A0A077Z4Y4_TRITR Loading...

DNAJC9 HTH domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Y4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 211 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
1M67.9Low81.5Confident93 Ų9398 Ų9846%0.45851%0.513SS..  0115.50-166.8-178.6-176.400108.9L3 F59 L62M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 HydrophobicContact CE-CD1 3.91Å; M1-L3 HydrophobicContact CE-CD2 4.2Å; M1-L3 HydrophobicContact CE-CG 4.11Å; M1-L3 HydrophobicContact CG-CD1 4.35Å; M1-L3 HydrophobicContact CG-CG 4.13Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-L3 HydrophobicContact SD-CD1 3.83Å; M1-L3 HydrophobicContact SD-CG 4.21Å; M1-F59 HydrophobicContact CE-CE1 4.25Å; M1-L62 HydrophobicContact CE-CD1 3.54Å
2Y79.8Confident82.1Confident86 Ų8695.8 Ų95.834%0.33750%0.496SS..  trans-84.158.3-171.2-59.8-73.1000113.2Y7 A15 K18 F19 V22Y2-Y7 WeakPolarHBondContact CD1-OH 3.44Å; Y2-A15 WeakPolarHBondContact CB-O 3.49Å; Y2-K18 HydrophobicContact CD1-CB 3.82Å; Y2-K18 HydrophobicContact CD1-CD 3.88Å; Y2-K18 HydrophobicContact CD1-CG 4.49Å; Y2-K18 HydrophobicContact CD2-CB 3.65Å; Y2-K18 HydrophobicContact CE1-CB 4.03Å; Y2-K18 HydrophobicContact CE1-CD 3.34Å; Y2-K18 HydrophobicContact CE1-CG 4.3Å; Y2-K18 HydrophobicContact CE2-CB 3.85Å; Y2-K18 HydrophobicContact CE2-CD 4.19Å; Y2-K18 HydrophobicContact CG-CB 3.64Å; Y2-F19 WeakPolarHBondContact O-CB 3.44Å; Y2-F19 WeakPolarHBondContact O-CD2 3.11Å; Y2-V22 HydrophobicContact CD2-CG2 4.33Å; Y2-V22 HydrophobicContact CE2-CG2 4.45Å
3L80.3Confident82.7Confident44 Ų4493.6 Ų93.623%0.2350%0.501CS..  trans-78.7125.5175.9-70.7170.9000109.9M1 G5 K6 Y7 F19M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 HydrophobicContact CE-CD1 3.91Å; M1-L3 HydrophobicContact CE-CD2 4.2Å; M1-L3 HydrophobicContact CE-CG 4.11Å; M1-L3 HydrophobicContact CG-CD1 4.35Å; M1-L3 HydrophobicContact CG-CG 4.13Å; M1-L3 PolarHBondContact O-N 3.33Å; M1-L3 HydrophobicContact SD-CD1 3.83Å; M1-L3 HydrophobicContact SD-CG 4.21Å; L3-G5 PolarHBondContact O-N 3.49Å; L3-G5 VanDerWaalsContact O-N 3.08Å; L3-K6 HydrophobicContact CB-CD 4.41Å; L3-K6 HydrophobicContact CB-CG 4.23Å; L3-K6 PolarHBondContact O-N 3.44Å; L3-Y7 VanDerWaalsContact O-CD2 3.28Å; L3-Y7 WeakPolarHBondContact O-CD2 3.34Å; L3-F19 HydrophobicContact CD2-CE2 4.32Å
4P73.9Confident83.3Confident59 Ų5994.3 Ų94.338%0.38350%0.499SS..G310 helixtrans-63.2-21.6-172.424.1-33.8000113.6K6P4-K6 VanDerWaalsContact C-N 3.3Å; P4-K6 PolarHBondContact O-N 3.34Å
5G81.3Confident83.8Confident78 Ų7888.2 Ų88.280%0.80447%0.468SS*.G310 helixtrans-74.6-12.2175.500000115.2L3L3-G5 PolarHBondContact O-N 3.49Å; L3-G5 VanDerWaalsContact O-N 3.08Å
6K82.3Confident84.2Confident152 Ų15294.2 Ų94.266%0.66148%0.482SS*.G310 helixtrans-93.1-8.5-177.3-65.7-167.9174.6-169.20114.3L3 P4L3-K6 HydrophobicContact CB-CD 4.41Å; L3-K6 HydrophobicContact CB-CG 4.23Å; L3-K6 PolarHBondContact O-N 3.44Å; P4-K6 VanDerWaalsContact C-N 3.3Å; P4-K6 PolarHBondContact O-N 3.34Å
7Y83.9Confident84.6Confident72 Ų7297.7 Ų97.728%0.28249%0.493SS..SBendtrans-110.9146.4-172.2-65.3-89.9000111.6Y2 L3 K11 K12 A15Y2-Y7 WeakPolarHBondContact CD1-OH 3.44Å; L3-Y7 VanDerWaalsContact O-CD2 3.28Å; L3-Y7 WeakPolarHBondContact O-CD2 3.34Å; Y7-K11 HydrophobicContact CD1-CB 4.23Å; Y7-K12 WeakPolarHBondContact O-CE 3.32Å; Y7-K12 WeakPolarHBondContact O-CG 3.16Å; Y7-A15 HydrophobicContact CD1-CB 4.42Å; Y7-A15 HydrophobicContact CD2-CB 3.52Å; Y7-A15 HydrophobicContact CE2-CB 3.77Å; Y7-A15 HydrophobicContact CG-CB 3.89Å
8E85.9Confident85.1Confident146 Ų14696.2 Ų96.268%0.68248%0.483SS*.  trans-59151167.3-170.8173.1-165.900110.8S10 K11 K12E8-S10 PolarHBondContact O-N 3.29Å; E8-S10 VanDerWaalsContact O-N 3.1Å; E8-K11 PolarHBondContact O-N 3.48Å; E8-K12 PolarHBondContact O-N 3.29Å
9E86.3Confident85.4Confident140 Ų14093.5 Ų93.565%0.65447%0.468SS*.Hα-helixtrans-51.2-40.7-171.5-159.661.8-136.200113K11 K12E9-K11 VanDerWaalsContact C-N 3.25Å; E9-K11 PolarHBondContact O-N 2.9Å; E9-K12 PolarHBondContact O-N 3.18Å; E9-K12 WeakPolarHBondContact OE2-CE 3.29Å; E9-K12 IonicContact OE2-NZ 3.5Å; E9-K12 PolarHBondContact OE2-NZ 3.48Å
10S86.3Confident85.6Confident92 Ų9292.2 Ų92.264%0.64346%0.462SS*.Hα-helixtrans-58.5-32.6177.759.60000113.8E8E8-S10 PolarHBondContact O-N 3.29Å; E8-S10 VanDerWaalsContact O-N 3.1Å
11K88.2Confident85.9Confident116 Ų11693.2 Ų93.250%0.50447%0.468SS..Hα-helixtrans-99.7-8.5-177-65.3-177.6-176.9174.60113.4Y7 E8 E9 A13 E14 A15Y7-K11 HydrophobicContact CD1-CB 4.23Å; E8-K11 PolarHBondContact O-N 3.48Å; E9-K11 VanDerWaalsContact C-N 3.25Å; E9-K11 PolarHBondContact O-N 2.9Å; K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 3.37Å; K11-E14 PolarHBondContact O-N 3.49Å; K11-A15 WeakPolarHBondContact O-CB 3.35Å; K11-A15 PolarHBondContact O-N 3Å
12K89.5Confident87Confident71 Ų7191.9 Ų91.931%0.30947%0.466SS..Hα-helixtrans-61.2-40.4-178.1-75.3-175.4-174.8169.20112.8Y7 E8 E9 E14 A15 R16Y7-K12 WeakPolarHBondContact O-CE 3.32Å; Y7-K12 WeakPolarHBondContact O-CG 3.16Å; E8-K12 PolarHBondContact O-N 3.29Å; E9-K12 PolarHBondContact O-N 3.18Å; E9-K12 WeakPolarHBondContact OE2-CE 3.29Å; E9-K12 IonicContact OE2-NZ 3.5Å; E9-K12 PolarHBondContact OE2-NZ 3.48Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-E14 PolarHBondContact O-N 3.36Å; K12-A15 PolarHBondContact O-N 3.21Å; K12-R16 VanDerWaalsContact O-CB 3.28Å; K12-R16 WeakPolarHBondContact O-CB 3.48Å; K12-R16 PolarHBondContact O-N 3.44Å
13A89.7Confident87.4Confident68 Ų6888 Ų8856%0.56245%0.451SS*.Hα-helixtrans-62.1-43.5179.500000111.8K11 R16 K17K11-A13 VanDerWaalsContact C-N 3.34Å; K11-A13 PolarHBondContact O-N 3.37Å; A13-R16 PolarHBondContact O-N 3.25Å; A13-K17 WeakPolarHBondContact O-CG 3.31Å; A13-K17 PolarHBondContact O-N 3.24Å; A13-K17 VanDerWaalsContact O-N 3.16Å
14E90.3Very high87.8Confident103 Ų10389.3 Ų89.348%0.48146%0.455SS..Hα-helixtrans-67.8-45.4176.7-167.3-169164.500111.4K11 K12 R16 K17 K18K11-E14 PolarHBondContact O-N 3.49Å; K12-E14 VanDerWaalsContact C-N 3.35Å; K12-E14 PolarHBondContact O-N 3.36Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.02Å; E14-K17 PolarHBondContact O-N 3.29Å; E14-K18 WeakPolarHBondContact O-CG 3.48Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.49Å; E14-K18 IonicContact OE1-NZ 2.62Å; E14-K18 PolarHBondContact OE1-NZ 3.43Å
15A91.2Very high88.6Confident3 Ų388.7 Ų88.73%0.02546%0.455CS..Hα-helixtrans-59.2-39.5176.100000111.7Y2 Y7 K11 K12 K18 F19Y2-A15 WeakPolarHBondContact CB-O 3.49Å; Y7-A15 HydrophobicContact CD1-CB 4.42Å; Y7-A15 HydrophobicContact CD2-CB 3.52Å; Y7-A15 HydrophobicContact CE2-CB 3.77Å; Y7-A15 HydrophobicContact CG-CB 3.89Å; K11-A15 WeakPolarHBondContact O-CB 3.35Å; K11-A15 PolarHBondContact O-N 3Å; K12-A15 PolarHBondContact O-N 3.21Å; A15-K18 PolarHBondContact O-N 3.44Å; A15-F19 WeakPolarHBondContact O-CB 3.49Å; A15-F19 PolarHBondContact O-N 2.99Å
16R89.6Confident89Confident184 Ų18487 Ų8769%0.69443%0.425SS*.Hα-helixtrans-65.2-41.1177.7-162.1176.1-170.5-172.22.1112.1K12 A13 E14 F19 D20K12-R16 VanDerWaalsContact O-CB 3.28Å; K12-R16 WeakPolarHBondContact O-CB 3.48Å; K12-R16 PolarHBondContact O-N 3.44Å; A13-R16 PolarHBondContact O-N 3.25Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.02Å; R16-F19 PolarHBondContact O-N 3.5Å; R16-D20 WeakPolarHBondContact O-CB 3.47Å; R16-D20 PolarHBondContact O-N 2.99Å
17K91.7Very high89.3Confident154 Ų15479.8 Ų79.867%0.6739%0.394SS*.Hα-helixtrans-63.3-45173.2-71179.7-178.3-1770111.6A13 E14 F19 D20 L21A13-K17 WeakPolarHBondContact O-CG 3.31Å; A13-K17 PolarHBondContact O-N 3.24Å; A13-K17 VanDerWaalsContact O-N 3.16Å; E14-K17 PolarHBondContact O-N 3.29Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 3.02Å; K17-D20 PolarHBondContact O-N 3Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.89Å
18K92.9Very high89.5Confident71 Ų7176.5 Ų76.531%0.30938%0.382SS..Hα-helixtrans-64.7-38.7177.3-69.1-177.8-176.1172.10112Y2 E14 A15 L21 V22Y2-K18 HydrophobicContact CD1-CB 3.82Å; Y2-K18 HydrophobicContact CD1-CD 3.88Å; Y2-K18 HydrophobicContact CD1-CG 4.49Å; Y2-K18 HydrophobicContact CD2-CB 3.65Å; Y2-K18 HydrophobicContact CE1-CB 4.03Å; Y2-K18 HydrophobicContact CE1-CD 3.34Å; Y2-K18 HydrophobicContact CE1-CG 4.3Å; Y2-K18 HydrophobicContact CE2-CB 3.85Å; Y2-K18 HydrophobicContact CE2-CD 4.19Å; Y2-K18 HydrophobicContact CG-CB 3.64Å; E14-K18 WeakPolarHBondContact O-CG 3.48Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 WeakPolarHBondContact OE1-CE 3.49Å; E14-K18 IonicContact OE1-NZ 2.62Å; E14-K18 PolarHBondContact OE1-NZ 3.43Å; A15-K18 PolarHBondContact O-N 3.44Å; K18-L21 PolarHBondContact O-N 3.23Å; K18-V22 VanDerWaalsContact O-CG2 3.29Å; K18-V22 WeakPolarHBondContact O-CG2 3.2Å; K18-V22 PolarHBondContact O-N 3.42Å
19F90.6Very high89.7Confident45 Ų4573.8 Ų73.820%0.19737%0.371CS..Hα-helixtrans-60.4-51.6173.8-177.4-100.3000111.1Y2 L3 A15 R16 K17 L21 V22 T23 W55Y2-F19 WeakPolarHBondContact O-CB 3.44Å; Y2-F19 WeakPolarHBondContact O-CD2 3.11Å; L3-F19 HydrophobicContact CD2-CE2 4.32Å; A15-F19 WeakPolarHBondContact O-CB 3.49Å; A15-F19 PolarHBondContact O-N 2.99Å; R16-F19 PolarHBondContact O-N 3.5Å; K17-F19 VanDerWaalsContact C-N 3.34Å; K17-F19 PolarHBondContact O-N 3.02Å; F19-L21 VanDerWaalsContact C-N 3.32Å; F19-L21 PolarHBondContact O-N 3.48Å; F19-V22 PolarHBondContact O-N 3.35Å; F19-T23 WeakPolarHBondContact O-CB 3.42Å; F19-T23 PolarHBondContact O-N 2.89Å; F19-T23 PolarHBondContact O-OG1 2.81Å; F19-T23 VanDerWaalsContact O-OG1 3.04Å; F19-W55 HydrophobicContact CE1-CH2 4.1Å; F19-W55 AromaticContact CZ-CH2 3.89Å; F19-W55 HydrophobicContact CZ-CH2 3.89Å; F19-W55 AromaticContact CZ-CZ3 3.99Å; F19-W55 HydrophobicContact CZ-CZ3 3.99Å
20D89.7Confident89.7Confident66 Ų6670.1 Ų70.135%0.35335%0.354SS..Hα-helixtrans-56.6-44.3178.2-178.653.9000112.1R16 K17 T23 K24R16-D20 WeakPolarHBondContact O-CB 3.47Å; R16-D20 PolarHBondContact O-N 2.99Å; K17-D20 PolarHBondContact O-N 3Å; D20-T23 PolarHBondContact O-N 3.03Å; D20-K24 WeakPolarHBondContact O-CB 3.16Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.21Å; D20-K24 VanDerWaalsContact OD1-CE 3.31Å; D20-K24 WeakPolarHBondContact OD1-CE 3.38Å; D20-K24 IonicContact OD1-NZ 2.69Å; D20-K24 VanDerWaalsContact OD2-CE 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.31Å; D20-K24 IonicContact OD2-NZ 3.18Å; D20-K24 PolarHBondContact OD2-NZ 3.44Å
21L92.1Very high89.8Confident114 Ų11467.5 Ų67.560%0.59734%0.336SS*.Hα-helixtrans-61.4-46.9175.9-73.1170.8000112.8K17 K18 F19 T23 K24 A25K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 2.89Å; K18-L21 PolarHBondContact O-N 3.23Å; F19-L21 VanDerWaalsContact C-N 3.32Å; F19-L21 PolarHBondContact O-N 3.48Å; L21-T23 VanDerWaalsContact C-N 3.34Å; L21-K24 PolarHBondContact O-N 3.36Å; L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.86Å
22V90.4Very high89.9Confident66 Ų6666.7 Ų66.740%0.434%0.337SS..Hα-helixtrans-65.3-39.6178.61720000111Y2 K18 F19 A25 F26Y2-V22 HydrophobicContact CD2-CG2 4.33Å; Y2-V22 HydrophobicContact CE2-CG2 4.45Å; K18-V22 VanDerWaalsContact O-CG2 3.29Å; K18-V22 WeakPolarHBondContact O-CG2 3.2Å; K18-V22 PolarHBondContact O-N 3.42Å; F19-V22 PolarHBondContact O-N 3.35Å; V22-A25 PolarHBondContact O-N 3.26Å; V22-F26 WeakPolarHBondContact O-CB 3.34Å; V22-F26 PolarHBondContact O-N 3.01Å
23T88.5Confident89.9Confident5 Ų571 Ų713%0.03136%0.358CS..Hα-helixtrans-62.1-47.3175.5-61.20000110.8F19 D20 L21 A25 F26 V27 L49 F54 W55F19-T23 WeakPolarHBondContact O-CB 3.42Å; F19-T23 PolarHBondContact O-N 2.89Å; F19-T23 PolarHBondContact O-OG1 2.81Å; F19-T23 VanDerWaalsContact O-OG1 3.04Å; D20-T23 PolarHBondContact O-N 3.03Å; L21-T23 VanDerWaalsContact C-N 3.34Å; T23-A25 PolarHBondContact O-N 2.98Å; T23-F26 PolarHBondContact O-N 3.44Å; T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.47Å; T23-V27 PolarHBondContact O-N 2.81Å; T23-L49 HydrophobicContact CG2-CD1 3.66Å; T23-F54 HydrophobicContact CG2-CE1 4.47Å; T23-W55 HydrophobicContact CG2-CH2 3.87Å; T23-W55 HydrophobicContact CG2-CZ2 4.34Å
24K89.1Confident89.9Confident70 Ų7070.7 Ų70.730%0.30434%0.343SS..Hα-helixtrans-60.7-42.9175.9-73.6169.3176.1167.90112.5D20 L21 F26 V27 A28 L46D20-K24 WeakPolarHBondContact O-CB 3.16Å; D20-K24 VanDerWaalsContact O-CG 3.3Å; D20-K24 WeakPolarHBondContact O-CG 3.35Å; D20-K24 PolarHBondContact O-N 3.21Å; D20-K24 VanDerWaalsContact OD1-CE 3.31Å; D20-K24 WeakPolarHBondContact OD1-CE 3.38Å; D20-K24 IonicContact OD1-NZ 2.69Å; D20-K24 VanDerWaalsContact OD2-CE 3.31Å; D20-K24 WeakPolarHBondContact OD2-CE 3.31Å; D20-K24 IonicContact OD2-NZ 3.18Å; D20-K24 PolarHBondContact OD2-NZ 3.44Å; L21-K24 PolarHBondContact O-N 3.36Å; K24-F26 VanDerWaalsContact C-N 3.33Å; K24-F26 PolarHBondContact O-N 3.39Å; K24-V27 PolarHBondContact O-N 2.86Å; K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 3.46Å; K24-L46 HydrophobicContact CG-CD2 4.21Å
25A90.7Very high90Very high47 Ų4770.4 Ų70.439%0.38834%0.337SS..Hα-helixtrans-61.4-43.1175.600000111.5L21 V22 T23 A28 L29L21-A25 WeakPolarHBondContact O-CB 3.36Å; L21-A25 PolarHBondContact O-N 2.86Å; V22-A25 PolarHBondContact O-N 3.26Å; T23-A25 PolarHBondContact O-N 2.98Å; A25-A28 PolarHBondContact O-N 3.29Å; A25-L29 WeakPolarHBondContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 2.95Å
26F89.5Confident90.1Very high42 Ų4274.8 Ų74.818%0.18436%0.36CS..Hα-helixtrans-63.2-46.4175.4-176-87.9000111.6V22 T23 K24 A28 L29 H30 F54 Y58V22-F26 WeakPolarHBondContact O-CB 3.34Å; V22-F26 PolarHBondContact O-N 3.01Å; T23-F26 PolarHBondContact O-N 3.44Å; K24-F26 VanDerWaalsContact C-N 3.33Å; K24-F26 PolarHBondContact O-N 3.39Å; F26-A28 VanDerWaalsContact C-N 3.28Å; F26-A28 PolarHBondContact O-N 3Å; F26-L29 PolarHBondContact O-N 3.34Å; F26-H30 HydrophobicContact CD1-CB 4.01Å; F26-H30 HydrophobicContact CD2-CB 4.42Å; F26-H30 HydrophobicContact CE1-CB 3.8Å; F26-H30 AromaticContact CE1-CG 3.65Å; F26-H30 HydrophobicContact CE2-CB 4.21Å; F26-H30 AromaticContact CE2-ND1 3.82Å; F26-H30 HydrophobicContact CG-CB 4.34Å; F26-H30 HydrophobicContact CZ-CB 3.9Å; F26-H30 AromaticContact CZ-CE1 4Å; F26-H30 AromaticContact CZ-CG 3.47Å; F26-H30 VanDerWaalsContact CZ-CG 3.47Å; F26-H30 AromaticContact CZ-ND1 3.45Å; F26-H30 WeakPolarHBondContact CZ-ND1 3.48Å; F26-H30 WeakPolarHBondContact O-CB 3.42Å; F26-H30 PolarHBondContact O-N 3.45Å; F26-F54 AromaticContact CD1-CE2 3.65Å; F26-F54 HydrophobicContact CD1-CE2 3.65Å; F26-F54 AromaticContact CD1-CZ 3.6Å; F26-F54 HydrophobicContact CD1-CZ 3.6Å; F26-F54 AromaticContact CE1-CE2 3.78Å; F26-F54 HydrophobicContact CE1-CE2 3.78Å; F26-F54 HydrophobicContact CE1-CZ 4.04Å; F26-Y58 HydrophobicContact CB-CD2 4.17Å; F26-Y58 HydrophobicContact CB-CE2 4.08Å; F26-Y58 AromaticContact CD1-CD2 3.51Å; F26-Y58 HydrophobicContact CD1-CD2 3.51Å; F26-Y58 HydrophobicContact CD1-CE2 4.27Å; F26-Y58 HydrophobicContact CD1-CG 4.39Å; F26-Y58 AromaticContact CD2-CD2 3.75Å; F26-Y58 HydrophobicContact CD2-CD2 3.75Å; F26-Y58 HydrophobicContact CD2-CE2 4.05Å; F26-Y58 AromaticContact CE1-CD2 3.7Å; F26-Y58 HydrophobicContact CE1-CD2 3.7Å; F26-Y58 HydrophobicContact CE1-CG 4.29Å; F26-Y58 AromaticContact CE2-CD2 3.94Å; F26-Y58 HydrophobicContact CE2-CD2 3.94Å; F26-Y58 AromaticContact CG-CD2 3.52Å; F26-Y58 HydrophobicContact CG-CD2 3.52Å; F26-Y58 AromaticContact CG-CE2 3.87Å; F26-Y58 HydrophobicContact CG-CE2 3.87Å; F26-Y58 AromaticContact CZ-CD2 3.91Å; F26-Y58 HydrophobicContact CZ-CD2 3.91Å
27V88.4Confident90.1Very high0 Ų068.5 Ų68.50%034%0.341CS..Hα-helixtrans-53.2-47175.5171.20000111.3T23 K24 R34 I44 D45 L46 L49 F54T23-V27 VanDerWaalsContact O-CG2 3.29Å; T23-V27 WeakPolarHBondContact O-CG2 3.47Å; T23-V27 PolarHBondContact O-N 2.81Å; K24-V27 PolarHBondContact O-N 2.86Å; V27-R34 WeakPolarHBondContact O-CD 3.39Å; V27-I44 HydrophobicContact CG1-CG2 4.34Å; V27-D45 VanDerWaalsContact CG1-O 3.27Å; V27-D45 WeakPolarHBondContact CG1-O 3.49Å; V27-L46 HydrophobicContact CG1-CD2 4.2Å; V27-L49 HydrophobicContact CG2-CD1 3.78Å; V27-F54 HydrophobicContact CB-CE2 4.37Å; V27-F54 HydrophobicContact CB-CZ 4.37Å; V27-F54 HydrophobicContact CG2-CE1 4.06Å; V27-F54 HydrophobicContact CG2-CE2 3.63Å; V27-F54 HydrophobicContact CG2-CZ 3.28Å
28A89.1Confident90.2Very high4 Ų465.7 Ų65.73%0.03333%0.326CS..Hα-helixtrans-69.3-39.9-177.400000112.9K24 A25 F26 R34 R35 Y38 I44K24-A28 WeakPolarHBondContact O-CB 3.47Å; K24-A28 PolarHBondContact O-N 3.46Å; A25-A28 PolarHBondContact O-N 3.29Å; F26-A28 VanDerWaalsContact C-N 3.28Å; F26-A28 PolarHBondContact O-N 3Å; A28-R34 CarbonylContact O-C 3.14Å; A28-R34 WeakPolarHBondContact O-CB 3.21Å; A28-R35 VanDerWaalsContact O-CA 3.24Å; A28-R35 WeakPolarHBondContact O-CA 3.14Å; A28-R35 PolarHBondContact O-N 3.07Å; A28-Y38 HydrophobicContact CB-CD2 4.47Å; A28-Y38 HydrophobicContact CB-CG 4.35Å; A28-I44 HydrophobicContact CB-CD1 4.48Å; A28-I44 HydrophobicContact CB-CG1 4.17Å; A28-I44 HydrophobicContact CB-CG2 4.11Å
29L90.5Very high90.2Very high88 Ų8868.3 Ų68.346%0.46134%0.343SS..Hα-helixtrans-100.5-14.6-168-62.3176.6000114.6A25 F26 R35 Y38A25-L29 WeakPolarHBondContact O-CB 3.29Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 2.95Å; F26-L29 PolarHBondContact O-N 3.34Å; L29-R35 HydrophobicContact CD2-CG 4.11Å; L29-Y38 HydrophobicContact CD2-CD1 4.44Å
30H85.8Confident90.3Very high63 Ų6375.2 Ų75.229%0.29237%0.368SS..Hα-helixtrans-71-43-169.8176.358.4000113.6F26 M57 N61F26-H30 HydrophobicContact CD1-CB 4.01Å; F26-H30 HydrophobicContact CD2-CB 4.42Å; F26-H30 HydrophobicContact CE1-CB 3.8Å; F26-H30 AromaticContact CE1-CG 3.65Å; F26-H30 HydrophobicContact CE2-CB 4.21Å; F26-H30 AromaticContact CE2-ND1 3.82Å; F26-H30 HydrophobicContact CG-CB 4.34Å; F26-H30 HydrophobicContact CZ-CB 3.9Å; F26-H30 AromaticContact CZ-CE1 4Å; F26-H30 AromaticContact CZ-CG 3.47Å; F26-H30 VanDerWaalsContact CZ-CG 3.47Å; F26-H30 AromaticContact CZ-ND1 3.45Å; F26-H30 WeakPolarHBondContact CZ-ND1 3.48Å; F26-H30 WeakPolarHBondContact O-CB 3.42Å; F26-H30 PolarHBondContact O-N 3.45Å; H30-M57 WeakPolarHBondContact CD2-CE 3.16Å; H30-M57 WeakPolarHBondContact NE2-CE 3.38Å; H30-M57 WeakPolarHBondContact NE2-CG 3.28Å; H30-M57 PolarHBondContact NE2-SD 3.19Å; H30-N61 PolarHBondContact CE1-ND2 2.96Å; H30-N61 VanDerWaalsContact CE1-ND2 3.34Å
31S87.8Confident90.5Very high38 Ų3875.2 Ų75.227%0.26637%0.37SS..SBendtrans-97139176.165.80000110.5E33 R34 R35S31-E33 PolarHBondContact O-N 3.05Å; S31-R34 PolarHBondContact O-N 3.21Å; S31-R34 WeakPolarHBondContact OG-CB 3.47Å; S31-R34 WeakPolarHBondContact OG-CD 3.27Å; S31-R34 WeakPolarHBondContact OG-CG 3.4Å; S31-R34 PolarHBondContact OG-N 2.83Å; S31-R34 VanDerWaalsContact OG-N 3.12Å; S31-R35 WeakPolarHBondContact O-CB 3.34Å; S31-R35 PolarHBondContact O-N 3.5Å
32D90.2Very high90.4Very high98 Ų9872.2 Ų72.252%0.52437%0.367SS..Hα-helixtrans-54-39.1176.6-64.4-14.8000112.2R35 N36D32-R35 VanDerWaalsContact CG-NH2 3.3Å; D32-R35 PolarHBondContact O-N 2.97Å; D32-R35 IonicContact OD1-CZ 3.26Å; D32-R35 VanDerWaalsContact OD1-CZ 3.26Å; D32-R35 IonicContact OD1-NH1 3.52Å; D32-R35 IonicContact OD1-NH2 2.61Å; D32-R35 PolarHBondContact OD1-NH2 3.42Å; D32-N36 VanDerWaalsContact O-CB 3.32Å; D32-N36 WeakPolarHBondContact O-CB 3.4Å; D32-N36 PolarHBondContact O-N 2.68Å; D32-N36 PolarHBondContact O-ND2 2.96Å; D32-N36 PolarHBondContact O-OD1 3.48Å
33E89.4Confident90.3Very high162 Ų16271.7 Ų71.776%0.75737%0.37SS*.Hα-helixtrans-61.4-54.9176.5-173-176.7175.100112.6S31 R35 N36 N37S31-E33 PolarHBondContact O-N 3.05Å; E33-R35 VanDerWaalsContact C-N 3.29Å; E33-R35 PolarHBondContact O-N 3.42Å; E33-N36 PolarHBondContact O-N 3.46Å; E33-N37 WeakPolarHBondContact O-CB 3.25Å; E33-N37 PolarHBondContact O-N 2.96Å
34R89.7Confident90.3Very high61 Ų6174.9 Ų74.923%0.2339%0.386CS..Hα-helixtrans-62.8-37.1177.2-65.8175.6176.9-170.1-10.8112.2V27 A28 S31 N37 Y38 S47V27-R34 WeakPolarHBondContact O-CD 3.39Å; A28-R34 CarbonylContact O-C 3.14Å; A28-R34 WeakPolarHBondContact O-CB 3.21Å; S31-R34 PolarHBondContact O-N 3.21Å; S31-R34 WeakPolarHBondContact OG-CB 3.47Å; S31-R34 WeakPolarHBondContact OG-CD 3.27Å; S31-R34 WeakPolarHBondContact OG-CG 3.4Å; S31-R34 PolarHBondContact OG-N 2.83Å; S31-R34 VanDerWaalsContact OG-N 3.12Å; R34-N37 PolarHBondContact O-N 3.45Å; R34-Y38 WeakPolarHBondContact O-CB 3.29Å; R34-Y38 PolarHBondContact O-N 2.94Å; R34-S47 PolarHBondContact NH2-O 2.95Å
35R93.2Very high90.1Very high97 Ų9775 Ų7537%0.36639%0.39SS..Hα-helixtrans-62.5-47.2176.8-177.2175.763.5-152-3.1110.2A28 L29 S31 D32 E33 Y38 L39A28-R35 VanDerWaalsContact O-CA 3.24Å; A28-R35 WeakPolarHBondContact O-CA 3.14Å; A28-R35 PolarHBondContact O-N 3.07Å; L29-R35 HydrophobicContact CD2-CG 4.11Å; S31-R35 WeakPolarHBondContact O-CB 3.34Å; S31-R35 PolarHBondContact O-N 3.5Å; D32-R35 VanDerWaalsContact CG-NH2 3.3Å; D32-R35 PolarHBondContact O-N 2.97Å; D32-R35 IonicContact OD1-CZ 3.26Å; D32-R35 VanDerWaalsContact OD1-CZ 3.26Å; D32-R35 IonicContact OD1-NH1 3.52Å; D32-R35 IonicContact OD1-NH2 2.61Å; D32-R35 PolarHBondContact OD1-NH2 3.42Å; E33-R35 VanDerWaalsContact C-N 3.29Å; E33-R35 PolarHBondContact O-N 3.42Å; R35-Y38 PolarHBondContact O-N 2.82Å; R35-L39 HydrophobicContact CG-CD1 4.22Å; R35-L39 WeakPolarHBondContact O-CB 3.42Å; R35-L39 VanDerWaalsContact O-CG 3.25Å; R35-L39 WeakPolarHBondContact O-CG 3.21Å; R35-L39 PolarHBondContact O-N 3.36Å
36N93Very high89.7Confident96 Ų9676.3 Ų76.351%0.51339%0.39SS..Hα-helixtrans-65-39.3177.2-68.7-14.7000111.8D32 E33 L39 R40D32-N36 VanDerWaalsContact O-CB 3.32Å; D32-N36 WeakPolarHBondContact O-CB 3.4Å; D32-N36 PolarHBondContact O-N 2.68Å; D32-N36 PolarHBondContact O-ND2 2.96Å; D32-N36 PolarHBondContact O-OD1 3.48Å; E33-N36 PolarHBondContact O-N 3.46Å; N36-L39 PolarHBondContact O-N 3.33Å; N36-R40 VanDerWaalsContact O-CB 3.31Å; N36-R40 WeakPolarHBondContact O-CB 3.48Å; N36-R40 PolarHBondContact O-N 2.97Å
37N90.7Very high89.2Confident52 Ų5277.3 Ų77.328%0.27840%0.402SS..Hα-helixtrans-63.5-45.8175.5-168.314.5000111.8E33 R34 R40 T41E33-N37 WeakPolarHBondContact O-CB 3.25Å; E33-N37 PolarHBondContact O-N 2.96Å; R34-N37 PolarHBondContact O-N 3.45Å; N37-R40 PolarHBondContact O-N 3.44Å; N37-R40 PolarHBondContact OD1-NH2 2.88Å; N37-T41 WeakPolarHBondContact O-CB 3.4Å; N37-T41 PolarHBondContact O-N 2.89Å; N37-T41 PolarHBondContact O-OG1 2.79Å; N37-T41 WeakPolarHBondContact OD1-CG2 3.31Å; N37-T41 PolarHBondContact OD1-OG1 2.73Å
38Y92.8Very high88.7Confident94 Ų9479.1 Ų79.137%0.36942%0.421SS..Hα-helixtrans-60.8-45175.5175-103.7000111.7A28 L29 R34 R35 R40 G42 I44A28-Y38 HydrophobicContact CB-CD2 4.47Å; A28-Y38 HydrophobicContact CB-CG 4.35Å; L29-Y38 HydrophobicContact CD2-CD1 4.44Å; R34-Y38 WeakPolarHBondContact O-CB 3.29Å; R34-Y38 PolarHBondContact O-N 2.94Å; R35-Y38 PolarHBondContact O-N 2.82Å; Y38-R40 VanDerWaalsContact C-N 3.31Å; Y38-R40 PolarHBondContact O-N 2.8Å; Y38-G42 VanDerWaalsContact O-CA 3.23Å; Y38-G42 WeakPolarHBondContact O-CA 3.36Å; Y38-G42 PolarHBondContact O-N 3.49Å; Y38-I44 HydrophobicContact CD2-CG1 3.74Å; Y38-I44 HydrophobicContact CE2-CD1 4.32Å; Y38-I44 HydrophobicContact CE2-CG1 3.92Å
39L93.7Very high88.1Confident127 Ų12779.9 Ų79.967%0.66542%0.424SS*.Hα-helixtrans-62.9-36.4176.9-71.6173.4000112.7R35 N36R35-L39 HydrophobicContact CG-CD1 4.22Å; R35-L39 WeakPolarHBondContact O-CB 3.42Å; R35-L39 VanDerWaalsContact O-CG 3.25Å; R35-L39 WeakPolarHBondContact O-CG 3.21Å; R35-L39 PolarHBondContact O-N 3.36Å; N36-L39 PolarHBondContact O-N 3.33Å
40R92.6Very high87.6Confident189 Ų18985.8 Ų85.871%0.71344%0.442SS*.Hα-helixtrans-78-36.5-179.2-176.4-178.76284.45.8113.4N36 N37 Y38N36-R40 VanDerWaalsContact O-CB 3.31Å; N36-R40 WeakPolarHBondContact O-CB 3.48Å; N36-R40 PolarHBondContact O-N 2.97Å; N37-R40 PolarHBondContact O-N 3.44Å; N37-R40 PolarHBondContact OD1-NH2 2.88Å; Y38-R40 VanDerWaalsContact C-N 3.31Å; Y38-R40 PolarHBondContact O-N 2.8Å
41T92.9Very high87.5Confident66 Ų6685.3 Ų85.341%0.40544%0.441SS..Hα-helixtrans-117.8-19.1-16863.80000114.5N37 A43N37-T41 WeakPolarHBondContact O-CB 3.4Å; N37-T41 PolarHBondContact O-N 2.89Å; N37-T41 PolarHBondContact O-OG1 2.79Å; N37-T41 WeakPolarHBondContact OD1-CG2 3.31Å; N37-T41 PolarHBondContact OD1-OG1 2.73Å; T41-A43 PolarHBondContact O-N 3.19Å; T41-A43 WeakPolarHBondContact OG1-CB 3.27Å; T41-A43 PolarHBondContact OG1-N 3.03Å; T41-A43 VanDerWaalsContact OG1-N 3.08Å
42G90.4Very high87.4Confident52 Ų5289.2 Ų89.254%0.53646%0.46SS..SBendtrans70.2-2.7-166.400000114.2Y38Y38-G42 VanDerWaalsContact O-CA 3.23Å; Y38-G42 WeakPolarHBondContact O-CA 3.36Å; Y38-G42 PolarHBondContact O-N 3.49Å
43A89.3Confident87.2Confident55 Ų5593 Ų9346%0.45547%0.467SS..  trans-85.9139.5-179.200000111.1T41T41-A43 PolarHBondContact O-N 3.19Å; T41-A43 WeakPolarHBondContact OG1-CB 3.27Å; T41-A43 PolarHBondContact OG1-N 3.03Å; T41-A43 VanDerWaalsContact OG1-N 3.08Å
44I87.7Confident86.9Confident72 Ų7286 Ų8637%0.36943%0.433SS..  trans-102.9115.7173.7-57.4173.7000107.7V27 A28 Y38 L46V27-I44 HydrophobicContact CG1-CG2 4.34Å; A28-I44 HydrophobicContact CB-CD1 4.48Å; A28-I44 HydrophobicContact CB-CG1 4.17Å; A28-I44 HydrophobicContact CB-CG2 4.11Å; Y38-I44 HydrophobicContact CD2-CG1 3.74Å; Y38-I44 HydrophobicContact CE2-CD1 4.32Å; Y38-I44 HydrophobicContact CE2-CG1 3.92Å; I44-L46 HydrophobicContact CG2-CD2 3.7Å; I44-L46 HydrophobicContact CG2-CG 4.3Å; I44-L46 PolarHBondContact O-N 3.29Å
45D83.9Confident86.7Confident73 Ų7386.1 Ų86.139%0.3943%0.434SS..  trans-78.7109.7170.3-178.819.5000110.1V27 S47V27-D45 VanDerWaalsContact CG1-O 3.27Å; V27-D45 WeakPolarHBondContact CG1-O 3.49Å; D45-S47 VanDerWaalsContact C-N 3.29Å; D45-S47 WeakPolarHBondContact OD1-CB 3.41Å; D45-S47 PolarHBondContact OD1-N 2.82Å; D45-S47 PolarHBondContact OD1-OG 2.62Å; D45-S47 VanDerWaalsContact OD1-OG 3.08Å; D45-S47 PolarHBondContact OD2-OG 3.11Å
46L83.2Confident86.4Confident74 Ų7487.4 Ų87.439%0.38744%0.444SS..  trans-896.4176.8-60.4178.2000112.7K24 V27 I44 G48 L49K24-L46 HydrophobicContact CG-CD2 4.21Å; V27-L46 HydrophobicContact CG1-CD2 4.2Å; I44-L46 HydrophobicContact CG2-CD2 3.7Å; I44-L46 HydrophobicContact CG2-CG 4.3Å; I44-L46 PolarHBondContact O-N 3.29Å; L46-G48 PolarHBondContact O-N 3.11Å; L46-L49 HydrophobicContact CD2-CD2 4.49Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.45Å
47S79.6Confident86Confident62 Ų6286.9 Ų86.943%0.43444%0.44SS..THydrogen-bonded Turntrans-55.3135.917377.30000110.1R34 D45 L49R34-S47 PolarHBondContact NH2-O 2.95Å; D45-S47 VanDerWaalsContact C-N 3.29Å; D45-S47 WeakPolarHBondContact OD1-CB 3.41Å; D45-S47 PolarHBondContact OD1-N 2.82Å; D45-S47 PolarHBondContact OD1-OG 2.62Å; D45-S47 VanDerWaalsContact OD1-OG 3.08Å; D45-S47 PolarHBondContact OD2-OG 3.11Å; S47-L49 VanDerWaalsContact C-N 3.29Å; S47-L49 PolarHBondContact O-N 3Å
48G76.7Confident85.7Confident38 Ų3885 Ų8539%0.39243%0.428SS..THydrogen-bonded Turntrans73.96.1-179.100000116.2L46 Y50 D51L46-G48 PolarHBondContact O-N 3.11Å; G48-Y50 PolarHBondContact O-N 3.17Å; G48-D51 VanDerWaalsContact O-CB 3.24Å; G48-D51 WeakPolarHBondContact O-CB 3.45Å; G48-D51 PolarHBondContact O-N 3.41Å
49L77.7Confident85.3Confident21 Ų2184.2 Ų84.211%0.1143%0.427CS..THydrogen-bonded Turntrans-58.9-26.3171.6178.458000112.6T23 V27 L46 S47 F54 W55T23-L49 HydrophobicContact CG2-CD1 3.66Å; V27-L49 HydrophobicContact CG2-CD1 3.78Å; L46-L49 HydrophobicContact CD2-CD2 4.49Å; L46-L49 WeakPolarHBondContact O-CB 3.47Å; L46-L49 PolarHBondContact O-N 3.45Å; S47-L49 VanDerWaalsContact C-N 3.29Å; S47-L49 PolarHBondContact O-N 3Å; L49-F54 HydrophobicContact CD1-CD1 4.02Å; L49-F54 HydrophobicContact CD1-CE1 3.51Å; L49-F54 HydrophobicContact CD1-CZ 4.13Å; L49-W55 HydrophobicContact CD1-CZ2 4.15Å; L49-W55 PolarHBondContact O-NE1 2.8Å
50Y78.7Confident85Confident212 Ų21286.4 Ų86.483%0.83143%0.427SS*.THydrogen-bonded Turntrans-957.7175.7-56.9-74.2000113.4G48G48-Y50 PolarHBondContact O-N 3.17Å
51D84.9Confident84.5Confident52 Ų5281.9 Ų81.928%0.27842%0.417SS..  trans-79.4128.7172.4-172.3-18.8000109.5G48 R53 F54 W55G48-D51 VanDerWaalsContact O-CB 3.24Å; G48-D51 WeakPolarHBondContact O-CB 3.45Å; G48-D51 PolarHBondContact O-N 3.41Å; D51-R53 PolarHBondContact O-N 3.35Å; D51-R53 WeakPolarHBondContact OD1-CB 3.3Å; D51-R53 PolarHBondContact OD1-N 3.46Å; D51-R53 IonicContact OD1-NE 2.73Å; D51-R53 PolarHBondContact OD1-NE 3.17Å; D51-R53 IonicContact OD2-CZ 3.3Å; D51-R53 VanDerWaalsContact OD2-CZ 3.29Å; D51-R53 IonicContact OD2-NE 3.35Å; D51-R53 PolarHBondContact OD2-NE 3.28Å; D51-R53 IonicContact OD2-NH2 3.66Å; D51-R53 PolarHBondContact OD2-NH2 3.38Å; D51-F54 WeakPolarHBondContact O-CB 3.31Å; D51-F54 PolarHBondContact O-N 3.13Å; D51-W55 PolarHBondContact O-N 3.49Å
52D85.7Confident84.1Confident121 Ų12182.2 Ų82.265%0.64742%0.416SS*.Hα-helixtrans-55.9-33.3176.9-71.1-24.5000112.1F54 W55 Q56D52-F54 VanDerWaalsContact C-N 3.31Å; D52-F54 PolarHBondContact O-N 2.9Å; D52-W55 PolarHBondContact O-N 3.14Å; D52-Q56 WeakPolarHBondContact O-CG 3.19Å; D52-Q56 PolarHBondContact O-N 2.94Å
53R84.7Confident83.8Confident178 Ų17886.5 Ų86.567%0.67242%0.417SS*.Hα-helixtrans-63.1-37.2178.6-65-180-65.1178.61.8112.2D51 Q56 M57D51-R53 PolarHBondContact O-N 3.35Å; D51-R53 WeakPolarHBondContact OD1-CB 3.3Å; D51-R53 PolarHBondContact OD1-N 3.46Å; D51-R53 IonicContact OD1-NE 2.73Å; D51-R53 PolarHBondContact OD1-NE 3.17Å; D51-R53 IonicContact OD2-CZ 3.3Å; D51-R53 VanDerWaalsContact OD2-CZ 3.29Å; D51-R53 IonicContact OD2-NE 3.35Å; D51-R53 PolarHBondContact OD2-NE 3.28Å; D51-R53 IonicContact OD2-NH2 3.66Å; D51-R53 PolarHBondContact OD2-NH2 3.38Å; R53-Q56 PolarHBondContact O-N 3.29Å; R53-M57 PolarHBondContact O-N 2.77Å; R53-M57 VanDerWaalsContact O-N 3.11Å
54F83.9Confident83.5Confident14 Ų1492.9 Ų92.96%0.06143%0.434CS..Hα-helixtrans-63.2-47.2176.4169.7-95.1000110.6T23 F26 V27 L49 D51 D52 M57 Y58T23-F54 HydrophobicContact CG2-CE1 4.47Å; F26-F54 AromaticContact CD1-CE2 3.65Å; F26-F54 HydrophobicContact CD1-CE2 3.65Å; F26-F54 AromaticContact CD1-CZ 3.6Å; F26-F54 HydrophobicContact CD1-CZ 3.6Å; F26-F54 AromaticContact CE1-CE2 3.78Å; F26-F54 HydrophobicContact CE1-CE2 3.78Å; F26-F54 HydrophobicContact CE1-CZ 4.04Å; V27-F54 HydrophobicContact CB-CE2 4.37Å; V27-F54 HydrophobicContact CB-CZ 4.37Å; V27-F54 HydrophobicContact CG2-CE1 4.06Å; V27-F54 HydrophobicContact CG2-CE2 3.63Å; V27-F54 HydrophobicContact CG2-CZ 3.28Å; L49-F54 HydrophobicContact CD1-CD1 4.02Å; L49-F54 HydrophobicContact CD1-CE1 3.51Å; L49-F54 HydrophobicContact CD1-CZ 4.13Å; D51-F54 WeakPolarHBondContact O-CB 3.31Å; D51-F54 PolarHBondContact O-N 3.13Å; D52-F54 VanDerWaalsContact C-N 3.31Å; D52-F54 PolarHBondContact O-N 2.9Å; F54-M57 PolarHBondContact O-N 3.42Å; F54-Y58 WeakPolarHBondContact O-CB 3.44Å; F54-Y58 PolarHBondContact O-N 2.88Å
55W85.7Confident83.2Confident64 Ų6497.6 Ų97.624%0.24245%0.452CS..Hα-helixtrans-66.2-39.5178.8-73.9105.3000112.7F19 T23 L49 D51 D52 M57 Y58 F59F19-W55 HydrophobicContact CE1-CH2 4.1Å; F19-W55 AromaticContact CZ-CH2 3.89Å; F19-W55 HydrophobicContact CZ-CH2 3.89Å; F19-W55 AromaticContact CZ-CZ3 3.99Å; F19-W55 HydrophobicContact CZ-CZ3 3.99Å; T23-W55 HydrophobicContact CG2-CH2 3.87Å; T23-W55 HydrophobicContact CG2-CZ2 4.34Å; L49-W55 HydrophobicContact CD1-CZ2 4.15Å; L49-W55 PolarHBondContact O-NE1 2.8Å; D51-W55 PolarHBondContact O-N 3.49Å; D52-W55 PolarHBondContact O-N 3.14Å; W55-M57 VanDerWaalsContact C-N 3.28Å; W55-M57 PolarHBondContact O-N 3.26Å; W55-Y58 AromaticContact CE3-CD1 3.84Å; W55-Y58 HydrophobicContact CE3-CD1 3.84Å; W55-Y58 HydrophobicContact CE3-CG 4.43Å; W55-Y58 AromaticContact CZ3-CD1 3.79Å; W55-Y58 HydrophobicContact CZ3-CD1 3.79Å; W55-Y58 HydrophobicContact CZ3-CE1 4.03Å; W55-Y58 PolarHBondContact O-N 3.5Å; W55-F59 HydrophobicContact CB-CD2 4.37Å; W55-F59 HydrophobicContact CB-CE2 4.33Å; W55-F59 HydrophobicContact CD2-CE2 4.36Å; W55-F59 HydrophobicContact CE3-CD2 4.31Å; W55-F59 AromaticContact CE3-CE2 3.56Å; W55-F59 HydrophobicContact CE3-CE2 3.56Å; W55-F59 AromaticContact CE3-CZ 3.97Å; W55-F59 HydrophobicContact CE3-CZ 3.97Å; W55-F59 HydrophobicContact CZ3-CE2 4.29Å; W55-F59 HydrophobicContact CZ3-CZ 4.24Å; W55-F59 WeakPolarHBondContact O-CD2 3.44Å; W55-F59 PolarHBondContact O-N 3.46Å
56Q86.2Confident83.1Confident123 Ų123100.2 Ų100.258%0.57547%0.465SS*.Hα-helixtrans-56.6-44.2173-73.8-179.726.500111.6D52 R53 R60D52-Q56 WeakPolarHBondContact O-CG 3.19Å; D52-Q56 PolarHBondContact O-N 2.94Å; R53-Q56 PolarHBondContact O-N 3.29Å; Q56-R60 WeakPolarHBondContact O-CB 3.32Å; Q56-R60 PolarHBondContact O-N 2.98Å
57M85.2Confident83.1Confident86 Ų86101.6 Ų101.642%0.42447%0.469SS..Hα-helixtrans-71.2-41.4179.8-168.6158.557.900112.5H30 R53 F54 W55 R60 N61H30-M57 WeakPolarHBondContact CD2-CE 3.16Å; H30-M57 WeakPolarHBondContact NE2-CE 3.38Å; H30-M57 WeakPolarHBondContact NE2-CG 3.28Å; H30-M57 PolarHBondContact NE2-SD 3.19Å; R53-M57 PolarHBondContact O-N 2.77Å; R53-M57 VanDerWaalsContact O-N 3.11Å; F54-M57 PolarHBondContact O-N 3.42Å; W55-M57 VanDerWaalsContact C-N 3.28Å; W55-M57 PolarHBondContact O-N 3.26Å; M57-R60 PolarHBondContact O-N 3.35Å; M57-N61 PolarHBondContact O-N 3.3Å; M57-N61 VanDerWaalsContact O-N 3.11Å; M57-N61 PolarHBondContact O-ND2 2.89Å
58Y83.8Confident83.5Confident11 Ų11100.5 Ų100.54%0.04347%0.467CS..Hα-helixtrans-55.2-52.6172.6178-106.4000111.5F26 F54 W55 N61 L62F26-Y58 HydrophobicContact CB-CD2 4.17Å; F26-Y58 HydrophobicContact CB-CE2 4.08Å; F26-Y58 AromaticContact CD1-CD2 3.51Å; F26-Y58 HydrophobicContact CD1-CD2 3.51Å; F26-Y58 HydrophobicContact CD1-CE2 4.27Å; F26-Y58 HydrophobicContact CD1-CG 4.39Å; F26-Y58 AromaticContact CD2-CD2 3.75Å; F26-Y58 HydrophobicContact CD2-CD2 3.75Å; F26-Y58 HydrophobicContact CD2-CE2 4.05Å; F26-Y58 AromaticContact CE1-CD2 3.7Å; F26-Y58 HydrophobicContact CE1-CD2 3.7Å; F26-Y58 HydrophobicContact CE1-CG 4.29Å; F26-Y58 AromaticContact CE2-CD2 3.94Å; F26-Y58 HydrophobicContact CE2-CD2 3.94Å; F26-Y58 AromaticContact CG-CD2 3.52Å; F26-Y58 HydrophobicContact CG-CD2 3.52Å; F26-Y58 AromaticContact CG-CE2 3.87Å; F26-Y58 HydrophobicContact CG-CE2 3.87Å; F26-Y58 AromaticContact CZ-CD2 3.91Å; F26-Y58 HydrophobicContact CZ-CD2 3.91Å; F54-Y58 WeakPolarHBondContact O-CB 3.44Å; F54-Y58 PolarHBondContact O-N 2.88Å; W55-Y58 AromaticContact CE3-CD1 3.84Å; W55-Y58 HydrophobicContact CE3-CD1 3.84Å; W55-Y58 HydrophobicContact CE3-CG 4.43Å; W55-Y58 AromaticContact CZ3-CD1 3.79Å; W55-Y58 HydrophobicContact CZ3-CD1 3.79Å; W55-Y58 HydrophobicContact CZ3-CE1 4.03Å; W55-Y58 PolarHBondContact O-N 3.5Å; Y58-N61 PolarHBondContact O-N 3.29Å; Y58-L62 HydrophobicContact CD1-CD1 3.7Å; Y58-L62 HydrophobicContact CE1-CD1 3.31Å; Y58-L62 HydrophobicContact CE1-CG 4.43Å; Y58-L62 HydrophobicContact CE2-CD1 4.33Å; Y58-L62 HydrophobicContact CG-CD1 4.35Å; Y58-L62 WeakPolarHBondContact O-CG 3.35Å; Y58-L62 PolarHBondContact O-N 2.96Å
59F85Confident84Confident79 Ų79102.6 Ų102.635%0.34647%0.474SS..Hα-helixtrans-70.7-31.9180-70.2-61.7000113.2M1 W55 N61 L62 Y63M1-F59 HydrophobicContact CE-CE1 4.25Å; W55-F59 HydrophobicContact CB-CD2 4.37Å; W55-F59 HydrophobicContact CB-CE2 4.33Å; W55-F59 HydrophobicContact CD2-CE2 4.36Å; W55-F59 HydrophobicContact CE3-CD2 4.31Å; W55-F59 AromaticContact CE3-CE2 3.56Å; W55-F59 HydrophobicContact CE3-CE2 3.56Å; W55-F59 AromaticContact CE3-CZ 3.97Å; W55-F59 HydrophobicContact CE3-CZ 3.97Å; W55-F59 HydrophobicContact CZ3-CE2 4.29Å; W55-F59 HydrophobicContact CZ3-CZ 4.24Å; W55-F59 WeakPolarHBondContact O-CD2 3.44Å; W55-F59 PolarHBondContact O-N 3.46Å; F59-N61 VanDerWaalsContact C-N 3.28Å; F59-N61 PolarHBondContact O-N 2.88Å; F59-L62 HydrophobicContact CD1-CD1 3.69Å; F59-L62 HydrophobicContact CE1-CD1 4.15Å; F59-L62 PolarHBondContact O-N 3.48Å; F59-Y63 HydrophobicContact CD1-CE2 4.48Å; F59-Y63 WeakPolarHBondContact O-CD2 3.24Å
60R86.4Confident84.4Confident172 Ų172105.3 Ų105.365%0.64949%0.488SS*.Hα-helixtrans-59.9-38.6173.2-169.981.371.495.32.8112Q56 M57Q56-R60 WeakPolarHBondContact O-CB 3.32Å; Q56-R60 PolarHBondContact O-N 2.98Å; M57-R60 PolarHBondContact O-N 3.35Å
61N83.4Confident84.9Confident95 Ų9598.5 Ų98.551%0.50847%0.466SS..Hα-helixtrans-78.7-18.7-179.6-69.3-25.5000113.5H30 M57 Y58 F59H30-N61 PolarHBondContact CE1-ND2 2.96Å; H30-N61 VanDerWaalsContact CE1-ND2 3.34Å; M57-N61 PolarHBondContact O-N 3.3Å; M57-N61 VanDerWaalsContact O-N 3.11Å; M57-N61 PolarHBondContact O-ND2 2.89Å; Y58-N61 PolarHBondContact O-N 3.29Å; F59-N61 VanDerWaalsContact C-N 3.28Å; F59-N61 PolarHBondContact O-N 2.88Å
62L84.7Confident85.1Confident72 Ų72102 Ų10238%0.37748%0.481SS..Hα-helixtrans-79.1-28.9-179.3-77.6167000113.5M1 Y58 F59M1-L62 HydrophobicContact CE-CD1 3.54Å; Y58-L62 HydrophobicContact CD1-CD1 3.7Å; Y58-L62 HydrophobicContact CE1-CD1 3.31Å; Y58-L62 HydrophobicContact CE1-CG 4.43Å; Y58-L62 HydrophobicContact CE2-CD1 4.33Å; Y58-L62 HydrophobicContact CG-CD1 4.35Å; Y58-L62 WeakPolarHBondContact O-CG 3.35Å; Y58-L62 PolarHBondContact O-N 2.96Å; F59-L62 HydrophobicContact CD1-CD1 3.69Å; F59-L62 HydrophobicContact CE1-CD1 4.15Å; F59-L62 PolarHBondContact O-N 3.48Å
63Y82.5Confident85.3Confident142 Ų14298.3 Ų98.356%0.55747%0.467SS*.SBendtrans-114.1148.4-176.1-59.9-72.9000111F59 K65F59-Y63 HydrophobicContact CD1-CE2 4.48Å; F59-Y63 WeakPolarHBondContact O-CD2 3.24Å; Y63-K65 PolarHBondContact O-N 3.37Å
64K83.1Confident85.5Confident189 Ų18993.8 Ų93.882%0.82245%0.452SS*.PPolyproline II helixtrans-58.5136.5173.3-66.8-179.3-180-179.90109I66K64-I66 PolarHBondContact O-N 3.2Å
65K82.8Confident85.7Confident171 Ų17194.6 Ų94.674%0.74346%0.458SS*.PPolyproline II helixtrans-61.1122.6174.6-173.3178.4178.7-175.70108.6Y63 H67Y63-K65 PolarHBondContact O-N 3.37Å; K65-H67 PolarHBondContact O-N 3.15Å
66I81Confident85.9Confident128 Ų12899.1 Ų99.166%0.65648%0.482SS*.PPolyproline II helixtrans-71.9119.9173.2-55.1173.3000107K64 L71K64-I66 PolarHBondContact O-N 3.2Å; I66-L71 HydrophobicContact CG2-CB 4.48Å
67H84Confident86.2Confident103 Ų10399.4 Ų99.448%0.47749%0.486SS..  trans-113.4157.8172.254.580.6000109.2K65 P69 L70 L71K65-H67 PolarHBondContact O-N 3.15Å; H67-P69 VanDerWaalsContact C-N 3.33Å; H67-P69 WeakPolarHBondContact ND1-CD 3.36Å; H67-L70 PolarHBondContact CE1-N 3.2Å; H67-L70 PolarHBondContact ND1-N 3.46Å; H67-L70 WeakPolarHBondContact O-CB 3.5Å; H67-L70 PolarHBondContact O-N 2.98Å; H67-L71 PolarHBondContact O-N 3.46Å
68G86.8Confident86.5Confident39 Ų3995.5 Ų95.540%0.40247%0.467SS..Hα-helixtrans-44.6-50.7-179.300000113.8L70 L71 E72G68-L70 VanDerWaalsContact C-N 3.29Å; G68-L70 PolarHBondContact O-N 2.81Å; G68-L71 WeakPolarHBondContact O-CA 3.44Å; G68-L71 WeakPolarHBondContact O-CB 3.4Å; G68-L71 PolarHBondContact O-N 3.31Å; G68-E72 WeakPolarHBondContact O-CG 3.22Å; G68-E72 PolarHBondContact O-N 3.49Å
69P87.5Confident86.8Confident83 Ų8398.3 Ų98.354%0.53948%0.479SS..Hα-helixtrans-61-31.1179.4-25.730.6000115.2H67 A73H67-P69 VanDerWaalsContact C-N 3.33Å; H67-P69 WeakPolarHBondContact ND1-CD 3.36Å; P69-A73 WeakPolarHBondContact O-CB 3.29Å; P69-A73 PolarHBondContact O-N 2.86Å; P69-A73 VanDerWaalsContact O-N 3.1Å
70L87.4Confident86.9Confident77 Ų7797 Ų9740%0.40349%0.488SS..Hα-helixtrans-72.8-35.8176.6-178.465.8000110.7H67 G68 F74H67-L70 PolarHBondContact CE1-N 3.2Å; H67-L70 PolarHBondContact ND1-N 3.46Å; H67-L70 WeakPolarHBondContact O-CB 3.5Å; H67-L70 PolarHBondContact O-N 2.98Å; G68-L70 VanDerWaalsContact C-N 3.29Å; G68-L70 PolarHBondContact O-N 2.81Å; L70-F74 WeakPolarHBondContact O-CB 3.28Å; L70-F74 PolarHBondContact O-N 3.19Å
71L87.6Confident87.1Confident70 Ų7090.1 Ų90.137%0.36647%0.466SS..Hα-helixtrans-69.2-43.6176.7-177.262.6000110.8I66 H67 G68 F74 V75 M108I66-L71 HydrophobicContact CG2-CB 4.48Å; H67-L71 PolarHBondContact O-N 3.46Å; G68-L71 WeakPolarHBondContact O-CA 3.44Å; G68-L71 WeakPolarHBondContact O-CB 3.4Å; G68-L71 PolarHBondContact O-N 3.31Å; L71-F74 WeakPolarHBondContact O-CB 3.45Å; L71-F74 PolarHBondContact O-N 2.9Å; L71-F74 VanDerWaalsContact O-N 3.16Å; L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.96Å; L71-M108 HydrophobicContact CD1-SD 4.37Å; L71-M108 HydrophobicContact CD2-CE 4.33Å
72E88.9Confident87.5Confident126 Ų12690.5 Ų90.559%0.58947%0.465SS*.Hα-helixtrans-58.7-50.3175.3-71.3162-154.400111.3G68 F74 V75 E76G68-E72 WeakPolarHBondContact O-CG 3.22Å; G68-E72 PolarHBondContact O-N 3.49Å; E72-F74 PolarHBondContact O-N 3.34Å; E72-V75 PolarHBondContact O-N 2.93Å; E72-V75 VanDerWaalsContact O-N 3.08Å; E72-E76 PolarHBondContact O-N 2.98Å
73A90Very high87.9Confident42 Ų4292.3 Ų92.335%0.34747%0.471SS..Hα-helixtrans-59.2-36.2175.200000112.5P69 I77P69-A73 WeakPolarHBondContact O-CB 3.29Å; P69-A73 PolarHBondContact O-N 2.86Å; P69-A73 VanDerWaalsContact O-N 3.1Å; A73-I77 WeakPolarHBondContact O-CD1 3.46Å; A73-I77 VanDerWaalsContact O-CG1 3.25Å; A73-I77 WeakPolarHBondContact O-CG1 3.38Å; A73-I77 PolarHBondContact O-N 3.24Å
74F90Very high88.4Confident84 Ų8485.5 Ų85.537%0.36845%0.445SS..Hα-helixtrans-67.8-41.4174.9177-94.6000112.2L70 L71 E72 E76 I77 Y78 I107L70-F74 WeakPolarHBondContact O-CB 3.28Å; L70-F74 PolarHBondContact O-N 3.19Å; L71-F74 WeakPolarHBondContact O-CB 3.45Å; L71-F74 PolarHBondContact O-N 2.9Å; L71-F74 VanDerWaalsContact O-N 3.16Å; E72-F74 PolarHBondContact O-N 3.34Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.03Å; F74-I77 PolarHBondContact O-N 3.38Å; F74-Y78 HydrophobicContact CE1-CG 4.31Å; F74-Y78 HydrophobicContact CZ-CD2 4.19Å; F74-Y78 HydrophobicContact CZ-CG 4.39Å; F74-Y78 VanDerWaalsContact O-CB 3.26Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.45Å; F74-I107 HydrophobicContact CE1-CG2 3.89Å
75V88.6Confident88.9Confident31 Ų3180.2 Ų80.219%0.18842%0.422CS..Hα-helixtrans-62-43177.6170.90000110.9L71 E72 I77 Y78 K79 M108L71-V75 WeakPolarHBondContact O-CG2 3.46Å; L71-V75 PolarHBondContact O-N 2.96Å; E72-V75 PolarHBondContact O-N 2.93Å; E72-V75 VanDerWaalsContact O-N 3.08Å; V75-I77 VanDerWaalsContact C-N 3.32Å; V75-I77 PolarHBondContact O-N 3.44Å; V75-Y78 PolarHBondContact O-N 3.41Å; V75-K79 HydrophobicContact CG1-CD 3.93Å; V75-K79 HydrophobicContact CG1-CG 4.09Å; V75-K79 WeakPolarHBondContact O-CB 3.36Å; V75-K79 WeakPolarHBondContact O-CG 3.35Å; V75-K79 PolarHBondContact O-N 3.38Å; V75-M108 HydrophobicContact CG2-CB 4.23Å; V75-M108 HydrophobicContact CG2-CE 4.16Å; V75-M108 HydrophobicContact CG2-CG 3.86Å
76E89.6Confident89.4Confident159 Ų15979.4 Ų79.474%0.74341%0.414SS*.Hα-helixtrans-61.8-38.9176.8-71-179170.500112.6E72 F74E72-E76 PolarHBondContact O-N 2.98Å; F74-E76 VanDerWaalsContact C-N 3.34Å; F74-E76 PolarHBondContact O-N 3.03Å
77I91.8Very high89.9Confident129 Ų12974.4 Ų74.466%0.66239%0.389SS*.Hα-helixtrans-74.1-37.5177.5-64.9164.6000111A73 F74 V75 S81A73-I77 WeakPolarHBondContact O-CD1 3.46Å; A73-I77 VanDerWaalsContact O-CG1 3.25Å; A73-I77 WeakPolarHBondContact O-CG1 3.38Å; A73-I77 PolarHBondContact O-N 3.24Å; F74-I77 PolarHBondContact O-N 3.38Å; V75-I77 VanDerWaalsContact C-N 3.32Å; V75-I77 PolarHBondContact O-N 3.44Å; I77-S81 WeakPolarHBondContact O-CB 3.47Å
78Y92.7Very high90.4Very high4 Ų469.5 Ų69.52%0.01637%0.366CS..Hα-helixtrans-75.4-46.6-175.6-178.2-101.5000112.1F74 V75 G80 S81 E83 E84 D87 I107F74-Y78 HydrophobicContact CE1-CG 4.31Å; F74-Y78 HydrophobicContact CZ-CD2 4.19Å; F74-Y78 HydrophobicContact CZ-CG 4.39Å; F74-Y78 VanDerWaalsContact O-CB 3.26Å; F74-Y78 WeakPolarHBondContact O-CB 3.43Å; F74-Y78 PolarHBondContact O-N 3.45Å; V75-Y78 PolarHBondContact O-N 3.41Å; Y78-G80 PolarHBondContact O-N 3.26Å; Y78-S81 VanDerWaalsContact O-CB 3.25Å; Y78-S81 WeakPolarHBondContact O-CB 3.29Å; Y78-S81 PolarHBondContact O-N 3.36Å; Y78-S81 PolarHBondContact O-OG 3.05Å; Y78-E83 HydrophobicContact CE2-CG 4.23Å; Y78-E84 HydrophobicContact CD1-CB 4.27Å; Y78-E84 HydrophobicContact CD1-CG 4.36Å; Y78-E84 HydrophobicContact CE1-CB 3.88Å; Y78-E84 HydrophobicContact CE1-CG 3.77Å; Y78-E84 HydrophobicContact CE2-CB 4.18Å; Y78-E84 WeakPolarHBondContact O-CB 3.19Å; Y78-D87 WeakPolarHBondContact CE2-OD2 3.42Å; Y78-D87 WeakPolarHBondContact OH-CB 3.4Å; Y78-D87 PolarHBondContact OH-OD2 3.24Å; Y78-I107 HydrophobicContact CD1-CB 4.44Å; Y78-I107 HydrophobicContact CE1-CB 3.83Å; Y78-I107 HydrophobicContact CE2-CB 4.49Å; Y78-I107 HydrophobicContact CE2-CD1 3.94Å
79K90.1Very high90.6Very high70 Ų7068.4 Ų68.430%0.30435%0.353SS..THydrogen-bonded Turntrans-65.3119.9-179.5-71.8-165.4175-155.90110.2V75 E84 D113V75-K79 HydrophobicContact CG1-CD 3.93Å; V75-K79 HydrophobicContact CG1-CG 4.09Å; V75-K79 WeakPolarHBondContact O-CB 3.36Å; V75-K79 WeakPolarHBondContact O-CG 3.35Å; V75-K79 PolarHBondContact O-N 3.38Å; K79-E84 WeakPolarHBondContact CA-OE2 3.36Å; K79-D113 VanDerWaalsContact NZ-CG 3.3Å; K79-D113 IonicContact NZ-OD1 2.67Å; K79-D113 PolarHBondContact NZ-OD1 3.01Å; K79-D113 IonicContact NZ-OD2 2.73Å; K79-D113 PolarHBondContact NZ-OD2 3.17Å
80G86.2Confident90.8Very high52 Ų5272.4 Ų72.454%0.53636%0.358SS..THydrogen-bonded Turntrans88.9-4.1-176.500000114.4Y78 E84Y78-G80 PolarHBondContact O-N 3.26Å; G80-E84 PolarHBondContact N-OE2 3.43Å
81S91.2Very high91.1Very high27 Ų2769 Ų6919%0.18934%0.341CS..SBendtrans-73.5161.2178.172.40000113.1I77 Y78 E83 E84 K85I77-S81 WeakPolarHBondContact O-CB 3.47Å; Y78-S81 VanDerWaalsContact O-CB 3.25Å; Y78-S81 WeakPolarHBondContact O-CB 3.29Å; Y78-S81 PolarHBondContact O-N 3.36Å; Y78-S81 PolarHBondContact O-OG 3.05Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 PolarHBondContact OG-N 3.24Å; S81-E84 PolarHBondContact O-N 3.38Å; S81-E84 PolarHBondContact OG-N 3.26Å; S81-E84 VanDerWaalsContact OG-N 3.14Å; S81-K85 PolarHBondContact O-N 3.25Å
82E91.5Very high91.2Very high102 Ų10265.8 Ų65.848%0.47732%0.323SS..Hα-helixtrans-64.9-21.9168.8-69.1-58.9131.700112.7K85 R86E82-K85 IonicContact OE1-NZ 2.97Å; E82-K85 PolarHBondContact OE1-NZ 3.32Å; E82-R86 VanDerWaalsContact O-CG 3.31Å; E82-R86 WeakPolarHBondContact O-CG 3.38Å; E82-R86 PolarHBondContact O-N 2.93Å
83E92.4Very high91.3Very high110 Ų11065.3 Ų65.351%0.51432%0.319SS..Hα-helixtrans-70.3-45.4174.9-169.6168.3-166.200111Y78 S81 K85 R86 D87Y78-E83 HydrophobicContact CE2-CG 4.23Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 PolarHBondContact OG-N 3.24Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 2.9Å; E83-R86 PolarHBondContact O-N 3.06Å; E83-R86 VanDerWaalsContact O-N 3.15Å; E83-D87 PolarHBondContact O-N 3.45Å
84E94Very high91.3Very high0 Ų072 Ų720%034%0.336CS..Hα-helixtrans-59.9-41.9175-176.2-178.2-141.700111.6Y78 K79 G80 S81 R86 D87 L88 M106 R116 Y117 M120Y78-E84 HydrophobicContact CD1-CB 4.27Å; Y78-E84 HydrophobicContact CD1-CG 4.36Å; Y78-E84 HydrophobicContact CE1-CB 3.88Å; Y78-E84 HydrophobicContact CE1-CG 3.77Å; Y78-E84 HydrophobicContact CE2-CB 4.18Å; Y78-E84 WeakPolarHBondContact O-CB 3.19Å; K79-E84 WeakPolarHBondContact CA-OE2 3.36Å; G80-E84 PolarHBondContact N-OE2 3.43Å; S81-E84 PolarHBondContact O-N 3.38Å; S81-E84 PolarHBondContact OG-N 3.26Å; S81-E84 VanDerWaalsContact OG-N 3.14Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.37Å; E84-D87 PolarHBondContact O-N 3.12Å; E84-L88 VanDerWaalsContact O-CB 3.29Å; E84-L88 WeakPolarHBondContact O-CB 3.31Å; E84-L88 PolarHBondContact O-N 2.78Å; E84-M106 HydrophobicContact CG-CE 3.88Å; E84-R116 VanDerWaalsContact CD-NH1 3.34Å; E84-R116 IonicContact OE1-CZ 2.73Å; E84-R116 IonicContact OE1-NH1 2.82Å; E84-R116 PolarHBondContact OE1-NH1 3.16Å; E84-R116 IonicContact OE1-NH2 2.94Å; E84-R116 PolarHBondContact OE1-NH2 3.5Å; E84-R116 IonicContact OE2-CZ 2.91Å; E84-R116 IonicContact OE2-NH1 3.8Å; E84-R116 PolarHBondContact OE2-NH1 3.01Å; E84-R116 IonicContact OE2-NH2 3.35Å; E84-Y117 HydrophobicContact CG-CE1 4.43Å; E84-Y117 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y117 PolarHBondContact OE1-OH 2.74Å; E84-M120 HydrophobicContact CG-CE 4.47Å
85K92.3Very high91.3Very high77 Ų7769.9 Ų69.934%0.33533%0.327SS..Hα-helixtrans-57.6-45.4174.8-72.4177.8-172.4172.10112.2S81 E82 E83 L88 A89 M120S81-K85 PolarHBondContact O-N 3.25Å; E82-K85 IonicContact OE1-NZ 2.97Å; E82-K85 PolarHBondContact OE1-NZ 3.32Å; E83-K85 VanDerWaalsContact C-N 3.32Å; E83-K85 PolarHBondContact O-N 2.9Å; K85-L88 PolarHBondContact O-N 2.92Å; K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 3.43Å; K85-M120 HydrophobicContact CB-CE 4.28Å; K85-M120 HydrophobicContact CG-CE 3.36Å
86R93Very high91.2Very high154 Ų15472.9 Ų72.958%0.58134%0.342SS*.Hα-helixtrans-65.9-40.1178.1-69.9176.1-159.9122.53.2111.7E82 E83 E84 A89 R90E82-R86 VanDerWaalsContact O-CG 3.31Å; E82-R86 WeakPolarHBondContact O-CG 3.38Å; E82-R86 PolarHBondContact O-N 2.93Å; E83-R86 PolarHBondContact O-N 3.06Å; E83-R86 VanDerWaalsContact O-N 3.15Å; E84-R86 VanDerWaalsContact C-N 3.34Å; E84-R86 PolarHBondContact O-N 3.37Å; R86-A89 PolarHBondContact O-N 2.95Å; R86-R90 WeakPolarHBondContact O-CG 3.48Å; R86-R90 PolarHBondContact O-N 2.81Å
87D93.1Very high90.9Very high24 Ų2465.3 Ų65.313%0.12831%0.307CS..Hα-helixtrans-63.3-45.9175.8-73.6-17.6000111.5Y78 E83 E84 A89 R90 A91 M106Y78-D87 WeakPolarHBondContact CE2-OD2 3.42Å; Y78-D87 WeakPolarHBondContact OH-CB 3.4Å; Y78-D87 PolarHBondContact OH-OD2 3.24Å; E83-D87 PolarHBondContact O-N 3.45Å; E84-D87 PolarHBondContact O-N 3.12Å; D87-A89 VanDerWaalsContact C-N 3.35Å; D87-A89 PolarHBondContact O-N 3.12Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 WeakPolarHBondContact O-CB 3.41Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 VanDerWaalsContact O-N 3.09Å; D87-R90 IonicContact OD1-CZ 2.97Å; D87-R90 IonicContact OD1-NE 3.56Å; D87-R90 IonicContact OD1-NH2 3.4Å; D87-R90 PolarHBondContact OD1-NH2 2.95Å; D87-A91 WeakPolarHBondContact O-CB 3.41Å; D87-A91 PolarHBondContact O-N 3.44Å; D87-M106 HydrophobicContact CB-CE 4.18Å; D87-M106 HydrophobicContact CB-SD 4.18Å
88L92.9Very high90.7Very high0 Ų061.7 Ų61.70%029%0.289CS..Hα-helixtrans-61.8-42.9177.7-169.866.2000111.5E84 K85 R90 A91 Y92 M102 M106 Y117 M120 I121 M124E84-L88 VanDerWaalsContact O-CB 3.29Å; E84-L88 WeakPolarHBondContact O-CB 3.31Å; E84-L88 PolarHBondContact O-N 2.78Å; K85-L88 PolarHBondContact O-N 2.92Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.31Å; L88-A91 PolarHBondContact O-N 3.42Å; L88-Y92 VanDerWaalsContact O-CB 3.24Å; L88-Y92 WeakPolarHBondContact O-CB 3.25Å; L88-Y92 PolarHBondContact O-N 2.94Å; L88-M102 HydrophobicContact CD1-CE 3.51Å; L88-M102 HydrophobicContact CG-CE 4.25Å; L88-M106 HydrophobicContact CB-CE 4.01Å; L88-M106 HydrophobicContact CB-SD 4.22Å; L88-M106 HydrophobicContact CD1-CE 4.09Å; L88-M106 HydrophobicContact CD1-CG 4.36Å; L88-M106 HydrophobicContact CD1-SD 3.97Å; L88-Y117 HydrophobicContact CD1-CD1 3.84Å; L88-Y117 HydrophobicContact CD1-CD2 4.17Å; L88-Y117 HydrophobicContact CD1-CE1 4.34Å; L88-Y117 HydrophobicContact CD1-CG 3.73Å; L88-Y117 HydrophobicContact CD2-CD1 3.72Å; L88-Y117 HydrophobicContact CD2-CG 4.1Å; L88-Y117 HydrophobicContact CG-CD1 4.41Å; L88-M120 HydrophobicContact CD2-CB 3.88Å; L88-M120 HydrophobicContact CD2-CE 4.15Å; L88-M120 HydrophobicContact CD2-SD 4.25Å; L88-I121 HydrophobicContact CD1-CD1 4.26Å; L88-I121 HydrophobicContact CD2-CD1 4.15Å; L88-I121 HydrophobicContact CD2-CG1 3.82Å; L88-I121 HydrophobicContact CG-CD1 4.12Å; L88-I121 HydrophobicContact CG-CG1 4.03Å; L88-M124 HydrophobicContact CD2-CE 4.1Å; L88-M124 HydrophobicContact CG-CE 4.4Å
89A92Very high90.4Very high16 Ų1661.8 Ų61.813%0.13229%0.289CS..Hα-helixtrans-60.9-38.5173.700000112.6K85 R86 D87 K93 M124 L130K85-A89 WeakPolarHBondContact O-CB 3.39Å; K85-A89 PolarHBondContact O-N 3.43Å; R86-A89 PolarHBondContact O-N 2.95Å; D87-A89 VanDerWaalsContact C-N 3.35Å; D87-A89 PolarHBondContact O-N 3.12Å; A89-K93 WeakPolarHBondContact O-CG 3.38Å; A89-K93 PolarHBondContact O-N 3.42Å; A89-M124 HydrophobicContact CB-SD 4.04Å; A89-L130 HydrophobicContact CB-CD1 4.34Å; A89-L130 HydrophobicContact CB-CD2 4.01Å
90R92.3Very high90.3Very high167 Ų16761.6 Ų61.663%0.6329%0.292SS*.Hα-helixtrans-68.8-44.4174.9-73.1-170.1-69.4-1567.6111.8R86 D87 L88 K93 R94R86-R90 WeakPolarHBondContact O-CG 3.48Å; R86-R90 PolarHBondContact O-N 2.81Å; D87-R90 CarbonylContact O-C 3.6Å; D87-R90 WeakPolarHBondContact O-CB 3.41Å; D87-R90 PolarHBondContact O-N 2.9Å; D87-R90 VanDerWaalsContact O-N 3.09Å; D87-R90 IonicContact OD1-CZ 2.97Å; D87-R90 IonicContact OD1-NE 3.56Å; D87-R90 IonicContact OD1-NH2 3.4Å; D87-R90 PolarHBondContact OD1-NH2 2.95Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 3.31Å; R90-K93 PolarHBondContact O-N 3.09Å; R90-R94 VanDerWaalsContact O-CB 3.32Å; R90-R94 WeakPolarHBondContact O-CB 3.1Å; R90-R94 PolarHBondContact O-N 2.82Å
91A92.5Very high90.5Very high6 Ų662.4 Ų62.45%0.0528%0.283CS..Hα-helixtrans-62.1-44.5177.300000110.8D87 L88 K93 R94 H95 M102 M106D87-A91 WeakPolarHBondContact O-CB 3.41Å; D87-A91 PolarHBondContact O-N 3.44Å; L88-A91 PolarHBondContact O-N 3.42Å; A91-K93 PolarHBondContact O-N 3.03Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-R94 VanDerWaalsContact O-N 3.15Å; A91-H95 WeakPolarHBondContact O-CB 3.5Å; A91-H95 PolarHBondContact O-CD2 3.46Å; A91-H95 PolarHBondContact O-N 3.23Å; A91-M102 HydrophobicContact CB-CB 4.27Å; A91-M102 HydrophobicContact CB-CE 4.29Å; A91-M102 HydrophobicContact CB-CG 4.08Å; A91-M106 HydrophobicContact CB-SD 4.07Å
92Y91Very high90.5Very high1 Ų161.2 Ų61.20%0.00428%0.275CS..Hα-helixtrans-58-48.7177.7-175.8-96.8000112.2L88 R94 H95 N96 G97 M102 I121 L130 K131 T136L88-Y92 VanDerWaalsContact O-CB 3.24Å; L88-Y92 WeakPolarHBondContact O-CB 3.25Å; L88-Y92 PolarHBondContact O-N 2.94Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.47Å; Y92-H95 PolarHBondContact O-N 3.17Å; Y92-N96 WeakPolarHBondContact O-CA 3.4Å; Y92-N96 PolarHBondContact O-N 2.91Å; Y92-G97 PolarHBondContact O-N 2.73Å; Y92-G97 VanDerWaalsContact O-N 3.13Å; Y92-M102 HydrophobicContact CD2-CE 4.21Å; Y92-M102 HydrophobicContact CD2-SD 4.08Å; Y92-I121 HydrophobicContact CD2-CD1 3.92Å; Y92-I121 HydrophobicContact CD2-CG1 4.35Å; Y92-I121 HydrophobicContact CD2-CG2 3.89Å; Y92-I121 HydrophobicContact CE2-CG2 3.68Å; Y92-I121 HydrophobicContact CG-CG2 4.48Å; Y92-L130 HydrophobicContact CD1-CD1 3.99Å; Y92-L130 HydrophobicContact CD1-CD2 4.41Å; Y92-L130 HydrophobicContact CG-CD1 4.35Å; Y92-K131 WeakPolarHBondContact CE1-O 3.26Å; Y92-T136 HydrophobicContact CE2-CG2 3.94Å
93K89.7Confident90.5Very high116 Ų11657.3 Ų57.350%0.50426%0.257SS..Hα-helixtrans-64.4-35.5175.5-71.6176-175.6174.30112.9A89 R90 A91 L130A89-K93 WeakPolarHBondContact O-CG 3.38Å; A89-K93 PolarHBondContact O-N 3.42Å; R90-K93 PolarHBondContact O-N 3.09Å; A91-K93 PolarHBondContact O-N 3.03Å; K93-L130 HydrophobicContact CD-CD2 4.37Å; K93-L130 HydrophobicContact CG-CD2 4.25Å
94R90Very high90.3Very high184 Ų18458.8 Ų58.869%0.69427%0.267SS*.Hα-helixtrans-72.8-38.5-178.5-174.9177.7-177.2-174.6-1.2112R90 A91 Y92R90-R94 VanDerWaalsContact O-CB 3.32Å; R90-R94 WeakPolarHBondContact O-CB 3.1Å; R90-R94 PolarHBondContact O-N 2.82Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-R94 VanDerWaalsContact O-N 3.15Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.47Å
95H90Very high90.1Very high38 Ų3861.4 Ų61.418%0.17628%0.283CS..Hα-helixtrans-106.67.4-172.6-65.1-70.1000113.6A91 Y92 G97 N98 D101 M102 T105A91-H95 WeakPolarHBondContact O-CB 3.5Å; A91-H95 PolarHBondContact O-CD2 3.46Å; A91-H95 PolarHBondContact O-N 3.23Å; Y92-H95 PolarHBondContact O-N 3.17Å; H95-G97 PolarHBondContact O-N 3.49Å; H95-N98 PolarHBondContact O-N 3.25Å; H95-D101 HydrophobicContact CB-CB 3.96Å; H95-D101 VanDerWaalsContact ND1-CB 3.31Å; H95-D101 WeakPolarHBondContact ND1-CB 3.44Å; H95-M102 HydrophobicContact CB-CG 3.91Å; H95-T105 VanDerWaalsContact NE2-CG2 3.3Å; H95-T105 WeakPolarHBondContact NE2-CG2 3.5Å
96N85.9Confident90.1Very high94 Ų9458.3 Ų58.350%0.50327%0.27SS..THydrogen-bonded Turntrans49.744-178.8-49.3-79000112.2Y92 N98 E133Y92-N96 WeakPolarHBondContact O-CA 3.4Å; Y92-N96 PolarHBondContact O-N 2.91Å; N96-N98 PolarHBondContact O-N 2.82Å; N96-E133 HydrophobicContact CB-CB 4.46Å
97G83.5Confident89.9Confident1 Ų154.3 Ų54.31%0.0126%0.26CS..THydrogen-bonded Turntrans74.212.8178.200000116.9Y92 H95 Y99Y92-G97 PolarHBondContact O-N 2.73Å; Y92-G97 VanDerWaalsContact O-N 3.13Å; H95-G97 PolarHBondContact O-N 3.49Å; G97-Y99 PolarHBondContact O-N 2.73Å
98N87.4Confident89.5Confident52 Ų5257.2 Ų57.228%0.27827%0.274SS..  trans-77.5104.6170.1-173.76.7000111.6H95 N96 D100 D101 M102H95-N98 PolarHBondContact O-N 3.25Å; N96-N98 PolarHBondContact O-N 2.82Å; N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.73Å; N98-D100 PolarHBondContact OD1-N 3.3Å; N98-D101 HydrophobicContact CB-CB 4.34Å; N98-D101 PolarHBondContact ND2-OD2 2.97Å; N98-D101 PolarHBondContact O-N 2.6Å; N98-M102 WeakPolarHBondContact O-CG 3.49Å; N98-M102 PolarHBondContact O-N 2.93Å
99Y87.6Confident89.1Confident6 Ų658.2 Ų58.22%0.02428%0.283CS..Hα-helixtrans-57.2-38.2-179.7-70.3-75.6000113.8G97 D101 M102 L103 I114 R118 I121 N139G97-Y99 PolarHBondContact O-N 2.73Å; Y99-D101 VanDerWaalsContact C-N 3.33Å; Y99-D101 PolarHBondContact O-N 3.25Å; Y99-M102 PolarHBondContact O-N 3.18Å; Y99-L103 VanDerWaalsContact O-CG 3.31Å; Y99-L103 WeakPolarHBondContact O-CG 3.33Å; Y99-L103 PolarHBondContact O-N 2.63Å; Y99-I114 HydrophobicContact CD1-CG2 4.05Å; Y99-I114 HydrophobicContact CD2-CG2 4.49Å; Y99-I114 HydrophobicContact CE1-CG2 4.38Å; Y99-I114 HydrophobicContact CG-CG2 4.11Å; Y99-R118 WeakPolarHBondContact OH-CA 3.28Å; Y99-R118 WeakPolarHBondContact OH-CB 3.5Å; Y99-I121 HydrophobicContact CE1-CD1 3.9Å; Y99-N139 WeakPolarHBondContact CB-ND2 3.39Å; Y99-N139 HydrophobicContact CD2-CB 4.26Å; Y99-N139 VanDerWaalsContact CD2-ND2 3.29Å; Y99-N139 WeakPolarHBondContact CD2-ND2 3.38Å
100D88.6Confident88.9Confident67 Ų6762.4 Ų62.436%0.35830%0.3SS..Hα-helixtrans-63.1-42.4-178.2-65.7-30.1000111.1N98N98-D100 VanDerWaalsContact C-N 3.3Å; N98-D100 PolarHBondContact O-N 2.73Å; N98-D100 PolarHBondContact OD1-N 3.3Å
101D88.9Confident88.8Confident68 Ų6861.3 Ų61.336%0.36430%0.3SS..Hα-helixtrans-74-33.1176.5-64.7-33.7000111.8H95 N98 Y99 I104H95-D101 HydrophobicContact CB-CB 3.96Å; H95-D101 VanDerWaalsContact ND1-CB 3.31Å; H95-D101 WeakPolarHBondContact ND1-CB 3.44Å; N98-D101 HydrophobicContact CB-CB 4.34Å; N98-D101 PolarHBondContact ND2-OD2 2.97Å; N98-D101 PolarHBondContact O-N 2.6Å; Y99-D101 VanDerWaalsContact C-N 3.33Å; Y99-D101 PolarHBondContact O-N 3.25Å; D101-I104 PolarHBondContact O-N 3.22Å
102M91.7Very high88.7Confident2 Ų267.9 Ų67.91%0.0133%0.33CS..Hα-helixtrans-64.1-45177-71.517161.900111.1L88 A91 Y92 H95 N98 Y99 I104 T105 M106 I121L88-M102 HydrophobicContact CD1-CE 3.51Å; L88-M102 HydrophobicContact CG-CE 4.25Å; A91-M102 HydrophobicContact CB-CB 4.27Å; A91-M102 HydrophobicContact CB-CE 4.29Å; A91-M102 HydrophobicContact CB-CG 4.08Å; Y92-M102 HydrophobicContact CD2-CE 4.21Å; Y92-M102 HydrophobicContact CD2-SD 4.08Å; H95-M102 HydrophobicContact CB-CG 3.91Å; N98-M102 WeakPolarHBondContact O-CG 3.49Å; N98-M102 PolarHBondContact O-N 2.93Å; Y99-M102 PolarHBondContact O-N 3.18Å; M102-I104 PolarHBondContact O-N 3.4Å; M102-T105 CarbonylContact O-C 3.59Å; M102-T105 WeakPolarHBondContact O-CA 3.44Å; M102-T105 PolarHBondContact O-N 3.27Å; M102-T105 PolarHBondContact O-OG1 3.14Å; M102-M106 WeakPolarHBondContact O-CG 3.34Å; M102-M106 PolarHBondContact O-N 3.34Å; M102-I121 HydrophobicContact CE-CD1 3.73Å
103L91Very high88.6Confident20 Ų2068.4 Ų68.411%0.10533%0.333CS..Hα-helixtrans-56.6-36.9179-73.5176.3000112.5Y99 T105 M106 E110 K111 I114 Y117Y99-L103 VanDerWaalsContact O-CG 3.31Å; Y99-L103 WeakPolarHBondContact O-CG 3.33Å; Y99-L103 PolarHBondContact O-N 2.63Å; L103-T105 PolarHBondContact O-N 3.41Å; L103-M106 PolarHBondContact O-N 3.15Å; L103-E110 VanDerWaalsContact CD2-O 3.22Å; L103-E110 WeakPolarHBondContact CD2-O 3.36Å; L103-K111 HydrophobicContact CD1-CG 4.05Å; L103-I114 HydrophobicContact CD1-CD1 3.85Å; L103-I114 HydrophobicContact CD1-CG1 3.86Å; L103-I114 HydrophobicContact CD2-CG1 4.41Å; L103-I114 HydrophobicContact CG-CG1 4.43Å; L103-Y117 HydrophobicContact CD2-CD2 4.16Å; L103-Y117 HydrophobicContact CD2-CE2 3.75Å
104I89.4Confident88.6Confident141 Ų14164.1 Ų64.172%0.72332%0.315SS*.Hα-helixtrans-63-29.2176.4-62.8169000111.7D101 M102D101-I104 PolarHBondContact O-N 3.22Å; M102-I104 PolarHBondContact O-N 3.4Å
105T89.3Confident88.6Confident55 Ų5559.1 Ų59.134%0.33731%0.306SS..Hα-helixtrans-95.6-20.8-179.160.30000114.6H95 M102 L103H95-T105 VanDerWaalsContact NE2-CG2 3.3Å; H95-T105 WeakPolarHBondContact NE2-CG2 3.5Å; M102-T105 CarbonylContact O-C 3.59Å; M102-T105 WeakPolarHBondContact O-CA 3.44Å; M102-T105 PolarHBondContact O-N 3.27Å; M102-T105 PolarHBondContact O-OG1 3.14Å; L103-T105 PolarHBondContact O-N 3.41Å
106M91.6Very high88.7Confident12 Ų1260.4 Ų60.46%0.05931%0.31CS..SBendtrans-74.5140.1180-72.2-58.8-65.600110.7E84 D87 L88 A91 M102 L103 M108 G109 Y117E84-M106 HydrophobicContact CG-CE 3.88Å; D87-M106 HydrophobicContact CB-CE 4.18Å; D87-M106 HydrophobicContact CB-SD 4.18Å; L88-M106 HydrophobicContact CB-CE 4.01Å; L88-M106 HydrophobicContact CB-SD 4.22Å; L88-M106 HydrophobicContact CD1-CE 4.09Å; L88-M106 HydrophobicContact CD1-CG 4.36Å; L88-M106 HydrophobicContact CD1-SD 3.97Å; A91-M106 HydrophobicContact CB-SD 4.07Å; M102-M106 WeakPolarHBondContact O-CG 3.34Å; M102-M106 PolarHBondContact O-N 3.34Å; L103-M106 PolarHBondContact O-N 3.15Å; M106-M108 PolarHBondContact O-N 2.73Å; M106-G109 PolarHBondContact O-N 2.67Å; M106-Y117 HydrophobicContact CE-CE1 4.15Å; M106-Y117 HydrophobicContact CG-CE2 4.36Å
107I89.5Confident88.9Confident71 Ų7156 Ų5636%0.36429%0.286SS..THydrogen-bonded Turntrans-69.9120.7176.9-57.9173.5000108.1F74 Y78 G109F74-I107 HydrophobicContact CE1-CG2 3.89Å; Y78-I107 HydrophobicContact CD1-CB 4.44Å; Y78-I107 HydrophobicContact CE1-CB 3.83Å; Y78-I107 HydrophobicContact CE2-CB 4.49Å; Y78-I107 HydrophobicContact CE2-CD1 3.94Å; I107-G109 PolarHBondContact O-N 2.68Å; I107-G109 VanDerWaalsContact O-N 3.17Å
108M84.6Confident89.3Confident85 Ų8558.9 Ų58.942%0.41930%0.296SS..THydrogen-bonded Turntrans54.133179.7-57.1-66.1-64.200113L71 V75 M106 E110L71-M108 HydrophobicContact CD1-SD 4.37Å; L71-M108 HydrophobicContact CD2-CE 4.33Å; V75-M108 HydrophobicContact CG2-CB 4.23Å; V75-M108 HydrophobicContact CG2-CE 4.16Å; V75-M108 HydrophobicContact CG2-CG 3.86Å; M106-M108 PolarHBondContact O-N 2.73Å; M108-E110 PolarHBondContact O-N 3.02Å
109G84.8Confident89.5Confident20 Ų2063.1 Ų63.121%0.20632%0.315CS..  trans-78.7117.5178.100000111.3M106 I107M106-G109 PolarHBondContact O-N 2.67Å; I107-G109 PolarHBondContact O-N 2.68Å; I107-G109 VanDerWaalsContact O-N 3.17Å
110E88.3Confident89.7Confident105 Ų10564.5 Ų64.549%0.49132%0.322SS..  trans-105.9165.4176-56.4-176.7156.400111L103 M108 E112 D113L103-E110 VanDerWaalsContact CD2-O 3.22Å; L103-E110 WeakPolarHBondContact CD2-O 3.36Å; M108-E110 PolarHBondContact O-N 3.02Å; E110-E112 WeakPolarHBondContact CB-OE2 3.37Å; E110-E112 PolarHBondContact O-N 3.31Å; E110-D113 PolarHBondContact N-OD2 3.25Å; E110-D113 WeakPolarHBondContact O-CB 3.41Å; E110-D113 PolarHBondContact O-N 3.32Å
111K89.3Confident89.8Confident143 Ų14361.4 Ų61.462%0.62231%0.305SS*.G310 helixtrans-64.3-27.6-179-72.7-176.1177.6-178.90111.6L103 D113 I114L103-K111 HydrophobicContact CD1-CG 4.05Å; K111-D113 PolarHBondContact O-N 3.46Å; K111-I114 HydrophobicContact CB-CD1 4.43Å; K111-I114 WeakPolarHBondContact O-CB 3.1Å; K111-I114 WeakPolarHBondContact O-CD1 3.39Å; K111-I114 WeakPolarHBondContact O-CG1 3.34Å; K111-I114 PolarHBondContact O-N 2.88Å
112E89.7Confident89.9Confident144 Ų14463.2 Ų63.267%0.67331%0.312SS*.G310 helixtrans-64.9-23.9176.2-63.874.8-168.200112E110 P115E110-E112 WeakPolarHBondContact CB-OE2 3.37Å; E110-E112 PolarHBondContact O-N 3.31Å; E112-P115 VanDerWaalsContact O-CD 3.29Å; E112-P115 WeakPolarHBondContact O-CD 3.44Å
113D89.4Confident89.8Confident13 Ų1365.1 Ų65.17%0.0733%0.332CS..G310 helixtrans-82.1-11.5178.1-71.6-63.4000113.1K79 E110 K111 P115 R116 Y117K79-D113 VanDerWaalsContact NZ-CG 3.3Å; K79-D113 IonicContact NZ-OD1 2.67Å; K79-D113 PolarHBondContact NZ-OD1 3.01Å; K79-D113 IonicContact NZ-OD2 2.73Å; K79-D113 PolarHBondContact NZ-OD2 3.17Å; E110-D113 PolarHBondContact N-OD2 3.25Å; E110-D113 WeakPolarHBondContact O-CB 3.41Å; E110-D113 PolarHBondContact O-N 3.32Å; K111-D113 PolarHBondContact O-N 3.46Å; D113-P115 VanDerWaalsContact C-CD 3.49Å; D113-R116 WeakPolarHBondContact O-CB 3.24Å; D113-R116 PolarHBondContact O-N 3.24Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 IonicContact OD1-CZ 3.29Å; D113-R116 IonicContact OD1-NE 2.74Å; D113-R116 PolarHBondContact OD1-NE 3.08Å; D113-R116 IonicContact OD1-NH2 3.56Å; D113-R116 PolarHBondContact OD1-NH2 3.3Å; D113-Y117 HydrophobicContact CB-CD2 4.08Å; D113-Y117 HydrophobicContact CB-CE1 4.35Å; D113-Y117 HydrophobicContact CB-CE2 3.6Å; D113-Y117 PolarHBondContact O-N 3.44Å
114I89.4Confident89.8Confident25 Ų2564.9 Ų64.913%0.12833%0.33CS..Hα-helixtrans-53.7-45.3-178.2-65.1171.4000113Y99 L103 K111 R116 Y117 R118Y99-I114 HydrophobicContact CD1-CG2 4.05Å; Y99-I114 HydrophobicContact CD2-CG2 4.49Å; Y99-I114 HydrophobicContact CE1-CG2 4.38Å; Y99-I114 HydrophobicContact CG-CG2 4.11Å; L103-I114 HydrophobicContact CD1-CD1 3.85Å; L103-I114 HydrophobicContact CD1-CG1 3.86Å; L103-I114 HydrophobicContact CD2-CG1 4.41Å; L103-I114 HydrophobicContact CG-CG1 4.43Å; K111-I114 HydrophobicContact CB-CD1 4.43Å; K111-I114 WeakPolarHBondContact O-CB 3.1Å; K111-I114 WeakPolarHBondContact O-CD1 3.39Å; K111-I114 WeakPolarHBondContact O-CG1 3.34Å; K111-I114 PolarHBondContact O-N 2.88Å; I114-R116 VanDerWaalsContact C-N 3.34Å; I114-R116 PolarHBondContact O-N 2.86Å; I114-Y117 PolarHBondContact O-N 2.89Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 PolarHBondContact O-N 2.97Å
115P90.5Very high89.8Confident79 Ų7960 Ų6051%0.51331%0.305SS..Hα-helixtrans-59.9-43.3178-23.135.1000112.5E112 D113 R118 E119E112-P115 VanDerWaalsContact O-CD 3.29Å; E112-P115 WeakPolarHBondContact O-CD 3.44Å; D113-P115 VanDerWaalsContact C-CD 3.49Å; P115-R118 WeakPolarHBondContact O-CB 3.28Å; P115-R118 PolarHBondContact O-N 3.4Å; P115-E119 PolarHBondContact O-N 3.1Å; P115-E119 VanDerWaalsContact O-N 3.12Å
116R91.3Very high89.8Confident65 Ų6561.7 Ų61.725%0.24533%0.325CS..Hα-helixtrans-63.8-44177.1-176.3173.366.6104.74.8111.4E84 D113 I114 R118 E119 M120E84-R116 VanDerWaalsContact CD-NH1 3.34Å; E84-R116 IonicContact OE1-CZ 2.73Å; E84-R116 IonicContact OE1-NH1 2.82Å; E84-R116 PolarHBondContact OE1-NH1 3.16Å; E84-R116 IonicContact OE1-NH2 2.94Å; E84-R116 PolarHBondContact OE1-NH2 3.5Å; E84-R116 IonicContact OE2-CZ 2.91Å; E84-R116 IonicContact OE2-NH1 3.8Å; E84-R116 PolarHBondContact OE2-NH1 3.01Å; E84-R116 IonicContact OE2-NH2 3.35Å; D113-R116 WeakPolarHBondContact O-CB 3.24Å; D113-R116 PolarHBondContact O-N 3.24Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 IonicContact OD1-CZ 3.29Å; D113-R116 IonicContact OD1-NE 2.74Å; D113-R116 PolarHBondContact OD1-NE 3.08Å; D113-R116 IonicContact OD1-NH2 3.56Å; D113-R116 PolarHBondContact OD1-NH2 3.3Å; I114-R116 VanDerWaalsContact C-N 3.34Å; I114-R116 PolarHBondContact O-N 2.86Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.94Å; R116-E119 PolarHBondContact O-N 3.08Å; R116-M120 HydrophobicContact CG-SD 4.14Å; R116-M120 VanDerWaalsContact O-CG 3.28Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 2.93Å
117Y92Very high89.7Confident2 Ų264.4 Ų64.41%0.00835%0.349CS..Hα-helixtrans-63-37.2175.5-67-25.3000112.7E84 L88 L103 M106 D113 I114 M120 I121E84-Y117 HydrophobicContact CG-CE1 4.43Å; E84-Y117 WeakPolarHBondContact OE1-CE1 3.4Å; E84-Y117 PolarHBondContact OE1-OH 2.74Å; L88-Y117 HydrophobicContact CD1-CD1 3.84Å; L88-Y117 HydrophobicContact CD1-CD2 4.17Å; L88-Y117 HydrophobicContact CD1-CE1 4.34Å; L88-Y117 HydrophobicContact CD1-CG 3.73Å; L88-Y117 HydrophobicContact CD2-CD1 3.72Å; L88-Y117 HydrophobicContact CD2-CG 4.1Å; L88-Y117 HydrophobicContact CG-CD1 4.41Å; L103-Y117 HydrophobicContact CD2-CD2 4.16Å; L103-Y117 HydrophobicContact CD2-CE2 3.75Å; M106-Y117 HydrophobicContact CE-CE1 4.15Å; M106-Y117 HydrophobicContact CG-CE2 4.36Å; D113-Y117 HydrophobicContact CB-CD2 4.08Å; D113-Y117 HydrophobicContact CB-CE1 4.35Å; D113-Y117 HydrophobicContact CB-CE2 3.6Å; D113-Y117 PolarHBondContact O-N 3.44Å; I114-Y117 PolarHBondContact O-N 2.89Å; Y117-M120 HydrophobicContact CD1-SD 4.26Å; Y117-M120 PolarHBondContact O-N 3.27Å; Y117-I121 WeakPolarHBondContact O-CB 3.37Å; Y117-I121 VanDerWaalsContact O-CD1 3.28Å; Y117-I121 WeakPolarHBondContact O-CD1 3.4Å; Y117-I121 WeakPolarHBondContact O-CG1 3.45Å; Y117-I121 PolarHBondContact O-N 3.5Å
118R90.9Very high89.6Confident61 Ų6164 Ų6423%0.2336%0.362CS..Hα-helixtrans-60.6-51.2175.1-178.7-176.7-66.4-11112.2111.4Y99 I114 P115 R116 M120 I121 E122 E140Y99-R118 WeakPolarHBondContact OH-CA 3.28Å; Y99-R118 WeakPolarHBondContact OH-CB 3.5Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 PolarHBondContact O-N 2.97Å; P115-R118 WeakPolarHBondContact O-CB 3.28Å; P115-R118 PolarHBondContact O-N 3.4Å; R116-R118 VanDerWaalsContact C-N 3.31Å; R116-R118 PolarHBondContact O-N 2.94Å; R118-M120 VanDerWaalsContact C-N 3.31Å; R118-M120 PolarHBondContact O-N 3.4Å; R118-I121 PolarHBondContact O-N 3.07Å; R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 VanDerWaalsContact CG-OE1 3.27Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CB 3.04Å; R118-E122 WeakPolarHBondContact O-CG 3.46Å; R118-E122 PolarHBondContact O-N 3.18Å; R118-E140 IonicContact CZ-OE1 3.45Å; R118-E140 IonicContact NH1-OE1 3.59Å; R118-E140 PolarHBondContact NH1-OE1 2.85Å; R118-E140 IonicContact NH2-OE1 2.6Å; R118-E140 PolarHBondContact NH2-OE1 2.8Å
119E91.7Very high89.5Confident142 Ų14266.3 Ų66.366%0.66437%0.372SS*.Hα-helixtrans-58-43.7177.7-69.3179178.400112P115 R116 E122 G123P115-E119 PolarHBondContact O-N 3.1Å; P115-E119 VanDerWaalsContact O-N 3.12Å; R116-E119 PolarHBondContact O-N 3.08Å; E119-E122 PolarHBondContact O-N 3.26Å; E119-G123 PolarHBondContact O-N 3.11Å
120M91.4Very high89.4Confident34 Ų3465.8 Ų65.817%0.16736%0.364CS..Hα-helixtrans-62.8-43.9177.4-69169.171.300112.2E84 K85 L88 R116 Y117 R118 G123 M124E84-M120 HydrophobicContact CG-CE 4.47Å; K85-M120 HydrophobicContact CB-CE 4.28Å; K85-M120 HydrophobicContact CG-CE 3.36Å; L88-M120 HydrophobicContact CD2-CB 3.88Å; L88-M120 HydrophobicContact CD2-CE 4.15Å; L88-M120 HydrophobicContact CD2-SD 4.25Å; R116-M120 HydrophobicContact CG-SD 4.14Å; R116-M120 VanDerWaalsContact O-CG 3.28Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 2.93Å; Y117-M120 HydrophobicContact CD1-SD 4.26Å; Y117-M120 PolarHBondContact O-N 3.27Å; R118-M120 VanDerWaalsContact C-N 3.31Å; R118-M120 PolarHBondContact O-N 3.4Å; M120-G123 PolarHBondContact O-N 2.91Å; M120-M124 HydrophobicContact CB-CE 4.5Å; M120-M124 WeakPolarHBondContact O-CG 3.36Å; M120-M124 PolarHBondContact O-N 3.28Å
121I91.4Very high88.9Confident2 Ų268.9 Ų68.91%0.0138%0.376CS..Hα-helixtrans-67.5-43.6179.5-69.8160.4000111L88 Y92 Y99 M102 Y117 R118 G123 M124 I125L88-I121 HydrophobicContact CD1-CD1 4.26Å; L88-I121 HydrophobicContact CD2-CD1 4.15Å; L88-I121 HydrophobicContact CD2-CG1 3.82Å; L88-I121 HydrophobicContact CG-CD1 4.12Å; L88-I121 HydrophobicContact CG-CG1 4.03Å; Y92-I121 HydrophobicContact CD2-CD1 3.92Å; Y92-I121 HydrophobicContact CD2-CG1 4.35Å; Y92-I121 HydrophobicContact CD2-CG2 3.89Å; Y92-I121 HydrophobicContact CE2-CG2 3.68Å; Y92-I121 HydrophobicContact CG-CG2 4.48Å; Y99-I121 HydrophobicContact CE1-CD1 3.9Å; M102-I121 HydrophobicContact CE-CD1 3.73Å; Y117-I121 WeakPolarHBondContact O-CB 3.37Å; Y117-I121 VanDerWaalsContact O-CD1 3.28Å; Y117-I121 WeakPolarHBondContact O-CD1 3.4Å; Y117-I121 WeakPolarHBondContact O-CG1 3.45Å; Y117-I121 PolarHBondContact O-N 3.5Å; R118-I121 PolarHBondContact O-N 3.07Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 3.03Å; I121-M124 HydrophobicContact CB-CE 4.46Å; I121-M124 HydrophobicContact CG1-CE 3.94Å; I121-M124 PolarHBondContact O-N 3.23Å; I121-I125 HydrophobicContact CG2-CD1 3.68Å; I121-I125 HydrophobicContact CG2-CG1 4.31Å; I121-I125 WeakPolarHBondContact O-CB 3.25Å; I121-I125 VanDerWaalsContact O-CG1 3.25Å; I121-I125 WeakPolarHBondContact O-CG1 3.11Å; I121-I125 PolarHBondContact O-N 3.41Å
122E90.2Very high88Confident107 Ų10768.4 Ų68.450%0.538%0.379SS..Hα-helixtrans-60.2-41.8175.6-73.2174.3-176.200111.1R118 E119 I125 A126R118-E122 HydrophobicContact CG-CG 4.4Å; R118-E122 VanDerWaalsContact CG-OE1 3.27Å; R118-E122 WeakPolarHBondContact CG-OE1 3.47Å; R118-E122 WeakPolarHBondContact O-CB 3.04Å; R118-E122 WeakPolarHBondContact O-CG 3.46Å; R118-E122 PolarHBondContact O-N 3.18Å; E119-E122 PolarHBondContact O-N 3.26Å; E122-I125 PolarHBondContact O-N 3.49Å; E122-A126 WeakPolarHBondContact O-CB 3.38Å; E122-A126 PolarHBondContact O-N 3.28Å
123G90.7Very high86.8Confident42 Ų4264.9 Ų64.943%0.43336%0.363SS..Hα-helixtrans-60.3-44.717200000113.4E119 M120 I121 I125 A126 A127E119-G123 PolarHBondContact O-N 3.11Å; M120-G123 PolarHBondContact O-N 2.91Å; I121-G123 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 3.03Å; G123-I125 PolarHBondContact O-N 2.94Å; G123-A126 PolarHBondContact O-N 3.17Å; G123-A127 WeakPolarHBondContact O-CB 3.22Å; G123-A127 PolarHBondContact O-N 2.85Å
124M89.6Confident85.2Confident15 Ų1567 Ų677%0.07439%0.388CS..Hα-helixtrans-66.9-34177.1-74-175.1-7300113L88 A89 M120 I121 G128 E129 L130L88-M124 HydrophobicContact CD2-CE 4.1Å; L88-M124 HydrophobicContact CG-CE 4.4Å; A89-M124 HydrophobicContact CB-SD 4.04Å; M120-M124 HydrophobicContact CB-CE 4.5Å; M120-M124 WeakPolarHBondContact O-CG 3.36Å; M120-M124 PolarHBondContact O-N 3.28Å; I121-M124 HydrophobicContact CB-CE 4.46Å; I121-M124 HydrophobicContact CG1-CE 3.94Å; I121-M124 PolarHBondContact O-N 3.23Å; M124-G128 PolarHBondContact O-N 2.93Å; M124-E129 PolarHBondContact O-N 3.04Å; M124-L130 HydrophobicContact CB-CB 4.48Å; M124-L130 HydrophobicContact CB-CD1 3.74Å; M124-L130 HydrophobicContact CB-CG 3.99Å; M124-L130 HydrophobicContact CE-CD1 3.78Å; M124-L130 HydrophobicContact CG-CD1 4.47Å; M124-L130 PolarHBondContact O-N 3.22Å; M124-L130 HydrophobicContact SD-CD1 3.96Å
125I90.1Very high83.3Confident39 Ų3971 Ų7120%0.241%0.409CS..Hα-helixtrans-68.7-43.5173.8-69.3165.8000110I121 E122 G123 A127 G128 L130 L132I121-I125 HydrophobicContact CG2-CD1 3.68Å; I121-I125 HydrophobicContact CG2-CG1 4.31Å; I121-I125 WeakPolarHBondContact O-CB 3.25Å; I121-I125 VanDerWaalsContact O-CG1 3.25Å; I121-I125 WeakPolarHBondContact O-CG1 3.11Å; I121-I125 PolarHBondContact O-N 3.41Å; E122-I125 PolarHBondContact O-N 3.49Å; G123-I125 PolarHBondContact O-N 2.94Å; I125-A127 VanDerWaalsContact C-N 3.31Å; I125-A127 PolarHBondContact O-N 3.17Å; I125-G128 PolarHBondContact O-N 3.36Å; I125-L130 HydrophobicContact CG1-CB 3.95Å; I125-L132 HydrophobicContact CD1-CD2 3.83Å; I125-L132 HydrophobicContact CD1-CG 4.13Å; I125-L132 HydrophobicContact CG2-CD1 4.11Å; I125-L132 HydrophobicContact CG2-CG 3.95Å
126A89.9Confident81.3Confident90 Ų9069.2 Ų69.274%0.74440%0.397SS*.Hα-helixtrans-63.3-36.5176.600000112.3E122 G123 G128E122-A126 WeakPolarHBondContact O-CB 3.38Å; E122-A126 PolarHBondContact O-N 3.28Å; G123-A126 PolarHBondContact O-N 3.17Å; A126-G128 PolarHBondContact O-N 2.85Å
127A90.1Very high79.1Confident69 Ų6968.8 Ų68.857%0.5741%0.407SS*.THydrogen-bonded Turntrans-72.4-10.9173.300000113.8G123 I125 E129G123-A127 WeakPolarHBondContact O-CB 3.22Å; G123-A127 PolarHBondContact O-N 2.85Å; I125-A127 VanDerWaalsContact C-N 3.31Å; I125-A127 PolarHBondContact O-N 3.17Å; A127-E129 VanDerWaalsContact C-N 3.33Å; A127-E129 HydrophobicContact CB-CG 4.18Å
128G85.8Confident76.9Confident61 Ų6172.8 Ų72.863%0.62943%0.429SS*.THydrogen-bonded Turntrans79.210-178.900000114.9M124 I125 A126M124-G128 PolarHBondContact O-N 2.93Å; I125-G128 PolarHBondContact O-N 3.36Å; A126-G128 PolarHBondContact O-N 2.85Å
129E83Confident74.9Confident134 Ų13470.5 Ų70.563%0.62642%0.421SS*.SBendtrans-76.1-29.3179-62.6-175.4-179.800112.4M124 A127M124-E129 PolarHBondContact O-N 3.04Å; A127-E129 VanDerWaalsContact C-N 3.33Å; A127-E129 HydrophobicContact CB-CG 4.18Å
130L82.8Confident72.6Confident9 Ų968.4 Ų68.45%0.04741%0.412CS..SBendtrans-119.3143.3177.5-66-179.8000110.8A89 Y92 K93 M124 I125A89-L130 HydrophobicContact CB-CD1 4.34Å; A89-L130 HydrophobicContact CB-CD2 4.01Å; Y92-L130 HydrophobicContact CD1-CD1 3.99Å; Y92-L130 HydrophobicContact CD1-CD2 4.41Å; Y92-L130 HydrophobicContact CG-CD1 4.35Å; K93-L130 HydrophobicContact CD-CD2 4.37Å; K93-L130 HydrophobicContact CG-CD2 4.25Å; M124-L130 HydrophobicContact CB-CB 4.48Å; M124-L130 HydrophobicContact CB-CD1 3.74Å; M124-L130 HydrophobicContact CB-CG 3.99Å; M124-L130 HydrophobicContact CE-CD1 3.78Å; M124-L130 HydrophobicContact CG-CD1 4.47Å; M124-L130 PolarHBondContact O-N 3.22Å; M124-L130 HydrophobicContact SD-CD1 3.96Å; I125-L130 HydrophobicContact CG1-CB 3.95Å
131K77.1Confident70.3Confident171 Ų17174.2 Ų74.274%0.74343%0.432SS*.  trans-93.2142.6168.9-67-178.9-179.4177.80108.6Y92 E133Y92-K131 WeakPolarHBondContact CE1-O 3.26Å; K131-E133 PolarHBondContact O-N 3.16Å
132L70.7Confident67.8Low132 Ų13276.6 Ų76.669%0.69145%0.452SS*.  trans-61.4105.6168.9-79.6153.3000108.8I125I125-L132 HydrophobicContact CD1-CD2 3.83Å; I125-L132 HydrophobicContact CD1-CG 4.13Å; I125-L132 HydrophobicContact CG2-CD1 4.11Å; I125-L132 HydrophobicContact CG2-CG 3.95Å
133E64.2Low65.3Low70 Ų7075.5 Ų75.533%0.32746%0.455SS..  trans-101.6143169.7-70.6178.3171.800107.5N96 K131N96-E133 HydrophobicContact CB-CB 4.46Å; K131-E133 PolarHBondContact O-N 3.16Å
134G55.9Low62.9Low57 Ų5777 Ų7759%0.58846%0.456SS*.SBendtrans-52.5148.4-155.200000118.6
135D49.8Very low60.9Low110 Ų11081.6 Ų81.659%0.58849%0.485SS*.  trans50.256.9169.1-56.4-8000118.5A137 N138D135-A137 PolarHBondContact O-N 2.97Å; D135-N138 HydrophobicContact CB-CB 4.43Å; D135-N138 WeakPolarHBondContact CB-ND2 3.47Å; D135-N138 PolarHBondContact O-N 3.42Å; D135-N138 PolarHBondContact OD2-ND2 3.46Å; D135-N138 VanDerWaalsContact OD2-ND2 3.11Å
136T48.6Very low58.7Low42 Ų4288 Ų8826%0.25851%0.514SS..G310 helixtrans-56.1-13.6158.951.60000113.2Y92 N138Y92-T136 HydrophobicContact CE2-CG2 3.94Å; T136-N138 VanDerWaalsContact C-N 3.33Å; T136-N138 PolarHBondContact O-N 3.35Å
137A44.3Very low56.2Low55 Ų5586.5 Ų86.546%0.45551%0.507SS..G310 helixtrans-77.8-4.8177.100000115.2D135D135-A137 PolarHBondContact O-N 2.97Å
138N47.8Very low53.9Low87 Ų8788.6 Ų88.647%0.46551%0.509SS..G310 helixtrans-83-12.2-173.3-78.8-25.1000115.1D135 T136D135-N138 HydrophobicContact CB-CB 4.43Å; D135-N138 WeakPolarHBondContact CB-ND2 3.47Å; D135-N138 PolarHBondContact O-N 3.42Å; D135-N138 PolarHBondContact OD2-ND2 3.46Å; D135-N138 VanDerWaalsContact OD2-ND2 3.11Å; T136-N138 VanDerWaalsContact C-N 3.33Å; T136-N138 PolarHBondContact O-N 3.35Å
139N47.3Very low51.7Low13 Ų1394.5 Ų94.57%0.0752%0.52CS..SBendtrans-87.1-21.5-179.398.8-24.1000114.5Y99 R141 A142 S143Y99-N139 WeakPolarHBondContact CB-ND2 3.39Å; Y99-N139 HydrophobicContact CD2-CB 4.26Å; Y99-N139 VanDerWaalsContact CD2-ND2 3.29Å; Y99-N139 WeakPolarHBondContact CD2-ND2 3.38Å; N139-R141 PolarHBondContact O-N 3.33Å; N139-R141 VanDerWaalsContact O-N 3.11Å; N139-A142 PolarHBondContact O-N 3.38Å; N139-A142 VanDerWaalsContact O-N 3.14Å; N139-S143 PolarHBondContact O-N 2.93Å
140E44.6Very low49.4Very low98 Ų9893 Ų9346%0.45853%0.531SS..Hα-helixtrans-68-17-177.1-66177.4-165.100112.4R118 T144R118-E140 IonicContact CZ-OE1 3.45Å; R118-E140 IonicContact NH1-OE1 3.59Å; R118-E140 PolarHBondContact NH1-OE1 2.85Å; R118-E140 IonicContact NH2-OE1 2.6Å; R118-E140 PolarHBondContact NH2-OE1 2.8Å; E140-T144 PolarHBondContact O-OG1 3.47Å
141R42.8Very low47.9Very low156 Ų156100 Ų10059%0.58957%0.567SS**Hα-helixtrans-91.7-10179.3-63.4-179.8-1781496.1113.9N139 V145N139-R141 PolarHBondContact O-N 3.33Å; N139-R141 VanDerWaalsContact O-N 3.11Å; R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.27Å
142A38.2Very low46.6Very low52 Ų52100.2 Ų100.243%0.4357%0.571SS.*Hα-helixtrans-97.7-38.4178.200000111.2N139 V145N139-A142 PolarHBondContact O-N 3.38Å; N139-A142 VanDerWaalsContact O-N 3.14Å; A142-V145 PolarHBondContact O-N 3.31Å
143S37.9Very low45.5Very low83 Ų8399.3 Ų99.358%0.5857%0.573SS**Hα-helixtrans-73.8-26.7175.861.60000113.8N139 V145N139-S143 PolarHBondContact O-N 2.93Å; S143-V145 VanDerWaalsContact C-N 3.29Å; S143-V145 PolarHBondContact O-N 3.39Å
144T40.2Very low44.8Very low73 Ų73101.8 Ų101.845%0.44859%0.593SS.*Hα-helixtrans-79.9-2.4176.542.90000114.5E140 N148E140-T144 PolarHBondContact O-OG1 3.47Å; T144-N148 PolarHBondContact O-ND2 3.27Å
145V47.1Very low44.5Very low113 Ų113106.5 Ų106.569%0.68561%0.605SS**Hα-helixtrans-101-20.2-179-179.70000112.7R141 A142 S143R141-V145 VanDerWaalsContact O-CG2 3.27Å; R141-V145 WeakPolarHBondContact O-CG2 3.27Å; A142-V145 PolarHBondContact O-N 3.31Å; S143-V145 VanDerWaalsContact C-N 3.29Å; S143-V145 PolarHBondContact O-N 3.39Å
146E44.5Very low44.7Very low174 Ų174108.9 Ų108.981%0.81361%0.613SS**Hα-helixtrans-110.2-0.1179.8-67.7-170.9158.800114.3
147G37Very low44.3Very low58 Ų58113 Ų11360%0.59864%0.64SS**SBendtrans-116.33.1178.500000115.7
148N42.9Very low44Very low113 Ų113114.6 Ų114.660%0.60465%0.647SS**  trans-104.560.6178.9-66-18.6000110.3T144T144-N148 PolarHBondContact O-ND2 3.27Å
149E39.5Very low43.8Very low185 Ų185114 Ų11486%0.86465%0.649SS**  trans-110.2120.4164.8-167.1153.7-164.200106.1
150A35.3Very low44.1Very low102 Ų102117.7 Ų117.784%0.84368%0.676SS**  trans83.862.7-171.400000117.5
151L50.1Low44.8Very low156 Ų156122.1 Ų122.182%0.81769%0.689SS**  trans-113.4120.3145.1-91.8156.7000107.3
152E50.6Low45.6Very low175 Ų175117 Ų11782%0.81868%0.676SS**  trans-53.3142-179.7-69.1-156.2152.500111.4T154E152-T154 PolarHBondContact O-N 3.2Å
153P46.9Very low46.7Very low114 Ų114118 Ų11874%0.7468%0.675SS**  trans-62.3108.9-178.524.8-31000109.1D155P153-D155 PolarHBondContact O-N 2.94Å
154T48.9Very low48.2Very low121 Ų121117.6 Ų117.674%0.74267%0.668SS**  trans-74.3113.3166.949.70000107.6E152 Q156E152-T154 PolarHBondContact O-N 3.2Å; T154-Q156 PolarHBondContact O-N 3.34Å
155D50Low49.7Very low156 Ų156119.2 Ų119.283%0.83467%0.671SS**  trans-70.640.5176.4-74.7-30000112.8P153 P157P153-D155 PolarHBondContact O-N 2.94Å; D155-P157 WeakPolarHBondContact O-CD 3.29Å
156Q53.8Low50.8Low161 Ų161122.4 Ų122.475%0.75267%0.67SS**  trans-88.7116.8164.8-75.6-170.8-7.700108.3T154 C158T154-Q156 PolarHBondContact O-N 3.34Å; Q156-C158 PolarHBondContact O-N 3Å
157P41.5Very low52.3Low128 Ų128118 Ų11883%0.83165%0.653SS**  trans-66.691172.625.7-30.2000108.3D155 S159D155-P157 WeakPolarHBondContact O-CD 3.29Å; P157-S159 PolarHBondContact O-N 3.1Å
158C37.1Very low54.1Low89 Ų89120.9 Ų120.960%0.60165%0.651SS**  trans-61.5111.6166.7-153.90000105.6Q156 S160 L163Q156-C158 PolarHBondContact O-N 3Å; C158-S160 PolarHBondContact O-N 3.2Å; C158-L163 HydrophobicContact CB-CD1 4.32Å
159S44.7Very low55.8Low73 Ų73118.9 Ų118.951%0.5165%0.645SS.*  trans-46104.7-177.7168.50000109.6P157 R161 S162P157-S159 PolarHBondContact O-N 3.1Å; S159-R161 PolarHBondContact O-N 3.38Å; S159-S162 PolarHBondContact O-N 3.25Å; S159-S162 PolarHBondContact O-OG 3.44Å
160S52.6Low57.8Low92 Ų92116.7 Ų116.764%0.64363%0.629SS**Hα-helixtrans-54.6-30.1-17555.30000110.9C158 S162 L163 V164C158-S160 PolarHBondContact O-N 3.2Å; S160-S162 PolarHBondContact O-N 2.89Å; S160-L163 PolarHBondContact O-N 3.21Å; S160-V164 WeakPolarHBondContact O-CB 3.31Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 3.14Å
161R58.4Low60Low191 Ų191115.8 Ų115.872%0.72161%0.61SS**Hα-helixtrans-62.1-37.4176.6-140.5170.4-167.7176.12.6113.3S159 Q165S159-R161 PolarHBondContact O-N 3.38Å; R161-Q165 VanDerWaalsContact O-CB 3.32Å; R161-Q165 WeakPolarHBondContact O-CB 3.47Å; R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.33Å
162S61.6Low61.6Low47 Ų47110.2 Ų110.233%0.32959%0.586SS.*Hα-helixtrans-73.5-38.9-179.573.60000112.5S159 S160 R166S159-S162 PolarHBondContact O-N 3.25Å; S159-S162 PolarHBondContact O-OG 3.44Å; S160-S162 PolarHBondContact O-N 2.89Å; S162-R166 VanDerWaalsContact O-CB 3.31Å; S162-R166 WeakPolarHBondContact O-CB 3.31Å; S162-R166 PolarHBondContact O-N 3.34Å
163L60Low63.2Low75 Ų75111 Ų11139%0.39358%0.582SS.*Hα-helixtrans-68.9-43.9175.7-90.4162.4000111.4C158 S160 R166 N167C158-L163 HydrophobicContact CB-CD1 4.32Å; S160-L163 PolarHBondContact O-N 3.21Å; L163-R166 PolarHBondContact O-N 3.19Å; L163-N167 WeakPolarHBondContact O-CB 3.45Å; L163-N167 VanDerWaalsContact O-CG 3.31Å; L163-N167 PolarHBondContact O-N 2.65Å; L163-N167 PolarHBondContact O-ND2 3.08Å
164V70.5Confident65Low73 Ų73109.5 Ų109.544%0.44257%0.567SS.*Hα-helixtrans-60.4-48.3175.1172.90000110.3S160 R166 N167 E168S160-V164 WeakPolarHBondContact O-CB 3.31Å; S160-V164 WeakPolarHBondContact O-CG2 3.47Å; S160-V164 PolarHBondContact O-N 3.14Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.72Å; V164-N167 PolarHBondContact O-N 2.89Å; V164-E168 HydrophobicContact CG1-CG 4.25Å; V164-E168 WeakPolarHBondContact CG1-OE1 3.38Å; V164-E168 WeakPolarHBondContact O-CB 3.3Å; V164-E168 VanDerWaalsContact O-CG 3.29Å; V164-E168 WeakPolarHBondContact O-CG 3.09Å; V164-E168 PolarHBondContact O-N 3.35Å
165Q71.8Confident66.7Low108 Ų108112.9 Ų112.951%0.50557%0.566SS.*Hα-helixtrans-59.2-41175.7-77172.9-2.900112.7R161 S169R161-Q165 VanDerWaalsContact O-CB 3.32Å; R161-Q165 WeakPolarHBondContact O-CB 3.47Å; R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.33Å; Q165-S169 WeakPolarHBondContact O-CB 3.13Å; Q165-S169 PolarHBondContact O-N 3.11Å; Q165-S169 PolarHBondContact O-OG 3.39Å
166R68.8Low68.4Low179 Ų179114.2 Ų114.268%0.67556%0.559SS**Hα-helixtrans-65.9-41.5177.7-163.7-176.8-72.2-175.6-2.2111.4S162 L163 V164 S169 R170S162-R166 VanDerWaalsContact O-CB 3.31Å; S162-R166 WeakPolarHBondContact O-CB 3.31Å; S162-R166 PolarHBondContact O-N 3.34Å; L163-R166 PolarHBondContact O-N 3.19Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.72Å; R166-S169 WeakPolarHBondContact O-CB 3.46Å; R166-S169 PolarHBondContact O-N 3.25Å; R166-R170 PolarHBondContact O-N 2.89Å
167N77Confident69.9Low82 Ų82109 Ų10944%0.43954%0.543SS..Hα-helixtrans-70-40.4177.8-75.1-20.1000112.3L163 V164 S169 R170 N171L163-N167 WeakPolarHBondContact O-CB 3.45Å; L163-N167 VanDerWaalsContact O-CG 3.31Å; L163-N167 PolarHBondContact O-N 2.65Å; L163-N167 PolarHBondContact O-ND2 3.08Å; V164-N167 PolarHBondContact O-N 2.89Å; N167-S169 VanDerWaalsContact C-N 3.34Å; N167-R170 PolarHBondContact O-N 3.35Å; N167-N171 WeakPolarHBondContact O-CB 3.44Å; N167-N171 VanDerWaalsContact O-CG 3.28Å; N167-N171 PolarHBondContact O-N 3.22Å; N167-N171 PolarHBondContact O-ND2 2.92Å
168E75Confident72.1Confident119 Ų119106.5 Ų106.556%0.55652%0.523SS*.Hα-helixtrans-60.9-44.2172.9-76175.7173.700111.2V164 R170 N171 A172V164-E168 HydrophobicContact CG1-CG 4.25Å; V164-E168 WeakPolarHBondContact CG1-OE1 3.38Å; V164-E168 WeakPolarHBondContact O-CB 3.3Å; V164-E168 VanDerWaalsContact O-CG 3.29Å; V164-E168 WeakPolarHBondContact O-CG 3.09Å; V164-E168 PolarHBondContact O-N 3.35Å; E168-R170 PolarHBondContact O-N 2.88Å; E168-N171 PolarHBondContact O-N 3.46Å; E168-A172 VanDerWaalsContact O-CB 3.29Å; E168-A172 WeakPolarHBondContact O-CB 3.09Å; E168-A172 PolarHBondContact O-N 3.28Å
169S78.9Confident74.5Confident71 Ų71109.3 Ų109.350%0.49753%0.525SS..Hα-helixtrans-59.8-44.3175.4-58.20000111.9Q165 R166 N167 A172 R173Q165-S169 WeakPolarHBondContact O-CB 3.13Å; Q165-S169 PolarHBondContact O-N 3.11Å; Q165-S169 PolarHBondContact O-OG 3.39Å; R166-S169 WeakPolarHBondContact O-CB 3.46Å; R166-S169 PolarHBondContact O-N 3.25Å; N167-S169 VanDerWaalsContact C-N 3.34Å; S169-A172 PolarHBondContact O-N 3.37Å; S169-R173 WeakPolarHBondContact O-CG 3.48Å; S169-R173 PolarHBondContact O-N 3.18Å; S169-R173 VanDerWaalsContact O-N 3.07Å
170R80.4Confident76.3Confident138 Ų138111.3 Ų111.352%0.52153%0.529SS..Hα-helixtrans-63.4-48176.5-173.9176.6-180161.4-1.7111.3R166 N167 E168 A172 R173 I174R166-R170 PolarHBondContact O-N 2.89Å; N167-R170 PolarHBondContact O-N 3.35Å; E168-R170 PolarHBondContact O-N 2.88Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.04Å; R170-R173 WeakPolarHBondContact O-CB 2.98Å; R170-R173 PolarHBondContact O-N 3.35Å; R170-I174 HydrophobicContact CG-CD1 4.26Å; R170-I174 WeakPolarHBondContact O-CG1 3.11Å; R170-I174 PolarHBondContact O-N 2.69Å
171N81.6Confident77.7Confident83 Ų83114.6 Ų114.644%0.44453%0.528SS..Hα-helixtrans-64.1-36.9178.7-73.4-21.6000112.1N167 E168 I174 R175N167-N171 WeakPolarHBondContact O-CB 3.44Å; N167-N171 VanDerWaalsContact O-CG 3.28Å; N167-N171 PolarHBondContact O-N 3.22Å; N167-N171 PolarHBondContact O-ND2 2.92Å; E168-N171 PolarHBondContact O-N 3.46Å; N171-I174 PolarHBondContact O-N 2.99Å; N171-R175 WeakPolarHBondContact O-CB 3.45Å; N171-R175 VanDerWaalsContact O-CG 3.31Å; N171-R175 WeakPolarHBondContact O-CG 3.34Å; N171-R175 PolarHBondContact O-N 3.47Å
172A84Confident78.8Confident39 Ų39113.3 Ų113.332%0.32253%0.527SS..Hα-helixtrans-63.8-41.817400000112.2E168 S169 R170 R175 R176E168-A172 VanDerWaalsContact O-CB 3.29Å; E168-A172 WeakPolarHBondContact O-CB 3.09Å; E168-A172 PolarHBondContact O-N 3.28Å; S169-A172 PolarHBondContact O-N 3.37Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.04Å; A172-R175 PolarHBondContact O-N 3.38Å; A172-R176 WeakPolarHBondContact O-CG 3.45Å; A172-R176 PolarHBondContact O-N 2.85Å
173R84Confident79.7Confident192 Ų192118.2 Ų118.273%0.72554%0.539SS*.Hα-helixtrans-61.3-46.1174.2-77.4176.4159.6-179.8-5.4111.9S169 R170 R175 R176 A177S169-R173 WeakPolarHBondContact O-CG 3.48Å; S169-R173 PolarHBondContact O-N 3.18Å; S169-R173 VanDerWaalsContact O-N 3.07Å; R170-R173 WeakPolarHBondContact O-CB 2.98Å; R170-R173 PolarHBondContact O-N 3.35Å; R173-R175 PolarHBondContact O-N 3.37Å; R173-R176 PolarHBondContact O-N 2.62Å; R173-A177 PolarHBondContact O-N 3.31Å
174I84.4Confident80.5Confident82 Ų82117 Ų11742%0.42154%0.539SS..Hα-helixtrans-61.3-44.9177.3-65.6167.2000111R170 N171 R176 A177 N178R170-I174 HydrophobicContact CG-CD1 4.26Å; R170-I174 WeakPolarHBondContact O-CG1 3.11Å; R170-I174 PolarHBondContact O-N 2.69Å; N171-I174 PolarHBondContact O-N 2.99Å; I174-R176 PolarHBondContact O-N 3.41Å; I174-A177 PolarHBondContact O-N 3.37Å; I174-N178 WeakPolarHBondContact O-CB 3.43Å; I174-N178 PolarHBondContact O-N 3.32Å
175R84.5Confident80.7Confident192 Ų192122.7 Ų122.773%0.72555%0.553SS**Hα-helixtrans-60-42.4176-73.5174.1-179.3164.61.1112N171 A172 R173 N178 K179N171-R175 WeakPolarHBondContact O-CB 3.45Å; N171-R175 VanDerWaalsContact O-CG 3.31Å; N171-R175 WeakPolarHBondContact O-CG 3.34Å; N171-R175 PolarHBondContact O-N 3.47Å; A172-R175 PolarHBondContact O-N 3.38Å; R173-R175 PolarHBondContact O-N 3.37Å; R175-N178 PolarHBondContact O-N 3.49Å; R175-K179 WeakPolarHBondContact O-CB 3.29Å; R175-K179 PolarHBondContact O-N 2.95Å
176R86.5Confident80.8Confident185 Ų185124.7 Ų124.770%0.69856%0.56SS**Hα-helixtrans-62.6-47.4175.8-73.6175.8-176.9176.22.7111.7A172 R173 I174 N178 K179 L180A172-R176 WeakPolarHBondContact O-CG 3.45Å; A172-R176 PolarHBondContact O-N 2.85Å; R173-R176 PolarHBondContact O-N 2.62Å; I174-R176 PolarHBondContact O-N 3.41Å; R176-N178 PolarHBondContact O-N 3.12Å; R176-K179 PolarHBondContact O-N 3.34Å; R176-L180 WeakPolarHBondContact O-CG 3.34Å; R176-L180 PolarHBondContact O-N 3Å
177A85.7Confident80.5Confident50 Ų50124.3 Ų124.341%0.41356%0.56SS.*Hα-helixtrans-61-42.2178.200000112.3R173 I174 K179 L180 R181R173-A177 PolarHBondContact O-N 3.31Å; I174-A177 PolarHBondContact O-N 3.37Å; A177-K179 PolarHBondContact O-N 3.3Å; A177-L180 PolarHBondContact O-N 2.91Å; A177-R181 PolarHBondContact O-N 3.48Å
178N87.5Confident79.7Confident76 Ų76128.9 Ų128.941%0.40658%0.576SS.*Hα-helixtrans-66.2-37.1176-79.4-25.3000112.6I174 R175 R176 R181 K182I174-N178 WeakPolarHBondContact O-CB 3.43Å; I174-N178 PolarHBondContact O-N 3.32Å; R175-N178 PolarHBondContact O-N 3.49Å; R176-N178 PolarHBondContact O-N 3.12Å; N178-R181 PolarHBondContact O-N 2.98Å; N178-K182 WeakPolarHBondContact O-CB 3.36Å; N178-K182 WeakPolarHBondContact O-CG 3.24Å; N178-K182 PolarHBondContact O-N 3.4Å
179K86.1Confident78.4Confident148 Ų148133 Ų13364%0.64359%0.586SS**Hα-helixtrans-64.9-39.3174.2-158.9170.7-172.6175.80111.4R175 R176 A177 R183R175-K179 WeakPolarHBondContact O-CB 3.29Å; R175-K179 PolarHBondContact O-N 2.95Å; R176-K179 PolarHBondContact O-N 3.34Å; A177-K179 PolarHBondContact O-N 3.3Å; K179-R183 WeakPolarHBondContact O-CB 3.48Å; K179-R183 WeakPolarHBondContact O-CG 3.32Å; K179-R183 PolarHBondContact O-N 3.19Å
180L83.8Confident77Confident115 Ų115134.3 Ų134.360%0.60259%0.593SS**Hα-helixtrans-66.3-45.3173.8-71.4169.9000112.3R176 A177 K182 R183 A184R176-L180 WeakPolarHBondContact O-CG 3.34Å; R176-L180 PolarHBondContact O-N 3Å; A177-L180 PolarHBondContact O-N 2.91Å; L180-K182 PolarHBondContact O-N 2.92Å; L180-R183 PolarHBondContact O-N 3.06Å; L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.18Å
181R82Confident75.5Confident162 Ų162135.8 Ų135.861%0.61161%0.609SS**Hα-helixtrans-59.6-43.7174.2-82.717691.2-1769.5112.2A177 N178 A184 R185A177-R181 PolarHBondContact O-N 3.48Å; N178-R181 PolarHBondContact O-N 2.98Å; R181-A184 PolarHBondContact O-N 3.27Å; R181-R185 PolarHBondContact O-N 2.87Å
182K82Confident73.9Confident163 Ų163142.9 Ų142.971%0.70963%0.63SS**Hα-helixtrans-63.3-41.8176.1-74.8-175.4-179.9-1750111.8N178 L180 R185 K186N178-K182 WeakPolarHBondContact O-CB 3.36Å; N178-K182 WeakPolarHBondContact O-CG 3.24Å; N178-K182 PolarHBondContact O-N 3.4Å; L180-K182 PolarHBondContact O-N 2.92Å; K182-R185 PolarHBondContact O-N 3.01Å; K182-K186 PolarHBondContact O-N 3.01Å
183R78.5Confident72.2Confident150 Ų150145.5 Ų145.557%0.56664%0.642SS**Hα-helixtrans-62.4-48.2172.9-79.3179.1135171.8-4.7111.6K179 L180 R185 K186 Y187K179-R183 WeakPolarHBondContact O-CB 3.48Å; K179-R183 WeakPolarHBondContact O-CG 3.32Å; K179-R183 PolarHBondContact O-N 3.19Å; L180-R183 PolarHBondContact O-N 3.06Å; R183-R185 VanDerWaalsContact C-N 3.31Å; R183-R185 PolarHBondContact O-N 2.88Å; R183-K186 WeakPolarHBondContact O-CA 3.32Å; R183-K186 WeakPolarHBondContact O-CB 3.31Å; R183-K186 PolarHBondContact O-N 3.45Å; R183-Y187 HydrophobicContact CB-CD2 4.46Å; R183-Y187 HydrophobicContact CB-CE2 4.44Å; R183-Y187 WeakPolarHBondContact O-CD2 3.47Å; R183-Y187 PolarHBondContact O-N 3.32Å
184A77.2Confident70.6Confident49 Ų49147.1 Ų147.141%0.40565%0.648SS.*Hα-helixtrans-59-40.6178.600000112L180 R181 Y187 K188L180-A184 WeakPolarHBondContact O-CB 3.42Å; L180-A184 PolarHBondContact O-N 3.18Å; R181-A184 PolarHBondContact O-N 3.27Å; A184-Y187 PolarHBondContact O-N 3.4Å; A184-K188 WeakPolarHBondContact O-CB 3.49Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 3.45Å
185R75.2Confident69Low193 Ų193154.4 Ų154.473%0.72867%0.67SS**Hα-helixtrans-65-36.4172.3-76.6-178.2177.1178.8-1.1113R181 K182 R183R181-R185 PolarHBondContact O-N 2.87Å; K182-R185 PolarHBondContact O-N 3.01Å; R183-R185 VanDerWaalsContact C-N 3.31Å; R183-R185 PolarHBondContact O-N 2.88Å
186K74Confident67.3Low151 Ų151150.1 Ų150.166%0.65766%0.661SS**Hα-helixtrans-67.8-36.8178.2-169.2174.2-177.7177.40112.5K182 R183K182-K186 PolarHBondContact O-N 3.01Å; R183-K186 WeakPolarHBondContact O-CA 3.32Å; R183-K186 WeakPolarHBondContact O-CB 3.31Å; R183-K186 PolarHBondContact O-N 3.45Å
187Y63.4Low65.7Low170 Ų170151.1 Ų151.167%0.66767%0.665SS**Hα-helixtrans-97.1-21.6-177.4-62.5-73.1000114.5R183 A184 R189R183-Y187 HydrophobicContact CB-CD2 4.46Å; R183-Y187 HydrophobicContact CB-CE2 4.44Å; R183-Y187 WeakPolarHBondContact O-CD2 3.47Å; R183-Y187 PolarHBondContact O-N 3.32Å; A184-Y187 PolarHBondContact O-N 3.4Å; Y187-R189 PolarHBondContact O-N 3.27Å
188K59.3Low64.2Low179 Ų179152.4 Ų152.478%0.77867%0.671SS**  trans-75.958.8162.6-75.6-175.1172.2-175.10110A184A184-K188 WeakPolarHBondContact O-CB 3.49Å; A184-K188 WeakPolarHBondContact O-CG 3.49Å; A184-K188 PolarHBondContact O-N 3.45Å
189R46.8Very low62.6Low206 Ų206155.3 Ų155.378%0.77768%0.676SS**  trans-73.5137.1157.5-75.5-174166.9-159.7-4.8107.3Y187 I191Y187-R189 PolarHBondContact O-N 3.27Å; R189-I191 PolarHBondContact O-N 2.9Å
190P49.9Very low61Low98 Ų98155 Ų15564%0.63667%0.672SS**  trans-57.7126.8-179.622.8-31.8000109.3R192P190-R192 PolarHBondContact O-N 2.89Å
191I48.7Very low59.8Low168 Ų168157.5 Ų157.586%0.86268%0.678SS**G310 helixtrans-57.5-3.8172-76.7159.8000112R189R189-I191 PolarHBondContact O-N 2.9Å
192R48.6Very low58.8Low233 Ų233153.9 Ų153.988%0.87967%0.674SS**G310 helixtrans-87.27.9-175.3-90.3-174.2179.3-171.90.5118.5P190P190-R192 PolarHBondContact O-N 2.89Å
193V48.6Very low57.6Low94 Ų94153.8 Ų153.857%0.5767%0.669SS**G310 helixtrans-123.60.9177.4-146.90000115.4
194R50.9Low56.5Low226 Ų226156.5 Ų156.585%0.85368%0.68SS**Hα-helixtrans-96-19.5-176.1-147.6170.6163.2178.4-6.5115.3
195R50.4Low55.6Low234 Ų234159.9 Ų159.988%0.88369%0.691SS**Hα-helixtrans-78.8-24.4176.2-83.5-170.9-179.7-167.40.6114.6
196L48Very low54.6Low103 Ų103157.4 Ų157.454%0.53969%0.691SS.*Hα-helixtrans-76.7-38.9-180-82.5148000112.7S198 W199 Y200L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 3.4Å; L196-W199 PolarHBondContact O-N 3.38Å; L196-Y200 HydrophobicContact CD2-CE2 3.89Å; L196-Y200 WeakPolarHBondContact O-CD2 3.23Å; L196-Y200 PolarHBondContact O-N 3.27Å
197R52.7Low53.8Low205 Ų205160.9 Ų160.977%0.77470%0.7SS**Hα-helixtrans-71.5-24.5-178.6-76.7-178.3174.8-112.80.1114.6K201R197-K201 PolarHBondContact O-N 2.92Å
198S54.8Low53.6Low77 Ų77157 Ų15754%0.53870%0.698SS.*Hα-helixtrans-74.7-39.1173.1-164.70000111.3L196 Y200 K201 T202L196-S198 VanDerWaalsContact C-N 3.35Å; L196-S198 PolarHBondContact O-N 3.4Å; S198-Y200 PolarHBondContact O-N 3.08Å; S198-K201 PolarHBondContact O-N 3.23Å; S198-T202 PolarHBondContact O-N 2.72Å; S198-T202 PolarHBondContact O-OG1 2.83Å
199W54.6Low53.6Low137 Ų137153.1 Ų153.152%0.51969%0.693SS.*Hα-helixtrans-66.9-36-178.8-162.381.8000112.6L196 R203L196-W199 PolarHBondContact O-N 3.38Å; W199-R203 WeakPolarHBondContact O-CB 3.25Å; W199-R203 PolarHBondContact O-N 2.61Å
200Y51.5Low54Low141 Ų141152.6 Ų152.655%0.55370%0.697SS**Hα-helixtrans-74.5-27.2175.1-75.1-73.8000113.8L196 S198 W204L196-Y200 HydrophobicContact CD2-CE2 3.89Å; L196-Y200 WeakPolarHBondContact O-CD2 3.23Å; L196-Y200 PolarHBondContact O-N 3.27Å; S198-Y200 PolarHBondContact O-N 3.08Å; Y200-W204 PolarHBondContact O-N 2.98Å
201K59.8Low54Low168 Ų168160.8 Ų160.873%0.7372%0.723SS**Hα-helixtrans-82.3-35.8-179.8-106.8-178.2174.4-171.90113.9R197 S198R197-K201 PolarHBondContact O-N 2.92Å; S198-K201 PolarHBondContact O-N 3.23Å
202T59.9Low54.3Low86 Ų86160.5 Ų160.553%0.52872%0.716SS.*Hα-helixtrans-77.7-31.7175.933.40000112.6S198S198-T202 PolarHBondContact O-N 2.72Å; S198-T202 PolarHBondContact O-OG1 2.83Å
203R56.9Low54.6Low161 Ų161156.6 Ų156.661%0.60871%0.708SS**Hα-helixtrans-78.9-24.9-178.5-156.9170-172.6174.21.5114.1W199W199-R203 WeakPolarHBondContact O-CB 3.25Å; W199-R203 PolarHBondContact O-N 2.61Å
204W54.6Low55Low208 Ų208160.1 Ų160.179%0.78872%0.715SS**Hα-helixtrans-79.9-34.9174.8-108.581000113.3Y200 L206 R207Y200-W204 PolarHBondContact O-N 2.98Å; W204-L206 PolarHBondContact O-N 3.44Å; W204-R207 PolarHBondContact O-N 3.4Å
205N59.2Low55.2Low120 Ų120156.2 Ų156.264%0.64271%0.707SS**Hα-helixtrans-70.8-30.4178.7-86.6-7.2000113.6R207 S208N205-R207 PolarHBondContact O-N 2.91Å; N205-S208 PolarHBondContact O-N 2.79Å
206L54.8Low55.5Low141 Ų141151.4 Ų151.474%0.73870%0.696SS**THydrogen-bonded Turntrans-73.1-13.7176.6-83.9152.2000113.9W204W204-L206 PolarHBondContact O-N 3.44Å
207R57.3Low56Low224 Ų224154.6 Ų154.685%0.84571%0.707SS**THydrogen-bonded Turntrans-96.2-9.8178.3-136177.8178-157.6-2.3113.5W204 N205W204-R207 PolarHBondContact O-N 3.4Å; N205-R207 PolarHBondContact O-N 2.91Å
208S58.9Low56.2Low87 Ų87151 Ų15161%0.60870%0.702SS**SBendtrans-90.7-11.2177.6-179.40000113.6N205N205-S208 PolarHBondContact O-N 2.79Å
209S58.4Low56.3Low98 Ų98156.7 Ų156.769%0.68571%0.714SS**SBendtrans-104.522.7-175.3-58.60000113.7
210F55.6Low56.5Low196 Ų196158.3 Ų158.386%0.8673%0.731SS**  trans-11825.3174.2-114-85.7000112.9
211F50.7Low56.9Low270 Ų270159.9 Ų159.9100%1.18475%0.747SS**  trans-120.90160.9-108.8-84.6000108.7

Retrieved 211 of 211 residues in 171 ms (Link to these results)

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