A0A087XWU7_POEFO Loading...

Chromosome 19 open reading frame 47

AlphaFold DB , UniProt , Accession A0A087XWU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.1Low78.3Confident208 Ų20879.2 Ų79.2100%1.02547%0.472SS*.  0-41.50-67.1-65.7-15900113T3 V4M1-T3 PolarHBondContact O-N 3.15Å; M1-V4 PolarHBondContact O-N 3.3Å
2A54.9Low79.8Confident77 Ų7775.8 Ų75.864%0.63645%0.45SS*.Hα-helixtrans-65.5-27.1-174.400000116.2T5 T6A2-T5 PolarHBondContact O-OG1 3Å; A2-T6 PolarHBondContact O-N 3.49Å
3T63.2Low81Confident107 Ų10776.2 Ų76.266%0.65644%0.444SS*.Hα-helixtrans-74.8-28-179.649.90000113.6M1 T6 A7M1-T3 PolarHBondContact O-N 3.15Å; T3-T6 WeakPolarHBondContact CA-OG1 3.37Å; T3-T6 PolarHBondContact O-OG1 3.5Å; T3-A7 WeakPolarHBondContact O-CB 3.43Å; T3-A7 PolarHBondContact O-N 3.08Å; T3-A7 VanDerWaalsContact O-N 3.1Å
4V69.4Low82.1Confident77 Ų7772.1 Ų72.147%0.46742%0.418SS..Hα-helixtrans-69-45.4178.9-179.30000109.2M1 T6 A7 T8 V33M1-V4 PolarHBondContact O-N 3.3Å; V4-T6 VanDerWaalsContact C-N 3.32Å; V4-T6 PolarHBondContact O-N 3.36Å; V4-A7 PolarHBondContact O-N 3.42Å; V4-T8 PolarHBondContact O-N 3.12Å; V4-T8 PolarHBondContact O-OG1 3.28Å; V4-V33 HydrophobicContact CG1-CG1 4.28Å
5T75.4Confident83.2Confident96 Ų9667.3 Ų67.359%0.58939%0.39SS*.Hα-helixtrans-62.6-35.7178.541.30000113.3A2 S9A2-T5 PolarHBondContact O-OG1 3Å; T5-S9 PolarHBondContact O-N 3.46Å; T5-S9 VanDerWaalsContact O-N 3.16Å
6T81.8Confident84Confident76 Ų7668.9 Ų68.947%0.46639%0.391SS..Hα-helixtrans-71.7-44.2176.554.80000111.3A2 T3 V4 T8 S9 E10A2-T6 PolarHBondContact O-N 3.49Å; T3-T6 WeakPolarHBondContact CA-OG1 3.37Å; T3-T6 PolarHBondContact O-OG1 3.5Å; V4-T6 VanDerWaalsContact C-N 3.32Å; V4-T6 PolarHBondContact O-N 3.36Å; T6-T8 VanDerWaalsContact C-N 3.35Å; T6-T8 PolarHBondContact O-N 3.06Å; T6-S9 PolarHBondContact O-N 3.37Å; T6-S9 VanDerWaalsContact O-N 3.13Å; T6-S9 PolarHBondContact O-OG 2.75Å; T6-E10 PolarHBondContact O-N 3.49Å; T6-E10 VanDerWaalsContact O-N 3.15Å
7A86.2Confident84.7Confident33 Ų3370.6 Ų70.627%0.27340%0.399SS..Hα-helixtrans-61.1-42.9177.100000111.9T3 V4 S9 E10 W11 V33T3-A7 WeakPolarHBondContact O-CB 3.43Å; T3-A7 PolarHBondContact O-N 3.08Å; T3-A7 VanDerWaalsContact O-N 3.1Å; V4-A7 PolarHBondContact O-N 3.42Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 3.3Å; A7-E10 PolarHBondContact O-N 3.32Å; A7-W11 PolarHBondContact O-N 3.41Å; A7-V33 HydrophobicContact CB-CG2 4.28Å
8T91.5Very high85.4Confident21 Ų2167.7 Ų67.713%0.12939%0.385CS..Hα-helixtrans-61.2-40.2175.3-48.30000111.2V4 T6 E10 W11 I12 A29 V30V4-T8 PolarHBondContact O-N 3.12Å; V4-T8 PolarHBondContact O-OG1 3.28Å; T6-T8 VanDerWaalsContact C-N 3.35Å; T6-T8 PolarHBondContact O-N 3.06Å; T8-E10 VanDerWaalsContact C-N 3.34Å; T8-E10 PolarHBondContact O-N 3.4Å; T8-W11 PolarHBondContact O-N 2.94Å; T8-I12 HydrophobicContact CG2-CD1 3.98Å; T8-I12 HydrophobicContact CG2-CG1 4.41Å; T8-I12 WeakPolarHBondContact O-CD1 3.43Å; T8-I12 WeakPolarHBondContact O-CG1 3.46Å; T8-I12 PolarHBondContact O-N 2.96Å; T8-A29 HydrophobicContact CG2-CB 3.91Å; T8-V30 HydrophobicContact CG2-CG2 4.05Å
9S93.2Very high86Confident63 Ų6367.3 Ų67.344%0.44140%0.398SS..Hα-helixtrans-64-35.717976.10000113.7T5 T6 A7 I12 Q13T5-S9 PolarHBondContact O-N 3.46Å; T5-S9 VanDerWaalsContact O-N 3.16Å; T6-S9 PolarHBondContact O-N 3.37Å; T6-S9 VanDerWaalsContact O-N 3.13Å; T6-S9 PolarHBondContact O-OG 2.75Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 3.3Å; S9-I12 PolarHBondContact O-N 3.23Å; S9-Q13 PolarHBondContact O-N 2.95Å
10E94.3Very high86.5Confident97 Ų9764.3 Ų64.345%0.45338%0.379SS..Hα-helixtrans-66-44175.4-68.6-175-154.900111.7T6 A7 T8 Q13 F14 K39T6-E10 PolarHBondContact O-N 3.49Å; T6-E10 VanDerWaalsContact O-N 3.15Å; A7-E10 PolarHBondContact O-N 3.32Å; T8-E10 VanDerWaalsContact C-N 3.34Å; T8-E10 PolarHBondContact O-N 3.4Å; E10-Q13 PolarHBondContact O-N 3.47Å; E10-F14 PolarHBondContact O-N 2.82Å; E10-K39 WeakPolarHBondContact OE2-CE 3.48Å; E10-K39 IonicContact OE2-NZ 2.73Å; E10-K39 PolarHBondContact OE2-NZ 3.21Å
11W96.1Very high87Confident16 Ų1664.8 Ų64.86%0.06139%0.385CS..Hα-helixtrans-66-39.1176-73.6116.1000112A7 T8 Q13 F14 F15 A29 F32 I37 K39 L42A7-W11 PolarHBondContact O-N 3.41Å; T8-W11 PolarHBondContact O-N 2.94Å; W11-Q13 VanDerWaalsContact C-N 3.27Å; W11-Q13 PolarHBondContact O-N 3.28Å; W11-F14 HydrophobicContact CE3-CB 4.31Å; W11-F14 AromaticContact CE3-CD1 3.99Å; W11-F14 HydrophobicContact CE3-CD1 3.99Å; W11-F14 HydrophobicContact CE3-CG 4.17Å; W11-F14 HydrophobicContact CZ3-CD1 4.12Å; W11-F14 HydrophobicContact CZ3-CE1 4.35Å; W11-F14 HydrophobicContact CZ3-CG 4.28Å; W11-F14 WeakPolarHBondContact O-CB 3.48Å; W11-F14 PolarHBondContact O-N 2.89Å; W11-F15 HydrophobicContact CB-CD2 4.49Å; W11-F15 HydrophobicContact CB-CE2 4.1Å; W11-F15 HydrophobicContact CE3-CZ 4.49Å; W11-F15 WeakPolarHBondContact O-CD2 3.43Å; W11-F15 WeakPolarHBondContact O-CG 3.33Å; W11-F15 PolarHBondContact O-N 2.94Å; W11-A29 HydrophobicContact CB-CB 3.59Å; W11-F32 HydrophobicContact CD2-CB 4.14Å; W11-F32 HydrophobicContact CD2-CD1 4.03Å; W11-F32 AromaticContact CE3-CD1 3.62Å; W11-F32 HydrophobicContact CE3-CD1 3.62Å; W11-F32 HydrophobicContact CE3-CE1 4.25Å; W11-F32 HydrophobicContact CE3-CG 4.41Å; W11-F32 HydrophobicContact CG-CB 4.26Å; W11-F32 AromaticContact CH2-CD1 3.9Å; W11-F32 HydrophobicContact CH2-CD1 3.9Å; W11-F32 HydrophobicContact CH2-CE1 4.38Å; W11-F32 HydrophobicContact CZ2-CD1 4.28Å; W11-F32 AromaticContact CZ3-CD1 3.55Å; W11-F32 HydrophobicContact CZ3-CD1 3.55Å; W11-F32 AromaticContact CZ3-CE1 3.89Å; W11-F32 HydrophobicContact CZ3-CE1 3.89Å; W11-I37 HydrophobicContact CH2-CG2 4.15Å; W11-I37 HydrophobicContact CZ2-CG2 4.37Å; W11-I37 WeakPolarHBondContact CZ2-O 3.49Å; W11-K39 HydrophobicContact CH2-CG 4.33Å; W11-K39 HydrophobicContact CZ2-CG 4.49Å; W11-L42 HydrophobicContact CH2-CD2 4.5Å; W11-L42 HydrophobicContact CZ3-CD2 4.3Å
12I96.5Very high88.8Confident39 Ų3957.9 Ų57.920%0.236%0.361CS..Hα-helixtrans-56.6-44.8173.1-70.5163.1000110.3T8 S9 F15 K16 V26 A29T8-I12 HydrophobicContact CG2-CD1 3.98Å; T8-I12 HydrophobicContact CG2-CG1 4.41Å; T8-I12 WeakPolarHBondContact O-CD1 3.43Å; T8-I12 WeakPolarHBondContact O-CG1 3.46Å; T8-I12 PolarHBondContact O-N 2.96Å; S9-I12 PolarHBondContact O-N 3.23Å; I12-F15 PolarHBondContact O-N 3.31Å; I12-K16 HydrophobicContact CG2-CD 3.82Å; I12-K16 HydrophobicContact CG2-CG 4.45Å; I12-K16 VanDerWaalsContact O-CG 3.27Å; I12-K16 WeakPolarHBondContact O-CG 3.5Å; I12-K16 PolarHBondContact O-N 3.43Å; I12-V26 HydrophobicContact CD1-CB 4.47Å; I12-V26 HydrophobicContact CD1-CG2 3.9Å; I12-V26 HydrophobicContact CG1-CG2 4.15Å; I12-A29 HydrophobicContact CG1-CB 3.6Å
13Q96.2Very high90.5Very high81 Ų8157.1 Ų57.138%0.37936%0.36SS..Hα-helixtrans-66.7-42.1178.9-170.657.138.800111.8S9 E10 W11 F15 K16 D17S9-Q13 PolarHBondContact O-N 2.95Å; E10-Q13 PolarHBondContact O-N 3.47Å; W11-Q13 VanDerWaalsContact C-N 3.27Å; W11-Q13 PolarHBondContact O-N 3.28Å; Q13-F15 VanDerWaalsContact C-N 3.31Å; Q13-F15 PolarHBondContact O-N 3.42Å; Q13-K16 PolarHBondContact O-N 3.44Å; Q13-D17 PolarHBondContact NE2-OD1 3.16Å; Q13-D17 PolarHBondContact NE2-OD2 2.97Å; Q13-D17 WeakPolarHBondContact O-CB 3.21Å; Q13-D17 VanDerWaalsContact O-CG 3.27Å; Q13-D17 PolarHBondContact O-N 3.35Å
14F96.4Very high92.1Very high18 Ų1855.5 Ų55.58%0.07935%0.347CS..Hα-helixtrans-55.3-44.6173.3172.6-90.2000112.1E10 W11 D17 A18 L42 I64 H67 A68 V71E10-F14 PolarHBondContact O-N 2.82Å; W11-F14 HydrophobicContact CE3-CB 4.31Å; W11-F14 AromaticContact CE3-CD1 3.99Å; W11-F14 HydrophobicContact CE3-CD1 3.99Å; W11-F14 HydrophobicContact CE3-CG 4.17Å; W11-F14 HydrophobicContact CZ3-CD1 4.12Å; W11-F14 HydrophobicContact CZ3-CE1 4.35Å; W11-F14 HydrophobicContact CZ3-CG 4.28Å; W11-F14 WeakPolarHBondContact O-CB 3.48Å; W11-F14 PolarHBondContact O-N 2.89Å; F14-D17 PolarHBondContact O-N 2.72Å; F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.38Å; F14-L42 HydrophobicContact CE1-CD2 4.3Å; F14-L42 HydrophobicContact CE2-CD1 4.3Å; F14-L42 HydrophobicContact CE2-CD2 3.53Å; F14-L42 HydrophobicContact CZ-CD2 3.4Å; F14-L42 VanDerWaalsContact CZ-CD2 3.4Å; F14-I64 HydrophobicContact CE1-CG2 4.22Å; F14-H67 AromaticContact CD2-CD2 3.51Å; F14-H67 AromaticContact CD2-NE2 3.83Å; F14-H67 AromaticContact CE2-CD2 3.34Å; F14-H67 WeakPolarHBondContact CE2-CD2 3.45Å; F14-H67 AromaticContact CZ-CD2 3.76Å; F14-H67 PolarHBondContact O-CD2 3.4Å; F14-A68 HydrophobicContact CZ-CB 4.31Å; F14-V71 HydrophobicContact CD2-CG2 4.2Å; F14-V71 HydrophobicContact CE2-CB 4.49Å; F14-V71 HydrophobicContact CE2-CG2 3.92Å
15F97.2Very high93.4Very high0 Ų051.8 Ų51.80%032%0.324CS..Hα-helixtrans-70.3-37.6178.2-68.6-54.2000112.8W11 I12 Q13 D17 A18 G19 I20 A25 A29 F32 I64W11-F15 HydrophobicContact CB-CD2 4.49Å; W11-F15 HydrophobicContact CB-CE2 4.1Å; W11-F15 HydrophobicContact CE3-CZ 4.49Å; W11-F15 WeakPolarHBondContact O-CD2 3.43Å; W11-F15 WeakPolarHBondContact O-CG 3.33Å; W11-F15 PolarHBondContact O-N 2.94Å; I12-F15 PolarHBondContact O-N 3.31Å; Q13-F15 VanDerWaalsContact C-N 3.31Å; Q13-F15 PolarHBondContact O-N 3.42Å; F15-D17 VanDerWaalsContact C-N 3.32Å; F15-D17 PolarHBondContact O-N 3.48Å; F15-A18 WeakPolarHBondContact O-CB 3.44Å; F15-A18 PolarHBondContact O-N 2.9Å; F15-G19 PolarHBondContact O-N 3.04Å; F15-I20 HydrophobicContact CB-CB 4.07Å; F15-I20 HydrophobicContact CB-CG1 4.12Å; F15-I20 HydrophobicContact CD1-CG1 4.32Å; F15-I20 VanDerWaalsContact O-CB 3.26Å; F15-I20 WeakPolarHBondContact O-CB 3.37Å; F15-I20 WeakPolarHBondContact O-CG1 3.19Å; F15-I20 PolarHBondContact O-N 3.28Å; F15-A25 HydrophobicContact CB-CB 3.63Å; F15-A29 HydrophobicContact CD2-CB 4.14Å; F15-A29 HydrophobicContact CE2-CB 4.12Å; F15-F32 HydrophobicContact CE1-CE1 4.4Å; F15-F32 HydrophobicContact CE1-CE2 4.2Å; F15-F32 HydrophobicContact CE1-CZ 4.06Å; F15-F32 HydrophobicContact CE2-CD2 4.34Å; F15-F32 HydrophobicContact CE2-CG 4.3Å; F15-F32 AromaticContact CZ-CD1 3.9Å; F15-F32 HydrophobicContact CZ-CD1 3.9Å; F15-F32 AromaticContact CZ-CD2 3.66Å; F15-F32 HydrophobicContact CZ-CD2 3.66Å; F15-F32 AromaticContact CZ-CE1 3.85Å; F15-F32 HydrophobicContact CZ-CE1 3.85Å; F15-F32 AromaticContact CZ-CE2 3.61Å; F15-F32 HydrophobicContact CZ-CE2 3.61Å; F15-F32 AromaticContact CZ-CG 3.8Å; F15-F32 HydrophobicContact CZ-CG 3.8Å; F15-F32 AromaticContact CZ-CZ 3.7Å; F15-F32 HydrophobicContact CZ-CZ 3.7Å; F15-I64 HydrophobicContact CD1-CD1 3.87Å; F15-I64 HydrophobicContact CD1-CG1 3.75Å; F15-I64 HydrophobicContact CE1-CD1 3.62Å; F15-I64 HydrophobicContact CE1-CG1 3.72Å; F15-I64 HydrophobicContact CE1-CG2 4.14Å
16K96.9Very high94.3Very high94 Ų9450.5 Ų50.541%0.40932%0.316SS..Hα-helixtrans-61.7-42.4173.3-73165.964.1-158.70111.5I12 Q13 A18 G19 A25I12-K16 HydrophobicContact CG2-CD 3.82Å; I12-K16 HydrophobicContact CG2-CG 4.45Å; I12-K16 VanDerWaalsContact O-CG 3.27Å; I12-K16 WeakPolarHBondContact O-CG 3.5Å; I12-K16 PolarHBondContact O-N 3.43Å; Q13-K16 PolarHBondContact O-N 3.44Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; K16-G19 WeakPolarHBondContact O-CA 3.16Å; K16-G19 PolarHBondContact O-N 3.13Å; K16-A25 HydrophobicContact CG-CB 4.39Å
17D96.4Very high95Very high98 Ų9850.9 Ų50.952%0.52432%0.318SS..Hα-helixtrans-70.7-27.3178.2-66.9-16.5000112.2Q13 F14 F15 G19Q13-D17 PolarHBondContact NE2-OD1 3.16Å; Q13-D17 PolarHBondContact NE2-OD2 2.97Å; Q13-D17 WeakPolarHBondContact O-CB 3.21Å; Q13-D17 VanDerWaalsContact O-CG 3.27Å; Q13-D17 PolarHBondContact O-N 3.35Å; F14-D17 PolarHBondContact O-N 2.72Å; F15-D17 VanDerWaalsContact C-N 3.32Å; F15-D17 PolarHBondContact O-N 3.48Å; D17-G19 PolarHBondContact O-N 3.03Å
18A96.5Very high95.5Very high18 Ų1850.1 Ų50.115%0.14931%0.309CS..Hα-helixtrans-70.4-14.3168.300000113.2F14 F15 K16 I20 H67F14-A18 WeakPolarHBondContact O-CB 3.38Å; F14-A18 PolarHBondContact O-N 3.38Å; F15-A18 WeakPolarHBondContact O-CB 3.44Å; F15-A18 PolarHBondContact O-N 2.9Å; K16-A18 VanDerWaalsContact C-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; A18-I20 HydrophobicContact CB-CG1 4.34Å; A18-H67 HydrophobicContact CB-CB 3.57Å
19G96Very high95.7Very high60 Ų6049.1 Ų49.162%0.61930%0.302SS*.THydrogen-bonded Turntrans94.216.1-178.600000114.4F15 K16 D17F15-G19 PolarHBondContact O-N 3.04Å; K16-G19 WeakPolarHBondContact O-CA 3.16Å; K16-G19 PolarHBondContact O-N 3.13Å; D17-G19 PolarHBondContact O-N 3.03Å
20I97.1Very high95.8Very high6 Ų649 Ų493%0.03130%0.299CS..  trans-78.9134176.2-51.3-55.8000109.5F15 A18 A22 L24 A25 Y28 D60 A63 I64F15-I20 HydrophobicContact CB-CB 4.07Å; F15-I20 HydrophobicContact CB-CG1 4.12Å; F15-I20 HydrophobicContact CD1-CG1 4.32Å; F15-I20 VanDerWaalsContact O-CB 3.26Å; F15-I20 WeakPolarHBondContact O-CB 3.37Å; F15-I20 WeakPolarHBondContact O-CG1 3.19Å; F15-I20 PolarHBondContact O-N 3.28Å; A18-I20 HydrophobicContact CB-CG1 4.34Å; I20-A22 PolarHBondContact O-N 3.33Å; I20-L24 HydrophobicContact CG2-CB 3.9Å; I20-A25 HydrophobicContact CG2-CB 4.36Å; I20-Y28 HydrophobicContact CG2-CD2 3.92Å; I20-Y28 HydrophobicContact CG2-CE2 3.81Å; I20-D60 HydrophobicContact CD1-CB 3.65Å; I20-A63 HydrophobicContact CD1-CB 3.91Å; I20-I64 HydrophobicContact CD1-CD1 4.49Å; I20-I64 HydrophobicContact CD1-CG1 4.24Å; I20-I64 HydrophobicContact CG1-CG1 4.26Å
21P96.3Very high95.9Very high76 Ų7645.5 Ų45.549%0.49429%0.285SS..  trans-54.8138.9174.3-25.634.3000112.3G23 L24 A25P21-G23 PolarHBondContact O-N 3.25Å; P21-G23 VanDerWaalsContact O-N 3.08Å; P21-L24 HydrophobicContact CG-CD1 4.5Å; P21-L24 PolarHBondContact O-N 2.95Å; P21-A25 PolarHBondContact O-N 3.41Å
22A93.1Very high95.9Very high63 Ų6344.8 Ų44.852%0.52128%0.283SS..Hα-helixtrans-55.1-34.8-173.400000114.1I20 L24 A25 V26I20-A22 PolarHBondContact O-N 3.33Å; A22-L24 PolarHBondContact O-N 2.92Å; A22-A25 PolarHBondContact O-N 3.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.34Å; A22-V26 PolarHBondContact O-N 2.93Å
23G91.4Very high95.8Very high60 Ų6044.3 Ų44.362%0.61928%0.282SS*.Hα-helixtrans-64.5-37.3177.200000113.6P21P21-G23 PolarHBondContact O-N 3.25Å; P21-G23 VanDerWaalsContact O-N 3.08Å
24L95.4Very high95.8Very high73 Ų7345.8 Ų45.838%0.38229%0.292SS..Hα-helixtrans-82.3-34.5177.4-64.3176.9000111.8I20 P21 A22 V26 T27 Y28I20-L24 HydrophobicContact CG2-CB 3.9Å; P21-L24 HydrophobicContact CG-CD1 4.5Å; P21-L24 PolarHBondContact O-N 2.95Å; A22-L24 PolarHBondContact O-N 2.92Å; L24-V26 PolarHBondContact O-N 3.02Å; L24-T27 PolarHBondContact O-N 3.41Å; L24-T27 VanDerWaalsContact O-N 3.12Å; L24-Y28 HydrophobicContact CB-CD2 4.42Å; L24-Y28 HydrophobicContact CB-CE2 3.95Å; L24-Y28 PolarHBondContact O-N 3.48Å
25A96.8Very high95.7Very high0 Ų050.1 Ų50.10%031%0.312CS..Hα-helixtrans-55.7-37.4177.500000112.7F15 K16 I20 P21 A22 A29F15-A25 HydrophobicContact CB-CB 3.63Å; K16-A25 HydrophobicContact CG-CB 4.39Å; I20-A25 HydrophobicContact CG2-CB 4.36Å; P21-A25 PolarHBondContact O-N 3.41Å; A22-A25 PolarHBondContact O-N 3.25Å; A25-A29 WeakPolarHBondContact O-CB 3.47Å; A25-A29 PolarHBondContact O-N 2.99Å
26V95.9Very high95.6Very high68 Ų6859.9 Ų59.941%0.41235%0.349SS..Hα-helixtrans-64.7-49.5175.6177.60000111.2I12 A22 L24 Y28 A29 V30I12-V26 HydrophobicContact CD1-CB 4.47Å; I12-V26 HydrophobicContact CD1-CG2 3.9Å; I12-V26 HydrophobicContact CG1-CG2 4.15Å; A22-V26 WeakPolarHBondContact O-CG2 3.34Å; A22-V26 PolarHBondContact O-N 2.93Å; L24-V26 PolarHBondContact O-N 3.02Å; V26-Y28 PolarHBondContact O-N 3.45Å; V26-A29 PolarHBondContact O-N 3.32Å; V26-V30 WeakPolarHBondContact O-CG2 3.45Å; V26-V30 PolarHBondContact O-N 2.88Å
27T95.7Very high95.5Very high84 Ų8456.6 Ų56.652%0.51534%0.336SS..Hα-helixtrans-60.2-46.1179.2-52.20000111.4L24 A29 V30 S31L24-T27 PolarHBondContact O-N 3.41Å; L24-T27 VanDerWaalsContact O-N 3.12Å; T27-A29 PolarHBondContact O-N 2.92Å; T27-V30 PolarHBondContact O-N 3.05Å; T27-S31 PolarHBondContact O-N 3.03Å; T27-S31 VanDerWaalsContact O-N 3.15Å; T27-S31 PolarHBondContact O-OG 3.07Å
28Y96.8Very high95.4Very high17 Ų1757.1 Ų57.17%0.06734%0.335CS..Hα-helixtrans-67.3-35.8178.6-59.4-22.9000112.7I20 L24 V26 V30 S31 F32 I55 D60 I64I20-Y28 HydrophobicContact CG2-CD2 3.92Å; I20-Y28 HydrophobicContact CG2-CE2 3.81Å; L24-Y28 HydrophobicContact CB-CD2 4.42Å; L24-Y28 HydrophobicContact CB-CE2 3.95Å; L24-Y28 PolarHBondContact O-N 3.48Å; V26-Y28 PolarHBondContact O-N 3.45Å; Y28-V30 VanDerWaalsContact C-N 3.35Å; Y28-S31 WeakPolarHBondContact O-CB 3.26Å; Y28-S31 PolarHBondContact O-N 2.98Å; Y28-F32 WeakPolarHBondContact O-CD2 3.28Å; Y28-F32 PolarHBondContact O-N 3.1Å; Y28-I55 HydrophobicContact CD1-CD1 4.02Å; Y28-I55 HydrophobicContact CD1-CG1 3.71Å; Y28-I55 HydrophobicContact CD2-CD1 4.2Å; Y28-I55 HydrophobicContact CE1-CB 4.37Å; Y28-I55 HydrophobicContact CE1-CD1 4.49Å; Y28-I55 HydrophobicContact CE1-CG1 3.87Å; Y28-I55 HydrophobicContact CE1-CG2 4.2Å; Y28-I55 HydrophobicContact CE2-CG2 4.15Å; Y28-I55 HydrophobicContact CG-CD1 3.86Å; Y28-I55 HydrophobicContact CG-CG1 4.09Å; Y28-D60 HydrophobicContact CE2-CB 4.15Å; Y28-D60 WeakPolarHBondContact CE2-OD2 3.42Å; Y28-D60 PolarHBondContact OH-OD2 3.17Å; Y28-I64 HydrophobicContact CD2-CD1 4.43Å
29A96.6Very high95.1Very high0 Ų061.4 Ų61.40%035%0.351CS..Hα-helixtrans-63.4-40.1175.200000112.8T8 W11 I12 F15 A25 V26 T27 F32 V33T8-A29 HydrophobicContact CG2-CB 3.91Å; W11-A29 HydrophobicContact CB-CB 3.59Å; I12-A29 HydrophobicContact CG1-CB 3.6Å; F15-A29 HydrophobicContact CD2-CB 4.14Å; F15-A29 HydrophobicContact CE2-CB 4.12Å; A25-A29 WeakPolarHBondContact O-CB 3.47Å; A25-A29 PolarHBondContact O-N 2.99Å; V26-A29 PolarHBondContact O-N 3.32Å; T27-A29 PolarHBondContact O-N 2.92Å; A29-F32 PolarHBondContact O-N 2.91Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.15Å
30V95.3Very high94.9Very high61 Ų6164.2 Ų64.237%0.3735%0.351SS..Hα-helixtrans-61.4-47.9172.8174.90000109.8T8 V26 T27 Y28 F32 V33 D34T8-V30 HydrophobicContact CG2-CG2 4.05Å; V26-V30 WeakPolarHBondContact O-CG2 3.45Å; V26-V30 PolarHBondContact O-N 2.88Å; T27-V30 PolarHBondContact O-N 3.05Å; Y28-V30 VanDerWaalsContact C-N 3.35Å; V30-F32 VanDerWaalsContact C-N 3.32Å; V30-F32 PolarHBondContact O-N 2.67Å; V30-V33 PolarHBondContact O-N 3.13Å; V30-V33 VanDerWaalsContact O-N 3.13Å; V30-D34 WeakPolarHBondContact CG1-OD2 3.43Å; V30-D34 WeakPolarHBondContact O-CB 3.43Å; V30-D34 PolarHBondContact O-N 2.96Å
31S95.4Very high94.8Very high24 Ų2467.8 Ų67.817%0.16837%0.369CS..Hα-helixtrans-55.2-44175-61.20000112.6T27 Y28 V33 D34 H35 L53T27-S31 PolarHBondContact O-N 3.03Å; T27-S31 VanDerWaalsContact O-N 3.15Å; T27-S31 PolarHBondContact O-OG 3.07Å; Y28-S31 WeakPolarHBondContact O-CB 3.26Å; Y28-S31 PolarHBondContact O-N 2.98Å; S31-V33 PolarHBondContact O-N 3.17Å; S31-D34 PolarHBondContact O-N 3.25Å; S31-H35 WeakPolarHBondContact O-CB 3.38Å; S31-H35 PolarHBondContact O-N 3.07Å; S31-H35 PolarHBondContact O-ND1 3.49Å; S31-L53 PolarHBondContact OG-O 2.85Å
32F95.9Very high94.7Very high0 Ų064.4 Ų64.40%035%0.347CS..Hα-helixtrans-65.6-38.3179.5-90.8-128.3000112.8W11 F15 Y28 A29 V30 R36 I37 L45 M50 L53 I55 I64W11-F32 HydrophobicContact CD2-CB 4.14Å; W11-F32 HydrophobicContact CD2-CD1 4.03Å; W11-F32 AromaticContact CE3-CD1 3.62Å; W11-F32 HydrophobicContact CE3-CD1 3.62Å; W11-F32 HydrophobicContact CE3-CE1 4.25Å; W11-F32 HydrophobicContact CE3-CG 4.41Å; W11-F32 HydrophobicContact CG-CB 4.26Å; W11-F32 AromaticContact CH2-CD1 3.9Å; W11-F32 HydrophobicContact CH2-CD1 3.9Å; W11-F32 HydrophobicContact CH2-CE1 4.38Å; W11-F32 HydrophobicContact CZ2-CD1 4.28Å; W11-F32 AromaticContact CZ3-CD1 3.55Å; W11-F32 HydrophobicContact CZ3-CD1 3.55Å; W11-F32 AromaticContact CZ3-CE1 3.89Å; W11-F32 HydrophobicContact CZ3-CE1 3.89Å; F15-F32 HydrophobicContact CE1-CE1 4.4Å; F15-F32 HydrophobicContact CE1-CE2 4.2Å; F15-F32 HydrophobicContact CE1-CZ 4.06Å; F15-F32 HydrophobicContact CE2-CD2 4.34Å; F15-F32 HydrophobicContact CE2-CG 4.3Å; F15-F32 AromaticContact CZ-CD1 3.9Å; F15-F32 HydrophobicContact CZ-CD1 3.9Å; F15-F32 AromaticContact CZ-CD2 3.66Å; F15-F32 HydrophobicContact CZ-CD2 3.66Å; F15-F32 AromaticContact CZ-CE1 3.85Å; F15-F32 HydrophobicContact CZ-CE1 3.85Å; F15-F32 AromaticContact CZ-CE2 3.61Å; F15-F32 HydrophobicContact CZ-CE2 3.61Å; F15-F32 AromaticContact CZ-CG 3.8Å; F15-F32 HydrophobicContact CZ-CG 3.8Å; F15-F32 AromaticContact CZ-CZ 3.7Å; F15-F32 HydrophobicContact CZ-CZ 3.7Å; Y28-F32 WeakPolarHBondContact O-CD2 3.28Å; Y28-F32 PolarHBondContact O-N 3.1Å; A29-F32 PolarHBondContact O-N 2.91Å; V30-F32 VanDerWaalsContact C-N 3.32Å; V30-F32 PolarHBondContact O-N 2.67Å; F32-R36 PolarHBondContact O-N 3.43Å; F32-I37 HydrophobicContact CB-CB 4.24Å; F32-I37 HydrophobicContact CD1-CB 3.75Å; F32-I37 HydrophobicContact CD1-CG1 4.23Å; F32-I37 HydrophobicContact CD1-CG2 3.54Å; F32-I37 HydrophobicContact CE1-CB 4.4Å; F32-I37 HydrophobicContact CE1-CG2 3.78Å; F32-I37 HydrophobicContact CG-CB 4.13Å; F32-I37 HydrophobicContact CG-CG1 4.27Å; F32-I37 HydrophobicContact CG-CG2 4.38Å; F32-I37 PolarHBondContact O-N 2.87Å; F32-L45 HydrophobicContact CE1-CD1 4.14Å; F32-L45 HydrophobicContact CZ-CD1 4.42Å; F32-M50 HydrophobicContact CE2-SD 4.44Å; F32-M50 HydrophobicContact CZ-CE 3.91Å; F32-M50 HydrophobicContact CZ-SD 4.15Å; F32-L53 HydrophobicContact CD2-CD1 3.93Å; F32-L53 HydrophobicContact CE2-CD1 3.48Å; F32-L53 VanDerWaalsContact CE2-CD1 3.48Å; F32-L53 HydrophobicContact CZ-CD1 4.06Å; F32-I55 HydrophobicContact CE2-CD1 3.88Å; F32-I64 HydrophobicContact CZ-CG2 4.38Å
33V95.7Very high94.8Very high30 Ų3065.9 Ų65.918%0.18234%0.344CS..Hα-helixtrans-69.6-44176.8173.40000111.1V4 A7 A29 V30 S31 H35 R36V4-V33 HydrophobicContact CG1-CG1 4.28Å; A7-V33 HydrophobicContact CB-CG2 4.28Å; A29-V33 WeakPolarHBondContact O-CG2 3.26Å; A29-V33 PolarHBondContact O-N 3.15Å; V30-V33 PolarHBondContact O-N 3.13Å; V30-V33 VanDerWaalsContact O-N 3.13Å; S31-V33 PolarHBondContact O-N 3.17Å; V33-H35 VanDerWaalsContact C-N 3.28Å; V33-H35 PolarHBondContact O-N 3.43Å; V33-R36 WeakPolarHBondContact O-CA 3.5Å; V33-R36 PolarHBondContact O-N 3.25Å
34D95Very high95Very high112 Ų11268.4 Ų68.460%0.59934%0.343SS*.Hα-helixtrans-62.1-38.4-179.7-69.9-13.7000111.5V30 S31 R36V30-D34 WeakPolarHBondContact CG1-OD2 3.43Å; V30-D34 WeakPolarHBondContact O-CB 3.43Å; V30-D34 PolarHBondContact O-N 2.96Å; S31-D34 PolarHBondContact O-N 3.25Å; D34-R36 VanDerWaalsContact C-N 3.26Å; D34-R36 PolarHBondContact O-N 3.31Å
35H95.3Very high95Very high108 Ų10865.8 Ų65.850%0.533%0.329SS..THydrogen-bonded Turntrans-877.7176.4-62.483.7000113.2S31 V33 I37 L53S31-H35 WeakPolarHBondContact O-CB 3.38Å; S31-H35 PolarHBondContact O-N 3.07Å; S31-H35 PolarHBondContact O-ND1 3.49Å; V33-H35 VanDerWaalsContact C-N 3.28Å; V33-H35 PolarHBondContact O-N 3.43Å; H35-I37 HydrophobicContact CB-CD1 4.36Å; H35-I37 HydrophobicContact CB-CG1 4.14Å; H35-I37 PolarHBondContact O-N 3.47Å; H35-I37 VanDerWaalsContact O-N 3.15Å; H35-L53 HydrophobicContact CB-CD2 3.61Å; H35-L53 WeakPolarHBondContact ND1-CD2 3.45Å
36R95.2Very high95Very high206 Ų20667.9 Ų67.978%0.77734%0.344SS*.THydrogen-bonded Turntrans51.235.1179-61.9-164.3-102-166.2-6.3114F32 V33 D34 Q38F32-R36 PolarHBondContact O-N 3.43Å; V33-R36 WeakPolarHBondContact O-CA 3.5Å; V33-R36 PolarHBondContact O-N 3.25Å; D34-R36 VanDerWaalsContact C-N 3.26Å; D34-R36 PolarHBondContact O-N 3.31Å; R36-Q38 PolarHBondContact O-N 3.15Å
37I94.9Very high95.1Very high25 Ų2569.9 Ų69.913%0.12835%0.347CS..  trans-65.2134.7172.8-54.8-59000108.4W11 F32 H35 L45W11-I37 HydrophobicContact CH2-CG2 4.15Å; W11-I37 HydrophobicContact CZ2-CG2 4.37Å; W11-I37 WeakPolarHBondContact CZ2-O 3.49Å; F32-I37 HydrophobicContact CB-CB 4.24Å; F32-I37 HydrophobicContact CD1-CB 3.75Å; F32-I37 HydrophobicContact CD1-CG1 4.23Å; F32-I37 HydrophobicContact CD1-CG2 3.54Å; F32-I37 HydrophobicContact CE1-CB 4.4Å; F32-I37 HydrophobicContact CE1-CG2 3.78Å; F32-I37 HydrophobicContact CG-CB 4.13Å; F32-I37 HydrophobicContact CG-CG1 4.27Å; F32-I37 HydrophobicContact CG-CG2 4.38Å; F32-I37 PolarHBondContact O-N 2.87Å; H35-I37 HydrophobicContact CB-CD1 4.36Å; H35-I37 HydrophobicContact CB-CG1 4.14Å; H35-I37 PolarHBondContact O-N 3.47Å; H35-I37 VanDerWaalsContact O-N 3.15Å; I37-L45 HydrophobicContact CG2-CD2 4.16Å
38Q93.6Very high95.1Very high108 Ų10870.5 Ų70.551%0.50535%0.348SS..  trans-119.8161-177.2-68.6-179.79.400110.8R36 N40 M41R36-Q38 PolarHBondContact O-N 3.15Å; Q38-N40 VanDerWaalsContact C-N 3.29Å; Q38-N40 WeakPolarHBondContact CB-OD1 3.45Å; Q38-N40 PolarHBondContact O-N 3.19Å; Q38-N40 PolarHBondContact OE1-OD1 3.22Å; Q38-M41 WeakPolarHBondContact O-CB 3.16Å; Q38-M41 PolarHBondContact O-N 2.93Å; Q38-M41 VanDerWaalsContact O-N 3.1Å
39K90.7Very high95.1Very high109 Ų10972.7 Ų72.747%0.47436%0.36SS..G310 helixtrans-64.3-30.9-179.4-68.2-178.3-173.8163.40113E10 W11 M41 L42E10-K39 WeakPolarHBondContact OE2-CE 3.48Å; E10-K39 IonicContact OE2-NZ 2.73Å; E10-K39 PolarHBondContact OE2-NZ 3.21Å; W11-K39 HydrophobicContact CH2-CG 4.33Å; W11-K39 HydrophobicContact CZ2-CG 4.49Å; K39-M41 PolarHBondContact O-N 2.96Å; K39-L42 HydrophobicContact CB-CD1 4.03Å; K39-L42 HydrophobicContact CG-CD1 4.39Å; K39-L42 WeakPolarHBondContact O-CB 2.94Å; K39-L42 WeakPolarHBondContact O-CD1 3.27Å; K39-L42 WeakPolarHBondContact O-CG 3.42Å; K39-L42 PolarHBondContact O-N 3.35Å
40N91.7Very high95.1Very high118 Ų11872.7 Ų72.763%0.63136%0.36SS*.G310 helixtrans-65-26.9173.960.3-17.5000113.2Q38 L42Q38-N40 VanDerWaalsContact C-N 3.29Å; Q38-N40 WeakPolarHBondContact CB-OD1 3.45Å; Q38-N40 PolarHBondContact O-N 3.19Å; Q38-N40 PolarHBondContact OE1-OD1 3.22Å; N40-L42 VanDerWaalsContact C-N 3.29Å; N40-L42 PolarHBondContact O-N 3.49Å
41M94.7Very high95.2Very high81 Ų8173.9 Ų73.940%0.39936%0.362SS..G310 helixtrans-84.40.6-179.9-65.5176.6146.500113.4Q38 K39 M43 D44 L45Q38-M41 WeakPolarHBondContact O-CB 3.16Å; Q38-M41 PolarHBondContact O-N 2.93Å; Q38-M41 VanDerWaalsContact O-N 3.1Å; K39-M41 PolarHBondContact O-N 2.96Å; M41-M43 PolarHBondContact O-N 3.36Å; M41-D44 PolarHBondContact O-N 3.37Å; M41-L45 PolarHBondContact O-N 2.89Å
42L94.1Very high95.2Very high6 Ų679.1 Ų79.13%0.03139%0.389CS..G310 helixtrans-54.9-31-176.8-80.7163.7000113.1W11 F14 K39 N40 L45 A68 V71W11-L42 HydrophobicContact CH2-CD2 4.5Å; W11-L42 HydrophobicContact CZ3-CD2 4.3Å; F14-L42 HydrophobicContact CE1-CD2 4.3Å; F14-L42 HydrophobicContact CE2-CD1 4.3Å; F14-L42 HydrophobicContact CE2-CD2 3.53Å; F14-L42 HydrophobicContact CZ-CD2 3.4Å; F14-L42 VanDerWaalsContact CZ-CD2 3.4Å; K39-L42 HydrophobicContact CB-CD1 4.03Å; K39-L42 HydrophobicContact CG-CD1 4.39Å; K39-L42 WeakPolarHBondContact O-CB 2.94Å; K39-L42 WeakPolarHBondContact O-CD1 3.27Å; K39-L42 WeakPolarHBondContact O-CG 3.42Å; K39-L42 PolarHBondContact O-N 3.35Å; N40-L42 VanDerWaalsContact C-N 3.29Å; N40-L42 PolarHBondContact O-N 3.49Å; L42-L45 HydrophobicContact CD2-CD1 3.93Å; L42-A68 HydrophobicContact CB-CB 4.05Å; L42-A68 HydrophobicContact CD2-CB 3.7Å; L42-A68 HydrophobicContact CG-CB 4.48Å; L42-A68 WeakPolarHBondContact O-CB 3.47Å; L42-V71 HydrophobicContact CD1-CB 4.41Å; L42-V71 HydrophobicContact CD1-CG1 3.95Å
43M94.9Very high95.1Very high93 Ų9379.7 Ų79.746%0.45839%0.392SS..G310 helixtrans-80.6-19.7179.6-69.7-61-64.600113.9M41 L45 K69 H72M41-M43 PolarHBondContact O-N 3.36Å; M43-L45 VanDerWaalsContact C-N 3.34Å; M43-K69 HydrophobicContact SD-CG 4.22Å; M43-H72 HydrophobicContact CG-CB 4.02Å; M43-H72 HydrophobicContact SD-CB 3.77Å
44D95.3Very high95.1Very high113 Ų11380.5 Ų80.560%0.60441%0.406SS*.THydrogen-bonded Turntrans-86.8-12.7179.8-55.8-41000112M41 S46 I49M41-D44 PolarHBondContact O-N 3.37Å; D44-S46 PolarHBondContact O-N 3.41Å; D44-I49 WeakPolarHBondContact O-CD1 3.45Å
45L96.1Very high95.2Very high18 Ų1875.2 Ų75.29%0.09438%0.377CS..  trans-60.8118.8177.2-64.5174.7000110.3F32 I37 M41 L42 M43 I49 M50 L65 A68F32-L45 HydrophobicContact CE1-CD1 4.14Å; F32-L45 HydrophobicContact CZ-CD1 4.42Å; I37-L45 HydrophobicContact CG2-CD2 4.16Å; M41-L45 PolarHBondContact O-N 2.89Å; L42-L45 HydrophobicContact CD2-CD1 3.93Å; M43-L45 VanDerWaalsContact C-N 3.34Å; L45-I49 HydrophobicContact CD2-CG2 4.16Å; L45-M50 HydrophobicContact CB-CE 3.58Å; L45-M50 HydrophobicContact CD1-CE 3.68Å; L45-M50 HydrophobicContact CD2-CE 3.83Å; L45-M50 HydrophobicContact CG-CE 3.86Å; L45-L65 HydrophobicContact CB-CD2 3.84Å; L45-L65 WeakPolarHBondContact O-CD2 3.12Å; L45-A68 HydrophobicContact CD1-CB 4.45Å
46S96.9Very high95.2Very high45 Ų4574.8 Ų74.832%0.31538%0.383SS..  trans-114.8169.7176.275.80000110.5D44 D48 I49 M50D44-S46 PolarHBondContact O-N 3.41Å; S46-D48 PolarHBondContact O-N 2.81Å; S46-D48 PolarHBondContact OG-N 3.34Å; S46-I49 PolarHBondContact O-N 2.89Å; S46-I49 PolarHBondContact OG-N 3.26Å; S46-M50 WeakPolarHBondContact O-CG 3.47Å; S46-M50 PolarHBondContact O-N 3.41Å; S46-M50 VanDerWaalsContact O-N 3.09Å
47K97Very high95.3Very high109 Ų10968.2 Ų68.247%0.47437%0.365SS..Hα-helixtrans-56.3-38.6175.4175.9-175.5163.2-65.30111.6M50 M51 I61K47-M50 WeakPolarHBondContact O-CB 3.44Å; K47-M50 PolarHBondContact O-N 2.94Å; K47-M51 PolarHBondContact NZ-SD 3.43Å; K47-M51 WeakPolarHBondContact O-CG 3.32Å; K47-M51 PolarHBondContact O-N 3.4Å; K47-I61 HydrophobicContact CG-CG2 4.35Å
48D96.7Very high95.4Very high98 Ų9872.8 Ų72.852%0.52439%0.389SS..Hα-helixtrans-72.6-41.3-174.3-55.8-37.5000110.6S46 M50 M51 D52S46-D48 PolarHBondContact O-N 2.81Å; S46-D48 PolarHBondContact OG-N 3.34Å; D48-M50 VanDerWaalsContact C-N 3.28Å; D48-M50 PolarHBondContact O-N 2.99Å; D48-M51 WeakPolarHBondContact O-CA 3.35Å; D48-M51 WeakPolarHBondContact O-CB 3.36Å; D48-M51 PolarHBondContact O-N 3.48Å; D48-D52 PolarHBondContact O-N 3.4Å
49I96.3Very high95.6Very high62 Ų6269.8 Ų69.832%0.31839%0.387SS..Hα-helixtrans-59.7-40.9172.3-61.9168.5000110.6D44 L45 S46 M51 D52 L53D44-I49 WeakPolarHBondContact O-CD1 3.45Å; L45-I49 HydrophobicContact CD2-CG2 4.16Å; S46-I49 PolarHBondContact O-N 2.89Å; S46-I49 PolarHBondContact OG-N 3.26Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.21Å; I49-D52 PolarHBondContact O-N 3.09Å; I49-L53 HydrophobicContact CG2-CD1 4.04Å; I49-L53 HydrophobicContact CG2-CG 4.47Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.34Å
50M96.4Very high96Very high0 Ų065.5 Ų65.50%037%0.369CS..Hα-helixtrans-61.4-39.6175.2-66.7-69.8153.400112.3F32 L45 S46 K47 D48 L53 I55 I61 I64 L65F32-M50 HydrophobicContact CE2-SD 4.44Å; F32-M50 HydrophobicContact CZ-CE 3.91Å; F32-M50 HydrophobicContact CZ-SD 4.15Å; L45-M50 HydrophobicContact CB-CE 3.58Å; L45-M50 HydrophobicContact CD1-CE 3.68Å; L45-M50 HydrophobicContact CD2-CE 3.83Å; L45-M50 HydrophobicContact CG-CE 3.86Å; S46-M50 WeakPolarHBondContact O-CG 3.47Å; S46-M50 PolarHBondContact O-N 3.41Å; S46-M50 VanDerWaalsContact O-N 3.09Å; K47-M50 WeakPolarHBondContact O-CB 3.44Å; K47-M50 PolarHBondContact O-N 2.94Å; D48-M50 VanDerWaalsContact C-N 3.28Å; D48-M50 PolarHBondContact O-N 2.99Å; M50-L53 PolarHBondContact O-N 3.34Å; M50-I55 HydrophobicContact CB-CB 4.46Å; M50-I55 WeakPolarHBondContact O-CA 3.38Å; M50-I55 VanDerWaalsContact O-CB 3.28Å; M50-I55 WeakPolarHBondContact O-CB 3.35Å; M50-I55 PolarHBondContact O-N 2.9Å; M50-I55 HydrophobicContact SD-CD1 4.07Å; M50-I61 HydrophobicContact CB-CG1 4.04Å; M50-I61 HydrophobicContact CB-CG2 4.08Å; M50-I61 HydrophobicContact CG-CG2 4.12Å; M50-I64 HydrophobicContact CE-CG2 3.52Å; M50-I64 HydrophobicContact SD-CB 4.38Å; M50-I64 HydrophobicContact SD-CD1 4.38Å; M50-I64 HydrophobicContact SD-CG2 3.75Å; M50-L65 HydrophobicContact CE-CD2 3.91Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; M50-L65 HydrophobicContact CG-CG 4.47Å
51M96.6Very high96.3Very high87 Ų8760.3 Ų60.343%0.42934%0.341SS..Hα-helixtrans-68.5-40.2177.1-72.3-169.863.900112.2K47 D48 I49 L53 G54 I61K47-M51 PolarHBondContact NZ-SD 3.43Å; K47-M51 WeakPolarHBondContact O-CG 3.32Å; K47-M51 PolarHBondContact O-N 3.4Å; D48-M51 WeakPolarHBondContact O-CA 3.35Å; D48-M51 WeakPolarHBondContact O-CB 3.36Å; D48-M51 PolarHBondContact O-N 3.48Å; I49-M51 VanDerWaalsContact C-N 3.3Å; I49-M51 PolarHBondContact O-N 3.21Å; M51-L53 VanDerWaalsContact C-N 3.26Å; M51-L53 PolarHBondContact O-N 3.29Å; M51-G54 WeakPolarHBondContact O-CA 3.19Å; M51-G54 PolarHBondContact O-N 2.97Å; M51-I61 HydrophobicContact CG-CD1 4.31Å
52D96Very high96.4Very high134 Ų13461.5 Ų61.572%0.71735%0.348SS*.Hα-helixtrans-64.6-32.5176.9-68.4-17.5000111.9D48 I49 G54D48-D52 PolarHBondContact O-N 3.4Å; I49-D52 PolarHBondContact O-N 3.09Å; D52-G54 PolarHBondContact O-N 3.38Å
53L94.9Very high96.6Very high12 Ų1262.2 Ų62.26%0.06336%0.355CS..THydrogen-bonded Turntrans-71.7-4172-67.1169.2000113.5S31 F32 H35 I49 M50 M51 I55S31-L53 PolarHBondContact OG-O 2.85Å; F32-L53 HydrophobicContact CD2-CD1 3.93Å; F32-L53 HydrophobicContact CE2-CD1 3.48Å; F32-L53 VanDerWaalsContact CE2-CD1 3.48Å; F32-L53 HydrophobicContact CZ-CD1 4.06Å; H35-L53 HydrophobicContact CB-CD2 3.61Å; H35-L53 WeakPolarHBondContact ND1-CD2 3.45Å; I49-L53 HydrophobicContact CG2-CD1 4.04Å; I49-L53 HydrophobicContact CG2-CG 4.47Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.34Å; M50-L53 PolarHBondContact O-N 3.34Å; M51-L53 VanDerWaalsContact C-N 3.26Å; M51-L53 PolarHBondContact O-N 3.29Å; L53-I55 HydrophobicContact CB-CG1 4.4Å
54G94.7Very high96.7Very high47 Ų4757.8 Ų57.849%0.48533%0.333SS..THydrogen-bonded Turntrans86.79.5-178.600000114.5M51 D52 T56M51-G54 WeakPolarHBondContact O-CA 3.19Å; M51-G54 PolarHBondContact O-N 2.97Å; D52-G54 PolarHBondContact O-N 3.38Å; G54-T56 PolarHBondContact O-N 3.19Å
55I96.4Very high96.8Very high0 Ų054.2 Ų54.20%031%0.314CS..  trans-8896.4177.6-48.7-176.5000108.3Y28 F32 M50 L53 D60 I61 I64Y28-I55 HydrophobicContact CD1-CD1 4.02Å; Y28-I55 HydrophobicContact CD1-CG1 3.71Å; Y28-I55 HydrophobicContact CD2-CD1 4.2Å; Y28-I55 HydrophobicContact CE1-CB 4.37Å; Y28-I55 HydrophobicContact CE1-CD1 4.49Å; Y28-I55 HydrophobicContact CE1-CG1 3.87Å; Y28-I55 HydrophobicContact CE1-CG2 4.2Å; Y28-I55 HydrophobicContact CE2-CG2 4.15Å; Y28-I55 HydrophobicContact CG-CD1 3.86Å; Y28-I55 HydrophobicContact CG-CG1 4.09Å; F32-I55 HydrophobicContact CE2-CD1 3.88Å; M50-I55 HydrophobicContact CB-CB 4.46Å; M50-I55 WeakPolarHBondContact O-CA 3.38Å; M50-I55 VanDerWaalsContact O-CB 3.28Å; M50-I55 WeakPolarHBondContact O-CB 3.35Å; M50-I55 PolarHBondContact O-N 2.9Å; M50-I55 HydrophobicContact SD-CD1 4.07Å; L53-I55 HydrophobicContact CB-CG1 4.4Å; I55-D60 HydrophobicContact CG2-CB 4.06Å; I55-I61 HydrophobicContact CG2-CG1 3.99Å; I55-I61 VanDerWaalsContact O-CD1 3.26Å; I55-I61 WeakPolarHBondContact O-CD1 3.49Å; I55-I61 WeakPolarHBondContact O-CG1 3.18Å; I55-I64 HydrophobicContact CD1-CD1 3.72Å; I55-I64 HydrophobicContact CG2-CD1 4.24Å
56T96.6Very high96.9Very high99 Ų9960.7 Ų60.761%0.60734%0.341SS*.  trans-100.2-17.3-174.6560000113.6G54 I58G54-T56 PolarHBondContact O-N 3.19Å; T56-I58 PolarHBondContact O-N 3.41Å
57V97.2Very high96.9Very high68 Ų6860.2 Ų60.241%0.41233%0.334SS..  trans-71.6110.8179.7-179.20000109.1G59 D60 I61V57-G59 PolarHBondContact O-N 3.46Å; V57-D60 HydrophobicContact CB-CB 4.05Å; V57-D60 HydrophobicContact CG1-CB 4.27Å; V57-D60 WeakPolarHBondContact O-CB 3.32Å; V57-D60 PolarHBondContact O-N 2.98Å; V57-I61 WeakPolarHBondContact O-CG1 2.98Å; V57-I61 PolarHBondContact O-N 3.39Å
58I97.1Very high96.9Very high121 Ų12155 Ų5562%0.62131%0.312SS*.Hα-helixtrans-56-38.4-175.9-60.4171.7000112T56 D60 I61 I62T56-I58 PolarHBondContact O-N 3.41Å; I58-D60 VanDerWaalsContact C-N 3.35Å; I58-D60 PolarHBondContact O-N 3.39Å; I58-I61 PolarHBondContact O-N 3.1Å; I58-I62 HydrophobicContact CG2-CD1 3.81Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.45Å
59G97.9Very high96.8Very high45 Ų4556.6 Ų56.646%0.46431%0.314SS..Hα-helixtrans-60-44.1176.200000112.5V57 I62 A63V57-G59 PolarHBondContact O-N 3.46Å; G59-I62 PolarHBondContact O-N 3.07Å; G59-A63 VanDerWaalsContact O-CB 3.32Å; G59-A63 WeakPolarHBondContact O-CB 3.39Å; G59-A63 PolarHBondContact O-N 3.46Å
60D97.8Very high96.7Very high20 Ų2058.2 Ų58.211%0.10732%0.32CS..Hα-helixtrans-68.3-43.2179.1-64.4-4.6000110.8I20 Y28 I55 V57 I58 I62 A63 I64I20-D60 HydrophobicContact CD1-CB 3.65Å; Y28-D60 HydrophobicContact CE2-CB 4.15Å; Y28-D60 WeakPolarHBondContact CE2-OD2 3.42Å; Y28-D60 PolarHBondContact OH-OD2 3.17Å; I55-D60 HydrophobicContact CG2-CB 4.06Å; V57-D60 HydrophobicContact CB-CB 4.05Å; V57-D60 HydrophobicContact CG1-CB 4.27Å; V57-D60 WeakPolarHBondContact O-CB 3.32Å; V57-D60 PolarHBondContact O-N 2.98Å; I58-D60 VanDerWaalsContact C-N 3.35Å; I58-D60 PolarHBondContact O-N 3.39Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 2.73Å; D60-A63 PolarHBondContact O-N 3.36Å; D60-I64 WeakPolarHBondContact O-CB 3.34Å; D60-I64 WeakPolarHBondContact O-CD1 3.32Å; D60-I64 WeakPolarHBondContact O-CG1 3.43Å; D60-I64 PolarHBondContact O-N 2.83Å
61I97.8Very high96.5Very high9 Ų959 Ų595%0.04633%0.325CS..Hα-helixtrans-55-49.1174.5-62.2171.5000110K47 M50 M51 I55 V57 I58 L65K47-I61 HydrophobicContact CG-CG2 4.35Å; M50-I61 HydrophobicContact CB-CG1 4.04Å; M50-I61 HydrophobicContact CB-CG2 4.08Å; M50-I61 HydrophobicContact CG-CG2 4.12Å; M51-I61 HydrophobicContact CG-CD1 4.31Å; I55-I61 HydrophobicContact CG2-CG1 3.99Å; I55-I61 VanDerWaalsContact O-CD1 3.26Å; I55-I61 WeakPolarHBondContact O-CD1 3.49Å; I55-I61 WeakPolarHBondContact O-CG1 3.18Å; V57-I61 WeakPolarHBondContact O-CG1 2.98Å; V57-I61 PolarHBondContact O-N 3.39Å; I58-I61 PolarHBondContact O-N 3.1Å; I61-L65 HydrophobicContact CG2-CD1 3.77Å; I61-L65 HydrophobicContact CG2-CG 4.38Å; I61-L65 WeakPolarHBondContact O-CB 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 2.95Å
62I97.7Very high96.2Very high105 Ų10558.7 Ų58.754%0.53832%0.322SS..Hα-helixtrans-64.6-44179.3-66.8166.3000110.9I58 G59 D60 K66I58-I62 HydrophobicContact CG2-CD1 3.81Å; I58-I62 HydrophobicContact CG2-CG1 4.4Å; I58-I62 VanDerWaalsContact O-CG1 3.27Å; I58-I62 WeakPolarHBondContact O-CG1 3.44Å; I58-I62 PolarHBondContact O-N 3.45Å; G59-I62 PolarHBondContact O-N 3.07Å; D60-I62 VanDerWaalsContact C-N 3.31Å; D60-I62 PolarHBondContact O-N 2.73Å; I62-K66 WeakPolarHBondContact O-CB 3.15Å; I62-K66 PolarHBondContact O-N 3.36Å
63A98Very high96Very high21 Ų2159.9 Ų59.917%0.17432%0.316CS..Hα-helixtrans-59.9-47.6179.800000111.5I20 G59 D60 K66 H67I20-A63 HydrophobicContact CD1-CB 3.91Å; G59-A63 VanDerWaalsContact O-CB 3.32Å; G59-A63 WeakPolarHBondContact O-CB 3.39Å; G59-A63 PolarHBondContact O-N 3.46Å; D60-A63 PolarHBondContact O-N 3.36Å; A63-K66 PolarHBondContact O-N 2.87Å; A63-H67 VanDerWaalsContact O-CB 3.32Å; A63-H67 WeakPolarHBondContact O-CB 3.11Å; A63-H67 PolarHBondContact O-N 3.36Å
64I97.5Very high95.7Very high0 Ų063.5 Ų63.50%033%0.333CS..Hα-helixtrans-63.3-51.6178.6-68.1165.5000110.8F14 F15 I20 Y28 F32 M50 I55 D60 K66 H67 A68F14-I64 HydrophobicContact CE1-CG2 4.22Å; F15-I64 HydrophobicContact CD1-CD1 3.87Å; F15-I64 HydrophobicContact CD1-CG1 3.75Å; F15-I64 HydrophobicContact CE1-CD1 3.62Å; F15-I64 HydrophobicContact CE1-CG1 3.72Å; F15-I64 HydrophobicContact CE1-CG2 4.14Å; I20-I64 HydrophobicContact CD1-CD1 4.49Å; I20-I64 HydrophobicContact CD1-CG1 4.24Å; I20-I64 HydrophobicContact CG1-CG1 4.26Å; Y28-I64 HydrophobicContact CD2-CD1 4.43Å; F32-I64 HydrophobicContact CZ-CG2 4.38Å; M50-I64 HydrophobicContact CE-CG2 3.52Å; M50-I64 HydrophobicContact SD-CB 4.38Å; M50-I64 HydrophobicContact SD-CD1 4.38Å; M50-I64 HydrophobicContact SD-CG2 3.75Å; I55-I64 HydrophobicContact CD1-CD1 3.72Å; I55-I64 HydrophobicContact CG2-CD1 4.24Å; D60-I64 WeakPolarHBondContact O-CB 3.34Å; D60-I64 WeakPolarHBondContact O-CD1 3.32Å; D60-I64 WeakPolarHBondContact O-CG1 3.43Å; D60-I64 PolarHBondContact O-N 2.83Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.44Å; I64-H67 PolarHBondContact O-N 3Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 3.36Å
65L97.1Very high95.4Very high39 Ų3963.6 Ų63.620%0.20432%0.322CS..Hα-helixtrans-63.1-36.8-179.7-68.5177.2000112.1L45 M50 I61 K69L45-L65 HydrophobicContact CB-CD2 3.84Å; L45-L65 WeakPolarHBondContact O-CD2 3.12Å; M50-L65 HydrophobicContact CE-CD2 3.91Å; M50-L65 HydrophobicContact CG-CD2 4.33Å; M50-L65 HydrophobicContact CG-CG 4.47Å; I61-L65 HydrophobicContact CG2-CD1 3.77Å; I61-L65 HydrophobicContact CG2-CG 4.38Å; I61-L65 WeakPolarHBondContact O-CB 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.44Å; I61-L65 PolarHBondContact O-N 2.95Å; L65-K69 PolarHBondContact O-N 3.18Å
66K97.6Very high94.7Very high154 Ų15468.3 Ų68.367%0.6735%0.345SS*.Hα-helixtrans-67.1-43.7175.3-169-177.579.8179.80111I62 A63 I64 K69 Q70I62-K66 WeakPolarHBondContact O-CB 3.15Å; I62-K66 PolarHBondContact O-N 3.36Å; A63-K66 PolarHBondContact O-N 2.87Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.44Å; K66-K69 PolarHBondContact O-N 3.01Å; K66-Q70 PolarHBondContact O-N 3.29Å; K66-Q70 VanDerWaalsContact O-N 3.14Å
67H97.2Very high94Very high34 Ų3467.4 Ų67.416%0.15734%0.342CS..Hα-helixtrans-68.4-38.4179.9-168.462.6000111.8F14 A18 A63 I64 K69 Q70 V71F14-H67 AromaticContact CD2-CD2 3.51Å; F14-H67 AromaticContact CD2-NE2 3.83Å; F14-H67 AromaticContact CE2-CD2 3.34Å; F14-H67 WeakPolarHBondContact CE2-CD2 3.45Å; F14-H67 AromaticContact CZ-CD2 3.76Å; F14-H67 PolarHBondContact O-CD2 3.4Å; A18-H67 HydrophobicContact CB-CB 3.57Å; A63-H67 VanDerWaalsContact O-CB 3.32Å; A63-H67 WeakPolarHBondContact O-CB 3.11Å; A63-H67 PolarHBondContact O-N 3.36Å; I64-H67 PolarHBondContact O-N 3Å; H67-K69 VanDerWaalsContact C-N 3.34Å; H67-K69 PolarHBondContact O-N 3.18Å; H67-Q70 CarbonylContact O-C 3.54Å; H67-Q70 WeakPolarHBondContact O-CA 3.33Å; H67-Q70 WeakPolarHBondContact O-CB 3.19Å; H67-Q70 PolarHBondContact O-N 2.9Å; H67-V71 WeakPolarHBondContact NE2-CG2 3.42Å; H67-V71 WeakPolarHBondContact O-CG2 3.41Å; H67-V71 PolarHBondContact O-N 3.49Å
68A96.4Very high93.3Very high1 Ų168.2 Ų68.21%0.00834%0.34CS..Hα-helixtrans-55.6-4717500000112.4F14 L42 L45 I64 Q70 V71 H72F14-A68 HydrophobicContact CZ-CB 4.31Å; L42-A68 HydrophobicContact CB-CB 4.05Å; L42-A68 HydrophobicContact CD2-CB 3.7Å; L42-A68 HydrophobicContact CG-CB 4.48Å; L42-A68 WeakPolarHBondContact O-CB 3.47Å; L45-A68 HydrophobicContact CD1-CB 4.45Å; I64-A68 WeakPolarHBondContact O-CB 3.35Å; I64-A68 PolarHBondContact O-N 3.36Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; A68-Q70 PolarHBondContact O-N 3.32Å; A68-V71 PolarHBondContact O-N 3.23Å; A68-H72 PolarHBondContact O-N 3.32Å
69K94.9Very high92.4Very high131 Ų13168 Ų6857%0.5734%0.338SS*.Hα-helixtrans-62.9-36.2173.7-69.3179.1-179.3-178.90112.7M43 L65 K66 H67 R73M43-K69 HydrophobicContact SD-CG 4.22Å; L65-K69 PolarHBondContact O-N 3.18Å; K66-K69 PolarHBondContact O-N 3.01Å; H67-K69 VanDerWaalsContact C-N 3.34Å; H67-K69 PolarHBondContact O-N 3.18Å; K69-R73 WeakPolarHBondContact O-CB 3.41Å; K69-R73 PolarHBondContact O-N 3.02Å; K69-R73 VanDerWaalsContact O-N 3.15Å
70Q94Very high91.4Very high96 Ų9668.6 Ų68.645%0.44934%0.338SS..Hα-helixtrans-68.9-44.8178.3178.462.512.600111.6K66 H67 A68 R73 Q74K66-Q70 PolarHBondContact O-N 3.29Å; K66-Q70 VanDerWaalsContact O-N 3.14Å; H67-Q70 CarbonylContact O-C 3.54Å; H67-Q70 WeakPolarHBondContact O-CA 3.33Å; H67-Q70 WeakPolarHBondContact O-CB 3.19Å; H67-Q70 PolarHBondContact O-N 2.9Å; A68-Q70 VanDerWaalsContact C-N 3.29Å; A68-Q70 PolarHBondContact O-N 3.32Å; Q70-R73 PolarHBondContact O-N 3.39Å; Q70-Q74 WeakPolarHBondContact O-CB 3.49Å; Q70-Q74 PolarHBondContact O-N 3.41Å
71V93.6Very high90.2Very high16 Ų1670 Ų7010%0.09735%0.353CS..Hα-helixtrans-62.9-45.2177.8171.30000110.2F14 L42 H67 A68 R73 Q74 D75F14-V71 HydrophobicContact CD2-CG2 4.2Å; F14-V71 HydrophobicContact CE2-CB 4.49Å; F14-V71 HydrophobicContact CE2-CG2 3.92Å; L42-V71 HydrophobicContact CD1-CB 4.41Å; L42-V71 HydrophobicContact CD1-CG1 3.95Å; H67-V71 WeakPolarHBondContact NE2-CG2 3.42Å; H67-V71 WeakPolarHBondContact O-CG2 3.41Å; H67-V71 PolarHBondContact O-N 3.49Å; A68-V71 PolarHBondContact O-N 3.23Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.24Å; V71-Q74 CarbonylContact O-C 3.56Å; V71-Q74 WeakPolarHBondContact O-CA 3.41Å; V71-Q74 WeakPolarHBondContact O-CB 3.28Å; V71-Q74 PolarHBondContact O-N 3.36Å; V71-D75 WeakPolarHBondContact O-CB 3.33Å; V71-D75 PolarHBondContact O-N 2.86Å
72H89.8Confident88.7Confident80 Ų8075.3 Ų75.337%0.3738%0.378SS..Hα-helixtrans-59-44.5176.4-176.272.3000112.5M43 A68 Q74 D75 M76M43-H72 HydrophobicContact CG-CB 4.02Å; M43-H72 HydrophobicContact SD-CB 3.77Å; A68-H72 PolarHBondContact O-N 3.32Å; H72-Q74 VanDerWaalsContact C-N 3.33Å; H72-Q74 PolarHBondContact O-N 2.86Å; H72-D75 PolarHBondContact O-N 3.14Å; H72-M76 WeakPolarHBondContact O-CG 3.49Å; H72-M76 PolarHBondContact O-N 3.09Å; H72-M76 VanDerWaalsContact O-N 3.09Å
73R90.8Very high87Confident159 Ų15973.7 Ų73.760%0.638%0.38SS*.Hα-helixtrans-62.6-41.8174-169.7-170.7-51.3-171.62.9111.7K69 Q70 V71 M76 C77K69-R73 WeakPolarHBondContact O-CB 3.41Å; K69-R73 PolarHBondContact O-N 3.02Å; K69-R73 VanDerWaalsContact O-N 3.15Å; Q70-R73 PolarHBondContact O-N 3.39Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.24Å; R73-M76 PolarHBondContact O-N 3.13Å; R73-C77 PolarHBondContact O-N 2.96Å; R73-C77 PolarHBondContact O-SG 2.79Å; R73-C77 VanDerWaalsContact O-SG 3.34Å
74Q89.9Confident85.3Confident89 Ų8978.2 Ų78.242%0.41640%0.4SS..Hα-helixtrans-63.8-42.7179.2-166.2-170.735.600111.1Q70 V71 H72 M76 C77 K78Q70-Q74 WeakPolarHBondContact O-CB 3.49Å; Q70-Q74 PolarHBondContact O-N 3.41Å; V71-Q74 CarbonylContact O-C 3.56Å; V71-Q74 WeakPolarHBondContact O-CA 3.41Å; V71-Q74 WeakPolarHBondContact O-CB 3.28Å; V71-Q74 PolarHBondContact O-N 3.36Å; H72-Q74 VanDerWaalsContact C-N 3.33Å; H72-Q74 PolarHBondContact O-N 2.86Å; Q74-M76 VanDerWaalsContact C-N 3.35Å; Q74-C77 CarbonylContact O-C 3.58Å; Q74-C77 PolarHBondContact O-N 2.98Å; Q74-K78 VanDerWaalsContact CD-CE 3.41Å; Q74-K78 VanDerWaalsContact CD-NZ 3.29Å; Q74-K78 HydrophobicContact CG-CD 4.22Å; Q74-K78 HydrophobicContact CG-CG 4.43Å; Q74-K78 WeakPolarHBondContact O-CB 3.36Å; Q74-K78 VanDerWaalsContact O-CG 3.28Å; Q74-K78 WeakPolarHBondContact O-CG 3.26Å; Q74-K78 PolarHBondContact O-N 3.37Å
75D87.3Confident83.5Confident49 Ų4983.2 Ų83.226%0.26243%0.43SS..Hα-helixtrans-66.8-37.3179.8-70.1-12000111.3V71 H72 K78 M79V71-D75 WeakPolarHBondContact O-CB 3.33Å; V71-D75 PolarHBondContact O-N 2.86Å; H72-D75 PolarHBondContact O-N 3.14Å; D75-K78 PolarHBondContact O-N 3.5Å; D75-K78 IonicContact OD1-NZ 3.97Å; D75-M79 WeakPolarHBondContact O-CB 3.41Å; D75-M79 WeakPolarHBondContact O-CG 3.45Å; D75-M79 PolarHBondContact O-N 3.28Å
76M82.6Confident81.3Confident98 Ų9886.5 Ų86.548%0.48346%0.457SS..Hα-helixtrans-63-43.6170-67.9-66.798.800112.4H72 R73 Q74 K78 M79 A80H72-M76 WeakPolarHBondContact O-CG 3.49Å; H72-M76 PolarHBondContact O-N 3.09Å; H72-M76 VanDerWaalsContact O-N 3.09Å; R73-M76 PolarHBondContact O-N 3.13Å; Q74-M76 VanDerWaalsContact C-N 3.35Å; M76-K78 VanDerWaalsContact C-N 3.35Å; M76-M79 HydrophobicContact CE-SD 3.77Å; M76-A80 WeakPolarHBondContact O-CB 3.49Å; M76-A80 PolarHBondContact O-N 3.44Å
77C80.8Confident79.2Confident80 Ų8080.8 Ų80.854%0.54144%0.442SS..Hα-helixtrans-65.9-36.8175-690000112.4R73 Q74 A81R73-C77 PolarHBondContact O-N 2.96Å; R73-C77 PolarHBondContact O-SG 2.79Å; R73-C77 VanDerWaalsContact O-SG 3.34Å; Q74-C77 CarbonylContact O-C 3.58Å; Q74-C77 PolarHBondContact O-N 2.98Å; C77-A81 VanDerWaalsContact O-CB 3.23Å; C77-A81 WeakPolarHBondContact O-CB 3.43Å; C77-A81 PolarHBondContact O-N 2.79Å
78K84.4Confident76.8Confident85 Ų8585 Ų8537%0.3746%0.462SS..Hα-helixtrans-67.5-45.6176-75.7170.2-1781610111Q74 D75 M76 A80 A81 E82Q74-K78 VanDerWaalsContact CD-CE 3.41Å; Q74-K78 VanDerWaalsContact CD-NZ 3.29Å; Q74-K78 HydrophobicContact CG-CD 4.22Å; Q74-K78 HydrophobicContact CG-CG 4.43Å; Q74-K78 WeakPolarHBondContact O-CB 3.36Å; Q74-K78 VanDerWaalsContact O-CG 3.28Å; Q74-K78 WeakPolarHBondContact O-CG 3.26Å; Q74-K78 PolarHBondContact O-N 3.37Å; D75-K78 PolarHBondContact O-N 3.5Å; D75-K78 IonicContact OD1-NZ 3.97Å; M76-K78 VanDerWaalsContact C-N 3.35Å; K78-A80 PolarHBondContact O-N 3.47Å; K78-A81 CarbonylContact O-C 3.55Å; K78-A81 PolarHBondContact O-N 3.21Å; K78-A81 VanDerWaalsContact O-N 3.17Å; K78-E82 VanDerWaalsContact O-CB 3.26Å; K78-E82 WeakPolarHBondContact O-CB 3.1Å; K78-E82 WeakPolarHBondContact O-CG 3.44Å; K78-E82 PolarHBondContact O-N 3.4Å
79M77.8Confident74.3Confident117 Ų11791.8 Ų91.858%0.57650%0.503SS*.Hα-helixtrans-63.8-39.9176.7-76.5175.4-179.300112.2D75 M76 A83D75-M79 WeakPolarHBondContact O-CB 3.41Å; D75-M79 WeakPolarHBondContact O-CG 3.45Å; D75-M79 PolarHBondContact O-N 3.28Å; M76-M79 HydrophobicContact CE-SD 3.77Å; M79-A83 VanDerWaalsContact O-CB 3.28Å; M79-A83 WeakPolarHBondContact O-CB 3.28Å; M79-A83 PolarHBondContact O-N 3.21Å
80A76.6Confident72.3Confident57 Ų5789.1 Ų89.147%0.47150%0.501SS..Hα-helixtrans-64.3-41.1172.900000111.7M76 K78 I84M76-A80 WeakPolarHBondContact O-CB 3.49Å; M76-A80 PolarHBondContact O-N 3.44Å; K78-A80 PolarHBondContact O-N 3.47Å; A80-I84 VanDerWaalsContact O-CD1 3.29Å; A80-I84 WeakPolarHBondContact O-CD1 3.23Å; A80-I84 WeakPolarHBondContact O-CG1 3.35Å; A80-I84 PolarHBondContact O-N 3.09Å
81A73Confident70Confident50 Ų5088 Ų8841%0.41350%0.501SS..Hα-helixtrans-70.7-37.2177.400000113.2C77 K78 I84 T85C77-A81 VanDerWaalsContact O-CB 3.23Å; C77-A81 WeakPolarHBondContact O-CB 3.43Å; C77-A81 PolarHBondContact O-N 2.79Å; K78-A81 CarbonylContact O-C 3.55Å; K78-A81 PolarHBondContact O-N 3.21Å; K78-A81 VanDerWaalsContact O-N 3.17Å; A81-I84 WeakPolarHBondContact O-CB 3.21Å; A81-I84 PolarHBondContact O-N 3.34Å; A81-T85 PolarHBondContact O-N 3.15Å
82E66.3Low67.8Low121 Ų12193.4 Ų93.457%0.56553%0.525SS*.Hα-helixtrans-73.8-31.1176.5-76.6-179.3167.500111.5K78 I84 T85 S86K78-E82 VanDerWaalsContact O-CB 3.26Å; K78-E82 WeakPolarHBondContact O-CB 3.1Å; K78-E82 WeakPolarHBondContact O-CG 3.44Å; K78-E82 PolarHBondContact O-N 3.4Å; E82-I84 PolarHBondContact O-N 3.37Å; E82-T85 PolarHBondContact O-N 3.06Å; E82-S86 WeakPolarHBondContact O-CA 3.29Å; E82-S86 WeakPolarHBondContact O-CB 3.46Å; E82-S86 PolarHBondContact O-N 2.77Å
83A61.6Low65.9Low70 Ų7091.9 Ų91.958%0.57953%0.526SS*.Hα-helixtrans-61.9-32.3167.700000111.6M79 G87M79-A83 VanDerWaalsContact O-CB 3.28Å; M79-A83 WeakPolarHBondContact O-CB 3.28Å; M79-A83 PolarHBondContact O-N 3.21Å; A83-G87 PolarHBondContact O-N 3.48Å
84I61.3Low63.8Low116 Ų11688.9 Ų88.960%0.59552%0.519SS*.Hα-helixtrans-77.9-40.6175.4-55.3158.5000110.7A80 A81 E82 Q88A80-I84 VanDerWaalsContact O-CD1 3.29Å; A80-I84 WeakPolarHBondContact O-CD1 3.23Å; A80-I84 WeakPolarHBondContact O-CG1 3.35Å; A80-I84 PolarHBondContact O-N 3.09Å; A81-I84 WeakPolarHBondContact O-CB 3.21Å; A81-I84 PolarHBondContact O-N 3.34Å; E82-I84 PolarHBondContact O-N 3.37Å; I84-Q88 WeakPolarHBondContact O-CG 3.17Å
85T61Low61.6Low105 Ų10588.6 Ų88.664%0.64452%0.52SS*.Hα-helixtrans-74.2-46.4-180-84.20000113.3A81 E82 G87 Q88A81-T85 PolarHBondContact O-N 3.15Å; E82-T85 PolarHBondContact O-N 3.06Å; T85-G87 PolarHBondContact O-N 2.84Å; T85-Q88 PolarHBondContact O-N 3.34Å
86S50.5Low59.9Low109 Ų10995.6 Ų95.676%0.76254%0.543SS*.THydrogen-bonded Turntrans-74-14.1177.4-1690000112.4E82E82-S86 WeakPolarHBondContact O-CA 3.29Å; E82-S86 WeakPolarHBondContact O-CB 3.46Å; E82-S86 PolarHBondContact O-N 2.77Å
87G52.4Low58.6Low34 Ų3499.2 Ų99.235%0.35155%0.551SS.*THydrogen-bonded Turntrans-88.72.5171.600000115.1A83 T85 T89 S90A83-G87 PolarHBondContact O-N 3.48Å; T85-G87 PolarHBondContact O-N 2.84Å; G87-T89 PolarHBondContact O-N 2.94Å; G87-S90 PolarHBondContact O-N 3.22Å
88Q47.1Very low57.3Low123 Ų12398.7 Ų98.758%0.57555%0.545SS*.THydrogen-bonded Turntrans-95.365.8178.2-59.3-143.6-100.400113.8I84 T85 V91I84-Q88 WeakPolarHBondContact O-CG 3.17Å; T85-Q88 PolarHBondContact O-N 3.34Å; Q88-V91 HydrophobicContact CB-CG2 4.17Å; Q88-V91 HydrophobicContact CG-CG2 3.48Å; Q88-V91 VanDerWaalsContact CG-CG2 3.48Å
89T45.1Very low55.9Low143 Ų14396.9 Ų96.988%0.87755%0.546SS*.THydrogen-bonded Turn-115.44.2126.4570000112.5G87G87-T89 PolarHBondContact O-N 2.94Å
90S51.7Low55.1Low75 Ų75100.1 Ų100.152%0.52456%0.557SS.*SBendtrans-109.4-2.4-177-165.30000115.9G87 A93G87-S90 PolarHBondContact O-N 3.22Å; S90-A93 PolarHBondContact O-N 2.84Å
91V47.1Very low54.8Low73 Ų73100.8 Ų100.844%0.44256%0.555SS.*Hα-helixtrans-88.6-12.2176.4-132.70000113.1Q88 L95Q88-V91 HydrophobicContact CB-CG2 4.17Å; Q88-V91 HydrophobicContact CG-CG2 3.48Å; Q88-V91 VanDerWaalsContact CG-CG2 3.48Å; V91-L95 WeakPolarHBondContact O-CB 3.45Å
92Q46.9Very low54.7Low128 Ų128103.3 Ų103.360%0.59857%0.568SS**Hα-helixtrans-73.5-28.7164.3-79.6-84.3-4.300111.4R96Q92-R96 WeakPolarHBondContact O-CB 3.48Å; Q92-R96 WeakPolarHBondContact O-CG 3.3Å; Q92-R96 PolarHBondContact O-N 3.06Å
93A49.8Very low54.9Low49 Ų49100.3 Ų100.341%0.40556%0.564SS.*Hα-helixtrans-80.9-33.1-178.100000113.4S90S90-A93 PolarHBondContact O-N 2.84Å
94E46.8Very low55.7Low95 Ų9598.8 Ų98.844%0.44455%0.547SS..Hα-helixtrans-80.8-34.1178.9-154.270.6-168.500112.6R96 R97 T98E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 2.71Å; E94-R97 PolarHBondContact O-N 3.17Å; E94-R97 IonicContact OE1-NH2 2.73Å; E94-R97 IonicContact OE2-CZ 3.95Å; E94-R97 IonicContact OE2-NE 3.69Å; E94-R97 IonicContact OE2-NH2 3.58Å; E94-R97 PolarHBondContact OE2-NH2 3Å; E94-T98 PolarHBondContact O-N 3.46Å; E94-T98 PolarHBondContact O-OG1 3.01Å; E94-T98 VanDerWaalsContact O-OG1 3.12Å
95L44.2Very low56.5Low84 Ų84100.9 Ų100.944%0.4455%0.547SS..Hα-helixtrans-72.2-25.7176.6-171.661000112.4V91 R97 T104V91-L95 WeakPolarHBondContact O-CB 3.45Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-T104 HydrophobicContact CD1-CG2 3.31Å
96R51.2Low57.4Low196 Ų196102.6 Ų102.674%0.7455%0.55SS*.THydrogen-bonded Turntrans-72-20.3171.3-72.3-84.8154.783.7-0.4112.8Q92 E94Q92-R96 WeakPolarHBondContact O-CB 3.48Å; Q92-R96 WeakPolarHBondContact O-CG 3.3Å; Q92-R96 PolarHBondContact O-N 3.06Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 2.71Å
97R55.2Low58.8Low173 Ų173102.5 Ų102.565%0.65354%0.54SS*.THydrogen-bonded Turntrans-99.8-13.9-178.4-70.5-170.9-65.8164.32.3115.2E94 L95E94-R97 PolarHBondContact O-N 3.17Å; E94-R97 IonicContact OE1-NH2 2.73Å; E94-R97 IonicContact OE2-CZ 3.95Å; E94-R97 IonicContact OE2-NE 3.69Å; E94-R97 IonicContact OE2-NH2 3.58Å; E94-R97 PolarHBondContact OE2-NH2 3Å; L95-R97 VanDerWaalsContact C-N 3.29Å
98T53.6Low60Low69 Ų69103 Ų10342%0.42354%0.54SS..  trans-122.328-173.261.10000115E94 K100E94-T98 PolarHBondContact O-N 3.46Å; E94-T98 PolarHBondContact O-OG1 3.01Å; E94-T98 VanDerWaalsContact O-OG1 3.12Å; T98-K100 PolarHBondContact O-N 3.33Å
99A54.4Low61.2Low48 Ų48103 Ų10340%0.39755%0.545SS..THydrogen-bonded Turntrans-70.134.7174.600000115.2R105A99-R105 PolarHBondContact O-NE 3.3Å; A99-R105 PolarHBondContact O-NH2 3.38Å; A99-R105 VanDerWaalsContact O-NH2 3.11Å
100K61Low62.5Low185 Ų18599.5 Ų99.580%0.80453%0.53SS*.THydrogen-bonded Turntrans-96.6-13.3-177.9-60.4-176.7-174.6177.60113.6T98T98-K100 PolarHBondContact O-N 3.33Å
101T70.9Confident63.6Low70 Ų70102.1 Ų102.143%0.42954%0.537SS..SBendtrans-105.9143.1179.661.30000112.4A103 T104 R105T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 PolarHBondContact O-N 3.35Å; T101-T104 PolarHBondContact O-N 2.71Å; T101-T104 PolarHBondContact OG1-OG1 3.29Å; T101-R105 PolarHBondContact O-N 2.88Å
102P71Confident64.7Low104 Ų104101.6 Ų101.668%0.67554%0.537SS*.Hα-helixtrans-62.8-35-17920.7-29.6000112.7T104 R105 M106P102-T104 PolarHBondContact O-N 3.29Å; P102-R105 PolarHBondContact O-N 2.85Å; P102-M106 WeakPolarHBondContact O-CG 3.4Å; P102-M106 PolarHBondContact O-N 3.2Å; P102-M106 VanDerWaalsContact O-N 3.1Å
103A71.1Confident65.3Low58 Ų58104.1 Ų104.148%0.47955%0.548SS..Hα-helixtrans-62.2-43.6178.100000112.6T101 R105 M106 I107T101-A103 VanDerWaalsContact C-N 3.3Å; T101-A103 PolarHBondContact O-N 3.35Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 3.34Å; A103-M106 PolarHBondContact O-N 2.93Å; A103-I107 WeakPolarHBondContact O-CG1 3.47Å; A103-I107 PolarHBondContact O-N 3.13Å; A103-I107 VanDerWaalsContact O-N 3.11Å
104T77.2Confident65.5Low37 Ų37108.1 Ų108.123%0.22756%0.563CS.*Hα-helixtrans-63.8-36.9178.9-59.20000111.8L95 T101 P102 A108L95-T104 HydrophobicContact CD1-CG2 3.31Å; T101-T104 PolarHBondContact O-N 2.71Å; T101-T104 PolarHBondContact OG1-OG1 3.29Å; P102-T104 PolarHBondContact O-N 3.29Å; T104-A108 WeakPolarHBondContact O-CB 3.46Å; T104-A108 PolarHBondContact O-N 3.11Å
105R77.3Confident65.1Low160 Ų160108.3 Ų108.360%0.60458%0.575SS**Hα-helixtrans-66.8-41.2174.7-68.4-173.4-160.4-162.24.2112.2A99 T101 P102 A103 I107 A108 N109A99-R105 PolarHBondContact O-NE 3.3Å; A99-R105 PolarHBondContact O-NH2 3.38Å; A99-R105 VanDerWaalsContact O-NH2 3.11Å; T101-R105 PolarHBondContact O-N 2.88Å; P102-R105 PolarHBondContact O-N 2.85Å; A103-R105 VanDerWaalsContact C-N 3.31Å; A103-R105 PolarHBondContact O-N 3.34Å; R105-I107 VanDerWaalsContact C-N 3.31Å; R105-I107 PolarHBondContact O-N 3.3Å; R105-A108 PolarHBondContact O-N 3.31Å; R105-N109 WeakPolarHBondContact O-CB 3.04Å; R105-N109 PolarHBondContact O-N 2.88Å
106M80.7Confident65.6Low142 Ų142109.9 Ų109.970%0.759%0.59SS**Hα-helixtrans-62.5-40.3178.7-71.1-176.168.200111.9P102 A103 A110P102-M106 WeakPolarHBondContact O-CG 3.4Å; P102-M106 PolarHBondContact O-N 3.2Å; P102-M106 VanDerWaalsContact O-N 3.1Å; A103-M106 PolarHBondContact O-N 2.93Å; M106-A110 VanDerWaalsContact O-CB 3.28Å; M106-A110 WeakPolarHBondContact O-CB 3.46Å; M106-A110 PolarHBondContact O-N 3.23Å
107I80.4Confident65.3Low107 Ų107106.1 Ų106.155%0.54959%0.591SS.*Hα-helixtrans-67.5-47.7177.7-62.9164.7000110.6A103 R105 N109 A110 L111A103-I107 WeakPolarHBondContact O-CG1 3.47Å; A103-I107 PolarHBondContact O-N 3.13Å; A103-I107 VanDerWaalsContact O-N 3.11Å; R105-I107 VanDerWaalsContact C-N 3.31Å; R105-I107 PolarHBondContact O-N 3.3Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 2.75Å; I107-A110 PolarHBondContact O-N 2.89Å; I107-L111 HydrophobicContact CG2-CD1 3.79Å; I107-L111 WeakPolarHBondContact O-CD1 3.19Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 3.04Å; I107-L111 VanDerWaalsContact O-N 3.14Å
108A76.6Confident64.5Low43 Ų43102.1 Ų102.136%0.35560%0.595SS.*Hα-helixtrans-60.1-43.8177.500000111.8T104 R105 L111 S112T104-A108 WeakPolarHBondContact O-CB 3.46Å; T104-A108 PolarHBondContact O-N 3.11Å; R105-A108 PolarHBondContact O-N 3.31Å; A108-L111 PolarHBondContact O-N 3.13Å; A108-S112 PolarHBondContact O-N 3.14Å; A108-S112 PolarHBondContact O-OG 2.99Å
109N72.9Confident64Low125 Ų125103.9 Ų103.967%0.66861%0.606SS**Hα-helixtrans-69-33.3-178.5-158.268.2000112.8R105 I107 S112R105-N109 WeakPolarHBondContact O-CB 3.04Å; R105-N109 PolarHBondContact O-N 2.88Å; I107-N109 VanDerWaalsContact C-N 3.33Å; I107-N109 PolarHBondContact O-N 2.75Å; N109-S112 WeakPolarHBondContact CA-OG 3.28Å; N109-S112 PolarHBondContact O-OG 2.91Å; N109-S112 VanDerWaalsContact O-OG 3.12Å
110A72Confident63.4Low69 Ų69108.4 Ų108.457%0.5763%0.631SS**Hα-helixtrans-74.1-27.7176.500000113.1M106 I107M106-A110 VanDerWaalsContact O-CB 3.28Å; M106-A110 WeakPolarHBondContact O-CB 3.46Å; M106-A110 PolarHBondContact O-N 3.23Å; I107-A110 PolarHBondContact O-N 2.89Å
111L75.6Confident62.6Low130 Ų130104.8 Ų104.868%0.68162%0.624SS**Hα-helixtrans-85.6-26.3178.1-69.1167.9000112.7I107 A108 H113I107-L111 HydrophobicContact CG2-CD1 3.79Å; I107-L111 WeakPolarHBondContact O-CD1 3.19Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.36Å; I107-L111 PolarHBondContact O-N 3.04Å; I107-L111 VanDerWaalsContact O-N 3.14Å; A108-L111 PolarHBondContact O-N 3.13Å; L111-H113 PolarHBondContact O-N 3.34Å; L111-H113 VanDerWaalsContact O-N 3.13Å
112S69.2Low61.1Low61 Ų61110.8 Ų110.843%0.42764%0.639SS.*  trans-76.693.5167.544.10000109.6A108 N109 D114A108-S112 PolarHBondContact O-N 3.14Å; A108-S112 PolarHBondContact O-OG 2.99Å; N109-S112 WeakPolarHBondContact CA-OG 3.28Å; N109-S112 PolarHBondContact O-OG 2.91Å; N109-S112 VanDerWaalsContact O-OG 3.12Å; S112-D114 PolarHBondContact O-N 3.05Å
113H60.2Low60Low181 Ų181115 Ų11584%0.83864%0.641SS**  trans-71.442.3163.3-66.5-69.3000111.8L111L111-H113 PolarHBondContact O-N 3.34Å; L111-H113 VanDerWaalsContact O-N 3.13Å
114D53.2Low59Low134 Ų134117.6 Ų117.672%0.71765%0.653SS**  trans-90.5115.3178-164.449.4000108.2S112S112-D114 PolarHBondContact O-N 3.05Å
115S40.2Very low57.6Low99 Ų99123.6 Ų123.669%0.69268%0.682SS**PPolyproline II helixtrans-63.8140.3170.3-720000108.6
116P53.5Low56.1Low117 Ų117122.4 Ų122.476%0.7669%0.688SS**PPolyproline II helixtrans-58.5137.117624.9-31.6000109.1A118P116-A118 PolarHBondContact O-N 3.05Å
117P45.4Very low54.6Low116 Ų116122.3 Ų122.375%0.75369%0.69SS**PPolyproline II helixtrans-58.8137.6-176.922.6-32.1000110.4T119P117-T119 PolarHBondContact O-N 3.44Å
118A37.8Very low53.2Low90 Ų90127.9 Ų127.974%0.74470%0.704SS**PPolyproline II helixtrans-48.6124.9171.900000110.7P116P116-A118 PolarHBondContact O-N 3.05Å
119T42.9Very low52.2Low106 Ų106134.4 Ų134.465%0.6573%0.732SS**  trans24.2113.8149.452.30000117.9P117 V121P117-T119 PolarHBondContact O-N 3.44Å; T119-V121 PolarHBondContact O-N 3.24Å; T119-V121 VanDerWaalsContact O-N 3.15Å
120P42.4Very low50.9Low143 Ų143133 Ų13393%0.92973%0.732SS**  trans-75.3103.1153.629.2-28000108.9
121V44.5Very low49.7Very low109 Ų109136.3 Ų136.366%0.66175%0.745SS**  trans-85.8123.3173.3165.80000110T119T119-V121 PolarHBondContact O-N 3.24Å; T119-V121 VanDerWaalsContact O-N 3.15Å
122R38.9Very low48.5Very low195 Ų195135.8 Ų135.874%0.73675%0.747SS**  trans127.9137.3148.9-77.1-175.9178.8-173.41.2113.2
123R47.8Very low47.4Very low194 Ų194139.4 Ų139.473%0.73277%0.767SS**  cis-172.9171.5-11.5-114.9-173.9-152.6152.91105.7
124P50.6Low46.4Very low112 Ų112136 Ų13673%0.72776%0.763SS**  trans-93139.9-150.436-33.7000114
125I47.3Very low46.1Very low163 Ų163137.2 Ų137.284%0.83677%0.77SS**  trans-149.5141.7150.7-49.7178.7000108.2
126D46.7Very low46.4Very low135 Ų135140 Ų14072%0.72278%0.776SS**  trans-31.5156.7-172.5-66.9-72.7000123.7
127N48.9Very low45.7Very low140 Ų140143.4 Ų143.475%0.74978%0.782SS**  trans94.1109.2142.5-73.1-20.4000121.6
128R51.5Low45.1Very low223 Ų223142.5 Ų142.584%0.84278%0.784SS**  trans63.8106136-73.7-172.6148.1-119.6-2.8117.7
129L55.5Low45.3Very low180 Ų180144.7 Ų144.794%0.94278%0.783SS**  -161.1106.7125.2-94140.6000110
130S44.1Very low45.2Very low95 Ų95149.2 Ų149.266%0.66479%0.794SS**  trans-79133.6171.747.80000111
131V46.9Very low44.8Very low139 Ų139149.3 Ų149.384%0.84279%0.786SS**  trans-130.785.2150.2-175.20000107.4
132T50.6Low44.4Very low119 Ų119149 Ų14973%0.7379%0.789SS**  trans-80.6122168.445.30000108.8
133V45.8Very low44.2Very low138 Ų138149 Ų14984%0.83680%0.795SS**  trans-87.6112.3160.7179.90000107.1
134S40.2Very low43.3Very low109 Ų109143.6 Ų143.676%0.76279%0.791SS**  trans-62.9135.2179.2-54.60000112
135N46.2Very low42.3Very low159 Ų159144.5 Ų144.585%0.8580%0.795SS**  trans-139.9105.4145.6-16811.6000108.6
136L47.5Very low41.5Very low157 Ų157142.4 Ų142.482%0.82279%0.789SS**  trans-146.4115.4168.2-155.275000109.6
137Q37.4Very low40.7Very low190 Ų190141 Ų14189%0.88879%0.789SS**  trans175.4135.7143-96.4168.5100.200106.8
138A34.3Very low40.1Very low96 Ų96143.1 Ų143.179%0.79380%0.795SS**  cis-154.6152.717.100000111.6
139N41.5Very low39.5Very low136 Ų136138.7 Ų138.773%0.72780%0.795SS**  trans-65.1145.5169.3177.610.6000112.3
140K40.3Very low38.4Very low201 Ų201134.5 Ų134.587%0.87479%0.787SS**  -175.2101.9127.9-96.5161.9-170.9-178.10112.3
141N34.5Very low37.8Very low145 Ų145136.2 Ų136.278%0.77579%0.788SS**  trans19.2125.1134.7-147.528.2000119.3
142S35.9Very low37.2Very low104 Ų104138 Ų13873%0.72779%0.787SS**  175.3132.6110.150.40000113.4
143K34.4Very low36.3Very low195 Ų195136 Ų13685%0.84879%0.791SS**  trans71.197.2130.6-158.1168.6-175.1176.30119.1
144A29Very low36.1Very low80 Ų80139.1 Ų139.166%0.66179%0.793SS**  78.6135.9118.500000120.4
145V29.2Very low36.3Very low131 Ų131139.8 Ų139.879%0.79479%0.794SS**  88.2118.7128.8142.10000117.2
146V32.2Very low35.7Very low118 Ų118136.8 Ų136.872%0.71579%0.792SS**  trans87.9105.4135.9160.20000118.6
147S29.4Very low35.1Very low105 Ų105133.7 Ų133.773%0.73479%0.789SS**  80.1127.3119.7-52.80000121
148Q35.7Very low35.4Very low186 Ų186134.8 Ų134.887%0.86979%0.791SS**  trans-52.1152143.6-78.4-176.6-23.300109.9
149P39.9Very low35.9Very low129 Ų129142 Ų14284%0.83880%0.797SS**  -155.4-168.46539-14.5000116.6
150A30.8Very low36.4Very low93 Ų93146.9 Ų146.977%0.76981%0.806SS**  trans-33.4159.4179.200000121.2
151D31.6Very low36.6Very low131 Ų131148.2 Ų148.270%0.70181%0.805SS**  120.2127.8125.4-149.351.4000118.6
152E34.7Very low37Very low176 Ų176148 Ų14882%0.82281%0.809SS**  trans51.8138.4153.4-73.9-178.6-175.100125
153G32.8Very low37.4Very low77 Ų77148.3 Ų148.379%0.79481%0.806SS**  trans112.3111.6146.600000118.7
154K39.9Very low37.9Very low204 Ų204142.7 Ų142.789%0.88780%0.797SS**  trans-67171.3158.5-58.9-168.7-179.4-163.30110
155P44.2Very low38.5Very low122 Ų122148 Ų14879%0.79281%0.808SS**  cis-137.5172.57.839.6-20.6000114.8
156A33.5Very low39.2Very low97 Ų97150.4 Ų150.480%0.80281%0.812SS**  trans162.3124.513600000115.1
157A36Very low39.8Very low92 Ų92154 Ų15476%0.7682%0.821SS**  trans55108.5134.300000121.8
158K44.3Very low40.5Very low213 Ų213151.8 Ų151.893%0.92682%0.815SS**  -149.376.4126-136.6133.5-175170.40111.5
159R45Very low40.9Very low246 Ų246150.9 Ų150.993%0.92882%0.816SS**  trans-79.9113.4160.5-63.9178.576.7-160.54.2106.7R161R159-R161 PolarHBondContact O-N 3.28Å
160R50.9Low41.5Very low240 Ų240154 Ų15491%0.90682%0.816SS**PPolyproline II helixtrans-80.2117.8168.6-116.8170.166.2168.4-0.3108.2
161R44.3Very low42.7Very low228 Ų228160.9 Ų160.986%0.8682%0.822SS**PPolyproline II helixtrans-55.3126.1-176.3-144.3173.9-160.51511.5110.8R159 T163R159-R161 PolarHBondContact O-N 3.28Å; R161-T163 HydrophobicContact CG-CG2 4.15Å
162V44.1Very low44.1Very low141 Ų141159.3 Ų159.386%0.85582%0.818SS**PPolyproline II helixtrans-84.3121.4158.5172.50000106.1
163T44.4Very low45.6Very low110 Ų110153.6 Ų153.668%0.67580%0.797SS**  trans-119.795.3167.948.70000108R161R161-T163 HydrophobicContact CG-CG2 4.15Å
164A44.8Very low47.1Very low78 Ų78155 Ų15565%0.64579%0.79SS**  29.2123.1126.900000120.4
165E40.9Very low48.2Very low190 Ų190153.7 Ų153.789%0.88878%0.784SS**  72.798.2128.4-49.1-79.4144.100118.9
166M43.3Very low49.2Very low182 Ų182154.3 Ų154.390%0.89778%0.777SS**  -147.413912171.5150.261.400110.3
167E44.7Very low50.7Low193 Ų193159.7 Ų159.790%0.90278%0.776SS**  trans-50149.7179.3-71177.2111.800114.3
168G45.2Very low52.2Low59 Ų59160.7 Ų160.761%0.60877%0.768SS**  trans161.593.6161.100000115.3
169L44Very low52.8Low167 Ų167153.1 Ų153.187%0.87475%0.751SS**  trans71111.6159-7079.4000117.3R171L169-R171 PolarHBondContact O-N 3.27Å
170K51.6Low53.3Low195 Ų195145.5 Ų145.585%0.84874%0.741SS**  trans-39.3108.5164.5-51.9-171.2-175.3-173.60110.1T172K170-T172 PolarHBondContact O-N 2.89Å
171R57Low53.5Low237 Ų237141.4 Ų141.489%0.89473%0.732SS**  trans-71.487.5162.6-77.9-175167.584.5-0.4106.7L169 S173L169-R171 PolarHBondContact O-N 3.27Å; R171-S173 PolarHBondContact O-N 3.4Å
172T59.7Low54Low99 Ų99134.1 Ų134.161%0.60772%0.716SS**  trans-49.5115.4173.9450000108.9K170K170-T172 PolarHBondContact O-N 2.89Å
173S67.8Low54.4Low56 Ų56135.9 Ų135.939%0.39272%0.716SS.*  trans-61.6137.7173.3178.20000108.6R171 F175 E176R171-S173 PolarHBondContact O-N 3.4Å; S173-F175 PolarHBondContact O-N 2.73Å; S173-F175 WeakPolarHBondContact OG-CD2 3.36Å; S173-F175 PolarHBondContact OG-N 3.33Å; S173-E176 WeakPolarHBondContact O-CB 3.44Å; S173-E176 PolarHBondContact O-N 3.17Å
174V63.9Low54.2Low106 Ų106135.6 Ų135.664%0.64273%0.726SS**Hα-helixtrans-55.8-26.6175.2-178.50000111.1R177 L178V174-R177 PolarHBondContact O-N 3.48Å; V174-L178 HydrophobicContact CG1-CD1 4.15Å; V174-L178 PolarHBondContact O-N 3.44Å
175F62Low53.9Low176 Ų176139.2 Ų139.277%0.77273%0.734SS**Hα-helixtrans-68.7-27.8175-63.3-83.9000113.9S173 G179S173-F175 PolarHBondContact O-N 2.73Å; S173-F175 WeakPolarHBondContact OG-CD2 3.36Å; S173-F175 PolarHBondContact OG-N 3.33Å; F175-G179 PolarHBondContact O-N 3.12Å
176E66.9Low54Low135 Ų135135.3 Ų135.363%0.63172%0.723SS**Hα-helixtrans-74.3-31.3172.1-98.3173.9161.100111.8S173S173-E176 WeakPolarHBondContact O-CB 3.44Å; S173-E176 PolarHBondContact O-N 3.17Å
177R63.8Low54Low211 Ų211132.2 Ų132.280%0.79672%0.715SS**Hα-helixtrans-72.8-38.1179.1-169.2122.693.4178.17.8112.5V174V174-R177 PolarHBondContact O-N 3.48Å
178L68.7Low53.9Low113 Ų113128.4 Ų128.459%0.59271%0.705SS**Hα-helixtrans-81.7-15.8178.3-72.8164000113.2V174V174-L178 HydrophobicContact CG1-CD1 4.15Å; V174-L178 PolarHBondContact O-N 3.44Å
179G56.6Low53.9Low54 Ų54130.2 Ų130.256%0.55771%0.708SS**THydrogen-bonded Turntrans-82.1-10.7179.600000115.1F175F175-G179 PolarHBondContact O-N 3.12Å
180A55.8Low54.5Low86 Ų86130 Ų13071%0.71171%0.708SS**SBendtrans-99.40.6-172.100000114.8
181E55Low54.5Low154 Ų154125.8 Ų125.872%0.7270%0.703SS**SBendtrans-101.543173.464.1-174.8127.500111.9
182S54.8Low54.6Low75 Ų75123.4 Ų123.452%0.52470%0.699SS.*SBendtrans-144.5133.1160.771.10000107.7
183M52.3Low54.8Low177 Ų177123.1 Ų123.187%0.87270%0.699SS**  trans86.366.3-176.3-33.7-46.8153.700116
184A39.6Very low54.4Low105 Ų105127.2 Ų127.287%0.86872%0.722SS**  trans-148.7101.114800000109.9
185D38.7Very low54.8Low154 Ų154123.9 Ų123.982%0.82471%0.709SS**  trans-74.1152.1167.8-152.2-4.2000109.4
186T43.2Very low55.4Low108 Ų108121 Ų12166%0.66371%0.705SS**  trans83.1122.9153.7-32.90000120.1
187T43.8Very low55Low116 Ų116122.5 Ų122.571%0.71271%0.71SS**  trans63.5144.1133.3-148.30000122.3
188T41.7Very low55.1Low113 Ų113115.1 Ų115.169%0.69369%0.691SS**  trans82.5114.6142.1-70.70000119.4
189S45.4Very low54.8Low98 Ų98119.9 Ų119.969%0.68570%0.701SS**  trans69.4116.8140.372.10000120.3
190N55.8Low55.1Low162 Ų162124.3 Ų124.387%0.86671%0.711SS**  54.378.3124.8-160.728000116.8
191S51.6Low55.1Low107 Ų107127.4 Ų127.475%0.74872%0.715SS**  trans-148.2132.2137.156.10000109.5P193S191-P193 WeakPolarHBondContact O-CD 3.32Å
192K59.8Low55.2Low187 Ų187129 Ų12981%0.81372%0.72SS**  trans-57.4114.5-168.5-164.888.8173-177.50112T194K192-T194 PolarHBondContact O-N 3.47Å
193P63.4Low54.8Low92 Ų92129 Ų12960%0.59773%0.731SS**  trans-76.9106.5168.528.4-28.6000108.6S191 G195 S198S191-P193 WeakPolarHBondContact O-CD 3.32Å; P193-G195 PolarHBondContact O-N 3.12Å; P193-S198 PolarHBondContact O-OG 3.05Å
194T59.8Low54.4Low143 Ų143127.3 Ų127.388%0.87773%0.726SS**  trans-79.249.2169.563.50000110.2K192K192-T194 PolarHBondContact O-N 3.47Å
195G72.1Confident54.9Low35 Ų35131.2 Ų131.236%0.36173%0.727SS.*SBendtrans-109.9156.3-178.200000111.5P193 F197 S198P193-G195 PolarHBondContact O-N 3.12Å; G195-F197 PolarHBondContact O-N 2.88Å; G195-S198 PolarHBondContact O-N 3.43Å; G195-S198 PolarHBondContact O-OG 2.95Å
196V73.8Confident54.9Low115 Ų115129 Ų12970%0.69772%0.723SS**G310 helixtrans-53-22.7-177-133.10000113.7
197F58.3Low54.7Low167 Ų167127.6 Ų127.673%0.73273%0.73SS**G310 helixtrans-75-21.9178.9-61.4-78.6000114.7G195 R199 L200G195-F197 PolarHBondContact O-N 2.88Å; F197-R199 PolarHBondContact O-N 3.4Å; F197-R199 VanDerWaalsContact O-N 3.12Å; F197-L200 PolarHBondContact O-N 3.11Å
198S67.2Low54.2Low56 Ų56130.9 Ų130.939%0.39274%0.737SS.*G310 helixtrans-68.2-12178.8-58.10000113.3P193 G195P193-S198 PolarHBondContact O-OG 3.05Å; G195-S198 PolarHBondContact O-N 3.43Å; G195-S198 PolarHBondContact O-OG 2.95Å
199R62.8Low54.1Low213 Ų213131.3 Ų131.380%0.80474%0.74SS**G310 helixtrans-78.3-20.5173-72.4178.3158.5153.2-5.1113.2F197F197-R199 PolarHBondContact O-N 3.4Å; F197-R199 VanDerWaalsContact O-N 3.12Å
200L63Low53.8Low148 Ų148132.8 Ų132.878%0.77575%0.747SS**THydrogen-bonded Turntrans-85.8-16.4178.6-69.4174.9000113F197F197-L200 PolarHBondContact O-N 3.11Å
201D54.5Low52.9Low150 Ų150134.6 Ų134.680%0.80275%0.747SS**SBendtrans-91.53.2-176-160.558.8000113.6
202K58.2Low52.4Low188 Ų188135.4 Ų135.482%0.81775%0.75SS**  trans-12285.5173.2-92.7-168.1168.6-154.80110
203G45.7Very low51.1Low74 Ų74130.1 Ų130.176%0.76375%0.749SS**  trans-172.776.8174.900000111
204D43.8Very low50Low143 Ų143133.2 Ų133.277%0.76576%0.76SS**  trans150.288.2142.9-169.2-13.6000110S206D204-S206 PolarHBondContact OD1-N 3.45Å
205E49.9Very low49.2Very low187 Ų187133.5 Ų133.587%0.87476%0.762SS**  trans-111.885.8153.158.7-174.2136.600107.7
206S39Very low47.5Very low106 Ų106139.2 Ų139.274%0.74178%0.784SS**  trans-178.5124.5151.453.10000111D204D204-S206 PolarHBondContact OD1-N 3.45Å
207G39.1Very low45.9Very low79 Ų79137.9 Ų137.981%0.81479%0.785SS**  trans162.958.9165.300000115.4
208E34Very low45Very low186 Ų186136.5 Ų136.587%0.86979%0.786SS**  trans-52.4137165.3-164.2165.6156.200111.3
209T40.2Very low44Very low121 Ų121142.7 Ų142.774%0.74281%0.811SS**  trans-8.9147.3166.859.90000119.2
210P38.1Very low42.8Very low129 Ų129136.2 Ų136.284%0.83881%0.81SS**  -147.4165.893.933-13000116.9
211K36Very low42.1Very low201 Ų201137.9 Ų137.987%0.87481%0.814SS**  trans-86.5171.1176.6-118.5-170.4169.2166.30111.9
212P41.4Very low41.6Very low124 Ų124138.5 Ų138.581%0.80582%0.817SS**  trans-88.1159.9-161.337.7-37.3000114.5
213G33.3Very low40.9Very low76 Ų76136.5 Ų136.578%0.78482%0.815SS**  trans-153.8140.2171.900000112.4
214D39.9Very low41Very low157 Ų157141.2 Ų141.284%0.8482%0.818SS**  trans-43.2143.6178.4-116.8-48.5000117.1
215T42.6Very low41.2Very low148 Ų148141.8 Ų141.891%0.90882%0.82SS**  trans-172.1141.6135.712.30000113.1
216D36.8Very low41.3Very low155 Ų155139.6 Ų139.683%0.82982%0.82SS**  trans-88.2171.3-173-171.4-97.2000113.1
217A40.8Very low42.1Very low88 Ų88143 Ų14373%0.72783%0.83SS**  trans76.2150.2166.900000117.4
218N38.9Very low42.4Very low138 Ų138141.4 Ų141.474%0.73881%0.814SS**  cis177.7148.3-10.2177.14.6000105.8
219M45.5Very low43.1Very low186 Ų186141.9 Ų141.992%0.91682%0.816SS**  trans51.7138157.5-91.1-148.3-159.500122.7
220G38.6Very low43.5Very low76 Ų76139.2 Ų139.278%0.78481%0.812SS**  trans158.289.2156.100000113.1
221E46.8Very low44.4Very low183 Ų183138.8 Ų138.886%0.85581%0.813SS**  trans-70.1139.2154.3-62.2172.4171.100107.7
222D43.9Very low45.4Very low163 Ų163135.3 Ų135.387%0.87281%0.808SS**  trans-177.1142.8142.2-87.7-38.3000110.1
223D45.4Very low46.3Very low147 Ų147136.8 Ų136.879%0.78681%0.808SS**  trans-76.7178-169.1-68.6-84.2000115.6
224E47.5Very low47.8Very low173 Ų173141.9 Ų141.981%0.80881%0.812SS**  trans101104.9149.6-46.7-164.9172.600119.5
225D48.3Very low48Very low154 Ų154144.8 Ų144.882%0.82481%0.812SS**  trans49.6102.4136.2-56.5-46000120.6
226T50.3Low48.7Very low142 Ų142142.2 Ų142.287%0.87181%0.806SS**  trans-135.6104.5144.8-140.60000110.6
227D55.8Low49.5Very low176 Ų176137.6 Ų137.694%0.94180%0.796SS**  trans-80.3113.4167.5-145.1-1000107
228G46.6Very low50.3Low46 Ų46139.7 Ų139.747%0.47480%0.799SS.*  trans-17485.5-169.200000112.1
229E47.8Very low50.8Low196 Ų196141.1 Ų141.192%0.91681%0.805SS**  trans34.2110.4135.470.1-147.3175.800119.1
230G49Very low51.1Low65 Ų65141.9 Ų141.967%0.6780%0.804SS**  trans117.866.4156.500000114.5V232G230-V232 PolarHBondContact O-N 3.36Å
231S57.4Low52Low121 Ų121149.2 Ų149.285%0.84681%0.808SS**  trans-66.780.2155.3-162.70000108.5L233S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3Å
232V56.8Low52Low127 Ų127146.5 Ų146.577%0.7781%0.806SS**  trans-65.996.2163.5170.10000105.2G230 Q234G230-V232 PolarHBondContact O-N 3.36Å; V232-Q234 PolarHBondContact O-N 3.17Å
233L59.4Low52Low156 Ų156143.1 Ų143.182%0.81780%0.801SS**  trans-45.5110164.2-83.4143.9000107.7S231 Y235S231-L233 VanDerWaalsContact C-N 3.28Å; S231-L233 PolarHBondContact O-N 3Å; L233-Y235 PolarHBondContact O-N 2.76Å
234Q64.9Low51.8Low183 Ų183142.1 Ų142.186%0.85580%0.802SS**  trans-52.5119.7169.5-79.3-179.6-900106.9V232 A236V232-Q234 PolarHBondContact O-N 3.17Å; Q234-A236 PolarHBondContact O-N 2.88Å
235Y44Very low51.6Low217 Ų217139.4 Ų139.485%0.85180%0.802SS**  trans-61.792.3174.1-135.6-95.8000107.1L233 G237L233-Y235 PolarHBondContact O-N 2.76Å; Y235-G237 VanDerWaalsContact C-N 3.28Å; Y235-G237 PolarHBondContact O-N 3.15Å
236A57.1Low51.5Low94 Ų94142 Ų14278%0.77781%0.807SS**  trans-64.199.6166.600000105.4Q234Q234-A236 PolarHBondContact O-N 2.88Å
237G55Low51Low59 Ų59144.9 Ų144.961%0.60881%0.807SS**  trans-43.8143-173.200000112.7Y235 L239Y235-G237 VanDerWaalsContact C-N 3.28Å; Y235-G237 PolarHBondContact O-N 3.15Å; G237-L239 PolarHBondContact O-N 3.26Å; G237-L239 VanDerWaalsContact O-N 3.11Å
238V57.5Low50.2Low132 Ų132146.8 Ų146.880%0.881%0.807SS**SBendtrans-27.3113.71601780000110.9K240V238-K240 PolarHBondContact O-N 2.8Å; V238-K240 VanDerWaalsContact O-N 3.13Å
239L50.2Low49.8Very low167 Ų167148.8 Ų148.887%0.87482%0.819SS**  trans1981.8157.4-146.273.7000115.5G237 R241G237-L239 PolarHBondContact O-N 3.26Å; G237-L239 VanDerWaalsContact O-N 3.11Å; L239-R241 PolarHBondContact O-N 2.93Å
240K51.1Low49.8Very low203 Ų203145.3 Ų145.388%0.88381%0.813SS**PPolyproline II helixtrans-63.6117.2164.8-154.1156.7171.61740108.2V238V238-K240 PolarHBondContact O-N 2.8Å; V238-K240 VanDerWaalsContact O-N 3.13Å
241R57.1Low49.2Very low229 Ų229146.6 Ų146.686%0.86482%0.818SS**PPolyproline II helixtrans-54.3147.4170.9-93.8171.4-90.8-170.9-6.3110.7L239L239-R241 PolarHBondContact O-N 2.93Å
242P46.9Very low48.4Very low126 Ų126146.8 Ų146.882%0.81882%0.819SS**PPolyproline II helixtrans-65.3148.7177.126.3-32.8000112.4
243A44.3Very low48Very low93 Ų93150.3 Ų150.377%0.76982%0.824SS**PPolyproline II helixtrans-63.4147.7-179.200000113.5
244P41.3Very low47.2Very low125 Ų125149.5 Ų149.581%0.81283%0.826SS**PPolyproline II helixtrans-76.912317030.1-31.6000111
245S43.8Very low46.4Very low116 Ų116146.4 Ų146.481%0.81182%0.821SS**PPolyproline II helixtrans-66.5130.5166.847.20000110.2K247S245-K247 PolarHBondContact O-N 3.1Å
246K44.5Very low46.7Very low210 Ų210141.9 Ų141.991%0.91382%0.819SS**  trans-64.4110.6167.2-65.3176.6-179.7177.10108.7
247K40.5Very low46.6Very low202 Ų202144.1 Ų144.188%0.87882%0.823SS**  trans-141.3126.8151.4-77.4-164.1178.9177.60111S245S245-K247 PolarHBondContact O-N 3.1Å
248K39Very low46.4Very low215 Ų215147.1 Ų147.194%0.93583%0.829SS**  trans-69.1142.7174.8-165.6168.1179.9176.70109.4
249A39.1Very low46.1Very low89 Ų89149.4 Ų149.474%0.73684%0.836SS**  trans-58.7179.8-173.800000115.2
250P47.2Very low46.4Very low122 Ų122152.4 Ų152.479%0.79284%0.836SS**  cis-148.1174.115.440.8-18.7000120.6
251A36.7Very low46.5Very low92 Ų92154.5 Ų154.576%0.7684%0.838SS**  trans88.9113.7142.800000121.8
252S40.7Very low45.9Very low125 Ų125151.3 Ų151.387%0.87484%0.837SS**  174.6149.1104.452.50000111.5
253K46.9Very low45.6Very low202 Ų202149 Ų14988%0.87884%0.837SS**  trans-94.7145.8-168-58.3171.1177.4176.40111.9
254T43.9Very low45.4Very low139 Ų139147.3 Ų147.385%0.85383%0.829SS**  trans-154.7144.5144.147.40000112.4
255P48.4Very low45.7Very low117 Ų117150.8 Ų150.876%0.7683%0.831SS**PPolyproline II helixtrans-87.7167.7-170.135.3-36.1000115.3
256P49.6Very low45.6Very low123 Ų123154.4 Ų154.480%0.79983%0.832SS**PPolyproline II helixtrans-78.8134.9-17130.3-34.7000114.6
257T54.8Low45.2Very low141 Ų141154.5 Ų154.587%0.86583%0.833SS**PPolyproline II helixtrans-76122.6175.8-57.60000111.7
258T51Low45.1Very low121 Ų121152.2 Ų152.274%0.74283%0.829SS**PPolyproline II helixtrans-85.2135.617353.80000111.1R260T258-R260 PolarHBondContact O-N 3.22Å
259L51.3Low45.2Very low180 Ų180148.9 Ų148.994%0.94282%0.821SS**PPolyproline II helixtrans-69.7122.5177.6-70.1165.4000111
260R55.6Low45.8Very low230 Ų230149.6 Ų149.687%0.86882%0.818SS**  trans-107.8108.8166.1-83.8-176.3166.8166.9-3.1110.7T258T258-R260 PolarHBondContact O-N 3.22Å
261R53.3Low45.3Very low247 Ų247148.8 Ų148.893%0.93282%0.815SS**  trans-72.4125.1157.6-89.2161.953.4-151.4-1.5108.3
262L45.1Very low45.1Very low162 Ų162151.6 Ų151.685%0.84882%0.818SS**  trans-131.297.3165.3-79.6170.1000109.9
263G41Very low44.8Very low79 Ų79149.5 Ų149.581%0.81481%0.808SS**  trans-87.2142.4142.600000108.1
264G40.5Very low45Very low57 Ų57145.4 Ų145.459%0.58880%0.802SS**  trans158.8116.2176.100000110.6
265K46Very low44.2Very low198 Ų198144.5 Ų144.586%0.86180%0.796SS**  trans-99.1124.5-168.5-43-159.3179.2-164.60109.8
266F42.7Very low43.5Very low192 Ų192144.4 Ų144.484%0.84280%0.798SS**  trans-148.7109.5167.5-40-82.9000111.6
267K37Very low42.7Very low211 Ų211144.1 Ų144.192%0.91780%0.799SS**  52.7124129.8-139.2152.6-177.4176.10121.8
268L37.2Very low41.6Very low154 Ų154142.8 Ų142.881%0.80680%0.796SS**  trans-60.7161.6164.4-57.2164.9000112
269L41.5Very low40.8Very low146 Ų146143.7 Ų143.776%0.76480%0.801SS**  cis-175.2-162.946.5-151.287.1000108
270P52.3Low40.1Very low104 Ų104140.3 Ų140.368%0.67579%0.793SS**  -127.6-174.8-104.944.9-26.6000117.4
271S35.2Very low40.1Very low105 Ų105134.7 Ų134.773%0.73479%0.786SS**  trans66.3143.5157.5-129.80000116.7
272D32.5Very low40Very low151 Ų151128.5 Ų128.581%0.80778%0.778SS**  cis-162.2166.632.7-131.1-64.1000110.5
273A35.1Very low39.5Very low81 Ų81128.8 Ų128.867%0.66978%0.78SS**  trans-80.7-172.5171.300000110.7
274P50.2Low39.2Very low116 Ų116128.7 Ų128.775%0.75378%0.779SS**  cis-146.2-175.316.635.3-9.5000118.1
275T28.9Very low39.5Very low120 Ų120134.3 Ų134.374%0.73680%0.795SS**  trans113.996.7143.1-36.80000119.6
276S32Very low40.1Very low114 Ų114130.2 Ų130.280%0.79779%0.788SS**  36.6126.2127.5-49.70000124.4
277S33.7Very low40.9Very low118 Ų118127.3 Ų127.383%0.82579%0.789SS**  -160.4100.6122.548.10000109
278S30.7Very low41.6Very low112 Ų112121.7 Ų121.778%0.78378%0.781SS**  54.1103.1101.8-162.10000116.2
279T34.6Very low42.2Very low141 Ų141124.5 Ų124.587%0.86579%0.787SS**  -166.1124.6120.2-63.50000108.5
280S37.5Very low43Very low108 Ų108125.3 Ų125.376%0.75579%0.791SS**  trans-101169.6-174.3-450000112.3
281P55.8Low43.5Very low113 Ų113125 Ų12573%0.73479%0.791SS**  trans-105.2-159.9-151.241.1-34.4000114.7
282P50.9Low44.4Very low116 Ų116126.6 Ų126.675%0.75380%0.796SS**  -145.6158.2103.134.9-17.1000118
283N34.5Very low45.5Very low168 Ų168126.8 Ų126.890%0.89880%0.796SS**  trans88111.3155.4-76.1-7.6000121.6
284G34.9Very low46.6Very low77 Ų77132.1 Ų132.179%0.79481%0.807SS**  trans146.983155.500000114.7
285L46.5Very low47Very low176 Ų176137.4 Ų137.492%0.92181%0.812SS**PPolyproline II helixtrans-54.2140.1176.9-76.1148.9000114.2
286P58.3Low48Very low111 Ų111138.8 Ų138.872%0.72181%0.814SS**PPolyproline II helixtrans-95.1144.616434.6-30.5000112.2
287P59.9Low48.4Very low132 Ų132136.9 Ų136.986%0.85781%0.813SS**PPolyproline II helixtrans-73.4131176.127.8-31.9000112.3
288A51.1Low49.4Very low92 Ų92140.4 Ų140.476%0.7681%0.813SS**PPolyproline II helixtrans-74.3149.6179.600000113.1I290A288-I290 PolarHBondContact O-N 3.31Å
289K50.6Low50.2Low213 Ų213140.8 Ų140.893%0.92681%0.813SS**  trans-65.3113.2178.3-62.4169-179.5172.80110.4
290I58.6Low51Low164 Ų164140.3 Ų140.384%0.84181%0.813SS**  trans-76.3121.317338.7168.9000110.9A288A288-I290 PolarHBondContact O-N 3.31Å
291S61.5Low50.9Low96 Ų96139.3 Ų139.367%0.67181%0.811SS**  trans-83137.7178.5175.40000111.5L293S291-L293 PolarHBondContact O-N 3.43Å
292V54.4Low49.9Very low139 Ų139141 Ų14184%0.84282%0.819SS**G310 helixtrans-66.80.7-174.5176.30000113.7
293L55.7Low49.2Very low156 Ų156139.1 Ų139.182%0.81782%0.821SS**G310 helixtrans-85.7-13.2179.8-134.171.5000114.6S291 R295S291-L293 PolarHBondContact O-N 3.43Å; L293-R295 VanDerWaalsContact C-N 3.35Å
294Q58.5Low49.1Very low193 Ų193136.1 Ų136.190%0.90282%0.82SS**G310 helixtrans-97.420.2-177.3-143.9166.120.100113.6
295R57.5Low48.9Very low226 Ų226137.3 Ų137.385%0.85382%0.822SS**  trans-119.134.9175.1-162.6-177.2-76.5-145.1-4111.7L293L293-R295 VanDerWaalsContact C-N 3.35Å
296L50.2Low48.3Very low149 Ų149133.8 Ų133.878%0.7882%0.818SS**  trans-129.585.2173.5-154.572.5000109.9
297G41.5Very low47.3Very low75 Ų75135 Ų13577%0.77382%0.824SS**PPolyproline II helixtrans-67.3137.6167.900000110.7
298K54.2Low46.7Very low192 Ų192134.7 Ų134.784%0.83582%0.822SS**PPolyproline II helixtrans-77.2148.2173.7-83.575.5159.4-175.80110.7
299P48Very low45.9Very low119 Ų119135.1 Ų135.177%0.77383%0.825SS**PPolyproline II helixtrans-90.4152.8177.235.9-33.1000112.5
300P49.9Very low45Very low132 Ų132130.9 Ų130.986%0.85782%0.823SS**PPolyproline II helixtrans-101137.4158.933-27000112.1
301A35.8Very low44.1Very low87 Ų87127.5 Ų127.572%0.71982%0.819SS**PPolyproline II helixtrans-100.7141.5175.600000111.5
302T35.7Very low42.7Very low147 Ų147130.1 Ų130.190%0.90283%0.825SS**  trans53126.5142.5550000122
303G35Very low42.2Very low78 Ų78128.4 Ų128.480%0.80482%0.815SS**  trans147.188.2139.800000119.4
304A33.6Very low41.6Very low105 Ų105128.7 Ų128.787%0.86881%0.813SS**  trans41.9133.1139.400000125.2
305A30.4Very low40.8Very low102 Ų102125.7 Ų125.784%0.84380%0.803SS**  trans99133.7132.100000121.9
306A34.5Very low40.7Very low101 Ų101122.9 Ų122.984%0.83581%0.805SS**  trans99103.9155.300000120.4
307T35.8Very low40.2Very low137 Ų137125.2 Ų125.284%0.8480%0.803SS**  trans-67.8167.4146.827.20000111.8
308P48.5Very low40Very low126 Ų126128.6 Ų128.682%0.81881%0.808SS**  cis-133.9178.737.132-7.4000113.7
309A33Very low39.6Very low101 Ų101123.3 Ų123.384%0.83579%0.792SS**  cis-169.1173.649.800000113.1
310S33.2Very low39.2Very low124 Ų124122.6 Ų122.687%0.86779%0.79SS**  trans-75.7158-158.1-46.70000120.8
311A38.2Very low39Very low92 Ų92122.5 Ų122.576%0.7679%0.787SS**  -171.8116.512600000108.7
312D34Very low39.1Very low151 Ų151129.6 Ų129.681%0.80780%0.796SS**  67.6122.7105.2-124.6-96.4000112.5
313T42.6Very low39.2Very low103 Ų103127.3 Ų127.363%0.63279%0.785SS**  cis-173.4137.743.3-49.80000109.5
314Q44.5Very low39.3Very low163 Ų163135.1 Ų135.176%0.76279%0.791SS**  trans63.8111157.6-58.1-160-14.800121.8
315D41.7Very low39.3Very low129 Ų129134 Ų13469%0.6978%0.781SS**  77.4101.858.898.3-101.7000115.8
316N54.9Low39.7Very low168 Ų168136.3 Ų136.390%0.89878%0.778SS**  trans-146105.5144.9-149.8-7.3000108.7
317R39.1Very low39.7Very low198 Ų198139.3 Ų139.375%0.74778%0.775SS**  trans-110.1123.1-167.6175.7-175.6-172.9-147.70.3108.3T319R317-T319 HydrophobicContact CG-CG2 3.61Å
318V38.4Very low39.9Very low146 Ų146141.7 Ų141.789%0.88577%0.774SS**  trans-124.7115.7151.9-176.90000108
319T45.5Very low39.4Very low80 Ų80141.2 Ų141.249%0.49177%0.773SS.*  trans-107.1144.4176.560.80000109.7R317R317-T319 HydrophobicContact CG-CG2 3.61Å
320S39.2Very low39.5Very low105 Ų105142 Ų14273%0.73477%0.768SS**  trans156.1136.1139.152.20000108.3
321T45.3Very low39.8Very low130 Ų130142.4 Ų142.480%0.79877%0.765SS**  cis-174132.77.518.90000107
322R38.1Very low39.4Very low236 Ų236142.8 Ų142.889%0.89177%0.769SS**  trans23.6131134.1-140.8-173.5-178.6-162.2-0117.9
323S38.2Very low39.9Very low98 Ų98141 Ų14169%0.68577%0.768SS**  178.9127.972.3-58.40000109.6
324R36.9Very low39.7Very low243 Ų243142.5 Ų142.592%0.91778%0.783SS**  84.7114.199.4-164.1173.1-156.2-126.95.6117.3
325A32.8Very low39.1Very low80 Ų80143.8 Ų143.866%0.66179%0.786SS**  trans59.8127.9138.800000123.6
326L39.8Very low38.8Very low151 Ų151143.8 Ų143.879%0.79179%0.79SS**  50.7120.3125-161.574.9000118.5
327E33.3Very low37.8Very low165 Ų165140.2 Ų140.277%0.77178%0.778SS**  -177.3152.9122.6-99.7-70.6149.900110.7
328K41.4Very low37.7Very low186 Ų186142.1 Ų142.181%0.80979%0.785SS**  trans-129.2115.1-159.9178.3178.6-176.2-179.60105.2
329S38.2Very low37.6Very low116 Ų116140.1 Ų140.181%0.81178%0.778SS**  trans-150.6108.5173.854.60000113.3
330T35Very low37.2Very low119 Ų119144 Ų14473%0.7380%0.796SS**  trans-61.8147.5157.7450000112.4
331T38Very low37.2Very low131 Ų131144.1 Ų144.180%0.80480%0.797SS**  trans45122.114261.50000120.1
332A30.9Very low37.2Very low100 Ų100144.1 Ų144.183%0.82680%0.799SS**  -179134.3123.800000113.4
333S44Very low36.9Very low115 Ų115136.9 Ų136.980%0.80480%0.798SS**  trans-4.4145.9152.5-49.20000121
334S37.5Very low36.6Very low133 Ų133136 Ų13693%0.9381%0.805SS**  trans-142.2126.4144.1-78.80000110.6
335K33Very low36.6Very low190 Ų190128.4 Ų128.483%0.82680%0.801SS**  trans-110.7162.2177.6177.8175.5179.8169.20107.8
336V34.8Very low36.9Very low129 Ų129128 Ų12878%0.78281%0.805SS**  trans103.8133.9166.9177.10000111.7
337S35Very low36.9Very low93 Ų93129.9 Ų129.965%0.6581%0.81SS**  cis173.1162.8-23.5-1030000105.1
338R36.6Very low37.5Very low238 Ų238127.7 Ų127.790%0.89881%0.813SS**  trans93.8137.6163.1-53.2-178.7-175.1-168.9-0.3115
339S36.6Very low37.9Very low104 Ų104123.9 Ų123.973%0.72782%0.816SS**  cis176.3124-21440000105.6
340N37.3Very low38.1Very low161 Ų161121.7 Ų121.786%0.86181%0.812SS**  trans-176.1123.2132.6-13534.8000110.5
341S39.4Very low38.7Very low108 Ų108120.9 Ų120.976%0.75582%0.817SS**  trans-116.2159.2162.5-55.20000107.4
342P45.3Very low39.2Very low130 Ų130124.4 Ų124.484%0.84482%0.821SS**  -146.8156.579.534.6-15000116
343G32Very low40.2Very low85 Ų85128.2 Ų128.288%0.87682%0.824SS**  trans99.3123.3162.200000113.6
344G31.7Very low40.7Very low80 Ų80128.9 Ų128.983%0.82582%0.819SS**  cis164.41403.700000106.8
345G35.3Very low41.8Very low82 Ų82129.3 Ų129.385%0.84582%0.816SS**  trans108.1109.9160.400000117.4
346G40.2Very low42.9Very low72 Ų72127.7 Ų127.774%0.74281%0.809SS**  84.488.3126.700000117.8
347E39.6Very low44.2Very low190 Ų190126.6 Ų126.689%0.88881%0.813SS**  trans-44.2135.115960.9-150.695.200114.6
348S46.5Very low45.4Very low119 Ų119128.5 Ų128.583%0.83282%0.82SS**  trans-134.9100.5155-69.10000106.7G350S348-G350 PolarHBondContact O-N 3.4Å
349A49.9Very low46.6Very low106 Ų106120.5 Ų120.588%0.87680%0.801SS**  trans-61.599.5175.700000109.3A351A349-A351 PolarHBondContact O-N 3.37Å
350G41.4Very low47.6Very low70 Ų70121.6 Ų121.672%0.72280%0.803SS**  trans-62.5116.4170.200000109.9S348 K352S348-G350 PolarHBondContact O-N 3.4Å; G350-K352 PolarHBondContact O-N 3.48Å
351A47.4Very low48.5Very low103 Ų103122.5 Ų122.585%0.85180%0.8SS**  trans-62.2106.4173.900000109.9A349 M353A349-A351 PolarHBondContact O-N 3.37Å; A351-M353 PolarHBondContact O-N 3.38Å
352K49.6Very low49.4Very low204 Ų204126.7 Ų126.789%0.88780%0.804SS**  trans-74.6106.7165.8-81.3-169.5172.7-1780108.5G350 D354G350-K352 PolarHBondContact O-N 3.48Å; K352-D354 PolarHBondContact O-N 3.04Å
353M51.9Low50.1Low180 Ų180131.9 Ų131.989%0.88781%0.807SS**  trans-78.5100.8172-152170.9-177.500108A351 V355A351-M353 PolarHBondContact O-N 3.38Å; M353-V355 PolarHBondContact O-N 3.05Å
354D54.6Low51.4Low129 Ų129134.9 Ų134.969%0.6980%0.802SS**  trans-73.2109.4177.5-14915.4000108.1K352 K356K352-D354 PolarHBondContact O-N 3.04Å; D354-K356 PolarHBondContact O-N 3.12Å
355V59.3Low52.4Low142 Ų142134.6 Ų134.686%0.86180%0.799SS**  trans-77.469.1179.1-171.30000109M353M353-V355 PolarHBondContact O-N 3.05Å
356K56.5Low53.5Low157 Ų157136 Ų13668%0.68380%0.796SS**  trans-109122.9162.1-91.3173.5-179.8136.60107.7D354 V358D354-K356 PolarHBondContact O-N 3.12Å; K356-V358 PolarHBondContact O-N 2.94Å
357A63Low54.3Low106 Ų106142.5 Ų142.588%0.87680%0.804SS**  trans-54.6102.1173.600000109.5S359A357-S359 PolarHBondContact O-N 3Å
358V59.3Low55.3Low132 Ų132142 Ų14280%0.880%0.799SS**  trans-74.196.8175.9-179.60000106.9K356 V360K356-V358 PolarHBondContact O-N 2.94Å; V358-V360 PolarHBondContact O-N 3.04Å; V358-V360 VanDerWaalsContact O-N 3.09Å
359S61.3Low56.1Low71 Ų71145.9 Ų145.950%0.49782%0.821SS.*  trans-62.1110.4170.3179.40000109.1A357 F361 K362A357-S359 PolarHBondContact O-N 3Å; S359-F361 PolarHBondContact O-N 3.47Å; S359-K362 PolarHBondContact O-N 2.96Å; S359-K362 VanDerWaalsContact O-N 3.13Å
360V57.2Low56.4Low127 Ų127147.9 Ų147.977%0.7782%0.819SS**G310 helixtrans-53.3-16.1175.5-92.80000113.5V358 K362 R363V358-V360 PolarHBondContact O-N 3.04Å; V358-V360 VanDerWaalsContact O-N 3.09Å; V360-K362 VanDerWaalsContact C-N 3.28Å; V360-K362 PolarHBondContact O-N 3.19Å; V360-R363 PolarHBondContact O-N 2.69Å
361F56.4Low57.2Low180 Ų180152 Ų15279%0.78982%0.824SS**G310 helixtrans-71.9-15.9178.3-124.1-91.3000114.5S359 R363S359-F361 PolarHBondContact O-N 3.47Å; F361-R363 VanDerWaalsContact C-N 3.34Å
362K59.4Low57.7Low196 Ų196154.7 Ų154.785%0.85282%0.822SS**G310 helixtrans-82.5-9.1178.4-64-168.873.9165.80114S359 V360S359-K362 PolarHBondContact O-N 2.96Å; S359-K362 VanDerWaalsContact O-N 3.13Å; V360-K362 VanDerWaalsContact C-N 3.28Å; V360-K362 PolarHBondContact O-N 3.19Å
363R59.3Low58.2Low238 Ų238151.8 Ų151.890%0.89882%0.818SS**SBendtrans-97.4-11.4-178.1-154.1173.6-166.1-139.62.1114.2V360 F361V360-R363 PolarHBondContact O-N 2.69Å; F361-R363 VanDerWaalsContact C-N 3.34Å
364L59Low58.6Low149 Ų149150.1 Ų150.178%0.7881%0.814SS**SBendtrans-97.9100.8170.7-89148.7000108S366L364-S366 PolarHBondContact O-N 3.33Å
365G53.8Low58.9Low73 Ų73151.5 Ų151.575%0.75382%0.822SS**  trans-50129.7177.100000111.1K367G365-K367 PolarHBondContact O-N 3.11Å
366S57.7Low58.8Low113 Ų113152.1 Ų152.179%0.7982%0.82SS**  trans-62104.2174.345.80000109.8L364 K368L364-S366 PolarHBondContact O-N 3.33Å; S366-K368 PolarHBondContact O-N 3.47Å
367K56.8Low59Low207 Ų207151.8 Ų151.890%0.983%0.83SS**  trans-72.5109166.2-167.3175.6179.8176.50107.4G365G365-K367 PolarHBondContact O-N 3.11Å
368K60.5Low58.7Low180 Ų180155.6 Ų155.678%0.78383%0.826SS**  trans-67.2154.2175.2-86.8174.7176.1171.20110.8S366S366-K368 PolarHBondContact O-N 3.47Å
369P63.5Low58.6Low201 Ų201157.7 Ų157.7100%1.30583%0.829SS**  trans-64.20-173.827.9-36.4000113.9

Retrieved 369 of 369 residues in 486.7 ms (Link to these results)

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