86Å; W126-F257 HydrophobicContact CB-CZ 4.08Å; F129-F257 HydrophobicContact CB-CE2 3.83Å; F129-F257 HydrophobicContact CB-CZ 3.97Å; F129-F257 HydrophobicContact CD1-CD2 4.29Å; F129-F257 AromaticContact CD1-CE2 3.57Å; F129-F257 HydrophobicContact CD1-CE2 3.57Å; F129-F257 HydrophobicContact CD2-CE2 4.36Å; F129-F257 HydrophobicContact CE1-CE2 4.23Å; F129-F257 AromaticContact CG-CE2 3.65Å; F129-F257 HydrophobicContact CG-CE2 3.65Å; F129-F257 HydrophobicContact CG-CZ 4.19Å; F130-F257 AromaticContact CE2-CD2 3.76Å; F130-F257 HydrophobicContact CE2-CD2 3.76Å; F130-F257 HydrophobicContact CE2-CE2 4.32Å; F130-F257 HydrophobicContact CE2-CG 4.47Å; F130-F257 HydrophobicContact CZ-CD2 4.09Å; F227-F257 HydrophobicContact CE2-CB 3.94Å; F227-F257 HydrophobicContact CZ-CB 3.8Å; F257-T259 HydrophobicContact CD2-CG2 3.9Å; F257-T259 HydrophobicContact CE2-CG2 3.55Å; F257-T259 HydrophobicContact CZ-CG2 4.38Å
258D95Very high93.7Very high8 Ų834.4 Ų34.44%0.04319%0.192CC..  trans-73.1127.5177.2-17824.2000111.2F130 T147 Y218 S260 K261 H262F130-D258 WeakPolarHBondContact CZ-O 3.44Å; T147-D258 HydrophobicContact CG2-CB 3.69Å; T147-D258 PolarHBondContact O-N 2.88Å; Y218-D258 HydrophobicContact CD1-CB 4.38Å; Y218-D258 HydrophobicContact CE1-CB 4.47Å; D258-S260 WeakPolarHBondContact OD1-CA 3.19Å; D258-S260 WeakPolarHBondContact OD1-CB 3.22Å; D258-S260 PolarHBondContact OD1-N 2.85Å; D258-S260 PolarHBondContact OD1-OG 3.3Å; D258-K261 PolarHBondContact OD2-N 3.32Å; D258-H262 WeakPolarHBondContact OD2-CB 3.44Å; D258-H262 PolarHBondContact OD2-N 3.5Å
259T92.7Very high93.8Very high75 Ų7540.1 Ų40.146%0.4622%0.216SC..SBendtrans-107.8-0.3175.155.90000112.7F129 M136 F257F129-T259 HydrophobicContact CD1-CG2 4.37Å; F129-T259 HydrophobicContact CD2-CG2 4.36Å; F129-T259 HydrophobicContact CE1-CG2 3.87Å; F129-T259 HydrophobicContact CE2-CG2 3.86Å; F129-T259 HydrophobicContact CZ-CG2 3.6Å; M136-T259 VanDerWaalsContact CE-O 3.25Å; M136-T259 WeakPolarHBondContact CE-O 3.45Å; F257-T259 HydrophobicContact CD2-CG2 3.9Å; F257-T259 HydrophobicContact CE2-CG2 3.55Å; F257-T259 HydrophobicContact CZ-CG2 4.38Å
260S91.4Very high93.7Very high65 Ų6545 Ų4546%0.45523%0.23SC..SBendtrans-111-3.4-167.672.90000115D258 H262D258-S260 WeakPolarHBondContact OD1-CA 3.19Å; D258-S260 WeakPolarHBondContact OD1-CB 3.22Å; D258-S260 PolarHBondContact OD1-N 2.85Å; D258-S260 PolarHBondContact OD1-OG 3.3Å; S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 3.24Å
261K93.6Very high93.7Very high37 Ų3746.1 Ų46.116%0.16123%0.234CC..  trans60.733.7-176.7-47.5175-169.61660113D135 M136 G142 E143 D258 L263 S264 S267D135-K261 WeakPolarHBondContact O-CE 3.21Å; D135-K261 PolarHBondContact O-NZ 2.72Å; D135-K261 VanDerWaalsContact OD2-CE 3.26Å; D135-K261 WeakPolarHBondContact OD2-CE 3.49Å; D135-K261 IonicContact OD2-NZ 2.7Å; D135-K261 PolarHBondContact OD2-NZ 2.93Å; M136-K261 HydrophobicContact CE-CD 4.22Å; M136-K261 HydrophobicContact CE-CG 3.57Å; M136-K261 HydrophobicContact SD-CD 4.07Å; M136-K261 WeakPolarHBondContact SD-CE 3.43Å; M136-K261 HydrophobicContact SD-CG 3.67Å; G142-K261 WeakPolarHBondContact O-CA 3.3Å; E143-K261 HydrophobicContact CG-CB 4.43Å; E143-K261 HydrophobicContact CG-CD 3.95Å; E143-K261 HydrophobicContact CG-CG 4.06Å; D258-K261 PolarHBondContact OD2-N 3.32Å; K261-L263 VanDerWaalsContact C-N 3.26Å; K261-L263 PolarHBondContact O-N 2.84Å; K261-S264 WeakPolarHBondContact O-CB 3.45Å; K261-S264 PolarHBondContact O-N 3.11Å; K261-S264 VanDerWaalsContact O-N 3.07Å; K261-S264 PolarHBondContact O-OG 3.08Å; K261-S267 WeakPolarHBondContact O-CB 3.33Å; K261-S267 PolarHBondContact O-OG 3.41Å
262H93.6Very high93.7Very high20 Ų2049.2 Ų49.29%0.09325%0.25CC..THydrogen-bonded Turntrans-61.6-34.1-172.1-173.9106.5000113.2D188 R196 Y218 D258 S260 R271D188-H262 IonicContact OD2-CD2 2.73Å; D188-H262 IonicContact OD2-CE1 3.65Å; D188-H262 IonicContact OD2-NE2 3.47Å; D188-H262 PolarHBondContact OD2-NE2 2.98Å; R196-H262 PolarHBondContact NH2-CE1 3.36Å; R196-H262 PolarHBondContact NH2-ND1 2.9Å; R196-H262 PolarHBondContact NH2-NE2 3.43Å; Y218-H262 HydrophobicContact CD1-CB 3.56Å; Y218-H262 AromaticContact CD1-CD2 3.67Å; Y218-H262 AromaticContact CD1-CG 3.62Å; Y218-H262 AromaticContact CD2-CD2 3.51Å; Y218-H262 AromaticContact CD2-CE1 3.4Å; Y218-H262 VanDerWaalsContact CD2-CE1 3.4Å; Y218-H262 WeakPolarHBondContact CD2-CE1 3.32Å; Y218-H262 AromaticContact CD2-CG 3.94Å; Y218-H262 AromaticContact CD2-ND1 3.96Å; Y218-H262 AromaticContact CD2-NE2 3.18Å; Y218-H262 WeakPolarHBondContact CD2-NE2 3.11Å; Y218-H262 HydrophobicContact CE1-CB 3.54Å; Y218-H262 AromaticContact CE1-CG 3.64Å; Y218-H262 AromaticContact CE1-ND1 3.81Å; Y218-H262 AromaticContact CE2-CD2 4Å; Y218-H262 AromaticContact CE2-CE1 3.21Å; Y218-H262 WeakPolarHBondContact CE2-CE1 3.35Å; Y218-H262 AromaticContact CE2-CG 4Å; Y218-H262 AromaticContact CE2-ND1 3.62Å; Y218-H262 AromaticContact CE2-NE2 3.55Å; Y218-H262 HydrophobicContact CG-CB 4.2Å; Y218-H262 AromaticContact CG-CD2 3.35Å; Y218-H262 AromaticContact CG-CG 3.77Å; Y218-H262 AromaticContact CG-NE2 3.56Å; Y218-H262 AromaticContact CZ-CE1 3.65Å; Y218-H262 AromaticContact CZ-CG 3.84Å; Y218-H262 AromaticContact CZ-ND1 3.53Å; D258-H262 WeakPolarHBondContact OD2-CB 3.44Å; D258-H262 PolarHBondContact OD2-N 3.5Å; S260-H262 VanDerWaalsContact C-N 3.28Å; S260-H262 PolarHBondContact O-N 3.24Å; H262-R271 PolarHBondContact O-NH2 3.14Å
263L95.6Very high93.7Very high2 Ų252.5 Ų52.51%0.0126%0.264CS..THydrogen-bonded Turntrans-106.418.2175.9-64.3-174.7000113.7T147 H186 D188 Q220 K261 I268T147-L263 HydrophobicContact CG2-CB 4.26Å; T147-L263 HydrophobicContact CG2-CD1 3.95Å; T147-L263 HydrophobicContact CG2-CG 4.27Å; H186-L263 HydrophobicContact CB-CD1 4.26Å; H186-L263 HydrophobicContact CB-CD2 4.34Å; D188-L263 HydrophobicContact CB-CD2 3.65Å; Q220-L263 HydrophobicContact CB-CB 4.19Å; Q220-L263 HydrophobicContact CB-CD1 3.57Å; Q220-L263 PolarHBondContact NE2-O 3.45Å; K261-L263 VanDerWaalsContact C-N 3.26Å; K261-L263 PolarHBondContact O-N 2.84Å; L263-I268 HydrophobicContact CB-CD1 4.46Å; L263-I268 HydrophobicContact CD2-CD1 4.25Å; L263-I268 WeakPolarHBondContact O-CD1 3.48Å
264S94.9Very high93.5Very high2 Ų253.8 Ų53.81%0.01427%0.269CS..SBendtrans-67.3148.5165.966.50000110.9P141 K261 V266 S267 I268P141-S264 WeakPolarHBondContact O-CA 3.23Å; K261-S264 WeakPolarHBondContact O-CB 3.45Å; K261-S264 PolarHBondContact O-N 3.11Å; K261-S264 VanDerWaalsContact O-N 3.07Å; K261-S264 PolarHBondContact O-OG 3.08Å; S264-V266 PolarHBondContact O-N 3.47Å; S264-V266 VanDerWaalsContact O-N 3.11Å; S264-S267 PolarHBondContact O-N 3.38Å; S264-S267 WeakPolarHBondContact OG-CB 3.2Å; S264-S267 PolarHBondContact OG-N 3.37Å; S264-S267 VanDerWaalsContact OG-N 3.14Å; S264-S267 PolarHBondContact OG-OG 3.48Å; S264-I268 WeakPolarHBondContact O-CG1 3.32Å; S264-I268 PolarHBondContact O-N 2.97Å
265D93.9Very high93.3Very high57 Ų5752 Ų5231%0.30526%0.26SS..Hα-helixtrans-59.2-25.4177.1-73.8-30.8000112R185 K269R185-D265 IonicContact CZ-OD1 3.97Å; R185-D265 IonicContact NH2-OD1 2.74Å; R185-D265 PolarHBondContact NH2-OD1 3.42Å; R185-D265 IonicContact NH2-OD2 2.87Å; R185-D265 PolarHBondContact NH2-OD2 3.15Å; D265-K269 VanDerWaalsContact O-CB 3.3Å; D265-K269 WeakPolarHBondContact O-CB 3.46Å; D265-K269 WeakPolarHBondContact O-CD 3.48Å; D265-K269 WeakPolarHBondContact O-CG 3.42Å; D265-K269 PolarHBondContact O-N 3.41Å
266V93.3Very high93.1Very high98 Ų9856.4 Ų56.459%0.59428%0.283SS*.Hα-helixtrans-73.1-52.5175.2-178.50000111.1S264 I268 K269 R270S264-V266 PolarHBondContact O-N 3.47Å; S264-V266 VanDerWaalsContact O-N 3.11Å; V266-I268 VanDerWaalsContact C-N 3.34Å; V266-I268 PolarHBondContact O-N 3.39Å; V266-K269 PolarHBondContact O-N 3.12Å; V266-R270 WeakPolarHBondContact O-CB 3.39Å; V266-R270 PolarHBondContact O-N 3.1Å
267S93.1Very high92.9Very high35 Ų3559.8 Ų59.825%0.24530%0.296CS..Hα-helixtrans-62.4-39.8178.9-690000112.4K261 S264 R270 R271K261-S267 WeakPolarHBondContact O-CB 3.33Å; K261-S267 PolarHBondContact O-OG 3.41Å; S264-S267 PolarHBondContact O-N 3.38Å; S264-S267 WeakPolarHBondContact OG-CB 3.2Å; S264-S267 PolarHBondContact OG-N 3.37Å; S264-S267 VanDerWaalsContact OG-N 3.14Å; S264-S267 PolarHBondContact OG-OG 3.48Å; S267-R270 PolarHBondContact O-N 2.77Å; S267-R271 WeakPolarHBondContact O-CG 3.26Å; S267-R271 PolarHBondContact O-N 2.59Å
268I93.7Very high92.6Very high33 Ų3360.6 Ų60.617%0.16930%0.301CS..Hα-helixtrans-63.5-47.5175.9-66.2168.4000110.4L263 S264 V266 R270 R271 N272L263-I268 HydrophobicContact CB-CD1 4.46Å; L263-I268 HydrophobicContact CD2-CD1 4.25Å; L263-I268 WeakPolarHBondContact O-CD1 3.48Å; S264-I268 WeakPolarHBondContact O-CG1 3.32Å; S264-I268 PolarHBondContact O-N 2.97Å; V266-I268 VanDerWaalsContact C-N 3.34Å; V266-I268 PolarHBondContact O-N 3.39Å; I268-R270 PolarHBondContact O-N 2.93Å; I268-R271 PolarHBondContact O-N 3.28Å; I268-N272 WeakPolarHBondContact O-CB 3.3Å; I268-N272 PolarHBondContact O-N 2.9Å; I268-N272 PolarHBondContact O-ND2 3.36Å
269K94.4Very high92.3Very high128 Ų12864 Ų6456%0.55732%0.316SS*.Hα-helixtrans-61.5-43.7177.1-75.8167.1-167.7165.10111.9D265 V266 N272 Q273D265-K269 VanDerWaalsContact O-CB 3.3Å; D265-K269 WeakPolarHBondContact O-CB 3.46Å; D265-K269 WeakPolarHBondContact O-CD 3.48Å; D265-K269 WeakPolarHBondContact O-CG 3.42Å; D265-K269 PolarHBondContact O-N 3.41Å; V266-K269 PolarHBondContact O-N 3.12Å; K269-N272 PolarHBondContact O-N 2.74Å; K269-Q273 WeakPolarHBondContact O-CB 3.41Å; K269-Q273 WeakPolarHBondContact O-CG 3.45Å; K269-Q273 PolarHBondContact O-N 2.95Å
270R92.3Very high92.2Very high144 Ų14466.1 Ų66.154%0.54332%0.321SS..Hα-helixtrans-58.4-54.4177.2180179.3170.2-162.4-12.2111.3V266 S267 I268 N272 Q273 E274V266-R270 WeakPolarHBondContact O-CB 3.39Å; V266-R270 PolarHBondContact O-N 3.1Å; S267-R270 PolarHBondContact O-N 2.77Å; I268-R270 PolarHBondContact O-N 2.93Å; R270-N272 VanDerWaalsContact C-N 3.3Å; R270-N272 PolarHBondContact O-N 2.97Å; R270-Q273 PolarHBondContact O-N 3.25Å; R270-Q273 VanDerWaalsContact O-N 3.14Å; R270-E274 IonicContact CZ-OE1 3.56Å; R270-E274 VanDerWaalsContact CZ-OE1 3.28Å; R270-E274 IonicContact NE-OE1 2.8Å; R270-E274 PolarHBondContact NE-OE1 2.68Å; R270-E274 IonicContact NE-OE2 2.7Å; R270-E274 IonicContact NH2-OE1 2.66Å; R270-E274 PolarHBondContact NH2-OE1 3.03Å; R270-E274 WeakPolarHBondContact O-CG 3.29Å; R270-E274 PolarHBondContact O-N 3.03Å
271R92.1Very high92.1Very high24 Ų2468.3 Ų68.39%0.09133%0.327CS..Hα-helixtrans-59-40.6179-69.7-173.4-67.9119.8-16.6112D188 M199 H262 S267 I268 E274 R275D188-R271 IonicContact OD1-CZ 3.56Å; D188-R271 VanDerWaalsContact OD1-CZ 3.29Å; D188-R271 IonicContact OD1-NH1 3.45Å; D188-R271 PolarHBondContact OD1-NH1 3.22Å; D188-R271 IonicContact OD1-NH2 3.55Å; D188-R271 PolarHBondContact OD1-NH2 3.25Å; D188-R271 IonicContact OD2-NH1 2.85Å; M199-R271 VanDerWaalsContact CE-O 3.26Å; M199-R271 WeakPolarHBondContact CE-O 3.32Å; M199-R271 HydrophobicContact SD-CB 4.21Å; M199-R271 HydrophobicContact SD-CG 4.3Å; H262-R271 PolarHBondContact O-NH2 3.14Å; S267-R271 WeakPolarHBondContact O-CG 3.26Å; S267-R271 PolarHBondContact O-N 2.59Å; I268-R271 PolarHBondContact O-N 3.28Å; R271-E274 PolarHBondContact O-N 3.1Å; R271-R275 WeakPolarHBondContact O-CB 3.22Å; R271-R275 PolarHBondContact O-N 2.7Å
272N91.9Very high91.9Very high65 Ų6571.5 Ų71.535%0.34834%0.343SS..Hα-helixtrans-66.1-39.2176.8-70.6-17000112.7I268 K269 R270 R275 L276I268-N272 WeakPolarHBondContact O-CB 3.3Å; I268-N272 PolarHBondContact O-N 2.9Å; I268-N272 PolarHBondContact O-ND2 3.36Å; K269-N272 PolarHBondContact O-N 2.74Å; R270-N272 VanDerWaalsContact C-N 3.3Å; R270-N272 PolarHBondContact O-N 2.97Å; N272-R275 PolarHBondContact O-N 2.93Å; N272-R275 PolarHBondContact OD1-NH1 2.64Å; N272-L276 WeakPolarHBondContact O-CG 3.34Å; N272-L276 PolarHBondContact O-N 3.18Å; N272-L276 VanDerWaalsContact O-N 3.09Å
273Q92.3Very high91.7Very high118 Ų11877.6 Ų77.655%0.55137%0.365SS*.Hα-helixtrans-68.5-39.1175.1-73.5175.61.300112.6K269 R270 R275 K277K269-Q273 WeakPolarHBondContact O-CB 3.41Å; K269-Q273 WeakPolarHBondContact O-CG 3.45Å; K269-Q273 PolarHBondContact O-N 2.95Å; R270-Q273 PolarHBondContact O-N 3.25Å; R270-Q273 VanDerWaalsContact O-N 3.14Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; Q273-K277 WeakPolarHBondContact O-CG 3.3Å; Q273-K277 PolarHBondContact O-N 3.36Å
274E89.2Confident91.4Very high46 Ų4678.5 Ų78.522%0.21537%0.374CS..Hα-helixtrans-64.8-39.6173.8-71.7167.4167.600110.7M199 R270 R271 K277 L278M199-E274 HydrophobicContact CE-CB 4.23Å; M199-E274 HydrophobicContact CG-CB 4.09Å; R270-E274 IonicContact CZ-OE1 3.56Å; R270-E274 VanDerWaalsContact CZ-OE1 3.28Å; R270-E274 IonicContact NE-OE1 2.8Å; R270-E274 PolarHBondContact NE-OE1 2.68Å; R270-E274 IonicContact NE-OE2 2.7Å; R270-E274 IonicContact NH2-OE1 2.66Å; R270-E274 PolarHBondContact NH2-OE1 3.03Å; R270-E274 WeakPolarHBondContact O-CG 3.29Å; R270-E274 PolarHBondContact O-N 3.03Å; R271-E274 PolarHBondContact O-N 3.1Å; E274-K277 PolarHBondContact O-N 3.43Å; E274-L278 WeakPolarHBondContact O-CG 3.36Å; E274-L278 PolarHBondContact O-N 3.29Å
275R90.7Very high91.2Very high54 Ų5484.4 Ų84.420%0.20440%0.403CS..Hα-helixtrans-63-44176.8-156-176.5-62.3106.73112.5D193 Y195 M199 R271 N272 Q273 L278 Q279D193-R275 VanDerWaalsContact CG-NE 3.34Å; D193-R275 IonicContact OD1-CZ 2.66Å; D193-R275 IonicContact OD1-NE 2.79Å; D193-R275 PolarHBondContact OD1-NE 3.46Å; D193-R275 IonicContact OD1-NH2 2.76Å; D193-R275 IonicContact OD2-CZ 3.91Å; D193-R275 IonicContact OD2-NE 3.78Å; D193-R275 PolarHBondContact OD2-NE 3.47Å; D193-R275 IonicContact OD2-NH2 3.05Å; D193-R275 PolarHBondContact OD2-NH2 2.92Å; Y195-R275 HydrophobicContact CD2-CG 3.51Å; Y195-R275 HydrophobicContact CE2-CG 4.16Å; Y195-R275 HydrophobicContact CG-CG 3.99Å; M199-R275 HydrophobicContact CE-CB 3.57Å; M199-R275 HydrophobicContact CE-CG 4.03Å; R271-R275 WeakPolarHBondContact O-CB 3.22Å; R271-R275 PolarHBondContact O-N 2.7Å; N272-R275 PolarHBondContact O-N 2.93Å; N272-R275 PolarHBondContact OD1-NH1 2.64Å; Q273-R275 VanDerWaalsContact C-N 3.34Å; R275-L278 PolarHBondContact O-N 2.82Å; R275-Q279 WeakPolarHBondContact O-CB 3.38Å; R275-Q279 VanDerWaalsContact O-CG 3.31Å; R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 3.11Å
276L91.4Very high91Very high99 Ų9984.4 Ų84.452%0.51841%0.411SS..Hα-helixtrans-61.7-44.3177.6-72.5168.2000111.4N272 L278 Q279 E280N272-L276 WeakPolarHBondContact O-CG 3.34Å; N272-L276 PolarHBondContact O-N 3.18Å; N272-L276 VanDerWaalsContact O-N 3.09Å; L276-L278 PolarHBondContact O-N 2.66Å; L276-Q279 PolarHBondContact O-N 3.4Å; L276-E280 WeakPolarHBondContact O-CB 3.38Å; L276-E280 WeakPolarHBondContact O-CG 3.47Å; L276-E280 PolarHBondContact O-N 2.89Å
277K91.8Very high90.9Very high122 Ų12284 Ų8453%0.5340%0.403SS..Hα-helixtrans-60.9-41.9176.2-70.2167.9-176.7174.10112.6Q273 E274 E280 L281Q273-K277 WeakPolarHBondContact O-CG 3.3Å; Q273-K277 PolarHBondContact O-N 3.36Å; E274-K277 PolarHBondContact O-N 3.43Å; K277-E280 PolarHBondContact O-N 3.4Å; K277-L281 WeakPolarHBondContact O-CB 3.36Å; K277-L281 VanDerWaalsContact O-CG 3.29Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.08Å
278L88.4Confident90.7Very high41 Ų4187.2 Ų87.222%0.21542%0.416CS..Hα-helixtrans-67.9-39.3177.8-68.5168.3000111.5Y195 E198 M199 E274 R275 L276 L281 E282Y195-L278 HydrophobicContact CD1-CB 3.7Å; Y195-L278 HydrophobicContact CD1-CD1 4.13Å; Y195-L278 HydrophobicContact CE1-CB 4.14Å; Y195-L278 HydrophobicContact CG-CB 4.46Å; Y195-L278 HydrophobicContact CG-CD1 4.43Å; E198-L278 HydrophobicContact CB-CD1 3.95Å; M199-L278 HydrophobicContact CG-CD1 4.46Å; E274-L278 WeakPolarHBondContact O-CG 3.36Å; E274-L278 PolarHBondContact O-N 3.29Å; R275-L278 PolarHBondContact O-N 2.82Å; L276-L278 PolarHBondContact O-N 2.66Å; L278-L281 PolarHBondContact O-N 3.06Å; L278-E282 WeakPolarHBondContact O-CB 3.44Å; L278-E282 PolarHBondContact O-N 2.9Å
279Q89.2Confident90.5Very high79 Ų7993.3 Ų93.337%0.36944%0.442SS..Hα-helixtrans-64.7-39.1173.5-73.2172.6-2.200112.7Y195 R275 L276 R283Y195-Q279 HydrophobicContact CE1-CG 4.29Å; Y195-Q279 HydrophobicContact CE2-CG 3.95Å; R275-Q279 WeakPolarHBondContact O-CB 3.38Å; R275-Q279 VanDerWaalsContact O-CG 3.31Å; R275-Q279 WeakPolarHBondContact O-CG 3.43Å; R275-Q279 PolarHBondContact O-N 3.11Å; L276-Q279 PolarHBondContact O-N 3.4Å; Q279-R283 WeakPolarHBondContact O-CB 3.48Å; Q279-R283 PolarHBondContact O-N 2.73Å
280E90.6Very high90.2Very high120 Ų12092.8 Ų92.856%0.56144%0.441SS*.Hα-helixtrans-65.3-41.6174.2-74.5170.9172.600111.9L276 K277 R283 G284L276-E280 WeakPolarHBondContact O-CB 3.38Å; L276-E280 WeakPolarHBondContact O-CG 3.47Å; L276-E280 PolarHBondContact O-N 2.89Å; K277-E280 PolarHBondContact O-N 3.4Å; E280-R283 PolarHBondContact O-N 3.2Å; E280-G284 PolarHBondContact O-N 3.13Å
281L89.1Confident90.1Very high110 Ų11091.9 Ų91.958%0.57644%0.443SS*.Hα-helixtrans-67.1-42.1174.9-72.2170000112.3K277 L278 G284 M285K277-L281 WeakPolarHBondContact O-CB 3.36Å; K277-L281 VanDerWaalsContact O-CG 3.29Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.08Å; L278-L281 PolarHBondContact O-N 3.06Å; L281-G284 PolarHBondContact O-N 2.9Å; L281-M285 WeakPolarHBondContact O-CB 3.43Å; L281-M285 WeakPolarHBondContact O-CG 3.34Å; L281-M285 PolarHBondContact O-N 2.87Å
282E88Confident90.1Very high104 Ų10494 Ų9449%0.48646%0.458SS..Hα-helixtrans-62-43.7174.8-174.1176.9-165.700111Y195 L278 M285 A286Y195-E282 PolarHBondContact OH-OE2 2.81Å; L278-E282 WeakPolarHBondContact O-CB 3.44Å; L278-E282 PolarHBondContact O-N 2.9Å; E282-M285 PolarHBondContact O-N 3.45Å; E282-A286 WeakPolarHBondContact O-CB 3.27Å; E282-A286 PolarHBondContact O-N 2.8Å
283R89.5Confident90Very high149 Ų14997.2 Ų97.256%0.56247%0.471SS*.Hα-helixtrans-64.7-44.6176.8-152-171.281-129.5-10.3111.7Q279 E280 M285 A286 E287Q279-R283 WeakPolarHBondContact O-CB 3.48Å; Q279-R283 PolarHBondContact O-N 2.73Å; E280-R283 PolarHBondContact O-N 3.2Å; R283-M285 PolarHBondContact O-N 2.94Å; R283-A286 CarbonylContact O-C 3.55Å; R283-A286 WeakPolarHBondContact O-CB 3.25Å; R283-A286 PolarHBondContact O-N 3.13Å; R283-A286 VanDerWaalsContact O-N 3.11Å; R283-E287 IonicContact CZ-OE1 3.23Å; R283-E287 IonicContact NE-OE1 2.76Å; R283-E287 PolarHBondContact NE-OE1 2.97Å; R283-E287 IonicContact NH2-OE1 3.42Å; R283-E287 PolarHBondContact NH2-OE1 3.24Å; R283-E287 VanDerWaalsContact NH2-OE1 3.09Å; R283-E287 IonicContact NH2-OE2 3.51Å; R283-E287 WeakPolarHBondContact O-CB 3.45Å; R283-E287 VanDerWaalsContact O-CG 3.3Å; R283-E287 WeakPolarHBondContact O-CG 3.47Å; R283-E287 PolarHBondContact O-N 3.28Å
284G90Very high89.9Confident20 Ų2096.5 Ų96.521%0.20647%0.468CS..Hα-helixtrans-62.5-38.617500000113.1E280 L281 A286 E287 I288E280-G284 PolarHBondContact O-N 3.13Å; L281-G284 PolarHBondContact O-N 2.9Å; G284-A286 VanDerWaalsContact C-N 3.34Å; G284-E287 PolarHBondContact O-N 2.75Å; G284-I288 WeakPolarHBondContact O-CB 3.09Å; G284-I288 WeakPolarHBondContact O-CD1 3.46Å; G284-I288 VanDerWaalsContact O-CG1 3.27Å; G284-I288 WeakPolarHBondContact O-CG1 3.39Å; G284-I288 PolarHBondContact O-N 3.24Å
285M89.8Confident89.9Confident127 Ų12799.9 Ų99.963%0.62648%0.483SS*.Hα-helixtrans-66.9-33.5172.1-74.4-171.3-66.300112.6L281 E282 R283 K289L281-M285 WeakPolarHBondContact O-CB 3.43Å; L281-M285 WeakPolarHBondContact O-CG 3.34Å; L281-M285 PolarHBondContact O-N 2.87Å; E282-M285 PolarHBondContact O-N 3.45Å; R283-M285 PolarHBondContact O-N 2.94Å; M285-K289 WeakPolarHBondContact O-CB 3.45Å; M285-K289 PolarHBondContact O-N 3.09Å; M285-K289 VanDerWaalsContact O-N 3.09Å
286A90Very high89.7Confident57 Ų57103.3 Ų103.347%0.47150%0.502SS..Hα-helixtrans-70.7-42.517400000112E282 R283 G284 K289 E290E282-A286 WeakPolarHBondContact O-CB 3.27Å; E282-A286 PolarHBondContact O-N 2.8Å; R283-A286 CarbonylContact O-C 3.55Å; R283-A286 WeakPolarHBondContact O-CB 3.25Å; R283-A286 PolarHBondContact O-N 3.13Å; R283-A286 VanDerWaalsContact O-N 3.11Å; G284-A286 VanDerWaalsContact C-N 3.34Å; A286-K289 PolarHBondContact O-N 2.9Å; A286-E290 PolarHBondContact O-N 3.32Å
287E91.1Very high89.7Confident89 Ų89105.8 Ų105.842%0.41651%0.508SS..Hα-helixtrans-57.7-56.4174.3-73.3163.5-168.400110.5R283 G284 K289 E290 E291R283-E287 IonicContact CZ-OE1 3.23Å; R283-E287 IonicContact NE-OE1 2.76Å; R283-E287 PolarHBondContact NE-OE1 2.97Å; R283-E287 IonicContact NH2-OE1 3.42Å; R283-E287 PolarHBondContact NH2-OE1 3.24Å; R283-E287 VanDerWaalsContact NH2-OE1 3.09Å; R283-E287 IonicContact NH2-OE2 3.51Å; R283-E287 WeakPolarHBondContact O-CB 3.45Å; R283-E287 VanDerWaalsContact O-CG 3.3Å; R283-E287 WeakPolarHBondContact O-CG 3.47Å; R283-E287 PolarHBondContact O-N 3.28Å; G284-E287 PolarHBondContact O-N 2.75Å; E287-K289 VanDerWaalsContact C-N 3.26Å; E287-K289 PolarHBondContact O-N 3.24Å; E287-E290 PolarHBondContact O-N 3.44Å; E287-E291 PolarHBondContact O-N 3.02Å
288I89.1Confident89.8Confident102 Ų102105.1 Ų105.152%0.52351%0.509SS..Hα-helixtrans-57.3-39177.1-67.7165.4000111.6G284 E290 E291 V292G284-I288 WeakPolarHBondContact O-CB 3.09Å; G284-I288 WeakPolarHBondContact O-CD1 3.46Å; G284-I288 VanDerWaalsContact O-CG1 3.27Å; G284-I288 WeakPolarHBondContact O-CG1 3.39Å; G284-I288 PolarHBondContact O-N 3.24Å; I288-E290 VanDerWaalsContact C-N 3.34Å; I288-E291 PolarHBondContact O-N 2.95Å; I288-V292 HydrophobicContact CG2-CG2 4.48Å; I288-V292 WeakPolarHBondContact O-CB 3.46Å; I288-V292 VanDerWaalsContact O-CG2 3.31Å; I288-V292 WeakPolarHBondContact O-CG2 3.49Å; I288-V292 PolarHBondContact O-N 3.25Å
289K90.1Very high89.9Confident162 Ų162108.5 Ų108.570%0.70453%0.526SS*.Hα-helixtrans-69.8-31.3178.7-179.3-179.5178.5-175.70112.4M285 A286 E287 H293M285-K289 WeakPolarHBondContact O-CB 3.45Å; M285-K289 PolarHBondContact O-N 3.09Å; M285-K289 VanDerWaalsContact O-N 3.09Å; A286-K289 PolarHBondContact O-N 2.9Å; E287-K289 VanDerWaalsContact C-N 3.26Å; E287-K289 PolarHBondContact O-N 3.24Å; K289-H293 WeakPolarHBondContact O-CB 3.31Å; K289-H293 PolarHBondContact O-N 2.93Å
290E88.8Confident89.8Confident117 Ų117112.9 Ų112.955%0.54754%0.541SS..Hα-helixtrans-75.3-43.1171.6-169.7172160.600111.4A286 E287 I288 V292 H293 Q294A286-E290 PolarHBondContact O-N 3.32Å; E287-E290 PolarHBondContact O-N 3.44Å; I288-E290 VanDerWaalsContact C-N 3.34Å; E290-V292 PolarHBondContact O-N 2.86Å; E290-H293 CarbonylContact O-C 3.47Å; E290-H293 WeakPolarHBondContact O-CA 3.38Å; E290-H293 WeakPolarHBondContact O-CB 3.43Å; E290-H293 PolarHBondContact O-N 2.81Å; E290-Q294 HydrophobicContact CG-CG 4.28Å; E290-Q294 WeakPolarHBondContact O-CG 3.39Å; E290-Q294 PolarHBondContact O-N 3.02Å; E290-Q294 PolarHBondContact OE1-NE2 3.45Å
291E89.8Confident89.8Confident125 Ų125110.1 Ų110.158%0.58453%0.534SS*.Hα-helixtrans-54.2-52.6173.8-71.9-177.3152.900111.2E287 I288 H293 Q294 E295E287-E291 PolarHBondContact O-N 3.02Å; I288-E291 PolarHBondContact O-N 2.95Å; E291-H293 PolarHBondContact O-N 3.23Å; E291-Q294 CarbonylContact O-C 3.57Å; E291-Q294 PolarHBondContact O-N 3.18Å; E291-E295 PolarHBondContact O-N 2.79Å
292V91.3Very high89.9Confident68 Ų68107 Ų10741%0.41253%0.525SS..Hα-helixtrans-58.8-34.6175.91700000111.8I288 E290 H296I288-V292 HydrophobicContact CG2-CG2 4.48Å; I288-V292 WeakPolarHBondContact O-CB 3.46Å; I288-V292 VanDerWaalsContact O-CG2 3.31Å; I288-V292 WeakPolarHBondContact O-CG2 3.49Å; I288-V292 PolarHBondContact O-N 3.25Å; E290-V292 PolarHBondContact O-N 2.86Å; V292-H296 WeakPolarHBondContact O-CB 3.48Å; V292-H296 PolarHBondContact O-CD2 3Å; V292-H296 PolarHBondContact O-N 3.19Å
293H90.1Very high89.8Confident133 Ų133105.7 Ų105.762%0.61653%0.527SS*.Hα-helixtrans-70.3-38.4175.1-172.366.3000112.4K289 E290 E291 K297K289-H293 WeakPolarHBondContact O-CB 3.31Å; K289-H293 PolarHBondContact O-N 2.93Å; E290-H293 CarbonylContact O-C 3.47Å; E290-H293 WeakPolarHBondContact O-CA 3.38Å; E290-H293 WeakPolarHBondContact O-CB 3.43Å; E290-H293 PolarHBondContact O-N 2.81Å; E291-H293 PolarHBondContact O-N 3.23Å; H293-K297 WeakPolarHBondContact O-CB 3.34Å; H293-K297 PolarHBondContact O-N 2.89Å; H293-K297 VanDerWaalsContact O-N 3.12Å
294Q89.4Confident89.7Confident102 Ų102102.9 Ų102.948%0.47752%0.52SS..Hα-helixtrans-69.2-43.4175.3-66.9-172.625.800111.3E290 E291 K297 I298E290-Q294 HydrophobicContact CG-CG 4.28Å; E290-Q294 WeakPolarHBondContact O-CG 3.39Å; E290-Q294 PolarHBondContact O-N 3.02Å; E290-Q294 PolarHBondContact OE1-NE2 3.45Å; E291-Q294 CarbonylContact O-C 3.57Å; E291-Q294 PolarHBondContact O-N 3.18Å; Q294-K297 WeakPolarHBondContact O-CB 3.41Å; Q294-K297 PolarHBondContact O-N 3.03Å; Q294-I298 WeakPolarHBondContact O-CG1 3.48Å; Q294-I298 PolarHBondContact O-N 3.12Å
295E88.9Confident89.6Confident117 Ų117106.7 Ų106.755%0.54754%0.539SS..Hα-helixtrans-58.7-49.7173.1-73.3-163.7140.700111.8E291 K297 I298 I299E291-E295 PolarHBondContact O-N 2.79Å; E295-K297 PolarHBondContact O-N 2.78Å; E295-I298 PolarHBondContact O-N 3.13Å; E295-I298 VanDerWaalsContact O-N 3.11Å; E295-I299 WeakPolarHBondContact O-CB 3.42Å; E295-I299 VanDerWaalsContact O-CG1 3.3Å; E295-I299 WeakPolarHBondContact O-CG1 3.3Å; E295-I299 PolarHBondContact O-N 2.85Å
296H88.4Confident89.4Confident127 Ų127106.5 Ų106.559%0.58854%0.54SS*.Hα-helixtrans-55.8-38.7175.7-92.6-116.2000112.1V292 Y300V292-H296 WeakPolarHBondContact O-CB 3.48Å; V292-H296 PolarHBondContact O-CD2 3Å; V292-H296 PolarHBondContact O-N 3.19Å; H296-Y300 VanDerWaalsContact O-CB 3.27Å; H296-Y300 WeakPolarHBondContact O-CB 3.33Å; H296-Y300 PolarHBondContact O-N 3.24Å
297K91.2Very high89.3Confident150 Ų150106.8 Ų106.865%0.65254%0.539SS*.Hα-helixtrans-69.5-40.5177-175.5-178.3177.4-173.80112.2H293 Q294 E295 S301H293-K297 WeakPolarHBondContact O-CB 3.34Å; H293-K297 PolarHBondContact O-N 2.89Å; H293-K297 VanDerWaalsContact O-N 3.12Å; Q294-K297 WeakPolarHBondContact O-CB 3.41Å; Q294-K297 PolarHBondContact O-N 3.03Å; E295-K297 PolarHBondContact O-N 2.78Å; K297-S301 WeakPolarHBondContact O-CB 3.27Å; K297-S301 PolarHBondContact O-N 3.4Å; K297-S301 PolarHBondContact O-OG 2.98Å
298I92.7Very high89Confident108 Ų108108.3 Ų108.355%0.55454%0.544SS*.Hα-helixtrans-62.5-52.7174.3-69164.2000109.8Q294 E295 Y300 S301 A302Q294-I298 WeakPolarHBondContact O-CG1 3.48Å; Q294-I298 PolarHBondContact O-N 3.12Å; E295-I298 PolarHBondContact O-N 3.13Å; E295-I298 VanDerWaalsContact O-N 3.11Å; I298-Y300 VanDerWaalsContact C-N 3.31Å; I298-Y300 PolarHBondContact O-N 3.34Å; I298-S301 PolarHBondContact O-N 2.89Å; I298-S301 VanDerWaalsContact O-N 3.13Å; I298-S301 PolarHBondContact O-OG 3.36Å; I298-A302 WeakPolarHBondContact O-CB 3.49Å; I298-A302 PolarHBondContact O-N 3.11Å
299I91.9Very high88.7Confident112 Ų112105.5 Ų105.557%0.57453%0.533SS*.Hα-helixtrans-56.5-44.4179-67.7165.3000111E295 A302 S303E295-I299 WeakPolarHBondContact O-CB 3.42Å; E295-I299 VanDerWaalsContact O-CG1 3.3Å; E295-I299 WeakPolarHBondContact O-CG1 3.3Å; E295-I299 PolarHBondContact O-N 2.85Å; I299-A302 PolarHBondContact O-N 3.12Å; I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 3.03Å
300Y87.1Confident88.5Confident172 Ų172105.1 Ų105.168%0.67553%0.532SS*.Hα-helixtrans-60.3-48.7176.1-174.5-92.6000111.9H296 I298 A302 S303 E304H296-Y300 VanDerWaalsContact O-CB 3.27Å; H296-Y300 WeakPolarHBondContact O-CB 3.33Å; H296-Y300 PolarHBondContact O-N 3.24Å; I298-Y300 VanDerWaalsContact C-N 3.31Å; I298-Y300 PolarHBondContact O-N 3.34Å; Y300-A302 PolarHBondContact O-N 3.03Å; Y300-S303 WeakPolarHBondContact O-CB 3.42Å; Y300-S303 PolarHBondContact O-N 3.31Å; Y300-E304 PolarHBondContact O-N 3.47Å
301S90.5Very high88.4Confident61 Ų61104.3 Ų104.343%0.42753%0.53SS..Hα-helixtrans-64.4-39.2179.572.20000113K297 I298 E304 V305K297-S301 WeakPolarHBondContact O-CB 3.27Å; K297-S301 PolarHBondContact O-N 3.4Å; K297-S301 PolarHBondContact O-OG 2.98Å; I298-S301 PolarHBondContact O-N 2.89Å; I298-S301 VanDerWaalsContact O-N 3.13Å; I298-S301 PolarHBondContact O-OG 3.36Å; S301-E304 PolarHBondContact O-N 2.98Å; S301-V305 WeakPolarHBondContact O-CG2 3.43Å; S301-V305 PolarHBondContact O-N 3.46Å
302A89.4Confident87.8Confident46 Ų46105.1 Ų105.138%0.3854%0.536SS..Hα-helixtrans-64.9-42.1176.100000111.5I298 I299 Y300 E304 V305 L306I298-A302 WeakPolarHBondContact O-CB 3.49Å; I298-A302 PolarHBondContact O-N 3.11Å; I299-A302 PolarHBondContact O-N 3.12Å; Y300-A302 PolarHBondContact O-N 3.03Å; A302-E304 VanDerWaalsContact C-N 3.34Å; A302-E304 PolarHBondContact O-N 3.46Å; A302-V305 PolarHBondContact O-N 3.03Å; A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 VanDerWaalsContact O-CG 3.29Å; A302-L306 WeakPolarHBondContact O-CG 3.42Å; A302-L306 PolarHBondContact O-N 3.03Å
303S87.1Confident87.3Confident75 Ų75108.2 Ų108.252%0.52454%0.544SS..Hα-helixtrans-60.8-40.6174.1-170.40000112.2I299 Y300 L306 S307I299-S303 WeakPolarHBondContact O-CB 3.38Å; I299-S303 PolarHBondContact O-N 3.03Å; Y300-S303 WeakPolarHBondContact O-CB 3.42Å; Y300-S303 PolarHBondContact O-N 3.31Å; S303-L306 PolarHBondContact O-N 2.89Å; S303-S307 WeakPolarHBondContact O-CB 3.36Å; S303-S307 PolarHBondContact O-N 3.23Å
304E86.6Confident86.9Confident91 Ų91104.8 Ų104.843%0.42554%0.535SS..Hα-helixtrans-65.2-41.9176.1-158.2-166.5155.200112.3Y300 S301 A302 S307 K308Y300-E304 PolarHBondContact O-N 3.47Å; S301-E304 PolarHBondContact O-N 2.98Å; A302-E304 VanDerWaalsContact C-N 3.34Å; A302-E304 PolarHBondContact O-N 3.46Å; E304-S307 PolarHBondContact O-N 3.3Å; E304-K308 WeakPolarHBondContact O-CG 3.46Å; E304-K308 PolarHBondContact O-N 3.45Å; E304-K308 WeakPolarHBondContact OE1-CE 3.35Å; E304-K308 IonicContact OE1-NZ 2.74Å; E304-K308 PolarHBondContact OE1-NZ 2.9Å
305V88Confident86.6Confident99 Ų99102.9 Ų102.960%0.653%0.533SS*.Hα-helixtrans-65.8-42.9175.5171.70000111.6S301 A302 K308 S309S301-V305 WeakPolarHBondContact O-CG2 3.43Å; S301-V305 PolarHBondContact O-N 3.46Å; A302-V305 PolarHBondContact O-N 3.03Å; V305-K308 PolarHBondContact O-N 3.31Å; V305-S309 WeakPolarHBondContact O-CB 3.29Å; V305-S309 PolarHBondContact O-N 3.29Å
306L87Confident86.2Confident123 Ų123103 Ų10364%0.64454%0.537SS*.Hα-helixtrans-62.3-42.5175.9-74170.6000111.7A302 S303 S309 F310A302-L306 WeakPolarHBondContact O-CB 3.49Å; A302-L306 VanDerWaalsContact O-CG 3.29Å; A302-L306 WeakPolarHBondContact O-CG 3.42Å; A302-L306 PolarHBondContact O-N 3.03Å; S303-L306 PolarHBondContact O-N 2.89Å; L306-S309 PolarHBondContact O-N 3.42Å; L306-F310 WeakPolarHBondContact O-CB 3.17Å; L306-F310 PolarHBondContact O-N 3.4Å
307S86.6Confident85.8Confident64 Ų64101.8 Ų101.845%0.44853%0.533SS..Hα-helixtrans-60.2-48.2175.2-1770000111.9S303 E304 S309 F310 I311S303-S307 WeakPolarHBondContact O-CB 3.36Å; S303-S307 PolarHBondContact O-N 3.23Å; E304-S307 PolarHBondContact O-N 3.3Å; S307-S309 VanDerWaalsContact C-N 3.35Å; S307-S309 PolarHBondContact O-N 3.38Å; S307-F310 PolarHBondContact O-N 3.03Å; S307-I311 WeakPolarHBondContact O-CG1 3.29Å; S307-I311 PolarHBondContact O-N 2.88Å
308K84.2Confident85.3Confident120 Ų12097.2 Ų97.252%0.52252%0.518SS..Hα-helixtrans-60.2-42174.7-71169.3-174.8170.10112.1E304 V305 I311 M312E304-K308 WeakPolarHBondContact O-CG 3.46Å; E304-K308 PolarHBondContact O-N 3.45Å; E304-K308 WeakPolarHBondContact OE1-CE 3.35Å; E304-K308 IonicContact OE1-NZ 2.74Å; E304-K308 PolarHBondContact OE1-NZ 2.9Å; V305-K308 PolarHBondContact O-N 3.31Å; K308-I311 PolarHBondContact O-N 2.6Å; K308-M312 WeakPolarHBondContact O-CB 3.43Å; K308-M312 PolarHBondContact O-N 2.92Å
309S84.6Confident84.4Confident43 Ų4397.2 Ų97.230%0.30152%0.519SS..Hα-helixtrans-63.1-40.9176.1-168.70000112.3V305 L306 S307 M312 K313V305-S309 WeakPolarHBondContact O-CB 3.29Å; V305-S309 PolarHBondContact O-N 3.29Å; L306-S309 PolarHBondContact O-N 3.42Å; S307-S309 VanDerWaalsContact C-N 3.35Å; S307-S309 PolarHBondContact O-N 3.38Å; S309-M312 PolarHBondContact O-N 3.43Å; S309-K313 WeakPolarHBondContact O-CB 3.36Å; S309-K313 VanDerWaalsContact O-CG 3.29Å; S309-K313 WeakPolarHBondContact O-CG 3.49Å; S309-K313 PolarHBondContact O-N 3.42Å
310F85.9Confident83.6Confident154 Ų15499.7 Ų99.768%0.67552%0.521SS*.Hα-helixtrans-63.8-46.2176.7-177.3-96.9000111.9L306 S307 M312 K313 S314L306-F310 WeakPolarHBondContact O-CB 3.17Å; L306-F310 PolarHBondContact O-N 3.4Å; S307-F310 PolarHBondContact O-N 3.03Å; F310-M312 VanDerWaalsContact C-N 3.34Å; F310-M312 PolarHBondContact O-N 2.98Å; F310-K313 PolarHBondContact O-N 3.44Å; F310-S314 WeakPolarHBondContact O-CB 3.4Å; F310-S314 PolarHBondContact O-N 3.46Å
311I84.9Confident83.1Confident100 Ų10097.1 Ų97.151%0.51352%0.515SS..Hα-helixtrans-61-42.8176.2-66164.9000111.1S307 K308 S315S307-I311 WeakPolarHBondContact O-CG1 3.29Å; S307-I311 PolarHBondContact O-N 2.88Å; K308-I311 PolarHBondContact O-N 2.6Å; I311-S315 WeakPolarHBondContact O-CB 3.39Å; I311-S315 PolarHBondContact O-N 3.02Å; I311-S315 PolarHBondContact O-OG 3.01Å
312M78.1Confident82.3Confident142 Ų14299.8 Ų99.870%0.752%0.519SS*.Hα-helixtrans-64.2-45.6176.8-175.9-179.6175.500112.1K308 S309 F310 S315 L316K308-M312 WeakPolarHBondContact O-CB 3.43Å; K308-M312 PolarHBondContact O-N 2.92Å; S309-M312 PolarHBondContact O-N 3.43Å; F310-M312 VanDerWaalsContact C-N 3.34Å; F310-M312 PolarHBondContact O-N 2.98Å; M312-S315 WeakPolarHBondContact O-CB 3.39Å; M312-S315 PolarHBondContact O-N 3.45Å; M312-L316 PolarHBondContact O-N 3.38Å
313K79.9Confident81.5Confident134 Ų134103.4 Ų103.458%0.58353%0.528SS*.Hα-helixtrans-62.7-43.9177.3-74.4171.1-178.9176.20112S309 F310 S315 L316 I317S309-K313 WeakPolarHBondContact O-CB 3.36Å; S309-K313 VanDerWaalsContact O-CG 3.29Å; S309-K313 WeakPolarHBondContact O-CG 3.49Å; S309-K313 PolarHBondContact O-N 3.42Å; F310-K313 PolarHBondContact O-N 3.44Å; K313-S315 VanDerWaalsContact C-N 3.34Å; K313-S315 PolarHBondContact O-N 3.34Å; K313-L316 PolarHBondContact O-N 3.27Å; K313-I317 WeakPolarHBondContact O-CG1 3.44Å; K313-I317 PolarHBondContact O-N 2.76Å; K313-I317 VanDerWaalsContact O-N 3.09Å
314S81.8Confident80.8Confident60 Ų60104.1 Ų104.142%0.4252%0.523SS..Hα-helixtrans-59.5-44.8174.9-179.50000111.6F310 L316 I317 V318F310-S314 WeakPolarHBondContact O-CB 3.4Å; F310-S314 PolarHBondContact O-N 3.46Å; S314-L316 VanDerWaalsContact C-N 3.33Å; S314-L316 PolarHBondContact O-N 3.3Å; S314-I317 PolarHBondContact O-N 3.06Å; S314-V318 WeakPolarHBondContact O-CG2 3.41Å; S314-V318 PolarHBondContact O-N 2.92Å; S314-V318 VanDerWaalsContact O-N 3.1Å
315S83.3Confident80.3Confident63 Ų63108.2 Ų108.244%0.44153%0.534SS..Hα-helixtrans-61.4-39.2177.1-58.90000112.6I311 M312 K313 V318 L319I311-S315 WeakPolarHBondContact O-CB 3.39Å; I311-S315 PolarHBondContact O-N 3.02Å; I311-S315 PolarHBondContact O-OG 3.01Å; M312-S315 WeakPolarHBondContact O-CB 3.39Å; M312-S315 PolarHBondContact O-N 3.45Å; K313-S315 VanDerWaalsContact C-N 3.34Å; K313-S315 PolarHBondContact O-N 3.34Å; S315-V318 PolarHBondContact O-N 2.92Å; S315-L319 WeakPolarHBondContact O-CG 3.46Å; S315-L319 PolarHBondContact O-N 3.23Å; S315-L319 VanDerWaalsContact O-N 3.11Å
316L81.6Confident79.7Confident120 Ų120112.1 Ų112.163%0.62854%0.538SS*.Hα-helixtrans-67.2-40.4177.8-175.363000112.6M312 K313 S314 L319 R320M312-L316 PolarHBondContact O-N 3.38Å; K313-L316 PolarHBondContact O-N 3.27Å; S314-L316 VanDerWaalsContact C-N 3.33Å; S314-L316 PolarHBondContact O-N 3.3Å; L316-L319 PolarHBondContact O-N 2.78Å; L316-R320 PolarHBondContact O-N 3.24Å
317I78.9Confident79.1Confident100 Ų100109.6 Ų109.651%0.51353%0.525SS..Hα-helixtrans-60.7-48.1174.6-66.3163.4000110.1K313 S314 L319 R320 E321K313-I317 WeakPolarHBondContact O-CG1 3.44Å; K313-I317 PolarHBondContact O-N 2.76Å; K313-I317 VanDerWaalsContact O-N 3.09Å; S314-I317 PolarHBondContact O-N 3.06Å; I317-L319 PolarHBondContact O-N 3.27Å; I317-R320 WeakPolarHBondContact O-CB 3.48Å; I317-R320 PolarHBondContact O-N 3.1Å; I317-R320 VanDerWaalsContact O-N 3.07Å; I317-E321 HydrophobicContact CG2-CG 4.47Å; I317-E321 PolarHBondContact O-N 3.47Å
318V81.7Confident78.6Confident55 Ų55112.7 Ų112.733%0.33354%0.536SS..Hα-helixtrans-63.3-26.7178.9170.90000112.9S314 S315 K322S314-V318 WeakPolarHBondContact O-CG2 3.41Å; S314-V318 PolarHBondContact O-N 2.92Å; S314-V318 VanDerWaalsContact O-N 3.1Å; S315-V318 PolarHBondContact O-N 2.92Å; V318-K322 HydrophobicContact CG1-CD 4.44Å; V318-K322 VanDerWaalsContact O-CD 3.25Å; V318-K322 WeakPolarHBondContact O-CD 3.25Å; V318-K322 WeakPolarHBondContact O-CG 3.45Å
319L72.9Confident78.1Confident108 Ų108113.4 Ų113.457%0.56554%0.539SS*.Hα-helixtrans-73.2-45171.2-72.8170.1000111.6S315 L316 I317 K322 E323S315-L319 WeakPolarHBondContact O-CG 3.46Å; S315-L319 PolarHBondContact O-N 3.23Å; S315-L319 VanDerWaalsContact O-N 3.11Å; L316-L319 PolarHBondContact O-N 2.78Å; I317-L319 PolarHBondContact O-N 3.27Å; L319-K322 WeakPolarHBondContact O-CB 3.39Å; L319-K322 PolarHBondContact O-N 3.3Å; L319-E323 PolarHBondContact O-N 3.09Å; L319-E323 VanDerWaalsContact O-N 3.14Å
320R75.1Confident77.5Confident164 Ų164117.2 Ų117.262%0.61955%0.55SS**Hα-helixtrans-61.1-45.7178.2-177.1175.4173.8159.13.2112.5L316 I317 K322 E323 E324L316-R320 PolarHBondContact O-N 3.24Å; I317-R320 WeakPolarHBondContact O-CB 3.48Å; I317-R320 PolarHBondContact O-N 3.1Å; I317-R320 VanDerWaalsContact O-N 3.07Å; R320-K322 VanDerWaalsContact C-N 3.27Å; R320-K322 PolarHBondContact O-N 3.48Å; R320-E323 PolarHBondContact O-N 2.99Å; R320-E324 HydrophobicContact CG-CG 4.44Å; R320-E324 WeakPolarHBondContact CG-OE1 3.14Å; R320-E324 IonicContact CZ-OE1 3.51Å; R320-E324 IonicContact NE-OE1 3.37Å; R320-E324 PolarHBondContact NE-OE1 3.19Å; R320-E324 IonicContact NH2-OE1 2.64Å; R320-E324 PolarHBondContact NH2-OE1 3.11Å; R320-E324 PolarHBondContact O-N 3.14Å
321E76.4Confident77Confident117 Ų117113.3 Ų113.355%0.54754%0.539SS..Hα-helixtrans-57.6-38.9174.7-71-179.9164.400112.5I317 E323 R325I317-E321 HydrophobicContact CG2-CG 4.47Å; I317-E321 PolarHBondContact O-N 3.47Å; E321-E323 VanDerWaalsContact C-N 3.31Å; E321-E323 PolarHBondContact O-N 3.05Å; E321-R325 WeakPolarHBondContact O-CB 3.22Å; E321-R325 PolarHBondContact O-N 3.35Å
322K74Confident76.6Confident118 Ų118114.6 Ų114.651%0.51354%0.541SS..Hα-helixtrans-67.8-30.9177.2-73167.7-172.5170.80112.2V318 L319 R320 R326V318-K322 HydrophobicContact CG1-CD 4.44Å; V318-K322 VanDerWaalsContact O-CD 3.25Å; V318-K322 WeakPolarHBondContact O-CD 3.25Å; V318-K322 WeakPolarHBondContact O-CG 3.45Å; L319-K322 WeakPolarHBondContact O-CB 3.39Å; L319-K322 PolarHBondContact O-N 3.3Å; R320-K322 VanDerWaalsContact C-N 3.27Å; R320-K322 PolarHBondContact O-N 3.48Å; K322-R326 WeakPolarHBondContact O-CD 3.23Å; K322-R326 VanDerWaalsContact O-CG 3.23Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å; K322-R326 PolarHBondContact O-N 2.95Å
323E73.2Confident76.4Confident122 Ų122116.1 Ų116.157%0.5754%0.539SS*.Hα-helixtrans-77.2-48.3176.5-177.9160.5-145.800112.2L319 R320 E321 R325 R326 N327L319-E323 PolarHBondContact O-N 3.09Å; L319-E323 VanDerWaalsContact O-N 3.14Å; R320-E323 PolarHBondContact O-N 2.99Å; E321-E323 VanDerWaalsContact C-N 3.31Å; E321-E323 PolarHBondContact O-N 3.05Å; E323-R325 VanDerWaalsContact C-N 3.29Å; E323-R325 PolarHBondContact O-N 2.98Å; E323-R326 WeakPolarHBondContact O-CA 3.45Å; E323-R326 WeakPolarHBondContact O-CB 3.35Å; E323-R326 PolarHBondContact O-N 3.3Å; E323-N327 PolarHBondContact O-N 2.92Å
324E72.6Confident75.8Confident89 Ų89115 Ų11542%0.41654%0.536SS..Hα-helixtrans-58.8-41.8175.6-69174.8-178.500110.7R320 R326 N327 L328R320-E324 HydrophobicContact CG-CG 4.44Å; R320-E324 WeakPolarHBondContact CG-OE1 3.14Å; R320-E324 IonicContact CZ-OE1 3.51Å; R320-E324 IonicContact NE-OE1 3.37Å; R320-E324 PolarHBondContact NE-OE1 3.19Å; R320-E324 IonicContact NH2-OE1 2.64Å; R320-E324 PolarHBondContact NH2-OE1 3.11Å; R320-E324 PolarHBondContact O-N 3.14Å; E324-R326 VanDerWaalsContact C-N 3.3Å; E324-R326 PolarHBondContact O-N 3.07Å; E324-N327 PolarHBondContact O-N 3.24Å; E324-L328 PolarHBondContact O-N 2.92Å
325R76.4Confident75.1Confident178 Ų178117.1 Ų117.167%0.67254%0.539SS*.Hα-helixtrans-65.5-25.2173.2-167.7176.8-172.2-163.73.9114.1E321 E323 K329E321-R325 WeakPolarHBondContact O-CB 3.22Å; E321-R325 PolarHBondContact O-N 3.35Å; E323-R325 VanDerWaalsContact C-N 3.29Å; E323-R325 PolarHBondContact O-N 2.98Å; R325-K329 WeakPolarHBondContact O-CG 3.42Å
326R74.5Confident74.7Confident181 Ų181117.8 Ų117.868%0.68354%0.535SS*.Hα-helixtrans-75.1-41.2171.2-78165.1174.6-170.5-2110.9K322 E323 E324 K329 K330K322-R326 WeakPolarHBondContact O-CD 3.23Å; K322-R326 VanDerWaalsContact O-CG 3.23Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å; K322-R326 PolarHBondContact O-N 2.95Å; E323-R326 WeakPolarHBondContact O-CA 3.45Å; E323-R326 WeakPolarHBondContact O-CB 3.35Å; E323-R326 PolarHBondContact O-N 3.3Å; E324-R326 VanDerWaalsContact C-N 3.3Å; E324-R326 PolarHBondContact O-N 3.07Å; R326-K329 PolarHBondContact O-N 2.99Å; R326-K330 PolarHBondContact O-N 2.95Å
327N74.8Confident74.2Confident70 Ų70118 Ų11837%0.37453%0.533SS..Hα-helixtrans-70.9-41.4-179.3-69.6-22.7000112.1E323 E324 K329 K330 V331E323-N327 PolarHBondContact O-N 2.92Å; E324-N327 PolarHBondContact O-N 3.24Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 2.93Å; N327-K330 WeakPolarHBondContact O-CB 3.46Å; N327-K330 PolarHBondContact O-N 3.47Å; N327-K330 PolarHBondContact OD1-NZ 3.17Å; N327-V331 PolarHBondContact O-N 3.27Å; N327-V331 VanDerWaalsContact O-N 3.09Å
328L75.3Confident74Confident128 Ų128119 Ų11967%0.6754%0.536SS*.Hα-helixtrans-53.8-40.4170-78161.7000112.6E324 K332E324-L328 PolarHBondContact O-N 2.92Å; L328-K332 PolarHBondContact O-N 3.34Å; L328-K332 VanDerWaalsContact O-N 3.14Å
329K74.4Confident73.4Confident135 Ų135122.5 Ų122.559%0.58755%0.548SS*.Hα-helixtrans-69.7-26.1175.6-77.6-176.5175.3-170.10114.1R325 R326 N327 R333R325-K329 WeakPolarHBondContact O-CG 3.42Å; R326-K329 PolarHBondContact O-N 2.99Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 2.93Å; K329-R333 WeakPolarHBondContact O-CD 3.49Å; K329-R333 WeakPolarHBondContact O-CG 3.42Å
330K72.7Confident73.7Confident123 Ų123124.1 Ų124.154%0.53555%0.551SS.*Hα-helixtrans-72.2-51.1173.2-66.9171.2-173.91640110.3R326 N327 K332 R333 Q334R326-K330 PolarHBondContact O-N 2.95Å; N327-K330 WeakPolarHBondContact O-CB 3.46Å; N327-K330 PolarHBondContact O-N 3.47Å; N327-K330 PolarHBondContact OD1-NZ 3.17Å; K330-K332 PolarHBondContact O-N 3.09Å; K330-R333 WeakPolarHBondContact O-CB 3.3Å; K330-R333 PolarHBondContact O-N 3.2Å; K330-R333 VanDerWaalsContact O-N 3.12Å; K330-Q334 PolarHBondContact O-N 3.26Å; K330-Q334 VanDerWaalsContact O-N 3.11Å
331V74.4Confident73.8Confident72 Ų72123.2 Ų123.244%0.43655%0.551SS.*Hα-helixtrans-58.1-47.5-178.6176.70000111.3N327 R333 Q334 Q335N327-V331 PolarHBondContact O-N 3.27Å; N327-V331 VanDerWaalsContact O-N 3.09Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.14Å; V331-Q334 PolarHBondContact O-N 3.34Å; V331-Q334 VanDerWaalsContact O-N 3.09Å; V331-Q335 PolarHBondContact O-N 3.05Å
332K76.2Confident73.7Confident127 Ų127122.8 Ų122.855%0.55255%0.552SS**Hα-helixtrans-59.3-37.6178.1-168.6174-168.9-73.60112.9L328 K330 Q335 E336L328-K332 PolarHBondContact O-N 3.34Å; L328-K332 VanDerWaalsContact O-N 3.14Å; K330-K332 PolarHBondContact O-N 3.09Å; K332-Q335 PolarHBondContact O-N 3.09Å; K332-E336 IonicContact NZ-OE1 3.15Å; K332-E336 PolarHBondContact NZ-OE1 3.11Å; K332-E336 WeakPolarHBondContact O-CB 3.49Å; K332-E336 VanDerWaalsContact O-CG 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.97Å
333R75.4Confident73.5Confident175 Ų175123.4 Ų123.466%0.6656%0.557SS**Hα-helixtrans-68.7-33.5176.4-77174.9169-170.5-5.2112.9K329 K330 V331 Q337K329-R333 WeakPolarHBondContact O-CD 3.49Å; K329-R333 WeakPolarHBondContact O-CG 3.42Å; K330-R333 WeakPolarHBondContact O-CB 3.3Å; K330-R333 PolarHBondContact O-N 3.2Å; K330-R333 VanDerWaalsContact O-N 3.12Å; V331-R333 VanDerWaalsContact C-N 3.28Å; V331-R333 PolarHBondContact O-N 3.14Å; R333-Q337 WeakPolarHBondContact O-CG 3.34Å; R333-Q337 PolarHBondContact O-N 3.28Å; R333-Q337 VanDerWaalsContact O-N 3.13Å
334Q67.2Low73.8Confident110 Ų110122.4 Ų122.451%0.51456%0.559SS.*Hα-helixtrans-67.6-47174.7-68.7170-68.500110.3K330 V331 E336 Q337 E338K330-Q334 PolarHBondContact O-N 3.26Å; K330-Q334 VanDerWaalsContact O-N 3.11Å; V331-Q334 PolarHBondContact O-N 3.34Å; V331-Q334 VanDerWaalsContact O-N 3.09Å; Q334-E336 PolarHBondContact O-N 3.48Å; Q334-Q337 WeakPolarHBondContact O-CB 3.46Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q334-E338 WeakPolarHBondContact O-CG 3.47Å; Q334-E338 PolarHBondContact O-N 2.98Å
335Q66.7Low74.2Confident104 Ų104124.7 Ų124.749%0.48657%0.567SS.*Hα-helixtrans-58.5-42.8175-68.2173.1-27.300112.5V331 K332 Q337 E338 Q339V331-Q335 PolarHBondContact O-N 3.05Å; K332-Q335 PolarHBondContact O-N 3.09Å; Q335-Q337 VanDerWaalsContact C-N 3.31Å; Q335-Q337 PolarHBondContact O-N 3.41Å; Q335-E338 PolarHBondContact O-N 2.91Å; Q335-Q339 WeakPolarHBondContact O-CB 3.4Å; Q335-Q339 WeakPolarHBondContact O-CG 3.5Å; Q335-Q339 PolarHBondContact O-N 3.41Å
336E74.9Confident74.1Confident78 Ų78120.1 Ų120.136%0.36456%0.555SS.*Hα-helixtrans-63.2-32.4174.7-75.5167.7-17100113.2K332 Q334 K340K332-E336 IonicContact NZ-OE1 3.15Å; K332-E336 PolarHBondContact NZ-OE1 3.11Å; K332-E336 WeakPolarHBondContact O-CB 3.49Å; K332-E336 VanDerWaalsContact O-CG 3.3Å; K332-E336 WeakPolarHBondContact O-CG 3.34Å; K332-E336 PolarHBondContact O-N 2.97Å; Q334-E336 PolarHBondContact O-N 3.48Å; E336-K340 WeakPolarHBondContact O-CG 3.4Å; E336-K340 PolarHBondContact O-N 3.13Å
337Q71.3Confident74.4Confident124 Ų124114 Ų11458%0.57954%0.543SS*.Hα-helixtrans-75.6-36.7174.3-74.6177.8-6.100112.3R333 Q334 Q335 K341R333-Q337 WeakPolarHBondContact O-CG 3.34Å; R333-Q337 PolarHBondContact O-N 3.28Å; R333-Q337 VanDerWaalsContact O-N 3.13Å; Q334-Q337 WeakPolarHBondContact O-CB 3.46Å; Q334-Q337 PolarHBondContact O-N 3.12Å; Q335-Q337 VanDerWaalsContact C-N 3.31Å; Q335-Q337 PolarHBondContact O-N 3.41Å; Q337-K341 WeakPolarHBondContact O-CG 3.42Å; Q337-K341 PolarHBondContact O-N 2.88Å; Q337-K341 VanDerWaalsContact O-N 3.08Å
338E73.8Confident74.4Confident122 Ų122116.3 Ų116.357%0.5755%0.554SS**Hα-helixtrans-69-43.5176.7-72.4173.9162.500111.8Q334 Q335 K340 K341 L342Q334-E338 WeakPolarHBondContact O-CG 3.47Å; Q334-E338 PolarHBondContact O-N 2.98Å; Q335-E338 PolarHBondContact O-N 2.91Å; E338-K340 VanDerWaalsContact C-N 3.32Å; E338-K340 PolarHBondContact O-N 3.28Å; E338-K341 WeakPolarHBondContact O-CB 3.46Å; E338-K341 PolarHBondContact O-N 3.38Å; E338-K341 VanDerWaalsContact O-N 3.15Å; E338-L342 PolarHBondContact O-N 3.06Å
339Q68.8Low74.6Confident128 Ų128116.5 Ų116.560%0.59855%0.551SS**Hα-helixtrans-59-41.1174.1-75.1-179-12.300112.2Q335 L342 Q343Q335-Q339 WeakPolarHBondContact O-CB 3.4Å; Q335-Q339 WeakPolarHBondContact O-CG 3.5Å; Q335-Q339 PolarHBondContact O-N 3.41Å; Q339-L342 WeakPolarHBondContact O-CB 3.42Å; Q339-L342 PolarHBondContact O-N 2.61Å; Q339-Q343 PolarHBondContact O-N 2.93Å
340K78.8Confident74.8Confident142 Ų142115.6 Ų115.662%0.61755%0.549SS*.Hα-helixtrans-64.8-40.3174.6-75.1177.5178.2-175.50112.6E336 E338 L342 Q343 V344E336-K340 WeakPolarHBondContact O-CG 3.4Å; E336-K340 PolarHBondContact O-N 3.13Å; E338-K340 VanDerWaalsContact C-N 3.32Å; E338-K340 PolarHBondContact O-N 3.28Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.25Å; K340-Q343 PolarHBondContact O-N 3.36Å; K340-V344 WeakPolarHBondContact O-CG2 3.35Å; K340-V344 PolarHBondContact O-N 3.39Å; K340-V344 VanDerWaalsContact O-N 3.15Å
341K77.4Confident75.1Confident144 Ų144117.7 Ų117.763%0.62655%0.553SS**Hα-helixtrans-62.5-35.9172-72.3172.5-179.7177.60111.8Q337 E338 K345Q337-K341 WeakPolarHBondContact O-CG 3.42Å; Q337-K341 PolarHBondContact O-N 2.88Å; Q337-K341 VanDerWaalsContact O-N 3.08Å; E338-K341 WeakPolarHBondContact O-CB 3.46Å; E338-K341 PolarHBondContact O-N 3.38Å; E338-K341 VanDerWaalsContact O-N 3.15Å; K341-K345 PolarHBondContact O-N 2.91Å
342L74.5Confident75.4Confident108 Ų108123.6 Ų123.657%0.56557%0.568SS**Hα-helixtrans-66-47.7175.9-132.683.3000111.7E338 Q339 K340 V344 K345 I346E338-L342 PolarHBondContact O-N 3.06Å; Q339-L342 WeakPolarHBondContact O-CB 3.42Å; Q339-L342 PolarHBondContact O-N 2.61Å; K340-L342 VanDerWaalsContact C-N 3.28Å; K340-L342 PolarHBondContact O-N 3.25Å; L342-V344 VanDerWaalsContact C-N 3.32Å; L342-V344 PolarHBondContact O-N 3.15Å; L342-K345 WeakPolarHBondContact O-CB 3.43Å; L342-K345 PolarHBondContact O-N 3.08Å; L342-I346 WeakPolarHBondContact O-CG1 3.36Å; L342-I346 PolarHBondContact O-N 3.41Å
343Q69.9Low75.7Confident132 Ų132122.7 Ų122.762%0.61757%0.568SS**Hα-helixtrans-58.7-40.8177.9-74.6178.4-30.100112.5Q339 K340 K345 I346 A347Q339-Q343 PolarHBondContact O-N 2.93Å; K340-Q343 PolarHBondContact O-N 3.36Å; Q343-K345 VanDerWaalsContact C-N 3.32Å; Q343-K345 PolarHBondContact O-N 3.07Å; Q343-I346 PolarHBondContact O-N 3.18Å; Q343-A347 PolarHBondContact O-N 3.37Å
344V80.7Confident76Confident100 Ų100119.3 Ų119.361%0.60656%0.563SS**Hα-helixtrans-65.3-33.9175.8173.20000112.2K340 L342 M348K340-V344 WeakPolarHBondContact O-CG2 3.35Å; K340-V344 PolarHBondContact O-N 3.39Å; K340-V344 VanDerWaalsContact O-N 3.15Å; L342-V344 VanDerWaalsContact C-N 3.32Å; L342-V344 PolarHBondContact O-N 3.15Å; V344-M348 VanDerWaalsContact O-CG 3.3Å; V344-M348 WeakPolarHBondContact O-CG 3.43Å; V344-M348 PolarHBondContact O-N 2.99Å
345K79.5Confident76.6Confident138 Ų138118.7 Ų118.760%0.656%0.563SS**Hα-helixtrans-67.4-46.9172.9-73.3-178.6174-169.30111.9K341 L342 Q343 A347 M348 E349K341-K345 PolarHBondContact O-N 2.91Å; L342-K345 WeakPolarHBondContact O-CB 3.43Å; L342-K345 PolarHBondContact O-N 3.08Å; Q343-K345 VanDerWaalsContact C-N 3.32Å; Q343-K345 PolarHBondContact O-N 3.07Å; K345-A347 PolarHBondContact O-N 3.04Å; K345-M348 WeakPolarHBondContact O-CB 3.45Å; K345-M348 PolarHBondContact O-N 3.45Å; K345-M348 VanDerWaalsContact O-N 3.12Å; K345-E349 PolarHBondContact O-N 3.05Å
346I74.3Confident77.3Confident81 Ų81116.5 Ų116.542%0.41556%0.562SS.*Hα-helixtrans-57-50.6179.5-66.3163.8000110.3L342 Q343 M348 E349 E350L342-I346 WeakPolarHBondContact O-CG1 3.36Å; L342-I346 PolarHBondContact O-N 3.41Å; Q343-I346 PolarHBondContact O-N 3.18Å; I346-M348 VanDerWaalsContact C-N 3.26Å; I346-M348 PolarHBondContact O-N 3.45Å; I346-E349 PolarHBondContact O-N 3.34Å; I346-E350 HydrophobicContact CG2-CG 4.34Å; I346-E350 WeakPolarHBondContact O-CG 3.41Å; I346-E350 PolarHBondContact O-N 3.15Å
347A80.6Confident77.3Confident53 Ų53117.5 Ų117.544%0.43857%0.567SS.*Hα-helixtrans-61.9-30.4178.500000113.7Q343 K345 R351Q343-A347 PolarHBondContact O-N 3.37Å; K345-A347 PolarHBondContact O-N 3.04Å; A347-R351 WeakPolarHBondContact O-CB 3.3Å; A347-R351 PolarHBondContact O-N 2.97Å; A347-R351 VanDerWaalsContact O-N 3.14Å
348M75.4Confident77.8Confident119 Ų119120.2 Ų120.259%0.58657%0.572SS**Hα-helixtrans-72.9-35.4173.6-77.6-72.3-70.900112.5V344 K345 I346 R352V344-M348 VanDerWaalsContact O-CG 3.3Å; V344-M348 WeakPolarHBondContact O-CG 3.43Å; V344-M348 PolarHBondContact O-N 2.99Å; K345-M348 WeakPolarHBondContact O-CB 3.45Å; K345-M348 PolarHBondContact O-N 3.45Å; K345-M348 VanDerWaalsContact O-N 3.12Å; I346-M348 VanDerWaalsContact C-N 3.26Å; I346-M348 PolarHBondContact O-N 3.45Å; M348-R352 WeakPolarHBondContact O-CB 3.42Å; M348-R352 PolarHBondContact O-N 2.87Å; M348-R352 VanDerWaalsContact O-N 3.08Å
349E80.4Confident78.1Confident132 Ų132119.1 Ų119.162%0.61757%0.57SS**Hα-helixtrans-74.2-39.5176.3-72.8174.9-174.100111.8K345 I346 R351 R352 L353K345-E349 PolarHBondContact O-N 3.05Å; I346-E349 PolarHBondContact O-N 3.34Å; E349-R351 PolarHBondContact O-N 3.12Å; E349-R352 CarbonylContact O-C 3.59Å; E349-R352 WeakPolarHBondContact O-CB 3.41Å; E349-R352 PolarHBondContact O-N 3.08Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E349-L353 PolarHBondContact O-N 3.14Å
350E77Confident78.7Confident115 Ų115117.4 Ų117.454%0.53756%0.564SS.*Hα-helixtrans-57.6-46.7170.1-71.2171.716500111.7I346 R352 L353 L354I346-E350 HydrophobicContact CG2-CG 4.34Å; I346-E350 WeakPolarHBondContact O-CG 3.41Å; I346-E350 PolarHBondContact O-N 3.15Å; E350-R352 VanDerWaalsContact C-N 3.28Å; E350-R352 PolarHBondContact O-N 3.37Å; E350-L353 WeakPolarHBondContact O-CB 3.44Å; E350-L353 PolarHBondContact O-N 3.04Å; E350-L354 PolarHBondContact O-N 3.45Å
351R80.3Confident78.7Confident168 Ų168116.2 Ų116.263%0.63456%0.561SS**Hα-helixtrans-61.1-36.5174.3-175.5179178.6-168.20112.2A347 E349 L355A347-R351 WeakPolarHBondContact O-CB 3.3Å; A347-R351 PolarHBondContact O-N 2.97Å; A347-R351 VanDerWaalsContact O-N 3.14Å; E349-R351 PolarHBondContact O-N 3.12Å; R351-L355 WeakPolarHBondContact O-CG 3.46Å; R351-L355 PolarHBondContact O-N 3.27Å
352R81.3Confident78.6Confident196 Ų196111.8 Ų111.874%0.7455%0.548SS*.Hα-helixtrans-70.7-37.4177.7-165.3176.8-172.9175.52111.8M348 E349 E350 L355 A356M348-R352 WeakPolarHBondContact O-CB 3.42Å; M348-R352 PolarHBondContact O-N 2.87Å; M348-R352 VanDerWaalsContact O-N 3.08Å; E349-R352 CarbonylContact O-C 3.59Å; E349-R352 WeakPolarHBondContact O-CB 3.41Å; E349-R352 PolarHBondContact O-N 3.08Å; E349-R352 VanDerWaalsContact O-N 3.1Å; E350-R352 VanDerWaalsContact C-N 3.28Å; E350-R352 PolarHBondContact O-N 3.37Å; R352-L355 PolarHBondContact O-N 3.1Å; R352-A356 PolarHBondContact O-N 3.24Å
353L81.4Confident79Confident108 Ų108112 Ų11257%0.56555%0.548SS*.Hα-helixtrans-62.3-47.8173.7-168.191.8000111.3E349 E350 L355 A356 Q357E349-L353 PolarHBondContact O-N 3.14Å; E350-L353 WeakPolarHBondContact O-CB 3.44Å; E350-L353 PolarHBondContact O-N 3.04Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 3.45Å; L353-A356 WeakPolarHBondContact O-CB 3.44Å; L353-A356 PolarHBondContact O-N 3.48Å; L353-A356 VanDerWaalsContact O-N 3.12Å; L353-Q357 WeakPolarHBondContact O-CG 3.39Å; L353-Q357 PolarHBondContact O-N 3.43Å
354L82.1Confident79.5Confident103 Ų103114 Ų11454%0.53955%0.55SS.*Hα-helixtrans-59.5-40.7177.4-75.7165.9000112.2E350 Q357 R358E350-L354 PolarHBondContact O-N 3.45Å; L354-Q357 PolarHBondContact O-N 3.42Å; L354-R358 WeakPolarHBondContact O-CG 3.46Å; L354-R358 PolarHBondContact O-N 3.25Å; L354-R358 VanDerWaalsContact O-N 3.14Å
355L78.8Confident79.5Confident98 Ų98114.6 Ų114.651%0.51355%0.55SS..Hα-helixtrans-66.4-39.1174.7-71.5169.4000112.1R351 R352 L353 R358 N359R351-L355 WeakPolarHBondContact O-CG 3.46Å; R351-L355 PolarHBondContact O-N 3.27Å; R352-L355 PolarHBondContact O-N 3.1Å; L353-L355 VanDerWaalsContact C-N 3.32Å; L353-L355 PolarHBondContact O-N 3.45Å; L355-R358 PolarHBondContact O-N 2.84Å; L355-N359 WeakPolarHBondContact O-CB 3.47Å; L355-N359 VanDerWaalsContact O-CG 3.27Å; L355-N359 PolarHBondContact O-N 3.01Å
356A81.2Confident79.5Confident58 Ų58112.6 Ų112.648%0.47955%0.545SS..Hα-helixtrans-64.6-39.6175.300000112.4R352 L353 N359 L360R352-A356 PolarHBondContact O-N 3.24Å; L353-A356 WeakPolarHBondContact O-CB 3.44Å; L353-A356 PolarHBondContact O-N 3.48Å; L353-A356 VanDerWaalsContact O-N 3.12Å; A356-N359 PolarHBondContact O-N 3.19Å; A356-L360 PolarHBondContact O-N 2.91Å
357Q75.1Confident79.6Confident98 Ų98111.4 Ų111.446%0.45855%0.547SS..Hα-helixtrans-60.6-50.7175.1-73.9172.4-23.600111.6L353 L354 N359 L360 E361L353-Q357 WeakPolarHBondContact O-CG 3.39Å; L353-Q357 PolarHBondContact O-N 3.43Å; L354-Q357 PolarHBondContact O-N 3.42Å; Q357-N359 VanDerWaalsContact C-N 3.3Å; Q357-N359 PolarHBondContact O-N 3.03Å; Q357-L360 WeakPolarHBondContact O-CB 3.47Å; Q357-L360 PolarHBondContact O-N 3.12Å; Q357-E361 WeakPolarHBondContact O-CG 3.42Å; Q357-E361 PolarHBondContact O-N 3.05Å
358R82.8Confident79.7Confident182 Ų182113.2 Ų113.269%0.68755%0.546SS*.Hα-helixtrans-65.4-31.2179.6-61.8-171.593.21678.6113.2L354 L355 S362L354-R358 WeakPolarHBondContact O-CG 3.46Å; L354-R358 PolarHBondContact O-N 3.25Å; L354-R358 VanDerWaalsContact O-N 3.14Å; L355-R358 PolarHBondContact O-N 2.84Å; R358-S362 PolarHBondContact O-N 3.49Å; R358-S362 PolarHBondContact O-OG 3.04Å
359N79.6Confident79.9Confident98 Ų98112.5 Ų112.552%0.52454%0.544SS..Hα-helixtrans-68.3-36171.5-73.6-3.8000112.3L355 A356 Q357 S362 I363L355-N359 WeakPolarHBondContact O-CB 3.47Å; L355-N359 VanDerWaalsContact O-CG 3.27Å; L355-N359 PolarHBondContact O-N 3.01Å; A356-N359 PolarHBondContact O-N 3.19Å; Q357-N359 VanDerWaalsContact C-N 3.3Å; Q357-N359 PolarHBondContact O-N 3.03Å; N359-S362 PolarHBondContact O-N 3.39Å; N359-S362 PolarHBondContact O-OG 3.01Å; N359-I363 WeakPolarHBondContact O-CD1 3.4Å; N359-I363 VanDerWaalsContact O-CG1 3.23Å; N359-I363 WeakPolarHBondContact O-CG1 3.23Å; N359-I363 PolarHBondContact O-N 3.47Å
360L81.1Confident79.7Confident92 Ų92111.8 Ų111.848%0.48254%0.544SS..Hα-helixtrans-71.2-36.9177.2-157.4156.7000111A356 Q357 R364A356-L360 PolarHBondContact O-N 2.91Å; Q357-L360 WeakPolarHBondContact O-CB 3.47Å; Q357-L360 PolarHBondContact O-N 3.12Å; L360-R364 HydrophobicContact CD2-CG 4.45Å; L360-R364 WeakPolarHBondContact O-CG 3.48Å; L360-R364 PolarHBondContact O-N 3.46Å; L360-R364 VanDerWaalsContact O-N 3.12Å
361E78.4Confident79.6Confident117 Ų117108.6 Ų108.655%0.54754%0.537SS..Hα-helixtrans-62.5-44.9170.2-69.2171.7165.400112.5Q357 R364 L365Q357-E361 WeakPolarHBondContact O-CG 3.42Å; Q357-E361 PolarHBondContact O-N 3.05Å; E361-R364 WeakPolarHBondContact O-CB 3.49Å; E361-R364 PolarHBondContact O-N 2.99Å; E361-L365 PolarHBondContact O-N 3.04Å
362S77.2Confident79.5Confident52 Ų52107.8 Ų107.836%0.36453%0.534SS..Hα-helixtrans-67.3-3717969.50000112.5R358 N359 R364 L365 I366R358-S362 PolarHBondContact O-N 3.49Å; R358-S362 PolarHBondContact O-OG 3.04Å; N359-S362 PolarHBondContact O-N 3.39Å; N359-S362 PolarHBondContact O-OG 3.01Å; S362-R364 PolarHBondContact O-N 3.14Å; S362-L365 PolarHBondContact O-N 2.83Å; S362-I366 WeakPolarHBondContact O-CD1 3.27Å; S362-I366 VanDerWaalsContact O-CG1 3.27Å; S362-I366 WeakPolarHBondContact O-CG1 3.49Å; S362-I366 PolarHBondContact O-N 3.35Å
363I82.1Confident79Confident111 Ų111101 Ų10157%0.56952%0.52SS*.Hα-helixtrans-61.2-42.4172.3-70.5164.8000111.2N359 I366 A367N359-I363 WeakPolarHBondContact O-CD1 3.4Å; N359-I363 VanDerWaalsContact O-CG1 3.23Å; N359-I363 WeakPolarHBondContact O-CG1 3.23Å; N359-I363 PolarHBondContact O-N 3.47Å; I363-I366 PolarHBondContact O-N 3.25Å; I363-A367 WeakPolarHBondContact O-CB 3.5Å; I363-A367 PolarHBondContact O-N 3.28Å
364R79.6Confident78.7Confident174 Ų174102.9 Ų102.966%0.65752%0.523SS*.Hα-helixtrans-61.8-43.9175.2-74.4173.2175.3173.4-0.4112.1L360 E361 S362 A367 E368L360-R364 HydrophobicContact CD2-CG 4.45Å; L360-R364 WeakPolarHBondContact O-CG 3.48Å; L360-R364 PolarHBondContact O-N 3.46Å; L360-R364 VanDerWaalsContact O-N 3.12Å; E361-R364 WeakPolarHBondContact O-CB 3.49Å; E361-R364 PolarHBondContact O-N 2.99Å; S362-R364 PolarHBondContact O-N 3.14Å; R364-A367 PolarHBondContact O-N 3.26Å; R364-E368 PolarHBondContact O-N 2.94Å
365L81.9Confident78.5Confident113 Ų113102.8 Ų102.859%0.59252%0.522SS*.Hα-helixtrans-63.2-41.2177.4-177.262.9000112E361 S362 E368 L369E361-L365 PolarHBondContact O-N 3.04Å; S362-L365 PolarHBondContact O-N 2.83Å; L365-E368 PolarHBondContact O-N 3.3Å; L365-L369 HydrophobicContact CG-CD1 4.44Å; L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.93Å; L365-L369 VanDerWaalsContact O-N 3.12Å
366I78.2Confident78.2Confident97 Ų97103.4 Ų103.450%0.49753%0.525SS..Hα-helixtrans-65.4-41.8176.1-68.9163.7000111S362 I363 E368 L369 L370S362-I366 WeakPolarHBondContact O-CD1 3.27Å; S362-I366 VanDerWaalsContact O-CG1 3.27Å; S362-I366 WeakPolarHBondContact O-CG1 3.49Å; S362-I366 PolarHBondContact O-N 3.35Å; I363-I366 PolarHBondContact O-N 3.25Å; I366-E368 PolarHBondContact O-N 3.49Å; I366-L369 PolarHBondContact O-N 3.12Å; I366-L370 HydrophobicContact CG2-CD1 3.91Å; I366-L370 HydrophobicContact CG2-CG 4.39Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 2.97Å
367A76.7Confident77.8Confident55 Ų55107.6 Ų107.646%0.45553%0.533SS..Hα-helixtrans-62.3-42.3177.300000112.6I363 R364 L370 A371I363-A367 WeakPolarHBondContact O-CB 3.5Å; I363-A367 PolarHBondContact O-N 3.28Å; R364-A367 PolarHBondContact O-N 3.26Å; A367-L370 PolarHBondContact O-N 2.97Å; A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 3.38Å
368E83.4Confident77.6Confident91 Ų91107.7 Ų107.743%0.42553%0.533SS..Hα-helixtrans-61.5-43.3175.1178.161.6-159.200112R364 L365 I366 A371 R372R364-E368 PolarHBondContact O-N 2.94Å; L365-E368 PolarHBondContact O-N 3.3Å; I366-E368 PolarHBondContact O-N 3.49Å; E368-A371 PolarHBondContact O-N 3.05Å; E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 3.48Å; E368-R372 VanDerWaalsContact O-N 3.17Å; E368-R372 IonicContact OE1-CZ 2.66Å; E368-R372 IonicContact OE1-NE 2.7Å; E368-R372 PolarHBondContact OE1-NE 2.94Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 3.32Å
369L78.7Confident77Confident105 Ų105104.2 Ų104.255%0.5553%0.525SS..Hα-helixtrans-64.9-41.2176-70169.9000112.2L365 I366 R372 A373L365-L369 HydrophobicContact CG-CD1 4.44Å; L365-L369 WeakPolarHBondContact O-CG 3.33Å; L365-L369 PolarHBondContact O-N 2.93Å; L365-L369 VanDerWaalsContact O-N 3.12Å; I366-L369 PolarHBondContact O-N 3.12Å; L369-R372 PolarHBondContact O-N 3.33Å; L369-A373 PolarHBondContact O-N 3.34Å
370L76.8Confident76.5Confident116 Ų116105.6 Ų105.661%0.60753%0.528SS*.Hα-helixtrans-66.9-35.7176.3-71.8171.9000112.5I366 A367 A373 K374I366-L370 HydrophobicContact CG2-CD1 3.91Å; I366-L370 HydrophobicContact CG2-CG 4.39Å; I366-L370 WeakPolarHBondContact O-CG 3.48Å; I366-L370 PolarHBondContact O-N 2.97Å; A367-L370 PolarHBondContact O-N 2.97Å; L370-A373 PolarHBondContact O-N 3.5Å; L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 2.95Å
371A75.8Confident75.9Confident48 Ų48106 Ų10640%0.39753%0.528SS..Hα-helixtrans-62-45.417400000111.5A367 E368 K374 I375A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 3.38Å; E368-A371 PolarHBondContact O-N 3.05Å; A371-K374 WeakPolarHBondContact O-CB 3.41Å; A371-K374 PolarHBondContact O-N 3.02Å; A371-I375 WeakPolarHBondContact O-CG1 3.34Å; A371-I375 PolarHBondContact O-N 3.28Å
372R77.4Confident75.6Confident152 Ų152106.4 Ų106.457%0.57453%0.529SS*.Hα-helixtrans-63.5-42.4175.9-66.3172.9-172.7-144.70.3112.2E368 L369 K374 I375 L376E368-R372 WeakPolarHBondContact O-CG 3.38Å; E368-R372 PolarHBondContact O-N 3.48Å; E368-R372 VanDerWaalsContact O-N 3.17Å; E368-R372 IonicContact OE1-CZ 2.66Å; E368-R372 IonicContact OE1-NE 2.7Å; E368-R372 PolarHBondContact OE1-NE 2.94Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 3.32Å; L369-R372 PolarHBondContact O-N 3.33Å; R372-K374 VanDerWaalsContact C-N 3.31Å; R372-K374 PolarHBondContact O-N 3.29Å; R372-I375 PolarHBondContact O-N 3.4Å; R372-L376 PolarHBondContact O-N 2.93Å
373A71.8Confident75.3Confident52 Ų52111 Ų11143%0.4354%0.543SS..Hα-helixtrans-62.5-36175.200000112.8L369 L370 K377L369-A373 PolarHBondContact O-N 3.34Å; L370-A373 PolarHBondContact O-N 3.5Å; A373-K377 PolarHBondContact O-N 3.23Å; A373-K377 VanDerWaalsContact O-N 3.15Å
374K74.9Confident74.7Confident149 Ų149109.8 Ų109.865%0.64854%0.535SS*.Hα-helixtrans-64.6-42.3176.1-171-179.1178.4-175.10112.2L370 A371 R372 K377 Q378L370-K374 WeakPolarHBondContact O-CB 3.49Å; L370-K374 PolarHBondContact O-N 2.95Å; A371-K374 WeakPolarHBondContact O-CB 3.41Å; A371-K374 PolarHBondContact O-N 3.02Å; R372-K374 VanDerWaalsContact C-N 3.31Å; R372-K374 PolarHBondContact O-N 3.29Å; K374-K377 PolarHBondContact O-N 3.43Å; K374-Q378 PolarHBondContact O-N 3.39Å
375I77.4Confident74.3Confident100 Ų100106.2 Ų106.251%0.51353%0.527SS..Hα-helixtrans-60.7-46.5177.8-65.9166.1000110.7A371 R372 K377 Q378 Q379A371-I375 WeakPolarHBondContact O-CG1 3.34Å; A371-I375 PolarHBondContact O-N 3.28Å; R372-I375 PolarHBondContact O-N 3.4Å; I375-K377 PolarHBondContact O-N 3.26Å; I375-Q378 PolarHBondContact O-N 3.17Å; I375-Q378 VanDerWaalsContact O-N 3.17Å; I375-Q379 PolarHBondContact O-N 3Å; I375-Q379 VanDerWaalsContact O-N 3.12Å
376L73.3Confident73.8Confident111 Ų111103.7 Ų103.758%0.58152%0.522SS*.Hα-helixtrans-59.8-43.9177.4-68.4171.3000112R372 Q378 Q379 Q380R372-L376 PolarHBondContact O-N 2.93Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.39Å; L376-Q379 PolarHBondContact O-N 3.15Å; L376-Q380 PolarHBondContact O-N 3.12Å; L376-Q380 VanDerWaalsContact O-N 3.16Å
377K72.3Confident73.6Confident146 Ų146105 Ų10564%0.63553%0.526SS*.Hα-helixtrans-63.4-34.5176.9-173.2169.7-177.7173.90112.5A373 K374 I375 Q380 Q381A373-K377 PolarHBondContact O-N 3.23Å; A373-K377 VanDerWaalsContact O-N 3.15Å; K374-K377 PolarHBondContact O-N 3.43Å; I375-K377 PolarHBondContact O-N 3.26Å; K377-Q380 WeakPolarHBondContact O-CB 3.5Å; K377-Q380 PolarHBondContact O-N 3.42Å; K377-Q381 WeakPolarHBondContact O-CG 3.28Å; K377-Q381 PolarHBondContact O-N 2.96Å
378Q70.4Confident73.5Confident101 Ų101109.8 Ų109.847%0.47253%0.533SS..Hα-helixtrans-69.7-41.5179.4-164.2164.2-16.100111.7K374 I375 L376 Q380 Q381 E382K374-Q378 PolarHBondContact O-N 3.39Å; I375-Q378 PolarHBondContact O-N 3.17Å; I375-Q378 VanDerWaalsContact O-N 3.17Å; L376-Q378 VanDerWaalsContact C-N 3.29Å; L376-Q378 PolarHBondContact O-N 3.39Å; Q378-Q380 VanDerWaalsContact C-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.69Å; Q378-Q381 PolarHBondContact O-N 3.29Å; Q378-E382 PolarHBondContact O-N 3.42Å; Q378-E382 VanDerWaalsContact O-N 3.14Å
379Q70Confident73Confident109 Ų109111.5 Ų111.551%0.50954%0.539SS..Hα-helixtrans-63.4-29.6172.8-69.1179-1800113.4I375 L376I375-Q379 PolarHBondContact O-N 3Å; I375-Q379 VanDerWaalsContact O-N 3.12Å; L376-Q379 PolarHBondContact O-N 3.15Å
380Q69.5Low72.6Confident126 Ų126113.3 Ų113.359%0.58954%0.544SS*.Hα-helixtrans-64.1-48.9173.2-160.389.816.900110.8L376 K377 Q378 E382 K383 E384L376-Q380 PolarHBondContact O-N 3.12Å; L376-Q380 VanDerWaalsContact O-N 3.16Å; K377-Q380 WeakPolarHBondContact O-CB 3.5Å; K377-Q380 PolarHBondContact O-N 3.42Å; Q378-Q380 VanDerWaalsContact C-N 3.27Å; Q378-Q380 PolarHBondContact O-N 2.69Å; Q380-E382 PolarHBondContact O-N 2.77Å; Q380-K383 PolarHBondContact O-N 3.38Å; Q380-E384 PolarHBondContact O-N 3.34Å
381Q69.1Low72.3Confident102 Ų102114 Ų11448%0.47755%0.545SS..Hα-helixtrans-68.5-32.1-176.8-66.1-177.1-61.900113K377 Q378 K383 E384 M385K377-Q381 WeakPolarHBondContact O-CG 3.28Å; K377-Q381 PolarHBondContact O-N 2.96Å; Q378-Q381 PolarHBondContact O-N 3.29Å; Q381-K383 VanDerWaalsContact C-N 3.28Å; Q381-K383 PolarHBondContact O-N 3.5Å; Q381-E384 PolarHBondContact O-N 3.38Å; Q381-M385 WeakPolarHBondContact O-CB 3.29Å; Q381-M385 VanDerWaalsContact O-CG 3.28Å; Q381-M385 WeakPolarHBondContact O-CG 3.34Å; Q381-M385 PolarHBondContact O-N 3.05Å
382E70.8Confident72.2Confident124 Ų124117 Ų11758%0.57955%0.55SS**Hα-helixtrans-64.4-31.2175.7-74.3173.1175.500112.6Q378 Q380 A386Q378-E382 PolarHBondContact O-N 3.42Å; Q378-E382 VanDerWaalsContact O-N 3.14Å; Q380-E382 PolarHBondContact O-N 2.77Å; E382-A386 PolarHBondContact O-N 3.29Å
383K70.4Confident72Confident150 Ų150117 Ų11765%0.65256%0.555SS**Hα-helixtrans-72.5-49.9174.2-68.6-177.4176.5-174.90112.3Q380 Q381 M385 A386 E387Q380-K383 PolarHBondContact O-N 3.38Å; Q381-K383 VanDerWaalsContact C-N 3.28Å; Q381-K383 PolarHBondContact O-N 3.5Å; K383-M385 PolarHBondContact O-N 3.36Å; K383-A386 WeakPolarHBondContact O-CB 3.48Å; K383-A386 PolarHBondContact O-N 2.66Å; K383-E387 PolarHBondContact O-N 3.21Å; K383-E387 VanDerWaalsContact O-N 3.17Å
384E70.9Confident72Confident85 Ų85119.8 Ų119.840%0.39756%0.561SS.*Hα-helixtrans-56.2-36.2177.1-66.4171.2-169.100111.8Q380 Q381 A386 R388Q380-E384 PolarHBondContact O-N 3.34Å; Q381-E384 PolarHBondContact O-N 3.38Å; E384-A386 VanDerWaalsContact C-N 3.34Å; E384-R388 WeakPolarHBondContact O-CG 3.36Å; E384-R388 PolarHBondContact O-N 3.17Å
385M69.7Low71.8Confident99 Ų99118.4 Ų118.449%0.48856%0.557SS.*Hα-helixtrans-77.4-13.6176.8-71.5-62.6-62.100114.6Q381 K383 K389Q381-M385 WeakPolarHBondContact O-CB 3.29Å; Q381-M385 VanDerWaalsContact O-CG 3.28Å; Q381-M385 WeakPolarHBondContact O-CG 3.34Å; Q381-M385 PolarHBondContact O-N 3.05Å; K383-M385 PolarHBondContact O-N 3.36Å; M385-K389 WeakPolarHBondContact O-CD 3.43Å; M385-K389 WeakPolarHBondContact O-CG 3.39Å
386A73.4Confident71.5Confident60 Ų60117.9 Ų117.950%0.49655%0.553SS.*Hα-helixtrans-82.5-47.8170.700000110.8E382 K383 E384 R388 K389 E390E382-A386 PolarHBondContact O-N 3.29Å; K383-A386 WeakPolarHBondContact O-CB 3.48Å; K383-A386 PolarHBondContact O-N 2.66Å; E384-A386 VanDerWaalsContact C-N 3.34Å; A386-R388 PolarHBondContact O-N 3.44Å; A386-K389 PolarHBondContact O-N 3.21Å; A386-K389 VanDerWaalsContact O-N 3.17Å; A386-E390 PolarHBondContact O-N 3.32Å
387E73.6Confident71.5Confident124 Ų124115.6 Ų115.658%0.57955%0.549SS*.Hα-helixtrans-59.5-44.4-179.2-67.2170.7179.300112.1K383 K389 E390 Q391K383-E387 PolarHBondContact O-N 3.21Å; K383-E387 VanDerWaalsContact O-N 3.17Å; E387-K389 VanDerWaalsContact C-N 3.3Å; E387-K389 PolarHBondContact O-N 3.32Å; E387-E390 PolarHBondContact O-N 3.15Å; E387-E390 VanDerWaalsContact O-N 3.11Å; E387-Q391 PolarHBondContact O-N 3.12Å
388R74Confident71.5Confident156 Ų156117 Ų11759%0.58955%0.551SS**Hα-helixtrans-59.2-36.5176.8-71.3175.9-175.8-167.11.6113.4E384 A386 E390 Q391 E392E384-R388 WeakPolarHBondContact O-CG 3.36Å; E384-R388 PolarHBondContact O-N 3.17Å; A386-R388 PolarHBondContact O-N 3.44Å; R388-E390 VanDerWaalsContact C-N 3.25Å; R388-E390 PolarHBondContact O-N 3.27Å; R388-Q391 PolarHBondContact O-N 3.14Å; R388-E392 WeakPolarHBondContact O-CB 3.43Å; R388-E392 PolarHBondContact O-N 3.4Å
389K73.2Confident71.5Confident127 Ų127117.8 Ų117.855%0.55256%0.555SS**Hα-helixtrans-73.1-15.1179.2-73.5177.3179.8175.80113.7M385 A386 E387 K393M385-K389 WeakPolarHBondContact O-CD 3.43Å; M385-K389 WeakPolarHBondContact O-CG 3.39Å; A386-K389 PolarHBondContact O-N 3.21Å; A386-K389 VanDerWaalsContact O-N 3.17Å; E387-K389 VanDerWaalsContact C-N 3.3Å; E387-K389 PolarHBondContact O-N 3.32Å; K389-K393 WeakPolarHBondContact O-CG 3.48Å
390E70.9Confident71.5Confident143 Ų143119.5 Ų119.567%0.66856%0.56SS**Hα-helixtrans-85.1-41.1172.7-167.2161.8-125.600110.7A386 E387 R388 K393A386-E390 PolarHBondContact O-N 3.32Å; E387-E390 PolarHBondContact O-N 3.15Å; E387-E390 VanDerWaalsContact O-N 3.11Å; R388-E390 VanDerWaalsContact C-N 3.25Å; R388-E390 PolarHBondContact O-N 3.27Å; E390-K393 PolarHBondContact O-N 3.31Å
391Q69Low71.5Confident131 Ų131120.7 Ų120.761%0.61257%0.566SS**Hα-helixtrans-60.8-48.7174.3-65.5173.2-11.900112.1E387 R388 K393 L394 E395E387-Q391 PolarHBondContact O-N 3.12Å; R388-Q391 PolarHBondContact O-N 3.14Å; Q391-K393 PolarHBondContact O-N 3.27Å; Q391-L394 WeakPolarHBondContact O-CB 3.4Å; Q391-L394 PolarHBondContact O-N 2.76Å; Q391-E395 PolarHBondContact O-N 3.19Å
392E73.4Confident71.4Confident111 Ų111122.1 Ų122.152%0.51957%0.572SS.*Hα-helixtrans-58.6-31.9-178.8-171.2177.5-150.900113R388 Q396R388-E392 WeakPolarHBondContact O-CB 3.43Å; R388-E392 PolarHBondContact O-N 3.4Å; E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 3.06Å
393K74.9Confident71.4Confident152 Ų152121.1 Ų121.166%0.66157%0.571SS**Hα-helixtrans-69-35.4174.7-73.1174-178175.60113.1K389 E390 Q391 A397K389-K393 WeakPolarHBondContact O-CG 3.48Å; E390-K393 PolarHBondContact O-N 3.31Å; Q391-K393 PolarHBondContact O-N 3.27Å; K393-A397 PolarHBondContact O-N 3.32Å
394L71Confident71.5Confident109 Ų109116.3 Ų116.357%0.57156%0.559SS**Hα-helixtrans-67.4-38.8178.1-105.588.8000111.5Q391 A397 R398Q391-L394 WeakPolarHBondContact O-CB 3.4Å; Q391-L394 PolarHBondContact O-N 2.76Å; L394-A397 WeakPolarHBondContact O-CB 3.45Å; L394-A397 PolarHBondContact O-N 3.48Å; L394-R398 PolarHBondContact O-N 3.48Å
395E71.3Confident71.5Confident120 Ų120121.3 Ų121.356%0.56157%0.574SS**Hα-helixtrans-70.2-42.6179.8-62.2-169.3145.100111.9Q391 A397 R398 Q399Q391-E395 PolarHBondContact O-N 3.19Å; E395-A397 PolarHBondContact O-N 3.47Å; E395-R398 PolarHBondContact O-N 3.41Å; E395-R398 VanDerWaalsContact O-N 3.12Å; E395-Q399 PolarHBondContact O-N 3.21Å; E395-Q399 VanDerWaalsContact O-N 3.11Å
396Q70.6Confident71.5Confident90 Ų90121.6 Ų121.642%0.42158%0.577SS.*Hα-helixtrans-62.9-22.3175.2-71.2-178.42100113.7E392 K400E392-Q396 WeakPolarHBondContact O-CG 3.38Å; E392-Q396 PolarHBondContact O-N 3.06Å; Q396-K400 WeakPolarHBondContact O-CD 3.39Å; Q396-K400 WeakPolarHBondContact O-CG 3.49Å
397A72.3Confident71.3Confident62 Ų62125.2 Ų125.251%0.51258%0.584SS.*Hα-helixtrans-71.2-47.9171.900000111.2K393 L394 E395 Q399 K400 E401K393-A397 PolarHBondContact O-N 3.32Å; L394-A397 WeakPolarHBondContact O-CB 3.45Å; L394-A397 PolarHBondContact O-N 3.48Å; E395-A397 PolarHBondContact O-N 3.47Å; A397-Q399 PolarHBondContact O-N 3.23Å; A397-K400 PolarHBondContact O-N 3.45Å; A397-E401 PolarHBondContact O-N 3.16Å
398R73.3Confident70.9Confident176 Ų176126.4 Ų126.466%0.66459%0.589SS**Hα-helixtrans-61.2-45.2179.5-66.5178.5176.4175.3-0.7112.5L394 E395 K400 E401 E402L394-R398 PolarHBondContact O-N 3.48Å; E395-R398 PolarHBondContact O-N 3.41Å; E395-R398 VanDerWaalsContact O-N 3.12Å; R398-K400 PolarHBondContact O-N 3.36Å; R398-E401 WeakPolarHBondContact O-CB 3.42Å; R398-E401 PolarHBondContact O-N 3.41Å; R398-E401 VanDerWaalsContact O-N 3.14Å; R398-E402 PolarHBondContact O-N 3.38Å
399Q70Confident70.6Confident118 Ų118124.6 Ų124.655%0.55159%0.591SS**Hα-helixtrans-61.8-30.6-178.8-69.9176.3-700113.2E395 A397 L403E395-Q399 PolarHBondContact O-N 3.21Å; E395-Q399 VanDerWaalsContact O-N 3.11Å; A397-Q399 PolarHBondContact O-N 3.23Å; Q399-L403 WeakPolarHBondContact O-CG 3.38Å; Q399-L403 PolarHBondContact O-N 3.26Å; Q399-L403 VanDerWaalsContact O-N 3.17Å
400K70.6Confident70.4Confident144 Ų144123.7 Ų123.763%0.62659%0.589SS**Hα-helixtrans-72.4-34.9176.6-73.4173.3-177.5172.30112.7Q396 A397 R398 A404Q396-K400 WeakPolarHBondContact O-CD 3.39Å; Q396-K400 WeakPolarHBondContact O-CG 3.49Å; A397-K400 PolarHBondContact O-N 3.45Å; R398-K400 PolarHBondContact O-N 3.36Å; K400-A404 PolarHBondContact O-N 3.15Å
401E68.4Low70.4Confident151 Ų151119.3 Ų119.371%0.70658%0.577SS**Hα-helixtrans-67.4-42176.3-169.9174.1-170.100111.3A397 R398 A404 R405A397-E401 PolarHBondContact O-N 3.16Å; R398-E401 WeakPolarHBondContact O-CB 3.42Å; R398-E401 PolarHBondContact O-N 3.41Å; R398-E401 VanDerWaalsContact O-N 3.14Å; E401-A404 PolarHBondContact O-N 3.36Å; E401-R405 PolarHBondContact O-N 3.26Å
402E68.4Low70.4Confident132 Ų132117 Ų11762%0.61757%0.574SS**Hα-helixtrans-64.9-44.9176.6-173.4168.5-153.100112.8R398 A404 R405 L406R398-E402 PolarHBondContact O-N 3.38Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 3.34Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 3.29Å; E402-L406 PolarHBondContact O-N 3.22Å
403L70.9Confident70.2Confident103 Ų103118.2 Ų118.254%0.53957%0.574SS.*Hα-helixtrans-61-39.3176.6-79.8167.2000112.9Q399 R405 L406 Q407Q399-L403 WeakPolarHBondContact O-CG 3.38Å; Q399-L403 PolarHBondContact O-N 3.26Å; Q399-L403 VanDerWaalsContact O-N 3.17Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 2.73Å; L403-L406 PolarHBondContact O-N 3.1Å; L403-Q407 PolarHBondContact O-N 3.15Å
404A71.4Confident69.8Low50 Ų50118.3 Ų118.341%0.41357%0.57SS.*Hα-helixtrans-63-35.8176.800000112.2K400 E401 E402K400-A404 PolarHBondContact O-N 3.15Å; E401-A404 PolarHBondContact O-N 3.36Å; E402-A404 VanDerWaalsContact C-N 3.34Å; E402-A404 PolarHBondContact O-N 3.34Å
405R71.3Confident69.5Low190 Ų190122.1 Ų122.172%0.71758%0.577SS**Hα-helixtrans-67.6-38.8177.5-169.6179.3-178.3-173.80.7112.5E401 E402 L403E401-R405 PolarHBondContact O-N 3.26Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 3.29Å; L403-R405 VanDerWaalsContact C-N 3.28Å; L403-R405 PolarHBondContact O-N 2.73Å
406L69.1Low68.6Low104 Ų104122.8 Ų122.855%0.54558%0.58SS.*Hα-helixtrans-66.8-41.3178.4-70.2170.4000112.4E402 L403 Q408 L409 E410E402-L406 PolarHBondContact O-N 3.22Å; L403-L406 PolarHBondContact O-N 3.1Å; L406-Q408 VanDerWaalsContact C-N 3.27Å; L406-Q408 PolarHBondContact O-N 3.41Å; L406-L409 PolarHBondContact O-N 3.34Å; L406-L409 VanDerWaalsContact O-N 3.14Å; L406-E410 PolarHBondContact O-N 3.31Å
407Q69.8Low68.2Low136 Ų136122.2 Ų122.264%0.63658%0.577SS**Hα-helixtrans-62-32.2179.9-70.9178.9-4.700113.3L403 A411L403-Q407 PolarHBondContact O-N 3.15Å; Q407-A411 PolarHBondContact O-N 3.19Å
408Q65.8Low67.8Low149 Ų149126 Ų12670%0.69658%0.584SS**Hα-helixtrans-67.2-34.7176.3-68.4-178.3-000112.7L406L406-Q408 VanDerWaalsContact C-N 3.27Å; L406-Q408 PolarHBondContact O-N 3.41Å
409L67.1Low67Low119 Ų119124.5 Ų124.562%0.62359%0.585SS**Hα-helixtrans-71.5-43.8179.6-66.5169.7000111.8L406 A411 C412L406-L409 PolarHBondContact O-N 3.34Å; L406-L409 VanDerWaalsContact O-N 3.14Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.29Å; L409-C412 PolarHBondContact O-N 3.36Å
410E68.5Low66.3Low108 Ų108125 Ų12551%0.50559%0.591SS.*Hα-helixtrans-65.6-33.9-178.6-166.3175.2-149.800112.4L406 C412 R413 R414L406-E410 PolarHBondContact O-N 3.31Å; E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.4Å; E410-R413 PolarHBondContact O-N 3.21Å; E410-R414 PolarHBondContact O-N 3.17Å
411A71.9Confident65.8Low51 Ų51126.9 Ų126.942%0.42159%0.594SS.*Hα-helixtrans-63.4-29.2175.700000113.8Q407 L409Q407-A411 PolarHBondContact O-N 3.19Å; L409-A411 VanDerWaalsContact C-N 3.3Å; L409-A411 PolarHBondContact O-N 3.29Å
412C68.5Low65.6Low81 Ų81129.5 Ų129.555%0.54760%0.597SS.*Hα-helixtrans-71.1-45.7173.5-90.90000111.9L409 E410 R414 R415L409-C412 PolarHBondContact O-N 3.36Å; E410-C412 VanDerWaalsContact C-N 3.29Å; E410-C412 PolarHBondContact O-N 3.4Å; C412-R414 VanDerWaalsContact C-N 3.32Å; C412-R414 PolarHBondContact O-N 3.23Å; C412-R415 PolarHBondContact O-N 3.2Å; C412-R415 VanDerWaalsContact O-N 3.11Å
413R68.4Low65.4Low138 Ų138128.1 Ų128.152%0.52160%0.597SS.*Hα-helixtrans-57.6-43.7-176.5-154.3-169.687-152.63.7112.2E410 R415 Q416 E417E410-R413 PolarHBondContact O-N 3.21Å; R413-R415 PolarHBondContact O-N 3.28Å; R413-Q416 PolarHBondContact O-N 3.34Å; R413-E417 IonicContact CZ-OE1 3.19Å; R413-E417 IonicContact NE-OE1 2.73Å; R413-E417 PolarHBondContact NE-OE1 3.12Å; R413-E417 IonicContact NH2-OE1 3.81Å; R413-E417 PolarHBondContact NH2-OE1 3.41Å; R413-E417 PolarHBondContact O-N 3.11Å
414R67Low64.9Low153 Ų153129.7 Ų129.758%0.57760%0.602SS**Hα-helixtrans-61.8-22.9179.7-77.4-172.6173.2-168.20.2114.8E410 C412 Q418E410-R414 PolarHBondContact O-N 3.17Å; C412-R414 VanDerWaalsContact C-N 3.32Å; C412-R414 PolarHBondContact O-N 3.23Å; R414-Q418 WeakPolarHBondContact O-CG 3.41Å
415R65.3Low64.8Low190 Ų190131.1 Ų131.172%0.71761%0.606SS**Hα-helixtrans-73.3-40.5177.2-64.8-178.1-174.9-177.11.5111.4C412 R413 Q418C412-R415 PolarHBondContact O-N 3.2Å; C412-R415 VanDerWaalsContact O-N 3.11Å; R413-R415 PolarHBondContact O-N 3.28Å; R415-Q418 PolarHBondContact O-N 3.06Å
416Q53Low64.2Low134 Ų134129 Ų12963%0.62660%0.604SS**Hα-helixtrans-67.7-40.6178.9-64.9174.1-31.700111.9R413 Q418 E419R413-Q416 PolarHBondContact O-N 3.34Å; Q416-Q418 PolarHBondContact O-N 2.98Å; Q416-E419 PolarHBondContact O-N 3.18Å
417E61.6Low63.6Low78 Ų78132 Ų13236%0.36461%0.612SS.*Hα-helixtrans-60.7-27.2177.7-69.4175.5-169.700113.8R413R413-E417 IonicContact CZ-OE1 3.19Å; R413-E417 IonicContact NE-OE1 2.73Å; R413-E417 PolarHBondContact NE-OE1 3.12Å; R413-E417 IonicContact NH2-OE1 3.81Å; R413-E417 PolarHBondContact NH2-OE1 3.41Å; R413-E417 PolarHBondContact O-N 3.11Å
418Q64.3Low63Low140 Ų140132.4 Ų132.465%0.65462%0.615SS**Hα-helixtrans-84.5-25.1-178.7-71.4-179.11.200113.7R414 R415 Q416R414-Q418 WeakPolarHBondContact O-CG 3.41Å; R415-Q418 PolarHBondContact O-N 3.06Å; Q416-Q418 PolarHBondContact O-N 2.98Å
419E56.1Low62.6Low145 Ų145134.3 Ų134.368%0.67862%0.615SS**Hα-helixtrans-75.6-46.2-176.4-165.9161.6-135.400111.2Q416 R421 R422Q416-E419 PolarHBondContact O-N 3.18Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.34Å; E419-R422 PolarHBondContact O-N 3.39Å; E419-R422 VanDerWaalsContact O-N 3.15Å
420L54.8Low62.2Low129 Ų129132 Ų13268%0.67561%0.613SS**Hα-helixtrans-54.5-41.5177.2-68.8169.5000112.9R422 V423L420-R422 PolarHBondContact O-N 3.3Å; L420-R422 VanDerWaalsContact O-N 3.15Å; L420-V423 PolarHBondContact O-N 3.38Å; L420-V423 VanDerWaalsContact O-N 3.1Å
421R59.4Low61.7Low184 Ų184132.2 Ų132.269%0.69462%0.618SS**Hα-helixtrans-64.7-17.4-177.7-72.4-177.3176.5-173.80.3114.4E419E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 3.34Å
422R65.6Low61Low205 Ų205136.4 Ų136.477%0.77463%0.628SS**Hα-helixtrans-74.1-33.9174.2-70.2-173.8170.5-165.7-2.7112.1E419 L420E419-R422 PolarHBondContact O-N 3.39Å; E419-R422 VanDerWaalsContact O-N 3.15Å; L420-R422 PolarHBondContact O-N 3.3Å; L420-R422 VanDerWaalsContact O-N 3.15Å
423V64.2Low60.5Low103 Ų103138.9 Ų138.962%0.62464%0.636SS**Hα-helixtrans-72.9-35.2-172.7-174.10000112.2L420 V425L420-V423 PolarHBondContact O-N 3.38Å; L420-V423 VanDerWaalsContact O-N 3.1Å; V423-V425 VanDerWaalsContact C-N 3.34Å; V423-V425 PolarHBondContact O-N 3.11Å
424E60.4Low59.9Low137 Ų137138.3 Ų138.364%0.6464%0.639SS**Hα-helixtrans-66.9-32.6-178.1-64.4-175.4109.200113.4K427E424-K427 PolarHBondContact O-N 3.42Å
425V68Low59.6Low80 Ų80140.1 Ų140.149%0.48565%0.646SS.*Hα-helixtrans-70.6-34.8-174.7178.50000112V423 K427V423-V425 VanDerWaalsContact C-N 3.34Å; V423-V425 PolarHBondContact O-N 3.11Å; V425-K427 VanDerWaalsContact C-N 3.33Å; V425-K427 PolarHBondContact O-N 3.3Å
426E59.3Low59.3Low146 Ų146139.1 Ų139.168%0.68265%0.646SS**Hα-helixtrans-68.7-34.3-179.7-61.1-166.6135.400111.9Q428 R429E426-Q428 VanDerWaalsContact C-N 3.3Å; E426-Q428 PolarHBondContact O-N 3.17Å; E426-R429 PolarHBondContact O-N 2.92Å
427K57Low59.5Low165 Ų165138.8 Ų138.872%0.71765%0.645SS**Hα-helixtrans-61.5-33.5-179.5-171.9177.2179.5-179.50113.5E424 V425E424-K427 PolarHBondContact O-N 3.42Å; V425-K427 VanDerWaalsContact C-N 3.33Å; V425-K427 PolarHBondContact O-N 3.3Å
428Q56.7Low59.4Low146 Ų146139.5 Ų139.568%0.68265%0.651SS**Hα-helixtrans-70.8-34.2-176.2-67.8-174.7-11.800112.8E426 A430 L431E426-Q428 VanDerWaalsContact C-N 3.3Å; E426-Q428 PolarHBondContact O-N 3.17Å; Q428-A430 PolarHBondContact O-N 3.34Å; Q428-L431 PolarHBondContact O-N 3.42Å
429R57.8Low59.2Low188 Ų188140.2 Ų140.271%0.70966%0.655SS**Hα-helixtrans-64.8-22.2-176.4-69.8179171.8169.3-2.7114E426E426-R429 PolarHBondContact O-N 2.92Å
430A57.6Low59.2Low71 Ų71139 Ų13959%0.58765%0.652SS**THydrogen-bonded Turntrans-73.3-29.7179.400000113.6Q428Q428-A430 PolarHBondContact O-N 3.34Å
431L58.8Low59.3Low113 Ų113140.7 Ų140.759%0.59265%0.65SS**THydrogen-bonded Turntrans-80.5-27.3-168.7-75.5166.3000114.4Q428Q428-L431 PolarHBondContact O-N 3.42Å
432E58Low59.2Low138 Ų138139.6 Ų139.665%0.64565%0.652SS**THydrogen-bonded Turntrans-75.3-28.3-175.3-63.7-162.5124.700113.6Q434 R435E432-Q434 VanDerWaalsContact C-N 3.26Å; E432-Q434 PolarHBondContact O-N 3.45Å; E432-R435 PolarHBondContact O-N 3.11Å
433L57.9Low58.8Low134 Ų134140.1 Ų140.170%0.70265%0.654SS**THydrogen-bonded Turntrans-61.1-36.2178.9-74.5166.9000111.9R435L433-R435 VanDerWaalsContact C-N 3.32Å; L433-R435 PolarHBondContact O-N 3.21Å
434Q54.9Low58.4Low126 Ų126141.8 Ų141.859%0.58966%0.659SS**THydrogen-bonded Turntrans-68.6-25.7-178.4-164.6177.61800113.5E432 K436E432-Q434 VanDerWaalsContact C-N 3.26Å; E432-Q434 PolarHBondContact O-N 3.45Å; Q434-K436 PolarHBondContact O-N 3.17Å
435R61.3Low58.2Low191 Ų191142.5 Ų142.572%0.72167%0.666SS**Hα-helixtrans-69.6-34.1-177.7-74.8-177.7170.6158.3-3.4113.1E432 L433 E437 N438E432-R435 PolarHBondContact O-N 3.11Å; L433-R435 VanDerWaalsContact C-N 3.32Å; L433-R435 PolarHBondContact O-N 3.21Å; R435-E437 PolarHBondContact O-N 3.39Å; R435-N438 PolarHBondContact O-N 3.36Å
436K59.5Low56.8Low168 Ų168142.3 Ų142.373%0.7367%0.667SS**Hα-helixtrans-69.4-14.4-177.1-67.9-179.8178.1175.80113.9Q434Q434-K436 PolarHBondContact O-N 3.17Å
437E55.8Low56.4Low128 Ų128143.5 Ų143.560%0.59868%0.679SS**Hα-helixtrans-80.5-33.1179.8-164.7-178.5163.300112.8R435R435-E437 PolarHBondContact O-N 3.39Å
438N59.9Low56.1Low93 Ų93141.9 Ų141.950%0.49768%0.677SS.*Hα-helixtrans-83-40.2-170.8-79.2-28.5000114.2R435 L440 R441R435-N438 PolarHBondContact O-N 3.36Å; N438-L440 PolarHBondContact O-N 3.32Å; N438-L440 VanDerWaalsContact O-N 3.15Å; N438-R441 WeakPolarHBondContact O-CB 3.47Å; N438-R441 PolarHBondContact O-N 3.14Å
439E60.1Low55.6Low155 Ų155142 Ų14272%0.72468%0.681SS**Hα-helixtrans-67.4-20.6-169-155.1170.6-150.400113.2R441E439-R441 VanDerWaalsContact C-N 3.27Å; E439-R441 PolarHBondContact O-N 3.29Å
440L57.2Low54.7Low120 Ų120143 Ų14363%0.62869%0.69SS**Hα-helixtrans-68.6-20171.3-78.1167.1000113.6N438N438-L440 PolarHBondContact O-N 3.32Å; N438-L440 VanDerWaalsContact O-N 3.15Å
441R55Low54Low164 Ų164149 Ų14962%0.61970%0.703SS**Hα-helixtrans-78.1-37.1179.1-74.5179.5158.2132.8-2.7113.4N438 E439 R443 L444N438-R441 WeakPolarHBondContact O-CB 3.47Å; N438-R441 PolarHBondContact O-N 3.14Å; E439-R441 VanDerWaalsContact C-N 3.27Å; E439-R441 PolarHBondContact O-N 3.29Å; R441-R443 VanDerWaalsContact C-N 3.27Å; R441-R443 PolarHBondContact O-N 3.23Å; R441-L444 PolarHBondContact O-N 3.17Å
442E58Low53.5Low160 Ų160148.5 Ų148.575%0.74871%0.709SS**Hα-helixtrans-69.6-22-173.1-73.8-167.1132.100113.8L444 L445E442-L444 PolarHBondContact O-N 3.31Å; E442-L445 PolarHBondContact O-N 3.41Å
443R57.8Low53Low217 Ų217148.4 Ų148.482%0.81972%0.718SS**THydrogen-bonded Turntrans-58.1-13.5173.6-74.2-174173.3-176.7-1.6114.8R441R441-R443 VanDerWaalsContact C-N 3.27Å; R441-R443 PolarHBondContact O-N 3.23Å
444L55.4Low52.7Low138 Ų138147.1 Ų147.172%0.72373%0.727SS**THydrogen-bonded Turntrans-95.9-20-177-65.7169.8000114.1R441 E442 C446R441-L444 PolarHBondContact O-N 3.17Å; E442-L444 PolarHBondContact O-N 3.31Å; L444-C446 PolarHBondContact O-N 3.19Å
445L55.3Low52.4Low152 Ų152146.2 Ų146.280%0.79674%0.741SS**SBendtrans-10166.5-168.6-75.9173.1000113.9E442E442-L445 PolarHBondContact O-N 3.41Å
446C38.7Very low51.8Low75 Ų75141.8 Ų141.851%0.50775%0.745SS.*  trans42.5124.7138.2-64.40000119.2L444 L448L444-C446 PolarHBondContact O-N 3.19Å; C446-L448 HydrophobicContact CB-CD1 3.86Å; C446-L448 PolarHBondContact O-N 3.45Å
447N52.4Low51.4Low172 Ų172141.8 Ų141.892%0.9275%0.753SS**  56.42.974.1-61.1-40.1000116.6
448L49.1Very low51.3Low131 Ų131141.7 Ų141.769%0.68676%0.764SS**  trans-114.3123.1-179.8-101.172.6000113.1C446C446-L448 HydrophobicContact CB-CD1 3.86Å; C446-L448 PolarHBondContact O-N 3.45Å
449I45.9Very low50.9Low148 Ų148146.1 Ų146.176%0.75978%0.781SS**  trans75.790.6147.6-49.5165.4000119.2
450K39.4Very low50.3Low209 Ų209144.9 Ų144.991%0.90978%0.779SS**  trans0.7125.2139.3-53.6165.8-176.6174.70120.2
451K43Very low50Low196 Ų196146.8 Ų146.885%0.85279%0.789SS**  trans90.8147.8156.3-175.4175.8174.4-175.30121.4
452S48.3Very low49.8Very low104 Ų104144 Ų14473%0.72780%0.801SS**  trans-143.3-176.9170.1620000114.8
453T46.8Very low49.4Very low136 Ų136140 Ų14083%0.83480%0.803SS**  trans-158.7-173.5177.525.10000111.2
454A52.1Low49.4Very low106 Ų106136 Ų13688%0.87681%0.806SS**  trans-154.2165.6-165.500000121
455A49.3Very low49.8Very low107 Ų107135.7 Ų135.788%0.88481%0.812SS**  trans133136.6154.500000120.8
456A49.1Very low49.6Very low99 Ų99133.8 Ų133.882%0.81882%0.818SS**  trans-177.1165.6172.800000120.6
457D50Low50.2Low168 Ų168139.4 Ų139.490%0.89884%0.837SS**  trans-151.90-166.7-60.193.2000122
458P55.1Low50.1Low126 Ų126135.1 Ų135.182%0.81883%0.826SS**  0-177.4043.7-24.8000123.5
459H50Low50.2Low185 Ų185133.8 Ų133.886%0.85683%0.833SS**  trans-163.9-175.5-178.3-150.4-107.3000122.4
460D49.2Very low50.4Low129 Ų129131.5 Ų131.569%0.6984%0.836SS**  trans86.20163.4-87.328.8000124.9
461L50.6Low51.4Low160 Ų160127.8 Ų127.884%0.83883%0.834SS**  0-171.10-123.7174.9000116.4
462A50.7Low51.7Low105 Ų105125.3 Ų125.387%0.86883%0.83SS**  trans-157.1-177.9-171.900000122.8
463G48.4Very low51.7Low77 Ų77127.3 Ų127.379%0.79483%0.832SS**  trans-169.80-178.200000123.7
464P58.5Low51.7Low134 Ų134125.8 Ų125.887%0.8783%0.826SS**  00049.9-31.3000123.8
465P63.6Low51.4Low131 Ų131128.1 Ų128.185%0.85182%0.824SS**  0-168.8039.3-12000123.9
466A51Low51.2Low112 Ų112128.5 Ų128.593%0.92682%0.815SS**  trans-162.7-178.7-177.800000121.9
467E50.8Low50.9Low192 Ų192131.6 Ų131.690%0.89782%0.815SS**  trans-149-172.5-177.4-142.6-159-57.700116
468A51.8Low50.5Low83 Ų83131.1 Ų131.169%0.68681%0.811SS**  cis-158.5-1649.200000112
469A50Low49.8Very low103 Ų103128.6 Ų128.685%0.85181%0.809SS**  cis-161.4-158.2100000111.2
470A49.8Very low49.3Very low99 Ų99126.9 Ų126.982%0.81881%0.811SS**  cis-170.401.700000115.6
471P61.9Low48.8Very low131 Ų131129.2 Ų129.285%0.85182%0.822SS**  0-166.1045.1-34.1000118.9
472D48.3Very low48.2Very low144 Ų144125.2 Ų125.277%0.7782%0.82SS**  cis-160.206.9-157.6-10.9000111.9
473L48.3Very low47.7Very low147 Ų147132.3 Ų132.377%0.7782%0.824SS**  000-89.4176.1000111.1
474S47.9Very low47.2Very low103 Ų103136 Ų13672%0.7283%0.831SS**  0150.7061.50000118.5
475D45.6Very low46.4Very low155 Ų155137.5 Ų137.583%0.82983%0.832SS**  trans68.5170.6160.2-143.221.7000124
476V44.2Very low45.2Very low116 Ų116134.2 Ų134.270%0.70382%0.822SS**  cis-152.6011.1-147.70000111.9
477M43.1Very low44.6Very low163 Ų163136.4 Ų136.480%0.80382%0.823SS**  0-1660-142.2-176.4-16100110.4
478L41.6Very low43.9Very low158 Ų158134.6 Ų134.683%0.82781%0.812SS**  cis-167.5-174.4-5.1-169.452.1000113
479G40.7Very low43.2Very low74 Ų74135.9 Ų135.976%0.76381%0.812SS**  trans-166.7178.8-179.500000123.4
480V40.1Very low42.5Very low149 Ų149137.3 Ų137.390%0.90381%0.805SS**  trans-159.9-179.1-170.677.20000120.5
481L38.5Very low41.8Very low178 Ų178142.5 Ų142.593%0.93281%0.812SS**  trans-147179.1-166.3-60.7175.1000120.8
482G38.3Very low40.5Very low76 Ų76140.2 Ų140.278%0.78481%0.812SS**  trans-167.6179.318000000122.2
483R39Very low40Very low253 Ų253142 Ų14296%0.95581%0.813SS**  trans-160162.3-172.5-53.8-178.9-174.3154.42119.6
484V38.7Very low39.5Very low155 Ų155140.8 Ų140.894%0.93980%0.804SS**  trans-160.5167.3177.9-67.30000120.6
485N41.3Very low39.1Very low166 Ų166143 Ų14389%0.88880%0.8SS**  trans-174.5172172.3-174.658.7000114.8
486G38.1Very low38.8Very low62 Ų62143.5 Ų143.564%0.63980%0.797SS**  cis165.9163.4-16.200000119.2
487V38.4Very low38.5Very low157 Ų157143.8 Ų143.895%0.95280%0.799SS**  trans98.4-178.7162.4-170.60000122.6
488K36.4Very low38.3Very low154 Ų154141.2 Ų141.267%0.6780%0.797SS**  trans-129.6-165.3-138.2-135.1-146.388.1-178.40122.4D490K488-D490 VanDerWaalsContact CE-OD1 3.29Å; K488-D490 WeakPolarHBondContact CE-OD1 3.5Å; K488-D490 IonicContact NZ-OD1 2.76Å; K488-D490 PolarHBondContact NZ-OD1 3.5Å; K488-D490 IonicContact NZ-OD2 3.21Å; K488-D490 PolarHBondContact NZ-OD2 3.25Å
489T36.3Very low38Very low111 Ų111139.3 Ų139.368%0.68180%0.797SS**  trans-140.4-177.4-160.6550000119.3
490D36.8Very low37.8Very low132 Ų132140.4 Ų140.471%0.70680%0.799SS**  trans159.2-176134.4-73.25.8000119.7K488K488-D490 VanDerWaalsContact CE-OD1 3.29Å; K488-D490 WeakPolarHBondContact CE-OD1 3.5Å; K488-D490 IonicContact NZ-OD1 2.76Å; K488-D490 PolarHBondContact NZ-OD1 3.5Å; K488-D490 IonicContact NZ-OD2 3.21Å; K488-D490 PolarHBondContact NZ-OD2 3.25Å
491E35.3Very low37.4Very low209 Ų209145 Ų14598%0.97780%0.8SS**  trans82.7155.1172.2-79-146.8146.200125.9
492G33.3Very low37.1Very low82 Ų82141.6 Ų141.685%0.84579%0.792SS**  trans166.2150.917200000118.1
493K38.5Very low36.8Very low183 Ų183141.7 Ų141.780%0.79679%0.792SS**  trans-139.8156-149.6-140.5-171.4-174.4-155.80122.5
494E38.2Very low36.5Very low121 Ų121137.2 Ų137.257%0.56578%0.782SS**  trans71.5171151.9-97173.5-120.700120.2
495K38.5Very low36.2Very low148 Ų148140.6 Ų140.664%0.64378%0.778SS**  cis-160.7134.216.2-150.8177.8-169.5800116.5
496Q39.7Very low35.6Very low166 Ų166136.2 Ų136.278%0.77677%0.773SS**  trans52.2-173.4157.6-63.4171.6-100.800119.1
497V38.3Very low35.3Very low122 Ų122144 Ų14474%0.73978%0.783SS**  cis-156.5161.73.179.10000113.2
498S38.5Very low34.9Very low109 Ų109142.3 Ų142.376%0.76276%0.764SS**  trans-172.8161.9165-800000111.6
499S34.1Very low34.6Very low118 Ų118145.6 Ų145.683%0.82577%0.772SS**  cis90.7151.49.7-59.90000118.5
500A36.6Very low34.3Very low98 Ų98145.1 Ų145.181%0.8177%0.774SS**  cis171.1152.3-36.900000109.5
501R32.1Very low33.9Very low244 Ų244143.6 Ų143.692%0.92177%0.774SS**  cis-150.4-148.2-20.3-155.2-171.2173.8-176.9-1.6109.7
502S33.6Very low33.7Very low108 Ų108142.6 Ų142.676%0.75577%0.769SS**  trans-164.2155.9-154.958.80000120.7
503G30.8Very low33.4Very low77 Ų77143 Ų14379%0.79476%0.758SS**  trans99.7155.3152.200000118.5
504E32.1Very low33Very low160 Ų160143.4 Ų143.475%0.74876%0.764SS**  cis-157.2-151.2-14.2-134.9-159.615200113.6
505R33.3Very low32.5Very low225 Ų225141.7 Ų141.785%0.84978%0.778SS**  trans-85.3165.5-157-40170.8-161-155.7-2.4118.1
506G28.6Very low31.9Very low75 Ų75138 Ų13877%0.77378%0.782SS**  134.2104.912400000123.4
507R32.4Very low31.5Very low225 Ų225142 Ų14285%0.84979%0.79SS**  trans51.1126.8138.1-91.6-175.8148141.4-1.2126.5
508E29.3Very low31.2Very low121 Ų121147.8 Ų147.857%0.56580%0.798SS**  trans70.2125.5130.5-75.5-178.8-129.500126
509R30.3Very low31Very low223 Ų223150.5 Ų150.584%0.84280%0.799SS**  trans60.8145.5138.6-68.6177.8177.2-163.20.7119.9
510S29.5Very low31.5Very low101 Ų101150.4 Ų150.471%0.70680%0.795SS**  cis-168.2168.3-4.247.70000113.5
511S29.3Very low31.2Very low101 Ų101153 Ų15371%0.70679%0.791SS**  trans85.314015283.20000122
512Q30.1Very low31.1Very low187 Ų187145.6 Ų145.687%0.87478%0.776SS**  trans59.5153.5157.8-64.6-1778.600119.9
513S27.2Very low31.4Very low90 Ų90146.7 Ų146.763%0.62978%0.78SS**  cis-163.2162.9-29.566.50000111.6
514Q30.3Very low31.5Very low193 Ų193148.1 Ų148.190%0.90278%0.778SS**  trans64.3149.2165.7-58-164.221.500120.9
515G27Very low31.4Very low85 Ų85152 Ų15288%0.87679%0.786SS**  trans86.4132.7160.600000116.8
516G27.2Very low31.3Very low69 Ų69150.7 Ų150.771%0.71179%0.786SS**  cis148.1129.3-12.500000113.9
517R31.4Very low31.4Very low252 Ų252157.8 Ų157.895%0.95179%0.79SS**  trans74.4146.5-178.9-49177.5-179.3-168.2-0.2112.6
518R32.2Very low31.4Very low243 Ų243158.3 Ų158.392%0.91779%0.792SS**  cis-137.5154.939.7-62.6177.4173.9-169-3.5115.2
519H32.8Very low31.4Very low166 Ų166157.5 Ų157.577%0.76980%0.8SS**  trans-61.9158159.8-96.9-50.6000111.1
520P45.5Very low31.4Very low115 Ų115152.7 Ų152.775%0.74780%0.8SS**  -86.8177.458.229.6-38.9000116.1
521Q29.7Very low31.5Very low154 Ų154152.6 Ų152.672%0.7280%0.8SS**  cis-144.1166.38.2-139.9-62.189.500110.4
522S30.5Very low31.6Very low88 Ų88159.1 Ų159.162%0.61581%0.809SS**  trans-122.4143.9-170.2-60.80000115.4
523P40.6Very low31.7Very low130 Ų130162.5 Ų162.584%0.84481%0.813SS**  trans-107.8177.5173.640.8-34.7000114.2
524S31.8Very low32.1Very low107 Ų107169.8 Ų169.875%0.74883%0.827SS**  trans-143.2155.3165.596.50000109.3
525R30.8Very low32.1Very low243 Ų243172.8 Ų172.892%0.91783%0.83SS**  cis-143.9171.69.4-118.2165.2-178.2-179.10.5109.4
526K31.1Very low32.4Very low196 Ų196173.3 Ų173.385%0.85282%0.82SS**  trans-155.7152.5-177.3-139.5174.5-171.41710113.4
527R31.3Very low32.6Very low225 Ų225179.1 Ų179.185%0.84983%0.828SS**  trans71.5141.1168.2-69.6178158.3-173.7-8.1116
528R30.9Very low32.5Very low236 Ų236178.2 Ų178.289%0.89183%0.825SS**  61.413461.5-76.5-170.2-178.3-172.81.5112.1
529S30.6Very low32.4Very low104 Ų104172.8 Ų172.873%0.72782%0.819SS**  cis-174.7-178.68.838.60000113.1
530S29.7Very low32.3Very low121 Ų121169.3 Ų169.385%0.84681%0.814SS**  trans93.2155.8170.287.60000116.4
531S31.2Very low31.7Very low100 Ų100173 Ų17370%0.69982%0.821SS**  cis-152.21627.4840000115.8
532R32.6Very low31.6Very low238 Ų238169.1 Ų169.190%0.89882%0.822SS**  trans31.7125.6152.2-65.4176.1172.4174.9-2.3122.3
533R32.6Very low31.5Very low258 Ų258176.7 Ų176.797%0.97484%0.837SS**  -158.4168.1120.9-114.2177.1-175.1-157.80.2112.8
534R33.9Very low31.2Very low242 Ų242178.6 Ų178.691%0.91383%0.834SS**  trans-97.4147.2-172.4-63.3171.3170.8167.8-5.8112.5
535R31.1Very low31.2Very low257 Ų257183.8 Ų183.897%0.9784%0.837SS**  -163.1168.3127.7-111.7172.8-178.3172.80.1111.1
536S33.1Very low31.1Very low95 Ų95176.3 Ų176.366%0.66484%0.836SS**  trans-114.5155.2-16548.60000112.7
537H31Very low31.2Very low191 Ų191178.1 Ų178.188%0.88484%0.837SS**  -160.8168.1121-103.4-72.9000110.6
538R30.3Very low31.2Very low234 Ų234177.1 Ų177.188%0.88383%0.833SS**  trans-119.7146-175-65.6172.5170.2174.9-4.9110.6
539T29.8Very low31.2Very low128 Ų128176.3 Ų176.379%0.78583%0.83SS**  trans179.9114.7136.931.10000105.9
540S31Very low31.2Very low94 Ų94176.9 Ų176.966%0.65783%0.834SS**  54.8133.28763.80000113.6
541E31.6Very low31.2Very low193 Ų193176.7 Ų176.790%0.90283%0.833SS**  cis-155.2176.7-3.8-100.7151.8145.700106.6
542G28.3Very low31.1Very low71 Ų71177.4 Ų177.473%0.73284%0.838SS**  cis178.5118.9-6.700000107.6
543R29.2Very low31Very low247 Ų247178 Ų17893%0.93284%0.84SS**  trans-111.3120.5-175.6-83.6-172.4174.6-172-1112.5
544H32.3Very low30.9Very low170 Ų170171 Ų17179%0.78783%0.831SS**  trans-137.1150.4161.7-93.533000108.4
545R32.3Very low30.8Very low216 Ų216165.4 Ų165.482%0.81583%0.829SS**  cis175.389-24.2-121-176.8174.4-170.11.5104.3
546G29.4Very low31Very low86 Ų86158.6 Ų158.689%0.88782%0.821SS**  trans-103.211817100000110.4
547R33.7Very low31Very low234 Ų234165.8 Ų165.888%0.88383%0.833SS**  trans-114.6130.3173.8-84.7177.6153-176-5.6109.5
548R30.6Very low30.9Very low205 Ų205160.6 Ų160.677%0.77483%0.831SS**  159.4124.9115.4-89.1173.9-178.7-162.91.5112.2
549R30.2Very low31Very low218 Ų218160.3 Ų160.382%0.82383%0.83SS**  trans60.2156.8139.8-55.5176.7175.8174.1-4.3116.2
550S31.2Very low31.1Very low116 Ų116159.9 Ų159.981%0.81183%0.833SS**  cis-133.3170.811.2-63.60000111.6
551S29.8Very low31.2Very low118 Ų118163 Ų16383%0.82584%0.841SS**  trans-89.8141.3178.253.40000113.7
552S29.4Very low31.3Very low115 Ų115159.5 Ų159.580%0.80484%0.838SS**  trans-135.9136145.954.60000109.3
553R30.3Very low31.6Very low249 Ų249161.7 Ų161.794%0.9484%0.842SS**  trans-117.9120.5175-80.2179169.4174-4.2107.9
554S30.8Very low31.9Very low111 Ų111155.5 Ų155.578%0.77684%0.837SS**  trans-125.883.1174.140.90000110.1S556S554-S556 PolarHBondContact O-N 3.14Å
555S31.1Very low31.8Very low126 Ų126151 Ų15188%0.88184%0.836SS**  trans-76111.8172.3550000110.5
556S34.8Very low31.9Very low113 Ų113151.9 Ų151.979%0.7984%0.84SS**  trans-114.5134167.456.90000110.3S554 G558S554-S556 PolarHBondContact O-N 3.14Å; S556-G558 PolarHBondContact O-N 3.46Å
557R33.1Very low32Very low246 Ų246153.2 Ų153.293%0.92884%0.835SS**  trans-88.2101.8-179.7-74.9171.7165161.8-8.3109.3R559R557-R559 PolarHBondContact O-N 3.39Å
558G30Very low31.9Very low82 Ų82150.8 Ų150.885%0.84583%0.834SS**PPolyproline II helixtrans-62.6116.5168.800000110.7S556S556-G558 PolarHBondContact O-N 3.46Å
559R32.5Very low32.2Very low228 Ų228146.6 Ų146.686%0.8684%0.836SS**PPolyproline II helixtrans-81.5123.7173.8-72.8-178.3173.6-177-2.2109.5R557 L561R557-R559 PolarHBondContact O-N 3.39Å; R559-L561 PolarHBondContact O-N 3.22Å
560S31.7Very low32.3Very low120 Ų120148.4 Ų148.484%0.83984%0.843SS**PPolyproline II helixtrans-69.3119.4166.642.50000110.1
561L33.6Very low32.3Very low159 Ų159146.5 Ų146.583%0.83284%0.841SS**  trans-117.9109.8170-73.9176.6000109.3R559R559-L561 PolarHBondContact O-N 3.22Å
562S34Very low32.5Very low120 Ų120152.8 Ų152.884%0.83985%0.847SS**  trans-85.8106.617451.40000110.5
563S32.9Very low32.6Very low116 Ų116153 Ų15381%0.81185%0.848SS**  trans-93.196.3175.7420000111.9G565S563-G565 PolarHBondContact O-N 3.47Å
564S36.6Very low32.7Very low118 Ų118150.3 Ų150.383%0.82585%0.846SS**  trans-77.180.6176.545.90000112.8R566S564-R566 PolarHBondContact O-N 3.33Å; S564-R566 VanDerWaalsContact O-N 3.12Å
565G29.1Very low32.7Very low75 Ų75148.5 Ų148.577%0.77385%0.845SS**  trans-78.683.517700000114.4S563S563-G565 PolarHBondContact O-N 3.47Å
566R34.9Very low32.7Very low234 Ų234154.1 Ų154.188%0.88385%0.847SS**  trans-87.3112.8166.1-86.8-171173.2-168.2-0.2110.9S564S564-R566 PolarHBondContact O-N 3.33Å; S564-R566 VanDerWaalsContact O-N 3.12Å
567S31.5Very low32.6Very low114 Ų114153.3 Ų153.380%0.79784%0.842SS**  trans-110.2115.6171.9-59.30000110.8
568H32.5Very low32.6Very low183 Ų183151.2 Ų151.285%0.84784%0.842SS**  trans-93.5113.3168.8-82.8-13.5000110.2
569S35.6Very low32.8Very low117 Ų117158.9 Ų158.982%0.81885%0.845SS**  trans-98.3119168.344.60000110.5
570R33.8Very low32.9Very low256 Ų256159.7 Ų159.797%0.96685%0.848SS**  trans-87.6104.2170.7-76.3178.4169175.4-3.3109.3
571G29.8Very low32.9Very low76 Ų76165.2 Ų165.278%0.78485%0.852SS**  trans-102.8127.8167.900000111
572R34Very low32.8Very low250 Ų250161.2 Ų161.294%0.94385%0.85SS**  trans-14987.7-179-164-168.8-160-146.77.7113
573S31.2Very low32.8Very low119 Ų119167.4 Ų167.483%0.83286%0.855SS**  trans-159.3153.1157.741.80000113.5
574Q33.8Very low32.7Very low193 Ų193173.2 Ų173.290%0.90286%0.859SS**  trans-33.9161.3173.6-61.3155.8-6.100117.1
575G30.6Very low32.5Very low73 Ų73179.1 Ų179.175%0.75386%0.863SS**  cis137.8103.8100000113.3
576R31.1Very low32.7Very low245 Ų245180.4 Ų180.493%0.92586%0.861SS**  trans-151.1152168.9-75.8-169.9-178.9-166.81.8108.2
577S31.6Very low32.6Very low96 Ų96178 Ų17867%0.67186%0.857SS**  cis-170.4124.7-21.949.60000108.5
578H33.8Very low32.7Very low201 Ų201178.7 Ų178.793%0.93185%0.851SS**  trans-136.7129.7168.4-93.8-81000112.4
579R34.7Very low32.7Very low244 Ų244180.2 Ų180.292%0.92185%0.851SS**  trans-76.5140.9174.2-62.1170.4172.6168.1-5110.1
580R33.5Very low32.6Very low245 Ų245185 Ų18593%0.92585%0.851SS**  trans-154.4157.3140.9-113170.7-169.8-158.11111.2
581Y33.6Very low32.5Very low235 Ų235177 Ų17792%0.92283%0.834SS**  trans-71.9147.8-167.5-68.8-96.5000113.1
582G29.9Very low32.6Very low76 Ų76181.8 Ų181.878%0.78484%0.836SS**  trans-100.3156.5167.700000112.5
583R33.5Very low32.5Very low250 Ų250174.6 Ų174.694%0.94382%0.824SS**  trans-147113.6169.3-134.5-178.8-171.1-153.23.2113.1
584R32.6Very low32.5Very low238 Ų238180.1 Ų180.190%0.89883%0.827SS**  trans1.8125.7160.4-59.8175.4174.1-175.6-3.5119.9
585R32.3Very low32.5Very low241 Ų241179.7 Ų179.791%0.90982%0.824SS**  -166.7135.1116.1-101.2168.8175.1179.6-2.4107.4
586S31.8Very low32.6Very low103 Ų103180.8 Ų180.872%0.7282%0.82SS**  61.7130.782.7-1530000111.5
587K33.9Very low32.7Very low184 Ų184180 Ų18080%0.882%0.817SS**  cis-152.2-179.827.7-155.6160.2-178.2-1710113.2
588D33.6Very low32.9Very low127 Ų127185.8 Ų185.868%0.67982%0.824SS**  trans-57.9161.3-172.2-44-79.6000116.2
589Y33.1Very low32.8Very low215 Ų215187.2 Ų187.284%0.84382%0.823SS**  -164.6157.9111.9-116.1-89.4000114
590R33Very low32.8Very low219 Ų219186.2 Ų186.283%0.82682%0.82SS**  trans-60.7169177.5-70.2171.6177.3176.1-2.5114.2
591S31.6Very low32.8Very low87 Ų87185.3 Ų185.361%0.60882%0.816SS**  cis178.1-172.2-21.962.20000109.2
592H31.3Very low32.7Very low177 Ų177181.2 Ų181.282%0.81981%0.805SS**  trans74.8149.3174.2-68.562.1000117.1
593S32.3Very low32.9Very low99 Ų99182.4 Ų182.469%0.69280%0.801SS**  cis-162.9141.4-23.453.50000113.1
594R32Very low33Very low235 Ų235177.6 Ų177.689%0.88779%0.794SS**  trans12.8121.1153-59.2176.7178.9-179.4-0.6119.2
595H32Very low33.2Very low184 Ų184170.9 Ų170.985%0.85278%0.784SS**  -146.2156.8114.9-127.471.5000113.4
596S33Very low33.5Very low96 Ų96170.7 Ų170.767%0.67178%0.783SS**  trans-128.6145.4-177.9174.60000109.6
597R34.1Very low33.6Very low228 Ų228169.1 Ų169.186%0.8678%0.783SS**  trans-157.3109.6153-108.1158.5-158.4-1522.6110.5
598R34.9Very low33.9Very low217 Ų217172.4 Ų172.482%0.81979%0.79SS**  trans-67146.5159.5-77.3175.3168.6168.7-3.5108.7
599Y32.5Very low34.2Very low232 Ų232171.5 Ų171.591%0.9179%0.794SS**  trans-137.4133.7130.6-96.3-80.2000109.9
600R35Very low34.7Very low223 Ų223170.6 Ų170.684%0.84280%0.797SS**  trans-105.4147.1160.7-79.9178.1167.1177.3-5.9106.5
601R32.3Very low35.6Very low226 Ų226164.9 Ų164.985%0.85379%0.791SS**  -170.6165.5122.5-108-178.2169.5176.3-1.3112.3
602H32.5Very low36.4Very low149 Ų149172.4 Ų172.469%0.6981%0.806SS**  trans-6.7130.1164.5-61.8-66.3000117.5
603S33.8Very low37.2Very low100 Ų100167.3 Ų167.370%0.69980%0.802SS**  66.1115.950.484.40000113.8
604D34.5Very low38Very low150 Ų150175.5 Ų175.580%0.80283%0.829SS**  trans-144.9158.5151.8-155-11.8000109.5
605S36.8Very low38.3Very low97 Ų97172.6 Ų172.668%0.67883%0.826SS**  trans-144.4110.9-166.957.80000112.4
606R39.9Very low38.6Very low237 Ų237171.9 Ų171.989%0.89482%0.824SS**  trans-154.3141.3155.4-83.3112.3-176.6-134.20.8107.3
607G34.5Very low38.9Very low70 Ų70176.2 Ų176.272%0.72283%0.833SS**  cis109.584.93.800000111.9
608R39.3Very low39.2Very low252 Ų252173.1 Ų173.195%0.95183%0.831SS**  trans-155.9102.1164.6-111.9178.2-170.2-141.9-0.4111.2
609S40.1Very low39.5Very low108 Ų108170.4 Ų170.476%0.75583%0.832SS**  trans-86.2145.1158.647.90000109.7
610H44.3Very low39.9Very low196 Ų196166.3 Ų166.391%0.90783%0.827SS**  trans-146.3156.4155.4-111.448.8000109.6
611S49.8Very low40.3Very low100 Ų100162.2 Ų162.270%0.69983%0.826SS**  trans-149.5173.7-16660.50000111.4
612R49.7Very low40.9Very low244 Ų244157.3 Ų157.392%0.92182%0.824SS**  trans73.1141.7-171.7-49.3174.1177.1-176.9-3.2113
613G47.8Very low41.6Very low71 Ų71158 Ų15873%0.73284%0.835SS**  cis120.7114.4-9.300000113.5
614H48.5Very low42.3Very low271 Ų271163.3 Ų163.3100%1.25585%0.847SS**  trans-156.90155.8-111.8-64000108.5

Retrieved 614 of 614 residues in 154.2 ms (Link to these results)

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