A0A3Q0KMA5_SCHMA Loading...

Putative serine-rich repeat protein

AlphaFold DB , UniProt , Accession A0A3Q0KMA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 695 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
1M42Very low62.3Low196 Ų19688.9 Ų88.997%0.96648%0.477SS*.  016.40-109.6-177.8-71.200112.4A3M1-A3 PolarHBondContact O-N 3.17Å
2E42.1Very low63.7Low168 Ų16890.3 Ų90.379%0.78548%0.484SS*.THydrogen-bonded Turntrans-72.6-9.9-160.9-5468.7-140.800113.6L4 R93E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.24Å; E2-R93 PolarHBondContact O-NH2 2.67Å
3A53Low65Low77 Ų7788.2 Ų88.264%0.63647%0.468SS*.THydrogen-bonded Turntrans-69.2-20.9-178.100000113.8M1 R93M1-A3 PolarHBondContact O-N 3.17Å; A3-R93 PolarHBondContact O-NH2 2.9Å
4L59.1Low66.4Low34 Ų3481.9 Ų81.918%0.17844%0.435CS..  trans-133.5107.4170.9-66.5173.8000109.8E2 L6 F69E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 3.24Å; L4-L6 HydrophobicContact CB-CD2 4.23Å; L4-L6 HydrophobicContact CB-CG 4.15Å; L4-L6 PolarHBondContact O-N 3.2Å; L4-F69 HydrophobicContact CD1-CB 3.96Å
5K59.5Low67.6Low123 Ų12382 Ų8254%0.53543%0.43SS..  trans-71.6116155.3-76.1-176.1179.3-176.80106.6E94K5-E94 WeakPolarHBondContact CD-OE1 3.39Å; K5-E94 WeakPolarHBondContact CE-OE1 3.3Å; K5-E94 IonicContact NZ-OE1 2.64Å; K5-E94 PolarHBondContact NZ-OE1 3.28Å
6L66.1Low68.5Low40 Ų4081.8 Ų81.821%0.20944%0.438CS..  trans-111142.4172.7-61.8176.7000107.9L4 E10 V11 Y14 F69 K73L4-L6 HydrophobicContact CB-CD2 4.23Å; L4-L6 HydrophobicContact CB-CG 4.15Å; L4-L6 PolarHBondContact O-N 3.2Å; L6-E10 WeakPolarHBondContact CA-OE2 3.35Å; L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.45Å; L6-V11 HydrophobicContact CB-CG2 3.68Å; L6-V11 HydrophobicContact CD1-CG2 4.28Å; L6-Y14 HydrophobicContact CD1-CD2 3.91Å; L6-Y14 HydrophobicContact CD1-CE2 4.36Å; L6-Y14 HydrophobicContact CD2-CD2 4.03Å; L6-Y14 HydrophobicContact CD2-CE2 3.61Å; L6-F69 HydrophobicContact CD1-CD2 4.12Å; L6-K73 HydrophobicContact CD2-CD 4.43Å
7S70.1Confident69.4Low52 Ų5277.2 Ų77.236%0.36441%0.414SS..  trans-69.9161.7168.471.70000110.5S9 E10 V11S7-S9 PolarHBondContact O-N 3.21Å; S7-S9 PolarHBondContact OG-OG 2.99Å; S7-E10 PolarHBondContact N-OE2 2.98Å; S7-E10 PolarHBondContact O-N 3.43Å; S7-E10 VanDerWaalsContact O-N 3.11Å; S7-E10 WeakPolarHBondContact OG-CB 3.37Å; S7-E10 WeakPolarHBondContact OG-CG 3.37Å; S7-E10 PolarHBondContact OG-N 3.43Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.19Å
8E69.9Low70.2Confident158 Ų15873 Ų7374%0.73839%0.391SS*.Hα-helixtrans-59-35.3175.9-172.6171.4-171.900112.6V11 N12E8-V11 PolarHBondContact O-N 2.9Å; E8-N12 PolarHBondContact O-N 2.9Å; E8-N12 PolarHBondContact O-ND2 3.37Å
9S70.6Confident70.9Confident69 Ų6974.9 Ų74.948%0.48340%0.401SS..Hα-helixtrans-68.8-39.8173.151.20000113.2S7 F13S7-S9 PolarHBondContact O-N 3.21Å; S7-S9 PolarHBondContact OG-OG 2.99Å; S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 3.17Å; S9-F13 VanDerWaalsContact O-N 3.1Å
10E75.5Confident71.3Confident11 Ų1174.3 Ų74.35%0.05140%0.403CS..Hα-helixtrans-64.7-42.6171.7-75.5-175.5141.800111.6L6 S7 F13 Y14 K73 L98L6-E10 WeakPolarHBondContact CA-OE2 3.35Å; L6-E10 HydrophobicContact CB-CB 4.18Å; L6-E10 HydrophobicContact CD2-CB 4.45Å; S7-E10 PolarHBondContact N-OE2 2.98Å; S7-E10 PolarHBondContact O-N 3.43Å; S7-E10 VanDerWaalsContact O-N 3.11Å; S7-E10 WeakPolarHBondContact OG-CB 3.37Å; S7-E10 WeakPolarHBondContact OG-CG 3.37Å; S7-E10 PolarHBondContact OG-N 3.43Å; E10-F13 PolarHBondContact O-N 2.84Å; E10-Y14 HydrophobicContact CB-CE1 4.47Å; E10-Y14 WeakPolarHBondContact O-CB 3.37Å; E10-Y14 VanDerWaalsContact O-CD1 3.26Å; E10-Y14 WeakPolarHBondContact O-CD1 3.3Å; E10-Y14 PolarHBondContact O-N 2.96Å; E10-K73 IonicContact OE1-NZ 2.78Å; E10-K73 PolarHBondContact OE1-NZ 3.45Å; E10-K73 IonicContact OE2-NZ 2.72Å; E10-K73 PolarHBondContact OE2-NZ 3.38Å; E10-L98 HydrophobicContact CG-CD2 4.19Å
11V77.5Confident71.6Confident50 Ų5071.3 Ų71.330%0.30339%0.388SS..Hα-helixtrans-56.4-56.2176.3167.30000110.1L6 S7 E8 F13 Y14 F15L6-V11 HydrophobicContact CB-CG2 3.68Å; L6-V11 HydrophobicContact CD1-CG2 4.28Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.19Å; E8-V11 PolarHBondContact O-N 2.9Å; V11-F13 VanDerWaalsContact C-N 3.32Å; V11-F13 PolarHBondContact O-N 2.93Å; V11-Y14 PolarHBondContact O-N 3.39Å; V11-F15 HydrophobicContact CG1-CD2 3.8Å; V11-F15 HydrophobicContact CG1-CE2 4.01Å; V11-F15 WeakPolarHBondContact O-CD2 3.3Å; V11-F15 PolarHBondContact O-N 3.11Å
12N78.7Confident73.5Confident105 Ų10562.7 Ų62.756%0.56135%0.346SS*.Hα-helixtrans-61.3-40.5-177.1-71.6-28.1000112.2E8 S16E8-N12 PolarHBondContact O-N 2.9Å; E8-N12 PolarHBondContact O-ND2 3.37Å; N12-S16 VanDerWaalsContact O-CB 3.31Å; N12-S16 WeakPolarHBondContact O-CB 3.42Å; N12-S16 PolarHBondContact O-N 3.23Å; N12-S16 VanDerWaalsContact O-N 3.15Å
13F81.2Confident74.9Confident64 Ų6460.9 Ų60.928%0.28135%0.346SS..Hα-helixtrans-68-44.2175.5-177.3-112.6000112.7S9 E10 V11 S16 A17 F41 L98 P99S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 3.17Å; S9-F13 VanDerWaalsContact O-N 3.1Å; E10-F13 PolarHBondContact O-N 2.84Å; V11-F13 VanDerWaalsContact C-N 3.32Å; V11-F13 PolarHBondContact O-N 2.93Å; F13-S16 PolarHBondContact O-N 3.32Å; F13-A17 VanDerWaalsContact O-CB 3.28Å; F13-A17 WeakPolarHBondContact O-CB 3.28Å; F13-A17 PolarHBondContact O-N 3.25Å; F13-F41 HydrophobicContact CE1-CE1 4.43Å; F13-F41 HydrophobicContact CZ-CE1 4.12Å; F13-F41 HydrophobicContact CZ-CZ 4.29Å; F13-L98 HydrophobicContact CB-CD2 4.03Å; F13-L98 HydrophobicContact CD1-CD2 4.14Å; F13-L98 HydrophobicContact CG-CD2 4.25Å; F13-P99 HydrophobicContact CE1-CB 3.97Å; F13-P99 HydrophobicContact CE1-CG 4.14Å
14Y84.9Confident75.5Confident0 Ų065.6 Ų65.60%036%0.355CS..Hα-helixtrans-70.6-36-176.7-72.511.1000112.3L6 E10 V11 F18 F69 L72 K73 P99L6-Y14 HydrophobicContact CD1-CD2 3.91Å; L6-Y14 HydrophobicContact CD1-CE2 4.36Å; L6-Y14 HydrophobicContact CD2-CD2 4.03Å; L6-Y14 HydrophobicContact CD2-CE2 3.61Å; E10-Y14 HydrophobicContact CB-CE1 4.47Å; E10-Y14 WeakPolarHBondContact O-CB 3.37Å; E10-Y14 VanDerWaalsContact O-CD1 3.26Å; E10-Y14 WeakPolarHBondContact O-CD1 3.3Å; E10-Y14 PolarHBondContact O-N 2.96Å; V11-Y14 PolarHBondContact O-N 3.39Å; Y14-F18 WeakPolarHBondContact O-CB 3.47Å; Y14-F18 PolarHBondContact O-N 3.09Å; Y14-F69 HydrophobicContact CD2-CB 3.89Å; Y14-F69 HydrophobicContact CD2-CD1 4.13Å; Y14-F69 HydrophobicContact CD2-CG 4.05Å; Y14-F69 HydrophobicContact CE2-CB 4.42Å; Y14-F69 HydrophobicContact CG-CD1 4.32Å; Y14-F69 WeakPolarHBondContact O-CE1 3.47Å; Y14-L72 HydrophobicContact CD1-CB 4.04Å; Y14-L72 HydrophobicContact CD1-CD1 3.55Å; Y14-L72 HydrophobicContact CD1-CG 4.45Å; Y14-L72 HydrophobicContact CD2-CB 4.36Å; Y14-L72 HydrophobicContact CD2-CD1 4.36Å; Y14-L72 HydrophobicContact CE1-CB 3.73Å; Y14-L72 HydrophobicContact CE1-CD1 4.11Å; Y14-L72 HydrophobicContact CE2-CB 4.04Å; Y14-L72 HydrophobicContact CG-CB 4.36Å; Y14-L72 HydrophobicContact CG-CD1 3.71Å; Y14-K73 WeakPolarHBondContact OH-CD 3.5Å; Y14-P99 HydrophobicContact CE1-CG 4.23Å
15F83.5Confident76Confident83 Ų8371 Ų7136%0.36438%0.377SS..Hα-helixtrans-67.6-46.4172.2-88.4-85.6000111.6V11 A17 F18 D19 F69V11-F15 HydrophobicContact CG1-CD2 3.8Å; V11-F15 HydrophobicContact CG1-CE2 4.01Å; V11-F15 WeakPolarHBondContact O-CD2 3.3Å; V11-F15 PolarHBondContact O-N 3.11Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 3.31Å; F15-F18 PolarHBondContact O-N 3.12Å; F15-F18 VanDerWaalsContact O-N 3.13Å; F15-D19 PolarHBondContact O-N 3.39Å; F15-F69 HydrophobicContact CD1-CZ 4.3Å; F15-F69 HydrophobicContact CD2-CE2 4.41Å; F15-F69 AromaticContact CD2-CZ 3.9Å; F15-F69 HydrophobicContact CD2-CZ 3.9Å; F15-F69 HydrophobicContact CE1-CZ 4.21Å; F15-F69 AromaticContact CE2-CE2 3.93Å; F15-F69 HydrophobicContact CE2-CE2 3.93Å; F15-F69 AromaticContact CE2-CZ 3.8Å; F15-F69 HydrophobicContact CE2-CZ 3.8Å; F15-F69 HydrophobicContact CG-CZ 4.17Å; F15-F69 HydrophobicContact CZ-CE2 4.14Å; F15-F69 AromaticContact CZ-CZ 3.97Å; F15-F69 HydrophobicContact CZ-CZ 3.97Å
16S82Confident76.3Confident79 Ų7967.7 Ų67.755%0.55237%0.369SS*.Hα-helixtrans-57.8-42.8174.5-175.80000112.1N12 F13 D19 S20N12-S16 VanDerWaalsContact O-CB 3.31Å; N12-S16 WeakPolarHBondContact O-CB 3.42Å; N12-S16 PolarHBondContact O-N 3.23Å; N12-S16 VanDerWaalsContact O-N 3.15Å; F13-S16 PolarHBondContact O-N 3.32Å; S16-D19 PolarHBondContact O-N 2.9Å; S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.86Å
17A83.5Confident76.6Confident4 Ų466.9 Ų66.93%0.03337%0.371CS..Hα-helixtrans-60.1-44.7173.700000112.7F13 F15 S20 C21 F37 F68 L72F13-A17 VanDerWaalsContact O-CB 3.28Å; F13-A17 WeakPolarHBondContact O-CB 3.28Å; F13-A17 PolarHBondContact O-N 3.25Å; F15-A17 VanDerWaalsContact C-N 3.31Å; F15-A17 PolarHBondContact O-N 3.31Å; A17-S20 PolarHBondContact O-N 3.36Å; A17-S20 PolarHBondContact O-OG 3.2Å; A17-C21 PolarHBondContact O-N 2.89Å; A17-C21 PolarHBondContact O-SG 2.77Å; A17-F37 HydrophobicContact CB-CE1 3.76Å; A17-F37 HydrophobicContact CB-CZ 3.59Å; A17-F68 HydrophobicContact CB-CE1 3.94Å; A17-F68 HydrophobicContact CB-CZ 4.16Å; A17-L72 HydrophobicContact CB-CD1 3.97Å
18F84.6Confident77Confident1 Ų170.1 Ų70.10%0.00438%0.378CS..Hα-helixtrans-65-47178.3-174.9-86.1000111.7Y14 F15 S20 C21 D22 L29 R65 F68 F69Y14-F18 WeakPolarHBondContact O-CB 3.47Å; Y14-F18 PolarHBondContact O-N 3.09Å; F15-F18 PolarHBondContact O-N 3.12Å; F15-F18 VanDerWaalsContact O-N 3.13Å; F18-S20 VanDerWaalsContact C-N 3.26Å; F18-S20 PolarHBondContact O-N 2.82Å; F18-C21 WeakPolarHBondContact O-CA 3.43Å; F18-C21 WeakPolarHBondContact O-CB 3.42Å; F18-C21 PolarHBondContact O-N 3.37Å; F18-D22 HydrophobicContact CD1-CB 4.25Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.45Å; F18-D22 PolarHBondContact O-N 3.3Å; F18-L29 HydrophobicContact CD2-CD1 3.78Å; F18-L29 HydrophobicContact CD2-CG 4.39Å; F18-L29 HydrophobicContact CE2-CD1 3.7Å; F18-L29 HydrophobicContact CE2-CG 3.84Å; F18-L29 HydrophobicContact CZ-CD1 4.42Å; F18-L29 HydrophobicContact CZ-CG 4.14Å; F18-R65 HydrophobicContact CD1-CG 4.33Å; F18-R65 HydrophobicContact CD2-CG 4.11Å; F18-R65 HydrophobicContact CE1-CG 4.01Å; F18-R65 HydrophobicContact CE2-CB 4.35Å; F18-R65 HydrophobicContact CE2-CG 3.76Å; F18-R65 HydrophobicContact CG-CG 4.39Å; F18-R65 HydrophobicContact CZ-CG 3.72Å; F18-F68 HydrophobicContact CB-CD1 3.89Å; F18-F68 HydrophobicContact CB-CE1 3.78Å; F18-F68 HydrophobicContact CD2-CB 4.03Å; F18-F68 AromaticContact CD2-CD1 3.69Å; F18-F68 HydrophobicContact CD2-CD1 3.69Å; F18-F68 HydrophobicContact CD2-CE1 4.27Å; F18-F68 AromaticContact CD2-CG 3.88Å; F18-F68 HydrophobicContact CD2-CG 3.88Å; F18-F68 HydrophobicContact CE2-CB 4.41Å; F18-F68 HydrophobicContact CG-CD1 4.3Å; F18-F69 HydrophobicContact CB-CE1 4.26Å
19D82.9Confident77.4Confident109 Ų10962.7 Ų62.758%0.58334%0.343SS*.Hα-helixtrans-66.1-28.9179.6-75.4-1000112.1F15 S16 C21F15-D19 PolarHBondContact O-N 3.39Å; S16-D19 PolarHBondContact O-N 2.9Å; D19-C21 PolarHBondContact O-N 3.42Å
20S79.1Confident77.9Confident62 Ų6262.8 Ų62.843%0.43434%0.342SS..Hα-helixtrans-68.8-18.7171.283.50000113.9S16 A17 F18 F37S16-S20 WeakPolarHBondContact O-CB 3.38Å; S16-S20 PolarHBondContact O-N 2.86Å; A17-S20 PolarHBondContact O-N 3.36Å; A17-S20 PolarHBondContact O-OG 3.2Å; F18-S20 VanDerWaalsContact C-N 3.26Å; F18-S20 PolarHBondContact O-N 2.82Å; S20-F37 VanDerWaalsContact OG-CE2 3.31Å; S20-F37 WeakPolarHBondContact OG-CE2 3.4Å
21C78.3Confident78.2Confident12 Ų1263.7 Ų63.78%0.08135%0.349CS..Hα-helixtrans-96.9-36.6176.2-61.60000112.4A17 F18 D19 V23 L29 F37A17-C21 PolarHBondContact O-N 2.89Å; A17-C21 PolarHBondContact O-SG 2.77Å; F18-C21 WeakPolarHBondContact O-CA 3.43Å; F18-C21 WeakPolarHBondContact O-CB 3.42Å; F18-C21 PolarHBondContact O-N 3.37Å; D19-C21 PolarHBondContact O-N 3.42Å; C21-V23 PolarHBondContact O-N 3.43Å; C21-L29 VanDerWaalsContact C-CD2 3.46Å; C21-L29 HydrophobicContact CB-CD1 3.6Å; C21-L29 HydrophobicContact CB-CD2 3.56Å; C21-L29 HydrophobicContact CB-CG 4.24Å; C21-F37 WeakPolarHBondContact SG-CD2 3.24Å; C21-F37 WeakPolarHBondContact SG-CG 3.47Å
22D80.5Confident78.4Confident16 Ų1665.3 Ų65.39%0.08635%0.353CS..  trans-84.159.2-173.5-165.114.4000112.7F18 E24 K25 S26 G27 L29F18-D22 HydrophobicContact CD1-CB 4.25Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.45Å; F18-D22 PolarHBondContact O-N 3.3Å; D22-E24 PolarHBondContact O-N 2.97Å; D22-E24 VanDerWaalsContact O-N 3.07Å; D22-K25 PolarHBondContact O-N 2.87Å; D22-K25 PolarHBondContact OD1-N 3.36Å; D22-K25 WeakPolarHBondContact OD2-CA 3.38Å; D22-S26 VanDerWaalsContact CG-N 3.3Å; D22-S26 WeakPolarHBondContact OD1-CB 3.48Å; D22-S26 PolarHBondContact OD1-N 3.27Å; D22-S26 PolarHBondContact OD1-OG 2.72Å; D22-S26 PolarHBondContact OD2-N 2.75Å; D22-G27 WeakPolarHBondContact OD2-CA 3.11Å; D22-G27 PolarHBondContact OD2-N 2.89Å; D22-L29 HydrophobicContact CB-CD2 3.74Å
23V72.1Confident78.6Confident130 Ų13062.1 Ų62.179%0.78834%0.339SS*.THydrogen-bonded Turntrans-54.6-28.3179.2-177.80000112.3C21C21-V23 PolarHBondContact O-N 3.43Å
24E65.1Low78.8Confident175 Ų17559.1 Ų59.182%0.81833%0.326SS*.THydrogen-bonded Turntrans-87.9-6.9179.1-59.6-166.3164.100113.9D22 S26D22-E24 PolarHBondContact O-N 2.97Å; D22-E24 VanDerWaalsContact O-N 3.07Å; E24-S26 PolarHBondContact O-N 3.4Å
25K70.3Confident78.8Confident147 Ų14763 Ų6364%0.63934%0.34SS*.  trans50.540.1-168.9-60.3-167.4174.7-163.60112.5D22D22-K25 PolarHBondContact O-N 2.87Å; D22-K25 PolarHBondContact OD1-N 3.36Å; D22-K25 WeakPolarHBondContact OD2-CA 3.38Å
26S66Low78.7Confident54 Ų5464.9 Ų64.938%0.37835%0.348SS..  trans-78-20.6-175.567.10000114D22 E24 K28D22-S26 VanDerWaalsContact CG-N 3.3Å; D22-S26 WeakPolarHBondContact OD1-CB 3.48Å; D22-S26 PolarHBondContact OD1-N 3.27Å; D22-S26 PolarHBondContact OD1-OG 2.72Å; D22-S26 PolarHBondContact OD2-N 2.75Å; E24-S26 PolarHBondContact O-N 3.4Å; S26-K28 PolarHBondContact O-N 3.02Å; S26-K28 PolarHBondContact OG-N 3.25Å; S26-K28 PolarHBondContact OG-O 3.25Å
27G72.9Confident78.9Confident24 Ų2461.6 Ų61.625%0.24732%0.324CS..SBendtrans669.2-165.700000114.2D22D22-G27 WeakPolarHBondContact OD2-CA 3.11Å; D22-G27 PolarHBondContact OD2-N 2.89Å
28K77.6Confident78.9Confident120 Ų12061.5 Ų61.552%0.52232%0.323SS..  trans-150.289.3-162.3-79.6-168.6-178.9-177.30112.1S26 L62 W63S26-K28 PolarHBondContact O-N 3.02Å; S26-K28 PolarHBondContact OG-N 3.25Å; S26-K28 PolarHBondContact OG-O 3.25Å; K28-L62 HydrophobicContact CB-CB 4.03Å; K28-L62 HydrophobicContact CB-CD1 4.27Å; K28-L62 HydrophobicContact CB-CD2 4.5Å; K28-L62 HydrophobicContact CD-CB 4.2Å; K28-L62 HydrophobicContact CD-CD1 3.92Å; K28-L62 HydrophobicContact CG-CB 4.35Å; K28-W63 WeakPolarHBondContact CA-O 3.31Å
29L78.9Confident78.8Confident1 Ų164.2 Ų64.21%0.00534%0.342CS..BIsolated β-bridgetrans-73.6138-178.2-58.5174.9000111.9F18 C21 D22 V34 W63 F68F18-L29 HydrophobicContact CD2-CD1 3.78Å; F18-L29 HydrophobicContact CD2-CG 4.39Å; F18-L29 HydrophobicContact CE2-CD1 3.7Å; F18-L29 HydrophobicContact CE2-CG 3.84Å; F18-L29 HydrophobicContact CZ-CD1 4.42Å; F18-L29 HydrophobicContact CZ-CG 4.14Å; C21-L29 VanDerWaalsContact C-CD2 3.46Å; C21-L29 HydrophobicContact CB-CD1 3.6Å; C21-L29 HydrophobicContact CB-CD2 3.56Å; C21-L29 HydrophobicContact CB-CG 4.24Å; D22-L29 HydrophobicContact CB-CD2 3.74Å; L29-V34 HydrophobicContact CB-CG2 3.73Å; L29-V34 HydrophobicContact CD1-CG2 4Å; L29-W63 HydrophobicContact CB-CB 4.15Å; L29-W63 PolarHBondContact N-O 2.71Å; L29-W63 WeakPolarHBondContact O-CB 3.32Å; L29-W63 PolarHBondContact O-N 3.08Å; L29-F68 HydrophobicContact CD1-CD2 3.68Å; L29-F68 HydrophobicContact CD1-CE2 3.86Å; L29-F68 HydrophobicContact CD1-CG 4.2Å
30P81.6Confident78.7Confident71 Ų7164.4 Ų64.446%0.46134%0.335SS..  trans-72.9141.7166.929.3-31.6000110.1E32 C33 V34P30-E32 PolarHBondContact O-N 2.96Å; P30-C33 HydrophobicContact CG-CB 3.78Å; P30-C33 WeakPolarHBondContact O-CB 3.46Å; P30-C33 PolarHBondContact O-N 3.12Å; P30-V34 PolarHBondContact O-N 3.49Å
31T81.9Confident78.6Confident31 Ų3161.7 Ų61.719%0.1932%0.315CS..Hα-helixtrans-51-34.5-178.1-49.70000113.2V34 R35 V52 W63T31-V34 PolarHBondContact O-N 3.2Å; T31-R35 PolarHBondContact O-N 3.13Å; T31-V52 HydrophobicContact CG2-CG1 3.78Å; T31-V52 HydrophobicContact CG2-CG2 4.46Å; T31-W63 HydrophobicContact CG2-CZ2 4.48Å; T31-W63 PolarHBondContact OG1-NE1 3.33Å; T31-W63 VanDerWaalsContact OG1-NE1 3.07Å
32E81.4Confident78.5Confident83 Ų8363.3 Ų63.339%0.38833%0.33SS..Hα-helixtrans-72.1-26179.8-176.255-159.300113.6P30 R35 K36P30-E32 PolarHBondContact O-N 2.96Å; E32-R35 IonicContact OE2-CZ 2.64Å; E32-R35 IonicContact OE2-NH1 3.52Å; E32-R35 PolarHBondContact OE2-NH1 2.82Å; E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 2.96Å; E32-K36 WeakPolarHBondContact OE1-CE 3.45Å; E32-K36 IonicContact OE1-NZ 3.79Å; E32-K36 PolarHBondContact OE1-NZ 3.41Å
33C83Confident78.3Confident39 Ų3963.5 Ų63.526%0.26433%0.33SS..Hα-helixtrans-72.3-45168177.50000110.3P30 R35 K36 F37P30-C33 HydrophobicContact CG-CB 3.78Å; P30-C33 WeakPolarHBondContact O-CB 3.46Å; P30-C33 PolarHBondContact O-N 3.12Å; C33-R35 PolarHBondContact O-N 2.85Å; C33-K36 CarbonylContact O-C 3.54Å; C33-K36 PolarHBondContact O-N 3.28Å; C33-F37 PolarHBondContact O-N 2.9Å
34V84.6Confident78.7Confident0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-60-45177.5-177.50000111L29 P30 T31 K36 F37 L38 W63 F68L29-V34 HydrophobicContact CB-CG2 3.73Å; L29-V34 HydrophobicContact CD1-CG2 4Å; P30-V34 PolarHBondContact O-N 3.49Å; T31-V34 PolarHBondContact O-N 3.2Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.86Å; V34-F37 WeakPolarHBondContact O-CB 3.48Å; V34-F37 PolarHBondContact O-N 3.28Å; V34-L38 HydrophobicContact CG1-CD1 3.91Å; V34-L38 HydrophobicContact CG1-CG 4.14Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.47Å; V34-W63 HydrophobicContact CB-CD2 4.44Å; V34-W63 HydrophobicContact CG1-CD2 4.3Å; V34-W63 HydrophobicContact CG1-CE3 3.97Å; V34-W63 HydrophobicContact CG1-CH2 4.13Å; V34-W63 HydrophobicContact CG1-CZ2 4.45Å; V34-W63 HydrophobicContact CG1-CZ3 3.87Å; V34-W63 HydrophobicContact CG2-CB 4.23Å; V34-W63 HydrophobicContact CG2-CD2 3.95Å; V34-W63 HydrophobicContact CG2-CE3 4.13Å; V34-W63 HydrophobicContact CG2-CG 4Å; V34-F68 HydrophobicContact CG1-CD2 4.07Å; V34-F68 HydrophobicContact CG1-CE2 4.3Å; V34-F68 HydrophobicContact CG2-CD2 4.14Å
35R84.3Confident79.5Confident82 Ų8257.1 Ų57.131%0.30930%0.302SS..Hα-helixtrans-55.4-45.3174.4-178.1-177.6-78.6136.5-10.7112.3T31 E32 C33 F37 L38 S39 I48 N49T31-R35 PolarHBondContact O-N 3.13Å; E32-R35 IonicContact OE2-CZ 2.64Å; E32-R35 IonicContact OE2-NH1 3.52Å; E32-R35 PolarHBondContact OE2-NH1 2.82Å; C33-R35 PolarHBondContact O-N 2.85Å; R35-F37 PolarHBondContact O-N 3.22Å; R35-L38 PolarHBondContact O-N 3.37Å; R35-S39 PolarHBondContact O-N 2.86Å; R35-S39 PolarHBondContact O-OG 3.4Å; R35-I48 HydrophobicContact CG-CG2 4.05Å; R35-N49 PolarHBondContact NH2-OD1 3.09Å
36K82.7Confident80.1Confident123 Ų12355 Ų5554%0.53530%0.301SS..Hα-helixtrans-70.9-12.8177.2-75169.8170.1136.40114.7E32 C33 V34 S39E32-K36 WeakPolarHBondContact O-CD 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 2.96Å; E32-K36 WeakPolarHBondContact OE1-CE 3.45Å; E32-K36 IonicContact OE1-NZ 3.79Å; E32-K36 PolarHBondContact OE1-NZ 3.41Å; C33-K36 CarbonylContact O-C 3.54Å; C33-K36 PolarHBondContact O-N 3.28Å; V34-K36 VanDerWaalsContact C-N 3.33Å; V34-K36 PolarHBondContact O-N 2.86Å; K36-S39 PolarHBondContact O-OG 2.81Å
37F84.8Confident80.9Confident10 Ų1055.4 Ų55.44%0.04430%0.299CS..Hα-helixtrans-90.6-44.2169.2-170.3-102.1000110.9A17 S20 C21 C33 V34 R35 S39 R40 F41 F68 L72A17-F37 HydrophobicContact CB-CE1 3.76Å; A17-F37 HydrophobicContact CB-CZ 3.59Å; S20-F37 VanDerWaalsContact OG-CE2 3.31Å; S20-F37 WeakPolarHBondContact OG-CE2 3.4Å; C21-F37 WeakPolarHBondContact SG-CD2 3.24Å; C21-F37 WeakPolarHBondContact SG-CG 3.47Å; C33-F37 PolarHBondContact O-N 2.9Å; V34-F37 WeakPolarHBondContact O-CB 3.48Å; V34-F37 PolarHBondContact O-N 3.28Å; R35-F37 PolarHBondContact O-N 3.22Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.01Å; F37-R40 VanDerWaalsContact O-CB 3.29Å; F37-R40 WeakPolarHBondContact O-CB 3.29Å; F37-R40 WeakPolarHBondContact O-CG 3.29Å; F37-R40 PolarHBondContact O-N 3.47Å; F37-R40 VanDerWaalsContact O-N 3.08Å; F37-F41 AromaticContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CD1-CE2 3.78Å; F37-F41 AromaticContact CE1-CE2 3.49Å; F37-F41 HydrophobicContact CE1-CE2 3.49Å; F37-F41 VanDerWaalsContact CE1-CE2 3.49Å; F37-F41 AromaticContact CE1-CZ 3.76Å; F37-F41 HydrophobicContact CE1-CZ 3.76Å; F37-F41 HydrophobicContact CZ-CE2 4.14Å; F37-F41 HydrophobicContact CZ-CZ 4.15Å; F37-F68 HydrophobicContact CD1-CE2 4.06Å; F37-F68 AromaticContact CD1-CZ 3.81Å; F37-F68 HydrophobicContact CD1-CZ 3.81Å; F37-F68 AromaticContact CE1-CZ 3.85Å; F37-F68 HydrophobicContact CE1-CZ 3.85Å; F37-L72 HydrophobicContact CE1-CD2 4.2Å
38L83.8Confident81.5Confident1 Ų154.3 Ų54.31%0.00529%0.287CS..Hα-helixtrans-59.7-36177.5-68.8174.5000112.7V34 R35 R40 F41 I48 I51 V52 V75V34-L38 HydrophobicContact CG1-CD1 3.91Å; V34-L38 HydrophobicContact CG1-CG 4.14Å; V34-L38 WeakPolarHBondContact O-CG 3.22Å; V34-L38 PolarHBondContact O-N 3.47Å; R35-L38 PolarHBondContact O-N 3.37Å; L38-R40 PolarHBondContact O-N 3.17Å; L38-R40 VanDerWaalsContact O-N 3.17Å; L38-F41 PolarHBondContact O-N 3.26Å; L38-F41 VanDerWaalsContact O-N 3.14Å; L38-I48 HydrophobicContact CB-CD1 4.48Å; L38-I48 HydrophobicContact CB-CG1 4.3Å; L38-I48 HydrophobicContact CB-CG2 4Å; L38-I48 HydrophobicContact CD1-CG2 4.08Å; L38-I51 HydrophobicContact CD1-CG2 4.31Å; L38-V52 HydrophobicContact CD1-CG2 4.12Å; L38-V75 HydrophobicContact CD2-CG2 3.44Å; L38-V75 VanDerWaalsContact CD2-CG2 3.44Å
39S83Confident81.7Confident59 Ų5951.7 Ų51.741%0.41328%0.279SS..G310 helixtrans-63.3-18.2176.160.30000114.5R35 K36 F37 F41 A42R35-S39 PolarHBondContact O-N 2.86Å; R35-S39 PolarHBondContact O-OG 3.4Å; K36-S39 PolarHBondContact O-OG 2.81Å; F37-S39 VanDerWaalsContact C-N 3.3Å; F37-S39 PolarHBondContact O-N 3.01Å; S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 3.43Å; S39-A42 PolarHBondContact O-N 3.36Å
40R79.9Confident81.9Confident113 Ų11354.5 Ų54.543%0.42629%0.294SS..G310 helixtrans-71.4-20.7175.6-54.5179-175.6-177.10.2113.3F37 L38 A42 Y101F37-R40 VanDerWaalsContact O-CB 3.29Å; F37-R40 WeakPolarHBondContact O-CB 3.29Å; F37-R40 WeakPolarHBondContact O-CG 3.29Å; F37-R40 PolarHBondContact O-N 3.47Å; F37-R40 VanDerWaalsContact O-N 3.08Å; L38-R40 PolarHBondContact O-N 3.17Å; L38-R40 VanDerWaalsContact O-N 3.17Å; R40-A42 PolarHBondContact O-N 3.02Å; R40-Y101 HydrophobicContact CB-CD2 4.26Å; R40-Y101 HydrophobicContact CB-CE2 3.61Å; R40-Y101 HydrophobicContact CG-CE2 4.32Å
41F77.8Confident82Confident4 Ų451.1 Ų51.12%0.01827%0.272CS..G310 helixtrans-83.39.8178.2-63.8-85.5000113.3F13 F37 L38 S39 I43 L72 V75 Q79 P99 Y101F13-F41 HydrophobicContact CE1-CE1 4.43Å; F13-F41 HydrophobicContact CZ-CE1 4.12Å; F13-F41 HydrophobicContact CZ-CZ 4.29Å; F37-F41 AromaticContact CD1-CE2 3.78Å; F37-F41 HydrophobicContact CD1-CE2 3.78Å; F37-F41 AromaticContact CE1-CE2 3.49Å; F37-F41 HydrophobicContact CE1-CE2 3.49Å; F37-F41 VanDerWaalsContact CE1-CE2 3.49Å; F37-F41 AromaticContact CE1-CZ 3.76Å; F37-F41 HydrophobicContact CE1-CZ 3.76Å; F37-F41 HydrophobicContact CZ-CE2 4.14Å; F37-F41 HydrophobicContact CZ-CZ 4.15Å; L38-F41 PolarHBondContact O-N 3.26Å; L38-F41 VanDerWaalsContact O-N 3.14Å; S39-F41 VanDerWaalsContact C-N 3.27Å; S39-F41 PolarHBondContact O-N 3.43Å; F41-I43 HydrophobicContact CB-CD1 4.11Å; F41-I43 HydrophobicContact CB-CG1 4.26Å; F41-I43 PolarHBondContact O-N 3.06Å; F41-L72 HydrophobicContact CE2-CD2 4.31Å; F41-L72 HydrophobicContact CZ-CD2 4.3Å; F41-V75 HydrophobicContact CB-CG1 4.04Å; F41-V75 HydrophobicContact CD1-CG1 4.03Å; F41-V75 HydrophobicContact CG-CG1 3.93Å; F41-Q79 PolarHBondContact O-NE2 3Å; F41-P99 HydrophobicContact CD1-CB 3.79Å; F41-P99 HydrophobicContact CE1-CB 3.54Å; F41-P99 HydrophobicContact CZ-CB 4.42Å; F41-Y101 HydrophobicContact CE1-CD2 4.22Å; F41-Y101 HydrophobicContact CZ-CD2 4.29Å
42A75.7Confident82.1Confident47 Ų4750.4 Ų50.439%0.38827%0.268SS..THydrogen-bonded Turntrans56.632.3178.300000115S39 R40 R102S39-A42 PolarHBondContact O-N 3.36Å; R40-A42 PolarHBondContact O-N 3.02Å; A42-R102 HydrophobicContact CB-CG 4.32Å; A42-R102 VanDerWaalsContact CB-NE 3.35Å
43I77.3Confident82.1Confident20 Ų2053.9 Ų53.910%0.10328%0.284CS..  trans-85.5147.8173-62.1172.2000108.9F41 L47 I48 I51 V75F41-I43 HydrophobicContact CB-CD1 4.11Å; F41-I43 HydrophobicContact CB-CG1 4.26Å; F41-I43 PolarHBondContact O-N 3.06Å; I43-L47 HydrophobicContact CG2-CB 3.47Å; I43-L47 VanDerWaalsContact CG2-CB 3.47Å; I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; I43-I48 HydrophobicContact CB-CD1 4.34Å; I43-I48 HydrophobicContact CB-CG1 3.99Å; I43-I48 HydrophobicContact CG2-CG1 3.8Å; I43-I48 WeakPolarHBondContact O-CD1 3.24Å; I43-I51 HydrophobicContact CD1-CD1 4.25Å; I43-V75 HydrophobicContact CD1-CB 4.03Å; I43-V75 HydrophobicContact CD1-CG1 3.76Å; I43-V75 HydrophobicContact CD1-CG2 3.71Å
44S80.4Confident81.8Confident62 Ų6255.2 Ų55.243%0.43429%0.288SS..  trans-71149.3176.170.10000112.3V46 L47 I48S44-V46 PolarHBondContact O-N 2.78Å; S44-V46 VanDerWaalsContact O-N 3.09Å; S44-L47 PolarHBondContact O-N 2.89Å; S44-L47 WeakPolarHBondContact OG-CG 3.3Å; S44-I48 WeakPolarHBondContact O-CG1 3.24Å; S44-I48 PolarHBondContact O-N 3.06Å
45D80.8Confident81.3Confident108 Ų10855.6 Ų55.658%0.57829%0.291SS*.Hα-helixtrans-58.6-26.5-178.4-66.5-62000113.8N49D45-N49 PolarHBondContact O-N 3.07Å; D45-N49 VanDerWaalsContact O-N 3.1Å; D45-N49 PolarHBondContact O-ND2 3.3Å
46V83.8Confident80.4Confident103 Ų10352.5 Ų52.562%0.62428%0.282SS*.Hα-helixtrans-62-58.1172.9-177.20000109.7S44 I48 N49 D50S44-V46 PolarHBondContact O-N 2.78Å; S44-V46 VanDerWaalsContact O-N 3.09Å; V46-I48 VanDerWaalsContact C-N 3.27Å; V46-I48 PolarHBondContact O-N 3.38Å; V46-N49 PolarHBondContact O-N 2.77Å; V46-D50 PolarHBondContact O-N 2.9Å
47L83.2Confident79.3Confident62 Ų6251.9 Ų51.933%0.32529%0.29SS..Hα-helixtrans-62.6-33.9179.7-59.6172000111.5I43 S44 D50 I51 M84I43-L47 HydrophobicContact CG2-CB 3.47Å; I43-L47 VanDerWaalsContact CG2-CB 3.47Å; I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 HydrophobicContact CG2-CG 4.39Å; S44-L47 PolarHBondContact O-N 2.89Å; S44-L47 WeakPolarHBondContact OG-CG 3.3Å; L47-D50 PolarHBondContact O-N 2.78Å; L47-I51 WeakPolarHBondContact O-CB 3.42Å; L47-I51 WeakPolarHBondContact O-CD1 3.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.34Å; L47-I51 PolarHBondContact O-N 3.49Å; L47-M84 HydrophobicContact CB-CE 4.29Å; L47-M84 HydrophobicContact CB-SD 4.27Å; L47-M84 HydrophobicContact CD2-CE 3.34Å; L47-M84 HydrophobicContact CD2-SD 3.92Å; L47-M84 HydrophobicContact CG-CE 4.4Å
48I84.5Confident78Confident1 Ų154.5 Ų54.51%0.00531%0.31CS..Hα-helixtrans-63.3-41174.7-67170.7000111.3R35 L38 I43 S44 V46 V52R35-I48 HydrophobicContact CG-CG2 4.05Å; L38-I48 HydrophobicContact CB-CD1 4.48Å; L38-I48 HydrophobicContact CB-CG1 4.3Å; L38-I48 HydrophobicContact CB-CG2 4Å; L38-I48 HydrophobicContact CD1-CG2 4.08Å; I43-I48 HydrophobicContact CB-CD1 4.34Å; I43-I48 HydrophobicContact CB-CG1 3.99Å; I43-I48 HydrophobicContact CG2-CG1 3.8Å; I43-I48 WeakPolarHBondContact O-CD1 3.24Å; S44-I48 WeakPolarHBondContact O-CG1 3.24Å; S44-I48 PolarHBondContact O-N 3.06Å; V46-I48 VanDerWaalsContact C-N 3.27Å; V46-I48 PolarHBondContact O-N 3.38Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 VanDerWaalsContact O-CG2 3.31Å; I48-V52 WeakPolarHBondContact O-CG2 3.16Å; I48-V52 PolarHBondContact O-N 3.4Å
49N82.8Confident76.7Confident65 Ų6560.4 Ų60.435%0.34835%0.349SS..Hα-helixtrans-69.1-39.2176.4-72.6-54.5000111.7R35 D45 V46 V52 Q53R35-N49 PolarHBondContact NH2-OD1 3.09Å; D45-N49 PolarHBondContact O-N 3.07Å; D45-N49 VanDerWaalsContact O-N 3.1Å; D45-N49 PolarHBondContact O-ND2 3.3Å; V46-N49 PolarHBondContact O-N 2.77Å; N49-V52 WeakPolarHBondContact O-CB 3.49Å; N49-V52 PolarHBondContact O-N 3.14Å; N49-Q53 WeakPolarHBondContact O-CB 3.42Å; N49-Q53 PolarHBondContact O-N 3.14Å
50D82.7Confident75.3Confident60 Ų6063.7 Ų63.732%0.32137%0.37SS..Hα-helixtrans-59.7-47173.1-63.9-29.6000111.4V46 L47 V52 Q53 L54 M84V46-D50 PolarHBondContact O-N 2.9Å; L47-D50 PolarHBondContact O-N 2.78Å; D50-V52 VanDerWaalsContact C-N 3.34Å; D50-V52 PolarHBondContact O-N 2.64Å; D50-Q53 PolarHBondContact O-N 3.33Å; D50-Q53 VanDerWaalsContact O-N 3.17Å; D50-L54 WeakPolarHBondContact O-CB 3.19Å; D50-L54 VanDerWaalsContact O-CG 3.24Å; D50-L54 WeakPolarHBondContact O-CG 3.42Å; D50-L54 PolarHBondContact O-N 3.24Å; D50-M84 HydrophobicContact CB-CE 3.47Å; D50-M84 VanDerWaalsContact CB-CE 3.47Å; D50-M84 WeakPolarHBondContact OD2-CE 3.46Å
51I83.6Confident74.5Confident1 Ų159.6 Ų59.61%0.00536%0.363CS..Hα-helixtrans-60.5-42.4176.3-68.7168000111L38 I43 L47 Q53 L54 S55 A71 V75 A78 M84L38-I51 HydrophobicContact CD1-CG2 4.31Å; I43-I51 HydrophobicContact CD1-CD1 4.25Å; L47-I51 WeakPolarHBondContact O-CB 3.42Å; L47-I51 WeakPolarHBondContact O-CD1 3.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.34Å; L47-I51 PolarHBondContact O-N 3.49Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 3.08Å; I51-L54 PolarHBondContact O-N 2.97Å; I51-S55 WeakPolarHBondContact O-CB 3.44Å; I51-S55 PolarHBondContact O-N 2.89Å; I51-A71 HydrophobicContact CG2-CB 3.77Å; I51-V75 HydrophobicContact CD1-CG2 4.26Å; I51-A78 HydrophobicContact CD1-CB 4.31Å; I51-M84 HydrophobicContact CD1-SD 4.22Å; I51-M84 HydrophobicContact CG1-SD 3.85Å
52V83.9Confident74.2Confident16 Ų1664.4 Ų64.410%0.09739%0.388CS..Hα-helixtrans-60.3-42.1175158.40000111.5T31 L38 I48 N49 D50 S56 W63T31-V52 HydrophobicContact CG2-CG1 3.78Å; T31-V52 HydrophobicContact CG2-CG2 4.46Å; L38-V52 HydrophobicContact CD1-CG2 4.12Å; I48-V52 WeakPolarHBondContact O-CB 3.27Å; I48-V52 VanDerWaalsContact O-CG2 3.31Å; I48-V52 WeakPolarHBondContact O-CG2 3.16Å; I48-V52 PolarHBondContact O-N 3.4Å; N49-V52 WeakPolarHBondContact O-CB 3.49Å; N49-V52 PolarHBondContact O-N 3.14Å; D50-V52 VanDerWaalsContact C-N 3.34Å; D50-V52 PolarHBondContact O-N 2.64Å; V52-S56 WeakPolarHBondContact O-CB 3.48Å; V52-S56 PolarHBondContact O-N 3.47Å; V52-S56 PolarHBondContact O-OG 2.96Å; V52-W63 HydrophobicContact CB-CZ2 4.23Å; V52-W63 HydrophobicContact CG1-CZ2 4.15Å; V52-W63 HydrophobicContact CG2-CH2 4.26Å; V52-W63 HydrophobicContact CG2-CZ2 3.99Å
53Q81.9Confident74.3Confident156 Ų15662.2 Ų62.273%0.72937%0.37SS*.Hα-helixtrans-74.4-36.6179.7-175.2170.2-15.200113N49 D50 I51N49-Q53 WeakPolarHBondContact O-CB 3.42Å; N49-Q53 PolarHBondContact O-N 3.14Å; D50-Q53 PolarHBondContact O-N 3.33Å; D50-Q53 VanDerWaalsContact O-N 3.17Å; I51-Q53 VanDerWaalsContact C-N 3.33Å; I51-Q53 PolarHBondContact O-N 3.08Å
54L76Confident74.3Confident66 Ų6662.6 Ų62.635%0.34638%0.378SS..Hα-helixtrans-76-23.8178.7-71.7167.9000113.6D50 I51 Y74 M84D50-L54 WeakPolarHBondContact O-CB 3.19Å; D50-L54 VanDerWaalsContact O-CG 3.24Å; D50-L54 WeakPolarHBondContact O-CG 3.42Å; D50-L54 PolarHBondContact O-N 3.24Å; I51-L54 PolarHBondContact O-N 2.97Å; L54-Y74 HydrophobicContact CB-CD2 4.44Å; L54-Y74 HydrophobicContact CB-CE1 4.5Å; L54-Y74 HydrophobicContact CB-CE2 3.84Å; L54-Y74 HydrophobicContact CD1-CE1 4.35Å; L54-M84 HydrophobicContact CD1-CB 4.06Å; L54-M84 VanDerWaalsContact CD1-O 3.24Å; L54-M84 WeakPolarHBondContact CD1-O 3.49Å
55S73.6Confident74.4Confident8 Ų866 Ų666%0.05638%0.382CS..Hα-helixtrans-102.8-14.4-174.4-155.10000114.7I51 N67 T70 A71I51-S55 WeakPolarHBondContact O-CB 3.44Å; I51-S55 PolarHBondContact O-N 2.89Å; S55-N67 WeakPolarHBondContact O-CB 3.48Å; S55-N67 PolarHBondContact OG-O 3.34Å; S55-T70 WeakPolarHBondContact OG-CB 3.4Å; S55-T70 WeakPolarHBondContact OG-CG2 3.1Å; S55-A71 PolarHBondContact OG-N 2.8Å
56S66.1Low74.4Confident18 Ų1864.7 Ų64.713%0.12638%0.378CS..  trans-115.4119.9178.567.70000112.1V52 S58V52-S56 WeakPolarHBondContact O-CB 3.48Å; V52-S56 PolarHBondContact O-N 3.47Å; V52-S56 PolarHBondContact O-OG 2.96Å; S56-S58 PolarHBondContact O-N 3.39Å; S56-S58 VanDerWaalsContact O-N 3.08Å
57P60.5Low74.3Confident109 Ų10961.8 Ų61.871%0.70836%0.359SS*.SBendtrans-77.915.6178.533.7-36.6000113.2
58S56.5Low74.5Confident66 Ų6658.9 Ų58.946%0.46234%0.343SS..SBendtrans-159.9114.1-178.7-68.70000110.3S56 C60 G61S56-S58 PolarHBondContact O-N 3.39Å; S56-S58 VanDerWaalsContact O-N 3.08Å; S58-C60 PolarHBondContact O-N 2.89Å; S58-G61 PolarHBondContact O-N 3.12Å; S58-G61 VanDerWaalsContact O-N 3.12Å
59P56.8Low74.5Confident125 Ų12559.7 Ų59.781%0.81235%0.347SS*.THydrogen-bonded Turntrans-68.5-9.9-171.127.2-35.7000114.8
60C54.2Low74.6Confident128 Ų12857.7 Ų57.787%0.86534%0.337SS*.THydrogen-bonded Turntrans-119.616.9178.3-52.70000112.9S58S58-C60 PolarHBondContact O-N 2.89Å
61G63.2Low74.7Confident26 Ų2654.9 Ų54.927%0.26832%0.322SS..  trans-89.3148.4-173.800000114.9S58S58-G61 PolarHBondContact O-N 3.12Å; S58-G61 VanDerWaalsContact O-N 3.12Å
62L70Confident74.8Confident105 Ų10554.9 Ų54.955%0.5532%0.322SS..  trans-69.1134.1163.2-73.1164.9000110.2K28 G64K28-L62 HydrophobicContact CB-CB 4.03Å; K28-L62 HydrophobicContact CB-CD1 4.27Å; K28-L62 HydrophobicContact CB-CD2 4.5Å; K28-L62 HydrophobicContact CD-CB 4.2Å; K28-L62 HydrophobicContact CD-CD1 3.92Å; K28-L62 HydrophobicContact CG-CB 4.35Å; L62-G64 PolarHBondContact O-N 3.45Å
63W77.4Confident74.7Confident1 Ų154.3 Ų54.30%0.00432%0.318CS..BIsolated β-bridgetrans-81.8111.7-176.1-75.356.7000111.8K28 L29 T31 V34 V52 N67 F68 A71K28-W63 WeakPolarHBondContact CA-O 3.31Å; L29-W63 HydrophobicContact CB-CB 4.15Å; L29-W63 PolarHBondContact N-O 2.71Å; L29-W63 WeakPolarHBondContact O-CB 3.32Å; L29-W63 PolarHBondContact O-N 3.08Å; T31-W63 HydrophobicContact CG2-CZ2 4.48Å; T31-W63 PolarHBondContact OG1-NE1 3.33Å; T31-W63 VanDerWaalsContact OG1-NE1 3.07Å; V34-W63 HydrophobicContact CB-CD2 4.44Å; V34-W63 HydrophobicContact CG1-CD2 4.3Å; V34-W63 HydrophobicContact CG1-CE3 3.97Å; V34-W63 HydrophobicContact CG1-CH2 4.13Å; V34-W63 HydrophobicContact CG1-CZ2 4.45Å; V34-W63 HydrophobicContact CG1-CZ3 3.87Å; V34-W63 HydrophobicContact CG2-CB 4.23Å; V34-W63 HydrophobicContact CG2-CD2 3.95Å; V34-W63 HydrophobicContact CG2-CE3 4.13Å; V34-W63 HydrophobicContact CG2-CG 4Å; V52-W63 HydrophobicContact CB-CZ2 4.23Å; V52-W63 HydrophobicContact CG1-CZ2 4.15Å; V52-W63 HydrophobicContact CG2-CH2 4.26Å; V52-W63 HydrophobicContact CG2-CZ2 3.99Å; W63-N67 HydrophobicContact CD2-CB 4.36Å; W63-N67 HydrophobicContact CE3-CB 3.88Å; W63-N67 HydrophobicContact CZ3-CB 4.36Å; W63-N67 VanDerWaalsContact CZ3-O 3.25Å; W63-N67 WeakPolarHBondContact CZ3-O 3.38Å; W63-F68 HydrophobicContact CE3-CB 4.38Å; W63-A71 HydrophobicContact CH2-CB 4.03Å; W63-A71 HydrophobicContact CZ3-CB 3.64Å
64G78.8Confident74.8Confident28 Ų2846.9 Ų46.929%0.28928%0.284SS..  trans-76.8161.2164.600000112.2L62 V66 N67 F68L62-G64 PolarHBondContact O-N 3.45Å; G64-V66 VanDerWaalsContact C-N 3.26Å; G64-V66 PolarHBondContact O-N 3.04Å; G64-V66 VanDerWaalsContact O-N 3.1Å; G64-N67 PolarHBondContact O-N 3.49Å; G64-F68 PolarHBondContact O-N 2.91Å
65R81.8Confident75.1Confident134 Ų13443.8 Ų43.851%0.50627%0.267SS..Hα-helixtrans-46.6-42.9-176.9-60.8177.2-169.3142.43114F18 N67 F68 F69F18-R65 HydrophobicContact CD1-CG 4.33Å; F18-R65 HydrophobicContact CD2-CG 4.11Å; F18-R65 HydrophobicContact CE1-CG 4.01Å; F18-R65 HydrophobicContact CE2-CB 4.35Å; F18-R65 HydrophobicContact CE2-CG 3.76Å; F18-R65 HydrophobicContact CG-CG 4.39Å; F18-R65 HydrophobicContact CZ-CG 3.72Å; R65-N67 PolarHBondContact O-N 3.26Å; R65-F68 PolarHBondContact O-N 2.94Å; R65-F69 HydrophobicContact CB-CE2 4.23Å; R65-F69 HydrophobicContact CB-CZ 4.14Å; R65-F69 WeakPolarHBondContact O-CD1 3.22Å; R65-F69 VanDerWaalsContact O-CG 3.22Å; R65-F69 WeakPolarHBondContact O-CG 3.36Å; R65-F69 PolarHBondContact O-N 2.71Å
66V80.1Confident75.5Confident81 Ų8143.4 Ų43.449%0.49127%0.265SS..Hα-helixtrans-60.6-42.6-179.5-177.30000112.2G64 F68 T70G64-V66 VanDerWaalsContact C-N 3.26Å; G64-V66 PolarHBondContact O-N 3.04Å; G64-V66 VanDerWaalsContact O-N 3.1Å; V66-F68 VanDerWaalsContact C-N 3.33Å; V66-T70 VanDerWaalsContact O-CB 3.32Å; V66-T70 WeakPolarHBondContact O-CB 3.11Å; V66-T70 PolarHBondContact O-N 2.97Å; V66-T70 PolarHBondContact O-OG1 3.17Å
67N83.6Confident76.2Confident41 Ų4142.5 Ų42.522%0.21926%0.259CS..Hα-helixtrans-69.4-35.1178.8-59.68.3000110.8S55 W63 G64 R65 A71S55-N67 WeakPolarHBondContact O-CB 3.48Å; S55-N67 PolarHBondContact OG-O 3.34Å; W63-N67 HydrophobicContact CD2-CB 4.36Å; W63-N67 HydrophobicContact CE3-CB 3.88Å; W63-N67 HydrophobicContact CZ3-CB 4.36Å; W63-N67 VanDerWaalsContact CZ3-O 3.25Å; W63-N67 WeakPolarHBondContact CZ3-O 3.38Å; G64-N67 PolarHBondContact O-N 3.49Å; R65-N67 PolarHBondContact O-N 3.26Å; N67-A71 PolarHBondContact O-N 2.71Å; N67-A71 VanDerWaalsContact O-N 3.07Å
68F85.7Confident77.1Confident1 Ų138.5 Ų38.50%0.00423%0.234CC..Hα-helixtrans-68.7-47.5176.2-175.4-100.4000111.8A17 F18 L29 V34 F37 W63 G64 R65 V66 T70 A71 L72A17-F68 HydrophobicContact CB-CE1 3.94Å; A17-F68 HydrophobicContact CB-CZ 4.16Å; F18-F68 HydrophobicContact CB-CD1 3.89Å; F18-F68 HydrophobicContact CB-CE1 3.78Å; F18-F68 HydrophobicContact CD2-CB 4.03Å; F18-F68 AromaticContact CD2-CD1 3.69Å; F18-F68 HydrophobicContact CD2-CD1 3.69Å; F18-F68 HydrophobicContact CD2-CE1 4.27Å; F18-F68 AromaticContact CD2-CG 3.88Å; F18-F68 HydrophobicContact CD2-CG 3.88Å; F18-F68 HydrophobicContact CE2-CB 4.41Å; F18-F68 HydrophobicContact CG-CD1 4.3Å; L29-F68 HydrophobicContact CD1-CD2 3.68Å; L29-F68 HydrophobicContact CD1-CE2 3.86Å; L29-F68 HydrophobicContact CD1-CG 4.2Å; V34-F68 HydrophobicContact CG1-CD2 4.07Å; V34-F68 HydrophobicContact CG1-CE2 4.3Å; V34-F68 HydrophobicContact CG2-CD2 4.14Å; F37-F68 HydrophobicContact CD1-CE2 4.06Å; F37-F68 AromaticContact CD1-CZ 3.81Å; F37-F68 HydrophobicContact CD1-CZ 3.81Å; F37-F68 AromaticContact CE1-CZ 3.85Å; F37-F68 HydrophobicContact CE1-CZ 3.85Å; W63-F68 HydrophobicContact CE3-CB 4.38Å; G64-F68 PolarHBondContact O-N 2.91Å; R65-F68 PolarHBondContact O-N 2.94Å; V66-F68 VanDerWaalsContact C-N 3.33Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.27Å; F68-A71 WeakPolarHBondContact O-CB 3.31Å; F68-A71 PolarHBondContact O-N 2.94Å; F68-A71 VanDerWaalsContact O-N 3.09Å; F68-L72 HydrophobicContact CD1-CD1 4.06Å; F68-L72 HydrophobicContact CD1-CG 4.47Å; F68-L72 HydrophobicContact CE1-CD1 3.62Å; F68-L72 HydrophobicContact CE1-CG 4.22Å; F68-L72 HydrophobicContact CZ-CD1 4.24Å; F68-L72 PolarHBondContact O-N 2.97Å
69F86.1Confident78.2Confident19 Ų1938.4 Ų38.48%0.08323%0.227CC..Hα-helixtrans-62.9-37.8175.7-60.9-11.7000112L4 L6 Y14 F15 F18 R65 A71 L72 K73L4-F69 HydrophobicContact CD1-CB 3.96Å; L6-F69 HydrophobicContact CD1-CD2 4.12Å; Y14-F69 HydrophobicContact CD2-CB 3.89Å; Y14-F69 HydrophobicContact CD2-CD1 4.13Å; Y14-F69 HydrophobicContact CD2-CG 4.05Å; Y14-F69 HydrophobicContact CE2-CB 4.42Å; Y14-F69 HydrophobicContact CG-CD1 4.32Å; Y14-F69 WeakPolarHBondContact O-CE1 3.47Å; F15-F69 HydrophobicContact CD1-CZ 4.3Å; F15-F69 HydrophobicContact CD2-CE2 4.41Å; F15-F69 AromaticContact CD2-CZ 3.9Å; F15-F69 HydrophobicContact CD2-CZ 3.9Å; F15-F69 HydrophobicContact CE1-CZ 4.21Å; F15-F69 AromaticContact CE2-CE2 3.93Å; F15-F69 HydrophobicContact CE2-CE2 3.93Å; F15-F69 AromaticContact CE2-CZ 3.8Å; F15-F69 HydrophobicContact CE2-CZ 3.8Å; F15-F69 HydrophobicContact CG-CZ 4.17Å; F15-F69 HydrophobicContact CZ-CE2 4.14Å; F15-F69 AromaticContact CZ-CZ 3.97Å; F15-F69 HydrophobicContact CZ-CZ 3.97Å; F18-F69 HydrophobicContact CB-CE1 4.26Å; R65-F69 HydrophobicContact CB-CE2 4.23Å; R65-F69 HydrophobicContact CB-CZ 4.14Å; R65-F69 WeakPolarHBondContact O-CD1 3.22Å; R65-F69 VanDerWaalsContact O-CG 3.22Å; R65-F69 WeakPolarHBondContact O-CG 3.36Å; R65-F69 PolarHBondContact O-N 2.71Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.42Å; F69-L72 PolarHBondContact O-N 3.47Å; F69-K73 PolarHBondContact O-N 2.93Å
70T83.6Confident79Confident22 Ų2234.7 Ų34.714%0.13520%0.203CC..Hα-helixtrans-62.1-38.6173.4-57.20000111.2S55 V66 F68 K73 Y74 L89S55-T70 WeakPolarHBondContact OG-CB 3.4Å; S55-T70 WeakPolarHBondContact OG-CG2 3.1Å; V66-T70 VanDerWaalsContact O-CB 3.32Å; V66-T70 WeakPolarHBondContact O-CB 3.11Å; V66-T70 PolarHBondContact O-N 2.97Å; V66-T70 PolarHBondContact O-OG1 3.17Å; F68-T70 VanDerWaalsContact C-N 3.31Å; F68-T70 PolarHBondContact O-N 3.27Å; T70-K73 PolarHBondContact O-N 2.82Å; T70-Y74 HydrophobicContact CG2-CD2 4.01Å; T70-Y74 HydrophobicContact CG2-CE2 3.81Å; T70-Y74 VanDerWaalsContact O-CD2 3.27Å; T70-Y74 WeakPolarHBondContact O-CD2 3.45Å; T70-Y74 PolarHBondContact O-N 2.79Å; T70-L89 HydrophobicContact CG2-CD2 4.2Å
71A85.7Confident79.9Confident1 Ų131.9 Ų31.91%0.00820%0.196CC..Hα-helixtrans-69.9-38.717600000112.3I51 S55 W63 N67 F68 F69 K73 Y74 V75I51-A71 HydrophobicContact CG2-CB 3.77Å; S55-A71 PolarHBondContact OG-N 2.8Å; W63-A71 HydrophobicContact CH2-CB 4.03Å; W63-A71 HydrophobicContact CZ3-CB 3.64Å; N67-A71 PolarHBondContact O-N 2.71Å; N67-A71 VanDerWaalsContact O-N 3.07Å; F68-A71 WeakPolarHBondContact O-CB 3.31Å; F68-A71 PolarHBondContact O-N 2.94Å; F68-A71 VanDerWaalsContact O-N 3.09Å; F69-A71 VanDerWaalsContact C-N 3.31Å; F69-A71 PolarHBondContact O-N 3.42Å; A71-K73 VanDerWaalsContact C-N 3.28Å; A71-K73 PolarHBondContact O-N 3.07Å; A71-Y74 CarbonylContact O-C 3.52Å; A71-Y74 PolarHBondContact O-N 3Å; A71-Y74 VanDerWaalsContact O-N 3.14Å; A71-V75 WeakPolarHBondContact O-CG2 3.42Å; A71-V75 PolarHBondContact O-N 3.1Å
72L85.2Confident80.2Confident1 Ų132.6 Ų32.61%0.00519%0.193CC..Hα-helixtrans-63.9-32.8174-66.1-178.7000112.6Y14 A17 F37 F41 F68 F69 V75 S76 P99Y14-L72 HydrophobicContact CD1-CB 4.04Å; Y14-L72 HydrophobicContact CD1-CD1 3.55Å; Y14-L72 HydrophobicContact CD1-CG 4.45Å; Y14-L72 HydrophobicContact CD2-CB 4.36Å; Y14-L72 HydrophobicContact CD2-CD1 4.36Å; Y14-L72 HydrophobicContact CE1-CB 3.73Å; Y14-L72 HydrophobicContact CE1-CD1 4.11Å; Y14-L72 HydrophobicContact CE2-CB 4.04Å; Y14-L72 HydrophobicContact CG-CB 4.36Å; Y14-L72 HydrophobicContact CG-CD1 3.71Å; A17-L72 HydrophobicContact CB-CD1 3.97Å; F37-L72 HydrophobicContact CE1-CD2 4.2Å; F41-L72 HydrophobicContact CE2-CD2 4.31Å; F41-L72 HydrophobicContact CZ-CD2 4.3Å; F68-L72 HydrophobicContact CD1-CD1 4.06Å; F68-L72 HydrophobicContact CD1-CG 4.47Å; F68-L72 HydrophobicContact CE1-CD1 3.62Å; F68-L72 HydrophobicContact CE1-CG 4.22Å; F68-L72 HydrophobicContact CZ-CD1 4.24Å; F68-L72 PolarHBondContact O-N 2.97Å; F69-L72 PolarHBondContact O-N 3.47Å; L72-V75 WeakPolarHBondContact O-CB 3.49Å; L72-V75 PolarHBondContact O-N 2.95Å; L72-S76 PolarHBondContact O-N 3.03Å; L72-S76 VanDerWaalsContact O-N 3.14Å; L72-P99 WeakPolarHBondContact O-CG 3.32Å
73K82.1Confident80.1Confident4 Ų432 Ų322%0.01720%0.196CC..Hα-helixtrans-74.8-27.4173.2-155.781.4168.9-175.50112.4L6 E10 Y14 F69 T70 A71 S76 L77 L89 R93 L96L6-K73 HydrophobicContact CD2-CD 4.43Å; E10-K73 IonicContact OE1-NZ 2.78Å; E10-K73 PolarHBondContact OE1-NZ 3.45Å; E10-K73 IonicContact OE2-NZ 2.72Å; E10-K73 PolarHBondContact OE2-NZ 3.38Å; Y14-K73 WeakPolarHBondContact OH-CD 3.5Å; F69-K73 PolarHBondContact O-N 2.93Å; T70-K73 PolarHBondContact O-N 2.82Å; A71-K73 VanDerWaalsContact C-N 3.28Å; A71-K73 PolarHBondContact O-N 3.07Å; K73-S76 PolarHBondContact O-OG 3.09Å; K73-S76 VanDerWaalsContact O-OG 3.08Å; K73-L77 PolarHBondContact O-N 3.32Å; K73-L89 HydrophobicContact CB-CD1 3.85Å; K73-L89 HydrophobicContact CG-CD1 3.56Å; K73-R93 WeakPolarHBondContact CE-O 3.28Å; K73-R93 PolarHBondContact NZ-O 3.27Å; K73-L96 HydrophobicContact CG-CD1 4.41Å
74Y83Confident79.7Confident1 Ų133.8 Ų33.80%0.00421%0.205CC..Hα-helixtrans-74.6-30.6166.2-80.6-63.3000113.3L54 T70 A71 L77 A78 L89L54-Y74 HydrophobicContact CB-CD2 4.44Å; L54-Y74 HydrophobicContact CB-CE1 4.5Å; L54-Y74 HydrophobicContact CB-CE2 3.84Å; L54-Y74 HydrophobicContact CD1-CE1 4.35Å; T70-Y74 HydrophobicContact CG2-CD2 4.01Å; T70-Y74 HydrophobicContact CG2-CE2 3.81Å; T70-Y74 VanDerWaalsContact O-CD2 3.27Å; T70-Y74 WeakPolarHBondContact O-CD2 3.45Å; T70-Y74 PolarHBondContact O-N 2.79Å; A71-Y74 CarbonylContact O-C 3.52Å; A71-Y74 PolarHBondContact O-N 3Å; A71-Y74 VanDerWaalsContact O-N 3.14Å; Y74-L77 HydrophobicContact CD1-CD1 3.75Å; Y74-L77 HydrophobicContact CE1-CD1 4.24Å; Y74-L77 WeakPolarHBondContact O-CB 3.4Å; Y74-L77 PolarHBondContact O-N 3.41Å; Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.22Å; Y74-L89 HydrophobicContact CD1-CD1 4.48Å; Y74-L89 HydrophobicContact CD2-CD2 4.48Å; Y74-L89 HydrophobicContact CE1-CB 4.26Å; Y74-L89 HydrophobicContact CE1-CD2 4.16Å; Y74-L89 HydrophobicContact CE2-CD2 4.01Å
75V84Confident79Confident0 Ų034.3 Ų34.30%020%0.204CC..Hα-helixtrans-61.4-45.9171.41620000110.4L38 F41 I43 I51 A71 L72 L77 A78 Q79 P99L38-V75 HydrophobicContact CD2-CG2 3.44Å; L38-V75 VanDerWaalsContact CD2-CG2 3.44Å; F41-V75 HydrophobicContact CB-CG1 4.04Å; F41-V75 HydrophobicContact CD1-CG1 4.03Å; F41-V75 HydrophobicContact CG-CG1 3.93Å; I43-V75 HydrophobicContact CD1-CB 4.03Å; I43-V75 HydrophobicContact CD1-CG1 3.76Å; I43-V75 HydrophobicContact CD1-CG2 3.71Å; I51-V75 HydrophobicContact CD1-CG2 4.26Å; A71-V75 WeakPolarHBondContact O-CG2 3.42Å; A71-V75 PolarHBondContact O-N 3.1Å; L72-V75 WeakPolarHBondContact O-CB 3.49Å; L72-V75 PolarHBondContact O-N 2.95Å; V75-L77 PolarHBondContact O-N 2.92Å; V75-A78 PolarHBondContact O-N 2.92Å; V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.43Å; V75-Q79 WeakPolarHBondContact O-CG 3.47Å; V75-Q79 PolarHBondContact O-N 3.4Å; V75-P99 HydrophobicContact CG1-CB 3.71Å; V75-P99 HydrophobicContact CG1-CG 4.15Å
76S80.5Confident78.1Confident0 Ų035.4 Ų35.40%021%0.208CC..Hα-helixtrans-66.5-35.2177.553.20000112.9L72 K73 S80 P97L72-S76 PolarHBondContact O-N 3.03Å; L72-S76 VanDerWaalsContact O-N 3.14Å; K73-S76 PolarHBondContact O-OG 3.09Å; K73-S76 VanDerWaalsContact O-OG 3.08Å; S76-S80 VanDerWaalsContact O-CB 3.31Å; S76-S80 WeakPolarHBondContact O-CB 3.47Å; S76-S80 PolarHBondContact O-N 3.33Å; S76-S80 PolarHBondContact O-OG 3.42Å; S76-S80 VanDerWaalsContact O-OG 3.13Å; S76-P97 WeakPolarHBondContact CB-O 3.39Å
77L81.2Confident77.1Confident0 Ų036.3 Ų36.30%021%0.21CC..Hα-helixtrans-58.2-49.1168.4-78.2169.3000112.3K73 Y74 V75 S80 G81 I82 E88 L89 N92 L96K73-L77 PolarHBondContact O-N 3.32Å; Y74-L77 HydrophobicContact CD1-CD1 3.75Å; Y74-L77 HydrophobicContact CE1-CD1 4.24Å; Y74-L77 WeakPolarHBondContact O-CB 3.4Å; Y74-L77 PolarHBondContact O-N 3.41Å; V75-L77 PolarHBondContact O-N 2.92Å; L77-S80 PolarHBondContact O-N 3.03Å; L77-S80 PolarHBondContact O-OG 2.82Å; L77-G81 PolarHBondContact O-N 3.28Å; L77-I82 HydrophobicContact CD2-CB 3.85Å; L77-I82 HydrophobicContact CD2-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CG2 3.59Å; L77-I82 PolarHBondContact O-N 3.11Å; L77-E88 HydrophobicContact CD2-CB 4.22Å; L77-L89 HydrophobicContact CD1-CB 3.87Å; L77-L89 HydrophobicContact CD1-CD1 3.63Å; L77-L89 HydrophobicContact CD1-CG 4.38Å; L77-L89 HydrophobicContact CG-CD1 4.48Å; L77-N92 HydrophobicContact CD2-CB 4.39Å; L77-L96 HydrophobicContact CD2-CD1 3.94Å; L77-L96 HydrophobicContact CD2-CD2 3.92Å; L77-L96 HydrophobicContact CG-CD1 3.86Å; L77-L96 HydrophobicContact CG-CD2 4.31Å
78A80.6Confident76.1Confident24 Ų2436 Ų3620%0.19821%0.208CC..Hα-helixtrans-64.6-40.7-178.700000111.8I51 Y74 V75 G81 M84I51-A78 HydrophobicContact CD1-CB 4.31Å; Y74-A78 WeakPolarHBondContact O-CB 3.38Å; Y74-A78 PolarHBondContact O-N 3.22Å; V75-A78 PolarHBondContact O-N 2.92Å; A78-G81 PolarHBondContact O-N 3.04Å; A78-M84 HydrophobicContact CB-CG 4.46Å; A78-M84 HydrophobicContact CB-SD 4.17Å
79Q79.9Confident75.1Confident65 Ų6536.9 Ų36.930%0.30421%0.212SC..Hα-helixtrans-70.3-29.5175.1-72-174.6-29.300113F41 V75 G81 A100F41-Q79 PolarHBondContact O-NE2 3Å; V75-Q79 HydrophobicContact CG1-CG 4.49Å; V75-Q79 WeakPolarHBondContact O-CB 3.43Å; V75-Q79 WeakPolarHBondContact O-CG 3.47Å; V75-Q79 PolarHBondContact O-N 3.4Å; Q79-G81 PolarHBondContact O-N 3.06Å; Q79-A100 PolarHBondContact NE2-O 3.26Å
80S72.9Confident74.2Confident46 Ų4641.2 Ų41.232%0.32224%0.235SC..THydrogen-bonded Turntrans-80.72.7173.471.80000113.9S76 L77 I82S76-S80 VanDerWaalsContact O-CB 3.31Å; S76-S80 WeakPolarHBondContact O-CB 3.47Å; S76-S80 PolarHBondContact O-N 3.33Å; S76-S80 PolarHBondContact O-OG 3.42Å; S76-S80 VanDerWaalsContact O-OG 3.13Å; L77-S80 PolarHBondContact O-N 3.03Å; L77-S80 PolarHBondContact O-OG 2.82Å; S80-I82 PolarHBondContact O-N 3.05Å; S80-I82 WeakPolarHBondContact OG-CD1 3.49Å; S80-I82 WeakPolarHBondContact OG-CG1 3.38Å
81G71.9Confident73.1Confident69 Ų6948.2 Ų48.271%0.71126%0.259SS*.THydrogen-bonded Turntrans70.914-179.400000114.9L77 A78 Q79L77-G81 PolarHBondContact O-N 3.28Å; A78-G81 PolarHBondContact O-N 3.04Å; Q79-G81 PolarHBondContact O-N 3.06Å
82I70.9Confident71.8Confident41 Ų4149.9 Ų49.921%0.2127%0.268CS..  trans-87.5133.3-178.7-63.6176.5000108.6L77 S80 M84 E88 N92 L96L77-I82 HydrophobicContact CD2-CB 3.85Å; L77-I82 HydrophobicContact CD2-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CG2 3.59Å; L77-I82 PolarHBondContact O-N 3.11Å; S80-I82 PolarHBondContact O-N 3.05Å; S80-I82 WeakPolarHBondContact OG-CD1 3.49Å; S80-I82 WeakPolarHBondContact OG-CG1 3.38Å; I82-M84 PolarHBondContact O-N 3.43Å; I82-E88 HydrophobicContact CG2-CB 3.68Å; I82-E88 HydrophobicContact CG2-CG 3.77Å; I82-N92 HydrophobicContact CD1-CB 4.45Å; I82-L96 HydrophobicContact CD1-CD2 4.18Å
83P67.7Low70.6Confident92 Ų9253 Ų5360%0.59728%0.279SS*.  trans-60.2134.7-177.123-33.6000111.7S85 E88P83-S85 PolarHBondContact O-N 3.02Å; P83-E88 HydrophobicContact CG-CG 4.17Å; P83-E88 WeakPolarHBondContact O-CG 3.33Å
84M68.2Low69.4Low39 Ų3959.5 Ų59.519%0.19231%0.31CS..  trans-73.254.4-171.1-56.5-176.1-56.500113.7L47 D50 I51 L54 A78 I82L47-M84 HydrophobicContact CB-CE 4.29Å; L47-M84 HydrophobicContact CB-SD 4.27Å; L47-M84 HydrophobicContact CD2-CE 3.34Å; L47-M84 HydrophobicContact CD2-SD 3.92Å; L47-M84 HydrophobicContact CG-CE 4.4Å; D50-M84 HydrophobicContact CB-CE 3.47Å; D50-M84 VanDerWaalsContact CB-CE 3.47Å; D50-M84 WeakPolarHBondContact OD2-CE 3.46Å; I51-M84 HydrophobicContact CD1-SD 4.22Å; I51-M84 HydrophobicContact CG1-SD 3.85Å; L54-M84 HydrophobicContact CD1-CB 4.06Å; L54-M84 VanDerWaalsContact CD1-O 3.24Å; L54-M84 WeakPolarHBondContact CD1-O 3.49Å; A78-M84 HydrophobicContact CB-CG 4.46Å; A78-M84 HydrophobicContact CB-SD 4.17Å; I82-M84 PolarHBondContact O-N 3.43Å
85S64Low68.2Low40 Ų4063.4 Ų63.428%0.2834%0.338SS..  trans-94.9148.3172.688.90000111.1P83 N87 E88 L89P83-S85 PolarHBondContact O-N 3.02Å; S85-N87 PolarHBondContact O-N 3.41Å; S85-N87 VanDerWaalsContact O-N 3.12Å; S85-N87 PolarHBondContact OG-N 3.15Å; S85-E88 PolarHBondContact O-N 3.11Å; S85-E88 VanDerWaalsContact O-N 3.11Å; S85-E88 PolarHBondContact OG-N 3.46Å; S85-E88 VanDerWaalsContact OG-N 3.09Å; S85-L89 PolarHBondContact O-N 2.86Å
86R63.5Low67.3Low157 Ų15764.4 Ų64.459%0.59234%0.343SS*.Hα-helixtrans-58.3-24.5172.3-165.8175.8-175.487.91.8112.4I90R86-I90 WeakPolarHBondContact O-CD1 3.48Å; R86-I90 WeakPolarHBondContact O-CG1 3.47Å; R86-I90 PolarHBondContact O-N 3.43Å
87N58.7Low66.5Low100 Ų10068 Ų6854%0.53537%0.366SS..Hα-helixtrans-76-36.3178.3-61.1-16.2000111.9S85 L89 I90 R91S85-N87 PolarHBondContact O-N 3.41Å; S85-N87 VanDerWaalsContact O-N 3.12Å; S85-N87 PolarHBondContact OG-N 3.15Å; N87-L89 VanDerWaalsContact C-N 3.35Å; N87-I90 PolarHBondContact O-N 2.96Å; N87-R91 PolarHBondContact O-N 3.48Å
88E62.8Low65.6Low35 Ų3572 Ų7216%0.16439%0.387CS..Hα-helixtrans-71.2-30.7174.4-62-32.412800112.7L77 I82 P83 S85 I90 R91 N92L77-E88 HydrophobicContact CD2-CB 4.22Å; I82-E88 HydrophobicContact CG2-CB 3.68Å; I82-E88 HydrophobicContact CG2-CG 3.77Å; P83-E88 HydrophobicContact CG-CG 4.17Å; P83-E88 WeakPolarHBondContact O-CG 3.33Å; S85-E88 PolarHBondContact O-N 3.11Å; S85-E88 VanDerWaalsContact O-N 3.11Å; S85-E88 PolarHBondContact OG-N 3.46Å; S85-E88 VanDerWaalsContact OG-N 3.09Å; E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 PolarHBondContact O-N 3.12Å; E88-R91 PolarHBondContact O-N 3.07Å; E88-R91 IonicContact OE1-CZ 3.4Å; E88-R91 IonicContact OE1-NE 3.32Å; E88-R91 PolarHBondContact OE1-NE 2.97Å; E88-R91 IonicContact OE1-NH2 2.67Å; E88-R91 PolarHBondContact OE1-NH2 3Å; E88-R91 IonicContact OE2-CZ 3.72Å; E88-R91 IonicContact OE2-NE 2.84Å; E88-R91 PolarHBondContact OE2-NE 2.9Å; E88-R91 IonicContact OE2-NH2 3.74Å; E88-N92 WeakPolarHBondContact O-CB 3.33Å; E88-N92 PolarHBondContact O-N 3.42Å; E88-N92 PolarHBondContact O-ND2 3.1Å
89L65.6Low64.8Low18 Ų1871.1 Ų71.19%0.09438%0.379CS..Hα-helixtrans-63.9-31.9171.1-169.872.4000112.4T70 K73 Y74 L77 S85 N87T70-L89 HydrophobicContact CG2-CD2 4.2Å; K73-L89 HydrophobicContact CB-CD1 3.85Å; K73-L89 HydrophobicContact CG-CD1 3.56Å; Y74-L89 HydrophobicContact CD1-CD1 4.48Å; Y74-L89 HydrophobicContact CD2-CD2 4.48Å; Y74-L89 HydrophobicContact CE1-CB 4.26Å; Y74-L89 HydrophobicContact CE1-CD2 4.16Å; Y74-L89 HydrophobicContact CE2-CD2 4.01Å; L77-L89 HydrophobicContact CD1-CB 3.87Å; L77-L89 HydrophobicContact CD1-CD1 3.63Å; L77-L89 HydrophobicContact CD1-CG 4.38Å; L77-L89 HydrophobicContact CG-CD1 4.48Å; S85-L89 PolarHBondContact O-N 2.86Å; N87-L89 VanDerWaalsContact C-N 3.35Å
90I65.7Low63.8Low111 Ų11171 Ų7157%0.56939%0.389SS*.Hα-helixtrans-79.1-38.5175.7-67.9161.5000111.1R86 N87 E88R86-I90 WeakPolarHBondContact O-CD1 3.48Å; R86-I90 WeakPolarHBondContact O-CG1 3.47Å; R86-I90 PolarHBondContact O-N 3.43Å; N87-I90 PolarHBondContact O-N 2.96Å; E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 PolarHBondContact O-N 3.12Å
91R60.7Low63.3Low169 Ų16972.7 Ų72.764%0.63839%0.389SS*.Hα-helixtrans-68.3-53177-82-169-93.9-102.55.9113.2N87 E88 R93N87-R91 PolarHBondContact O-N 3.48Å; E88-R91 PolarHBondContact O-N 3.07Å; E88-R91 IonicContact OE1-CZ 3.4Å; E88-R91 IonicContact OE1-NE 3.32Å; E88-R91 PolarHBondContact OE1-NE 2.97Å; E88-R91 IonicContact OE1-NH2 2.67Å; E88-R91 PolarHBondContact OE1-NH2 3Å; E88-R91 IonicContact OE2-CZ 3.72Å; E88-R91 IonicContact OE2-NE 2.84Å; E88-R91 PolarHBondContact OE2-NE 2.9Å; E88-R91 IonicContact OE2-NH2 3.74Å; R91-R93 PolarHBondContact O-N 3.07Å
92N58.7Low62.4Low35 Ų3578.1 Ų78.119%0.18739%0.388CS..THydrogen-bonded Turntrans-90.222.7-170.8-54.7-78.3000112.5L77 I82 E88 E94 S95 L96L77-N92 HydrophobicContact CD2-CB 4.39Å; I82-N92 HydrophobicContact CD1-CB 4.45Å; E88-N92 WeakPolarHBondContact O-CB 3.33Å; E88-N92 PolarHBondContact O-N 3.42Å; E88-N92 PolarHBondContact O-ND2 3.1Å; N92-E94 PolarHBondContact O-N 2.86Å; N92-E94 VanDerWaalsContact O-N 3.12Å; N92-S95 PolarHBondContact O-N 2.87Å; N92-S95 PolarHBondContact O-OG 3.19Å; N92-L96 HydrophobicContact CB-CD1 4.31Å; N92-L96 HydrophobicContact CB-CD2 4.3Å; N92-L96 HydrophobicContact CB-CG 4.13Å; N92-L96 WeakPolarHBondContact O-CD1 3.25Å; N92-L96 WeakPolarHBondContact O-CG 3.5Å
93R59.9Low60.8Low66 Ų6683.1 Ų83.125%0.24942%0.415CS..THydrogen-bonded Turntrans-58.7-31-166.5-161.9-179.2-168-143.86113.9E2 A3 K73 R91E2-R93 PolarHBondContact O-NH2 2.67Å; A3-R93 PolarHBondContact O-NH2 2.9Å; K73-R93 WeakPolarHBondContact CE-O 3.28Å; K73-R93 PolarHBondContact NZ-O 3.27Å; R91-R93 PolarHBondContact O-N 3.07Å
94E57.2Low59.1Low141 Ų14186.2 Ų86.266%0.65942%0.424SS*.THydrogen-bonded Turntrans-112.44.2-174-60.8179.8172.700112.7K5 N92K5-E94 WeakPolarHBondContact CD-OE1 3.39Å; K5-E94 WeakPolarHBondContact CE-OE1 3.3Å; K5-E94 IonicContact NZ-OE1 2.64Å; K5-E94 PolarHBondContact NZ-OE1 3.28Å; N92-E94 PolarHBondContact O-N 2.86Å; N92-E94 VanDerWaalsContact O-N 3.12Å
95S58.6Low57.2Low84 Ų8489.3 Ų89.359%0.58745%0.448SS*.SBendtrans-13225.2-167.367.90000115.2N92N92-S95 PolarHBondContact O-N 2.87Å; N92-S95 PolarHBondContact O-OG 3.19Å
96L63.6Low55.6Low21 Ų2192.3 Ų92.311%0.1146%0.464CS..PPolyproline II helixtrans-103.4141.1-178.8-73.2164.3000111.8K73 L77 I82 N92K73-L96 HydrophobicContact CG-CD1 4.41Å; L77-L96 HydrophobicContact CD2-CD1 3.94Å; L77-L96 HydrophobicContact CD2-CD2 3.92Å; L77-L96 HydrophobicContact CG-CD1 3.86Å; L77-L96 HydrophobicContact CG-CD2 4.31Å; I82-L96 HydrophobicContact CD1-CD2 4.18Å; N92-L96 HydrophobicContact CB-CD1 4.31Å; N92-L96 HydrophobicContact CB-CD2 4.3Å; N92-L96 HydrophobicContact CB-CG 4.13Å; N92-L96 WeakPolarHBondContact O-CD1 3.25Å; N92-L96 WeakPolarHBondContact O-CG 3.5Å
97P64.1Low53.8Low76 Ų7691 Ų9149%0.49448%0.476SS..PPolyproline II helixtrans-67.9154.7173.430.1-34.7000111.2S76S76-P97 WeakPolarHBondContact CB-O 3.39Å
98L62.3Low52.4Low83 Ų8392.8 Ų92.844%0.43549%0.485SS..PPolyproline II helixtrans-57.5136.7169.5-77.8151.4000109.9E10 F13 A100E10-L98 HydrophobicContact CG-CD2 4.19Å; F13-L98 HydrophobicContact CB-CD2 4.03Å; F13-L98 HydrophobicContact CD1-CD2 4.14Å; F13-L98 HydrophobicContact CG-CD2 4.25Å; L98-A100 PolarHBondContact O-N 2.98Å
99P63.7Low50.9Low6 Ų699.9 Ų99.94%0.03952%0.52CS..  trans-51.9113.3176.6-31.637.7000112.8F13 Y14 F41 L72 V75 Y101F13-P99 HydrophobicContact CE1-CB 3.97Å; F13-P99 HydrophobicContact CE1-CG 4.14Å; Y14-P99 HydrophobicContact CE1-CG 4.23Å; F41-P99 HydrophobicContact CD1-CB 3.79Å; F41-P99 HydrophobicContact CE1-CB 3.54Å; F41-P99 HydrophobicContact CZ-CB 4.42Å; L72-P99 WeakPolarHBondContact O-CG 3.32Å; V75-P99 HydrophobicContact CG1-CB 3.71Å; V75-P99 HydrophobicContact CG1-CG 4.15Å; P99-Y101 PolarHBondContact O-N 3.36Å
100A58.4Low49.3Very low61 Ų61107.1 Ų107.150%0.50455%0.554SS.*  trans-69.6106-17900000109.5Q79 L98Q79-A100 PolarHBondContact NE2-O 3.26Å; L98-A100 PolarHBondContact O-N 2.98Å
101Y63.5Low47.9Very low82 Ų82109.8 Ų109.832%0.32257%0.569SS.*  trans-74.5135.6167.9-166.5-100.2000108.4R40 F41 P99 D103R40-Y101 HydrophobicContact CB-CD2 4.26Å; R40-Y101 HydrophobicContact CB-CE2 3.61Å; R40-Y101 HydrophobicContact CG-CE2 4.32Å; F41-Y101 HydrophobicContact CE1-CD2 4.22Å; F41-Y101 HydrophobicContact CZ-CD2 4.29Å; P99-Y101 PolarHBondContact O-N 3.36Å; Y101-D103 PolarHBondContact O-N 3.03Å
102R52.4Low46.7Very low184 Ų184109.1 Ų109.169%0.69458%0.578SS**  trans-77114.6163.8-74.1-170.2-178.6169.23.3107.3A42 M104A42-R102 HydrophobicContact CB-CG 4.32Å; A42-R102 VanDerWaalsContact CB-NE 3.35Å; R102-M104 PolarHBondContact O-N 2.85Å; R102-M104 VanDerWaalsContact O-N 3.15Å
103D37.2Very low46.1Very low145 Ų145113.8 Ų113.878%0.77561%0.607SS**  trans-46.7124.7173.6-83.6-47.4000110Y101 C105Y101-D103 PolarHBondContact O-N 3.03Å; D103-C105 PolarHBondContact O-N 3.34Å
104M31.9Very low44.9Very low158 Ų158115.6 Ų115.678%0.77863%0.628SS**  trans-71106.7165.7-81.3-155.27100106.6R102 V106R102-M104 PolarHBondContact O-N 2.85Å; R102-M104 VanDerWaalsContact O-N 3.15Å; M104-V106 PolarHBondContact O-N 3.46Å
105C29.9Very low43.8Very low103 Ų103116 Ų11670%0.69664%0.64SS**  trans-44.7141.1166.1-68.10000109.8D103D103-C105 PolarHBondContact O-N 3.34Å
106V30.1Very low42.7Very low104 Ų104115.1 Ų115.163%0.6365%0.645SS**  trans-34.1144.1153.4-89.40000111.1M104 L108M104-V106 PolarHBondContact O-N 3.46Å; V106-L108 HydrophobicContact CG2-CD1 4.24Å; V106-L108 HydrophobicContact CG2-CG 3.95Å; V106-L108 PolarHBondContact O-N 3.32Å
107P24.8Very low41.2Very low128 Ų128122.5 Ų122.583%0.83168%0.679SS**  trans-69.376173.730.7-35.3000110.1M109P107-M109 PolarHBondContact O-N 3.05Å
108L29.4Very low39.8Very low139 Ų139127 Ų12773%0.72869%0.693SS**  trans-67.9115.5169.6-76.1170.4000108V106 E110V106-L108 HydrophobicContact CG2-CD1 4.24Å; V106-L108 HydrophobicContact CG2-CG 3.95Å; V106-L108 PolarHBondContact O-N 3.32Å; L108-E110 PolarHBondContact O-N 3.44Å
109M31.1Very low38.5Very low183 Ų183128 Ų12890%0.90171%0.707SS**  trans-77.193.8173.6-68.9167.646.200109.4P107P107-M109 PolarHBondContact O-N 3.05Å
110E31.7Very low37.1Very low171 Ų171131.6 Ų131.680%0.79973%0.732SS**  trans-146.2125.3160.1-118158.4171.300110.3L108L108-E110 PolarHBondContact O-N 3.44Å
111N36.4Very low36.3Very low166 Ų166137.8 Ų137.889%0.88875%0.75SS**  trans-104.597.4174.3-72.4-63.1000107.4V113N111-V113 PolarHBondContact O-N 2.99Å
112D36.7Very low35.1Very low155 Ų155137.3 Ų137.383%0.82977%0.77SS**  trans-64.1121.5172-79.2-51.9000110.9
113V46.1Very low34.6Very low133 Ų133134.8 Ų134.881%0.80678%0.778SS**  trans-127.5108160.2-179.90000107.5N111N111-V113 PolarHBondContact O-N 2.99Å
114P33.1Very low34.5Very low105 Ų105132.7 Ų132.768%0.68278%0.78SS**  trans-81.3168.4-179.733.4-35.8000112.3
115T34Very low34.8Very low148 Ų148130.5 Ų130.591%0.90878%0.781SS**  trans105.5132.8168.8-44.20000114.7
116G35.7Very low35.2Very low67 Ų67130.7 Ų130.769%0.69179%0.789SS**  trans110.170.7157.900000117.4
117E32.7Very low35.5Very low176 Ų176129.3 Ų129.382%0.82280%0.796SS**  24.5129.6127.9-74.9172.6-159.200121.9
118H35Very low36.1Very low170 Ų170129.6 Ų129.679%0.78779%0.791SS**  trans72.4104.4143.6-65-55.2000122.6
119S35.4Very low36.5Very low105 Ų105133.9 Ų133.973%0.73480%0.799SS**  80.5101.5124.7-133.20000121.7
120S34.3Very low36.9Very low80 Ų80130.5 Ų130.556%0.55979%0.793SS**  46.9111.1125.765.20000121.2
121H41.6Very low36.8Very low192 Ų192129.4 Ų129.489%0.88979%0.793SS**  149.4143116.9-81-68.4000113.9
122G37.8Very low37Very low72 Ų72127.8 Ų127.874%0.74279%0.789SS**  trans93.8105151.400000118.2
123P42.1Very low36.7Very low131 Ų131125.3 Ų125.385%0.85178%0.775SS**  trans-101.9139.3171.635.9-29.6000113.3
124A35.2Very low36.1Very low100 Ų100126.3 Ų126.383%0.82677%0.769SS**  trans-166.4148.3156.600000114.7
125S37.5Very low36.2Very low113 Ų113130.2 Ų130.279%0.7978%0.778SS**  trans78.495.1146-162.30000122.1
126A37.7Very low36Very low106 Ų106132.8 Ų132.888%0.87678%0.777SS**  65.4139.5129.200000121.9
127G38Very low35.6Very low75 Ų75141.3 Ų141.377%0.77379%0.79SS**  trans158.384.5172.400000113.8
128D36.6Very low35.5Very low135 Ų135135.8 Ų135.872%0.72278%0.781SS**  trans-29.4147.9176.9-51.7-52000119
129Y38.3Very low35.4Very low228 Ų228139.4 Ų139.489%0.89479%0.787SS**  -175.315398.1-97.9-70.6000112.2
130S38.9Very low35.3Very low112 Ų112142.6 Ų142.678%0.78379%0.794SS**  trans-109.4160.3-170.655.40000114.8
131N30.5Very low35Very low149 Ų149144.2 Ų144.280%0.79781%0.805SS**  trans-82131.7-172.8174.8-1.5000112.9D133N131-D133 PolarHBondContact OD1-N 3.17Å
132V39.4Very low34.4Very low132 Ų132143.4 Ų143.480%0.880%0.801SS**  trans-136.591.7164.1-171.60000112.4
133D31.4Very low34.1Very low102 Ų102148.5 Ų148.555%0.54580%0.802SS.*  trans33.2128.2134.2-118.712.7000123.3N131N131-D133 PolarHBondContact OD1-N 3.17Å
134K32.8Very low33.7Very low155 Ų155151.7 Ų151.767%0.67481%0.808SS**  trans41.8106.4139.6-62.2172.2-17179.20119.8
135Q34.4Very low33.4Very low186 Ų186157.7 Ų157.787%0.86981%0.809SS**  173.7129.2123.7-97.6153.295.200111.4
136F31.8Very low33.1Very low203 Ų203156.9 Ų156.989%0.8980%0.804SS**  trans-171.796.6141.9-107.4-64.9000112.1
137Y26.6Very low33.1Very low245 Ų245161.3 Ų161.396%0.96180%0.803SS**  trans-147.7101.9161.7-118-82.1000107.6
138G29.8Very low32.6Very low61 Ų61165 Ų16563%0.62980%0.8SS**  trans170.8118.6-179.100000116.6
139R32.7Very low32.6Very low246 Ų246166.8 Ų166.893%0.92881%0.81SS**  trans42.1107.4149-56.9177.2-177.5171.11118.5
140I34.5Very low32.3Very low171 Ų171164.2 Ų164.288%0.87781%0.806SS**  -128.4115.6127.6-59.4-177.2000109
141C28.2Very low32.1Very low115 Ų115166 Ų16678%0.77781%0.813SS**  trans-129.6110.2162.8-72.20000107.1
142H28.7Very low32.1Very low175 Ų175163.2 Ų163.281%0.8181%0.81SS**  trans-178.6127.7142.8-101.8-53.2000114.4
143K31.2Very low32.1Very low179 Ų179162.9 Ų162.978%0.77881%0.808SS**  62.496121.6-161.6179.8-172.7179.20118.5
144M34Very low32.4Very low197 Ų197164 Ų16497%0.9781%0.814SS**  trans-120.3129.5142.3-81.2-63.9-132.500109.9
145R27.7Very low32.5Very low226 Ų226162.9 Ų162.985%0.85382%0.815SS**  trans-146.7154.5171.6170.9175.7174.2-173.2-2.2107.4
146S31.2Very low32.3Very low97 Ų97164 Ų16468%0.67881%0.812SS**  trans83138.7179.7-1370000111.7
147K37.6Very low32.4Very low198 Ų198160 Ų16086%0.86180%0.804SS**  cis-129.915428.7-66.3171.3176.7175.80114.7
148E28.8Very low33Very low152 Ų152155.8 Ų155.871%0.7180%0.797SS**  trans-68.9159.6157.5-69.7149.492.700110.9
149N36.9Very low33Very low173 Ų173162.3 Ų162.393%0.92580%0.803SS**  trans-153.7144.5141.1-105.4-17.9000109.3
150Q31.5Very low32.9Very low174 Ų174156.9 Ų156.981%0.81379%0.788SS**  trans-96.8143.9-173.8-70.1161.4-23.200111.7
151T34.5Very low32.8Very low151 Ų151153.7 Ų153.793%0.92678%0.78SS**  trans-149.2144.9131.30.70000109.3
152A31.2Very low32.8Very low89 Ų89152.3 Ų152.374%0.73678%0.777SS**  trans-100.3167-178.900000111.2
153V38.4Very low32.9Very low125 Ų125152.5 Ų152.576%0.75878%0.779SS**  -178.6111.4115.6149.20000110.9
154N37.1Very low32.9Very low125 Ų125152.5 Ų152.567%0.66878%0.781SS**  trans61.5130.5141.5-60.7-8.7000124
155N35.1Very low32.6Very low132 Ų132147.9 Ų147.971%0.70677%0.768SS**  trans81.2139.5131.3-74.3-15.4000120.4
156R30.9Very low32.6Very low211 Ų211143.4 Ų143.480%0.79677%0.77SS**  cis-171.4158.7-15.8-141.6-178.5-170.1-148.74.1110.3
157V34.7Very low32.4Very low118 Ų118148.3 Ų148.372%0.71578%0.78SS**  trans69.3138.1162.21800000114.2
158L38.3Very low31.9Very low156 Ų156144 Ų14482%0.81778%0.775SS**  cis-140.9122.27.8-156.260.7000104
159R30.2Very low31.9Very low199 Ų199142.1 Ų142.175%0.75178%0.778SS**  48.8143.260.6-98.4175171.7-123.2-4.5113.6
160E30.6Very low31.7Very low132 Ų132145 Ų14562%0.61778%0.776SS**  cis-153.9175.412-155.3142172.500112.3
161S31.9Very low31.8Very low103 Ų103142.4 Ų142.472%0.7277%0.774SS**  trans64.8111.9171.9-55.60000117
162A27.8Very low31.8Very low86 Ų86143.6 Ų143.671%0.71177%0.767SS**  cis90.3159.74400000113.4
163E31.7Very low31.7Very low180 Ų180144.9 Ų144.984%0.84177%0.769SS**  trans69.1146.2-174.5-61159.7-130.500114.3
164E31.1Very low31.4Very low178 Ų178148 Ų14883%0.83277%0.768SS**  cis-151.2-164.7-23-131.1-174.6-159.200110.3
165S26.8Very low31.3Very low100 Ų100148.9 Ų148.970%0.69977%0.774SS**  trans-70.2128.9-171.764.40000115.2F167S165-F167 PolarHBondContact O-N 3.08Å
166C29.4Very low31.3Very low132 Ų132151 Ų15189%0.89278%0.779SS**  trans-91.977.7167.6-165.40000111.6
167F25.6Very low31.6Very low200 Ų200149.7 Ų149.788%0.87778%0.782SS**  trans-129.357.7177.1-144.9-60.3000111.3S165S165-F167 PolarHBondContact O-N 3.08Å
168S26.8Very low31.7Very low109 Ų109152.5 Ų152.576%0.76279%0.787SS**  trans-164.2171168.162.10000113.5
169S30.1Very low31.6Very low112 Ų112150 Ų15078%0.78378%0.783SS**  trans60.492.3168.8-147.70000117.8
170W32.5Very low31.7Very low233 Ų233148.7 Ų148.788%0.88379%0.79SS**  trans-67.1145.3153-75.633000109.2K172W170-K172 PolarHBondContact O-N 3.43Å; W170-K172 VanDerWaalsContact O-N 3.09Å
171P33.7Very low31.7Very low119 Ų119150.7 Ų150.777%0.77380%0.804SS**  trans-57.2116.5160.5-18.931.6000108.9C173P171-C173 PolarHBondContact O-N 3.34Å
172K33.3Very low31.8Very low176 Ų176151.9 Ų151.977%0.76581%0.807SS**  trans-76.2101.3163.2-68.5179.7-178.6177.30106.8W170 Y174W170-K172 PolarHBondContact O-N 3.43Å; W170-K172 VanDerWaalsContact O-N 3.09Å; K172-Y174 PolarHBondContact O-N 3.14Å
173C29.5Very low32.1Very low116 Ų116156.4 Ų156.478%0.78481%0.813SS**  trans-58.6126.9153.5-58.90000106.5P171P171-C173 PolarHBondContact O-N 3.34Å
174Y32.7Very low32.1Very low190 Ų190155.7 Ų155.775%0.74581%0.81SS**  trans-76.6135.8174.2-84.8-103.4000108.9K172 E176K172-Y174 PolarHBondContact O-N 3.14Å; Y174-E176 PolarHBondContact O-N 3.23Å; Y174-E176 VanDerWaalsContact O-N 3.17Å
175D34Very low32.2Very low145 Ų145152.4 Ų152.478%0.77580%0.802SS**  trans-8087.2169-65.8-50.8000107.6E177D175-E177 PolarHBondContact O-N 3.01Å
176E36.2Very low32.5Very low176 Ų176153.8 Ų153.882%0.82280%0.8SS**THydrogen-bonded Turntrans-73.633.7-174-64.9-173.3151.400114.7Y174Y174-E176 PolarHBondContact O-N 3.23Å; Y174-E176 VanDerWaalsContact O-N 3.17Å
177E37.8Very low32.8Very low183 Ų183156 Ų15686%0.85580%0.795SS**THydrogen-bonded Turntrans-125.818.9173.6-67.3-170162.200112.8D175D175-E177 PolarHBondContact O-N 3.01Å
178Q36.6Very low32.8Very low177 Ų177151.5 Ų151.583%0.82779%0.786SS**SBendtrans-121.723.1-180-74-84.7-4800113.1
179S35.6Very low33.1Very low103 Ų103154.1 Ų154.172%0.7279%0.791SS**  trans-12417.8-173.1-61.90000115.9
180L32.8Very low33.2Very low173 Ų173156.3 Ų156.391%0.90679%0.794SS**SBendtrans-118.567.2167.3-72.8178.4000111.1
181L30.2Very low33.3Very low174 Ų174150.8 Ų150.891%0.91179%0.791SS**  trans-177.878.1155.3-102.8165.5000108.6
182T33.9Very low33.1Very low127 Ų127151.8 Ų151.878%0.77979%0.794SS**  trans-70.9142.5170.343.40000110.8E184T182-E184 PolarHBondContact O-N 3.35Å
183E33.1Very low33Very low182 Ų182148.8 Ų148.885%0.8580%0.796SS**  trans-61.5101.7178.6-62.8174.6119.300112.1T185E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å
184E33.7Very low33Very low164 Ų164153.4 Ų153.477%0.76680%0.798SS**  trans-75.589.3164.7-160.2-179.6-171.500109.2T182 I186T182-E184 PolarHBondContact O-N 3.35Å; E184-I186 HydrophobicContact CG-CD1 4.32Å; E184-I186 HydrophobicContact CG-CG1 3.86Å; E184-I186 PolarHBondContact O-N 3.26Å
185T32.4Very low33.2Very low109 Ų109151 Ų15167%0.66980%0.798SS**  trans-77.472.8179.5-56.20000110.2E183 K187E183-T185 VanDerWaalsContact C-N 3.32Å; E183-T185 PolarHBondContact O-N 3.47Å; T185-K187 PolarHBondContact O-N 2.8Å; T185-K187 VanDerWaalsContact O-N 3.1Å
186I32.5Very low33.3Very low129 Ų129150 Ų15066%0.66279%0.793SS**  trans-70.8103.4170.4-53.8-176.8000108.3E184E184-I186 HydrophobicContact CG-CD1 4.32Å; E184-I186 HydrophobicContact CG-CG1 3.86Å; E184-I186 PolarHBondContact O-N 3.26Å
187K35.1Very low33.2Very low179 Ų179149.1 Ų149.178%0.77879%0.789SS**  trans-84.9137.4156-77.7-170.9173.2-173.50108.6T185T185-K187 PolarHBondContact O-N 2.8Å; T185-K187 VanDerWaalsContact O-N 3.1Å
188P27.4Very low33.1Very low105 Ų105146.3 Ų146.368%0.68278%0.779SS**  trans-81142.9-176.833-34.6000111.3
189D32.8Very low33Very low164 Ų164147.9 Ų147.988%0.87778%0.784SS**  trans-141.1122154.2-92.9-49000108.7
190N31.7Very low32.8Very low159 Ų159149 Ų14985%0.8579%0.786SS**  trans-89119.1177.5-78.2-31.7000110
191S33.9Very low32.6Very low116 Ų116145.7 Ų145.781%0.81178%0.778SS**  trans-176.5108.1137.827.80000115.1
192V29.1Very low32.6Very low140 Ų140148.7 Ų148.785%0.84878%0.777SS**  trans21.8111.7132.9-170.30000118.6
193S32.2Very low32.3Very low113 Ų113150 Ų15079%0.7978%0.779SS**  -177.8160110.1420000112.5
194Y29.1Very low32.2Very low214 Ų214146.2 Ų146.284%0.83977%0.773SS**  trans-89.7144.3177.8-72.9-112.6000110.7
195D37.5Very low32Very low138 Ų138145.4 Ų145.474%0.73877%0.774SS**  162.1148.8101.7-96.4-40.2000115.6
196N36.7Very low31.9Very low124 Ų124150.7 Ų150.766%0.66378%0.782SS**  trans54100.5151.4-68-40.1000123.3
197E33.1Very low31.7Very low158 Ų158154.4 Ų154.474%0.73879%0.788SS**  67.6149.4112.4-73.6-160.7178.800124.6
198N35.8Very low31.4Very low124 Ų124152.7 Ų152.766%0.66379%0.785SS**  trans6789.2148.1-67.6-36.9000120.9
199K33.8Very low31.6Very low210 Ų210153.2 Ų153.291%0.91379%0.789SS**  -179.4167.896.4-98.7158.6-176.1165.50114.9
200T31.4Very low31.4Very low127 Ų127152.7 Ų152.778%0.77979%0.786SS**  trans-105.6160.9-168.956.50000114.5
201S29.4Very low31.5Very low104 Ų104154.9 Ų154.973%0.72779%0.788SS**  trans99129.2145.4-52.20000121.1
202R30.9Very low31.5Very low237 Ų237154.5 Ų154.589%0.89479%0.785SS**  trans86.8106151.4-73179.9172.2179.8-2.3121.6
203N27.1Very low31.7Very low154 Ų154158 Ų15882%0.82479%0.789SS**  trans25.7124.7131.5-59.725.3000120.7
204S30.7Very low31.6Very low103 Ų103164.3 Ų164.372%0.7280%0.796SS**  -160.2145.1112.555.70000111.7
205D29.3Very low31.9Very low147 Ų147164.3 Ų164.379%0.78680%0.8SS**  trans-84.3121.1-169.2-36.8-105.1000113.1
206W30.5Very low31.5Very low220 Ų220161.2 Ų161.283%0.83380%0.801SS**  trans-146.8113.3170.2-83.881.2000113.9
207W29.4Very low31.5Very low207 Ų207162.2 Ų162.278%0.78481%0.811SS**  trans12185.9143-16.158.7000119.2
208I27.9Very low31.6Very low143 Ų143162.4 Ų162.473%0.73381%0.812SS**  trans-84.9126.2159.6-61173.6000110.6
209P31Very low31.5Very low116 Ų116163 Ų16375%0.75381%0.814SS**  trans-100.196.4175.434.8-28.9000113
210N28.8Very low31.6Very low152 Ų152160.1 Ų160.181%0.81381%0.809SS**  trans-71.3125172.4-116.5-43.1000111.6
211K35.1Very low31.8Very low206 Ų206159.2 Ų159.290%0.89680%0.803SS**  trans-109.877.1172.6-81.9-176.3177.5171.30111.7
212S33.6Very low32.2Very low108 Ų108160 Ų16076%0.75580%0.8SS**PPolyproline II helixtrans-75147.8165.653.60000111.3
213F32.4Very low32.6Very low213 Ų213156.8 Ų156.893%0.93479%0.794SS**PPolyproline II helixtrans-69.1132.6-178.3-109-104.3000111.8K215F213-K215 PolarHBondContact O-N 3.42Å
214R31.4Very low33.1Very low246 Ų246154.7 Ų154.793%0.92879%0.792SS**PPolyproline II helixtrans-71.1121.6165.3-70.4-169.4-174-153.63.9110.3
215K34Very low33.4Very low214 Ų214154.4 Ų154.493%0.9379%0.79SS**  trans-149.4110.2144.4-147165.8-172.4175.50108F213F213-K215 PolarHBondContact O-N 3.42Å
216G30.1Very low33.8Very low73 Ų73152.6 Ų152.675%0.75379%0.789SS**  trans-108.9156.2-166.500000114.1
217V36.7Very low34Very low145 Ų145153.2 Ų153.288%0.87979%0.791SS**  trans-137.7158.4159.9-178.90000106.8
218H35.5Very low34.4Very low162 Ų162148.9 Ų148.975%0.7579%0.792SS**  trans-53.4136.3179.8-81.3-123.2000112.4
219L33.5Very low34.6Very low136 Ų136147.4 Ų147.471%0.71279%0.794SS**  61.999.872.2-69.7171.3000113.7
220N35.3Very low34.9Very low150 Ų150145.2 Ų145.280%0.80279%0.792SS**  -170.3113.1110.3-81.4-21.2000109
221T35Very low35.1Very low108 Ų108144.4 Ų144.466%0.66379%0.793SS**  86153.483.5-110000115.6
222D39Very low35.3Very low121 Ų121142.4 Ų142.465%0.64779%0.791SS**  trans80.9105.2165.7-52.6-7.2000117.8
223H38.1Very low35.3Very low168 Ų168142.9 Ų142.978%0.77879%0.789SS**  76.6127.783.1-58.5-17.3000111.9
224S38.2Very low35.3Very low111 Ų111137.7 Ų137.778%0.77678%0.78SS**  cis-172.8178.422.5-98.80000108.7
225S37.2Very low35.6Very low97 Ų97134.2 Ų134.268%0.67877%0.774SS**  cis-173.8175.8-23.462.40000109.4
226S37.5Very low35.6Very low109 Ų109130 Ų13076%0.76276%0.762SS**  trans67.7130.9166.7-510000118.3
227R35.2Very low35.8Very low233 Ų233131.2 Ų131.288%0.87976%0.758SS**  cis94.292.412.6-59.4-171.867.6-164.70.4119.4
228S36.4Very low35.6Very low116 Ų116131.2 Ų131.281%0.81175%0.753SS**  trans-168.6138.4135.951.90000108.6
229S33.1Very low35.5Very low112 Ų112129.1 Ų129.178%0.78376%0.757SS**  cis101.1121.412.7-55.70000115.3
230G37.6Very low35.5Very low69 Ų69126.7 Ų126.771%0.71175%0.751SS**  trans109.9107.6-171.300000110.4
231T33.4Very low35.5Very low135 Ų135125.4 Ų125.483%0.82875%0.749SS**  cis80.910328.5-43.40000114.4
232I38Very low35.4Very low165 Ų165128.8 Ų128.885%0.84675%0.751SS**  trans-175.7163.4134.7-96.5158.5000110.8
233T34.8Very low35.1Very low117 Ų117131.9 Ų131.972%0.71876%0.759SS**  trans-64.8148-16251.60000119.2
234S32.3Very low34.7Very low105 Ų105127.8 Ų127.873%0.73475%0.754SS**  trans39.1109.2132-46.20000121
235Q37.8Very low34.1Very low173 Ų173127.9 Ų127.981%0.80876%0.755SS**  -174.3149.3114-104.9178.7-100.800112.9
236D33.7Very low34Very low126 Ų126130 Ų13067%0.67476%0.764SS**  trans52.2131.8144.3-52.3-18.7000124.4
237S34.1Very low33.6Very low97 Ų97132.2 Ų132.268%0.67877%0.765SS**  trans79.9110.2137.2-66.10000122.9
238N31.9Very low33.6Very low146 Ų146129.6 Ų129.678%0.78176%0.763SS**  68.898.8121.2-54.5-16.6000121.4
239S32.9Very low33.4Very low117 Ų117132.1 Ų132.182%0.81876%0.762SS**  -161.1118.2125.5-85.80000109.7
240S33.8Very low33.3Very low86 Ų86133 Ų13360%0.60177%0.767SS**  71.4116.992.2-162.10000112.2
241T35.4Very low33Very low123 Ų123139.1 Ų139.176%0.75577%0.774SS**  -155.6111.482.8-67.30000111.8
242Y33.5Very low32.9Very low179 Ų179140.3 Ų140.370%0.70278%0.775SS**  trans42.8146.9144.2-63.1-89.9000121.8
243F31.5Very low32.4Very low186 Ų186140.2 Ų140.282%0.81678%0.775SS**  cis-142.1168.415.4-113.6-66.8000112.7
244A30.8Very low32.2Very low82 Ų82144 Ų14468%0.67878%0.781SS**  trans-63158.8-177.300000114.4
245S26.1Very low32Very low113 Ų113148 Ų14879%0.7979%0.785SS**  cis71.1109.217-60.80000118.6
246T33.5Very low31.7Very low141 Ų141147 Ų14787%0.86579%0.785SS**  trans-140.7142.2159.5-32.10000110
247I30.2Very low31.6Very low155 Ų155148.3 Ų148.380%0.79579%0.787SS**  trans-132.2133.1-178.9-60.9166.1000107.8
248E35.3Very low31.3Very low179 Ų179150.2 Ų150.284%0.83679%0.789SS**  trans-142.4118.9150.7-75.9-161.4167.800107
249E31.2Very low31.4Very low169 Ų169149.9 Ų149.979%0.7979%0.793SS**  61.1104.592.6-64.6-141141.900115.3
250C31.2Very low31.1Very low130 Ų130149.8 Ų149.888%0.87879%0.792SS**  -171.7150.5109.6-100.20000113
251K31.5Very low31Very low198 Ų198151.4 Ų151.486%0.86180%0.798SS**  trans-84.5131.3174.3-62.4156.4-176.4160.80109.5
252N31.4Very low30.6Very low159 Ų159158 Ų15885%0.8581%0.809SS**  trans-155.4115.8150.9-114.3-53000111.9
253I27.6Very low30.5Very low163 Ų163153.9 Ų153.984%0.83681%0.806SS**  trans-91.8117.8175.2-62.4168.5000107.9
254K31.4Very low30.3Very low196 Ų196155.2 Ų155.285%0.85281%0.807SS**  trans-141.6122.3159.1-100-178.5179.5177.30110.8
255K27.1Very low30.4Very low191 Ų191161 Ų16183%0.8381%0.811SS**  trans-73.1134.6167.3-69.2-179173.3-174.60109.8
256L32.1Very low30.8Very low152 Ų152161.4 Ų161.480%0.79681%0.805SS**  trans-142.8120139.3-84.1115.6000104.3
257H31.9Very low30.7Very low153 Ų153161.6 Ų161.671%0.70880%0.8SS**  54.498.590.5-72.5-60.6000111
258D27.9Very low31.3Very low136 Ų136160 Ų16073%0.72780%0.8SS**  77.396.485.2-77.9-45000112.2
259T32.4Very low31.1Very low140 Ų140158.8 Ų158.886%0.85980%0.799SS**  trans-153.3101.4140.647.30000109.5
260S27.6Very low31.2Very low114 Ų114159.7 Ų159.780%0.79780%0.802SS**  trans-70140148.2-610000108.7
261V30.7Very low31.3Very low120 Ų120158.9 Ų158.973%0.72780%0.798SS**  trans-147.1110136.8178.50000108.1
262W27.8Very low31.4Very low263 Ų263155.3 Ų155.3100%0.99680%0.795SS**  trans-93.8121.5145.1-82.464.1000105.8
263S30.4Very low31.6Very low91 Ų91154.4 Ų154.464%0.63679%0.79SS**  trans-114.1116177.257.10000110.1
264Y27.5Very low31.9Very low214 Ų214154.2 Ų154.284%0.83979%0.786SS**  trans-54.5150.2153.5-115.2-110.4000109.1
265R34.4Very low31.8Very low204 Ų204152.4 Ų152.477%0.7779%0.785SS**  trans-114101.8164.8-82.9-172.6172.6-85.47.5109.6
266D33Very low32.1Very low122 Ų122148.6 Ų148.665%0.65278%0.782SS**  trans53.185.9130.7-37.6-39.7000116.7
267L33.2Very low31.9Very low145 Ų145149.8 Ų149.876%0.75978%0.784SS**  trans-77.3138.2147.6-81.782.3000108.4
268P42.5Very low32Very low122 Ų122150.6 Ų150.679%0.79279%0.792SS**  trans-82.4113.7167.6-5.823.8000110.5H270P268-H270 PolarHBondContact O-N 2.88Å
269D31Very low32.1Very low152 Ų152152.3 Ų152.381%0.81380%0.795SS**  trans-71.9122.1168.3-77.1-44.4000110.9
270H33Very low32.3Very low188 Ų188150.8 Ų150.887%0.8779%0.788SS**  trans-130.5118.4158.1-88.2-34000110.7P268P268-H270 PolarHBondContact O-N 2.88Å
271S32.5Very low32.5Very low113 Ų113155.9 Ų155.979%0.7980%0.795SS**  trans-68.3142.9-176.850.10000112.8
272P33.7Very low32.6Very low123 Ų123154.2 Ų154.280%0.79980%0.802SS**  trans-80.2139.8172.233.5-33.2000111.2
273D36Very low32.7Very low140 Ų140147.1 Ų147.175%0.74979%0.793SS**  trans-162.4153.3149.6-138.7-20.8000113.3
274Q34.6Very low33Very low159 Ų159147.7 Ų147.774%0.74380%0.795SS**  trans56.7115.3169.7-64.9169.57200117.8
275L29.2Very low33.1Very low158 Ų158142.7 Ų142.783%0.82779%0.787SS**  cis99.3151.449.2-82171.7000113.7
276S32.3Very low33.1Very low111 Ų111139.6 Ų139.678%0.77679%0.785SS**  trans62.8114.6-166.466.10000114.3
277E28.7Very low33.1Very low178 Ų178141.7 Ų141.783%0.83279%0.791SS**  cis80.1105.938-165.2-178.6-163.100114.2
278I33Very low33Very low169 Ų169139.5 Ų139.587%0.86779%0.788SS**  trans-163.7137.3140.6-99.2150.1000108.1
279Q31.3Very low32.3Very low173 Ų173141.1 Ų141.181%0.80879%0.789SS**  trans-102.3162.4-174-82.2-86.5-21.200112.4
280P35.6Very low32.6Very low107 Ų107142.1 Ų142.170%0.69579%0.788SS**  trans-90.1170-166.637.2-35.8000114.4
281K32.3Very low32.3Very low221 Ų221139.4 Ų139.496%0.96178%0.78SS**  trans-164.9148.2170.8-105.8159.6-173.2172.70111.8
282G32.8Very low32.1Very low85 Ų85139.1 Ų139.188%0.87677%0.774SS**  trans123.9107.1156.900000117.5
283S29.1Very low31.8Very low114 Ų114139.6 Ų139.680%0.79777%0.77SS**  trans-141.4-170.9166.266.70000107.5
284P37.6Very low31.5Very low104 Ų104136.6 Ų136.668%0.67576%0.76SS**  cis-133.9-153-16.738.1-17.1000112.3
285T30.5Very low31.2Very low109 Ų109137 Ų13767%0.66976%0.762SS**  trans69.9152.716222.90000117.2
286D34.3Very low30.9Very low138 Ų138135 Ų13574%0.73876%0.76SS**  cis-136.6144.617.3-92.8-34000110
287H31.2Very low30.7Very low167 Ų167135.5 Ų135.577%0.77376%0.758SS**  100.4152.858.3-91.6-32.3000116.1
288S31.9Very low30.5Very low99 Ų99134 Ų13469%0.69276%0.756SS**  trans74.7112.3-175-154.60000116.9
289L28.8Very low30.3Very low156 Ų156131.5 Ų131.582%0.81775%0.753SS**  cis82.7145.939.1-62.7173.6000115.9
290Q35.8Very low30.1Very low172 Ų172132.4 Ų132.480%0.80476%0.757SS**  trans91.4135.1175.2-59.5-172.125.100117
291N27.5Very low30Very low131 Ų131134.7 Ų134.770%0.70176%0.764SS**  cis-165.2165.4-26.5-1276.8000110.8
292T27.9Very low29.7Very low107 Ų107132.8 Ų132.866%0.65676%0.756SS**  trans20.6142.2145.960.50000120.7
293D28.4Very low29.5Very low134 Ų134139.8 Ų139.872%0.71776%0.757SS**  cis-167.316628.3-140.1-49.3000115.1
294S28.5Very low29.3Very low77 Ų77141.8 Ų141.854%0.53875%0.754SS.*  trans63.9116.6140.5-80.80000124.7
295Q28.4Very low28.7Very low168 Ų168146.1 Ų146.179%0.78576%0.763SS**  89.2104.5125.4-67.6173.764.700121.7
296C23.9Very low28.4Very low116 Ų116144.8 Ų144.878%0.78476%0.758SS**  13139.4120.3-45.20000117.8
297T26.5Very low28.1Very low120 Ų120145.7 Ų145.774%0.73676%0.762SS**  -170154.557.842.10000114.8
298N25.6Very low27.8Very low148 Ų148145 Ų14579%0.79176%0.764SS**  trans38.2119.1140.4-53.8-6.5000123
299S28.4Very low27.4Very low115 Ų115146.5 Ų146.580%0.80477%0.774SS**  170.8121.3112.736.40000108.7
300E27.7Very low27.3Very low192 Ų192143.8 Ų143.890%0.89777%0.774SS**  64.5101.466.1-72.1-146.1136.100115.2
301D32.6Very low26.9Very low155 Ų155143.5 Ų143.583%0.82977%0.773SS**  trans-149.359.1153.3-134.4-8.1000114.7
302K27.4Very low27Very low181 Ų181146.2 Ų146.279%0.78778%0.779SS**  39.399.5123.8-164.1177.4-167.2166.90119.6
303Y28Very low26.9Very low233 Ų233146.3 Ų146.391%0.91478%0.784SS**  trans-128.5100.5145.5-92.8-87.8000110.9
304Q25.4Very low27.1Very low155 Ų155149.2 Ų149.272%0.72479%0.793SS**  trans-107.1132166.6-102-129.21000109.6S306Q304-S306 PolarHBondContact OE1-OG 3.44Å
305F24.8Very low27.2Very low196 Ų196150.7 Ų150.786%0.8680%0.798SS**  trans-112.491.5165.5-122.5-79.6000108.7
306S23.3Very low27.5Very low81 Ų81150 Ų15057%0.56680%0.8SS**  trans-118120.9174.534.10000109.1Q304Q304-S306 PolarHBondContact OE1-OG 3.44Å
307L28Very low27.9Very low156 Ų156153 Ų15382%0.81780%0.8SS**  trans-126.3100.6176.5-109171.4000109.1
308N25.3Very low28.1Very low153 Ų153158 Ų15882%0.81881%0.805SS**  trans-76.2157.8173.4-76.6-31.8000111.2A310N308-A310 PolarHBondContact O-N 3.1Å
309S23.4Very low28.3Very low130 Ų130161.3 Ų161.391%0.90981%0.807SS**  trans-62.2128.6179.7-51.60000113.1
310A26.5Very low28.2Very low100 Ų100161.5 Ų161.583%0.82680%0.803SS**  trans-150.5148.2153.500000110.8N308N308-A310 PolarHBondContact O-N 3.1Å
311E27.4Very low28.5Very low166 Ų166158 Ų15878%0.77680%0.799SS**  trans-54.3136.1-176.2-44.5166.3137.900114.3
312K30.2Very low28.4Very low187 Ų187158.3 Ų158.381%0.81380%0.795SS**  -174.4158.1102.1-98145.6-166.61630114
313S25.8Very low28.5Very low109 Ų109155.5 Ų155.576%0.76280%0.798SS**  trans-63.6142.4179.650.80000113.9
314E32.7Very low28.7Very low196 Ų196156 Ų15692%0.91680%0.798SS**  -151.7157.2123-124174.3-166.800114.5
315V30.8Very low28.8Very low107 Ų107154.2 Ų154.265%0.64880%0.802SS**  trans-94.7136-161.5173.10000111.6K317V315-K317 HydrophobicContact CG1-CB 3.91Å
316N34.8Very low29Very low155 Ų155150 Ų15083%0.82980%0.798SS**  trans-148.145.3157.6-101.1-46.6000116.6
317K31Very low29.3Very low178 Ų178151.4 Ų151.477%0.77481%0.807SS**  28.596.1128.3-173.3-175.4-176.7177.30118.2V315V315-K317 HydrophobicContact CG1-CB 3.91Å
318W30.1Very low29.4Very low224 Ų224153.1 Ų153.185%0.84881%0.808SS**  trans-131.694.4152.7-82.6100.9000113.9
319R29.9Very low29.6Very low219 Ų219151.7 Ų151.783%0.82681%0.808SS**  trans47.2100.4152.3-158.6173.7-66.9-145.91119
320V28.1Very low29.8Very low119 Ų119156 Ų15672%0.72181%0.81SS**  trans-92.3149163.9169.70000111
321S33.8Very low29.8Very low117 Ų117156.3 Ų156.382%0.81881%0.807SS**  trans-136.685.7156.155.50000109
322H30.4Very low29.8Very low162 Ų162157 Ų15775%0.7581%0.81SS**  65.4101.695.1-85.225.5000114.9
323C29.5Very low29.7Very low123 Ų123158.6 Ų158.683%0.83181%0.812SS**  -153.7107129.8-1020000112.6
324R32Very low29.8Very low243 Ų243161.6 Ų161.692%0.91782%0.82SS**  trans56.2108.5145.2-57.9-176.5178.7-132.7-4.3119.5
325S26.3Very low29.7Very low117 Ų117158.4 Ų158.482%0.81881%0.809SS**  trans-67.8152.2162.6-440000113
326S30.6Very low29.9Very low109 Ų109158.7 Ų158.776%0.76281%0.811SS**  trans-138.4136.114263.70000107.8
327S29Very low29.9Very low110 Ų110162.4 Ų162.477%0.76982%0.815SS**  trans-94.6122.8-161.3-540000112.7
328F30.1Very low30.3Very low191 Ų191157.7 Ų157.784%0.83880%0.804SS**  trans-137.3158.1162.7-81.1-80.6000110.7
329P30.2Very low31.2Very low124 Ų124151.2 Ų151.281%0.80579%0.786SS**  trans-70.5149.7-161-23.235.6000116.5S331P329-S331 PolarHBondContact O-N 3.42Å; P329-S331 VanDerWaalsContact O-N 3.17Å
330F25.7Very low32.2Very low219 Ų219150.8 Ų150.896%0.96178%0.784SS**SBendtrans-61.7102.7169.8-113.7-110000111.5
331S26.8Very low33.9Very low108 Ų108149.9 Ų149.976%0.75578%0.775SS**  trans-170.146.7158.1-156.40000114.3P329P329-S331 PolarHBondContact O-N 3.42Å; P329-S331 VanDerWaalsContact O-N 3.17Å
332Q27.8Very low35.7Very low180 Ų180149.4 Ų149.484%0.84176%0.76SS**  trans-162.8169.6171.3-107146.435.700110.2
333Y28.6Very low37.7Very low221 Ų221147.7 Ų147.787%0.86775%0.75SS**  trans70.956-177.1-58.7-81.9000117.6
334N28.4Very low39.7Very low171 Ų171149.8 Ų149.891%0.91474%0.741SS**  trans-10087.9150-91.2-25000109.4
335N29.6Very low41.9Very low129 Ų129142.9 Ų142.969%0.6972%0.717SS**  trans-159.8160.9169.5-137.4-38.5000113.8
336T35.1Very low44.2Very low113 Ų113142.7 Ų142.769%0.69370%0.703SS**  trans67.252.7170.461.40000119.1
337Y33.9Very low46.6Very low234 Ų234145.4 Ų145.492%0.91870%0.702SS**  trans-12554.6155-96.9-80.8000112.3N339Y337-N339 PolarHBondContact O-N 3.36Å
338C40.4Very low49Very low79 Ų79146.3 Ų146.353%0.53469%0.688SS.*  trans-55.8130.7170.1-49.80000110
339N49.1Very low51.4Low88 Ų88137.4 Ų137.447%0.47165%0.649SS.*  trans-71.9137.7-172.7-170-23.9000110.4Y337 N341 E342 K343Y337-N339 PolarHBondContact O-N 3.36Å; N339-N341 PolarHBondContact O-N 3.15Å; N339-N341 PolarHBondContact OD1-N 3.46Å; N339-N341 VanDerWaalsContact OD1-N 3.14Å; N339-E342 HydrophobicContact CB-CB 4.17Å; N339-E342 PolarHBondContact N-OE2 3.06Å; N339-E342 VanDerWaalsContact O-CB 3.28Å; N339-E342 WeakPolarHBondContact O-CB 3.22Å; N339-E342 PolarHBondContact O-N 3.34Å; N339-K343 PolarHBondContact O-N 2.9Å
340R50.9Low53.7Low209 Ų209134.6 Ų134.679%0.78964%0.637SS**THydrogen-bonded Turntrans-59.9-20177-71.7-172.4-179.5-1761113.2R344R340-R344 VanDerWaalsContact O-CD 3.31Å; R340-R344 WeakPolarHBondContact O-CD 3.46Å; R340-R344 VanDerWaalsContact O-CG 3.29Å; R340-R344 WeakPolarHBondContact O-CG 3.45Å
341N64.5Low56.2Low100 Ų100128.3 Ų128.354%0.53562%0.62SS.*THydrogen-bonded Turntrans-79.6-31.1175.8-63.8-13.9000112.4N339 R344 K345N339-N341 PolarHBondContact O-N 3.15Å; N339-N341 PolarHBondContact OD1-N 3.46Å; N339-N341 VanDerWaalsContact OD1-N 3.14Å; N341-R344 WeakPolarHBondContact O-CB 3.34Å; N341-R344 PolarHBondContact O-N 3.42Å; N341-K345 PolarHBondContact O-N 2.97Å
342E70.7Confident58.6Low108 Ų108124.5 Ų124.551%0.50559%0.59SS.*Hα-helixtrans-69.5-51.6-177.9-164.7161.4-126.500110.4N339 R344 K345 E346N339-E342 HydrophobicContact CB-CB 4.17Å; N339-E342 PolarHBondContact N-OE2 3.06Å; N339-E342 VanDerWaalsContact O-CB 3.28Å; N339-E342 WeakPolarHBondContact O-CB 3.22Å; N339-E342 PolarHBondContact O-N 3.34Å; E342-R344 PolarHBondContact O-N 3.42Å; E342-K345 CarbonylContact O-C 3.59Å; E342-K345 WeakPolarHBondContact O-CA 3.17Å; E342-K345 WeakPolarHBondContact O-CB 3.44Å; E342-K345 PolarHBondContact O-N 3.42Å; E342-E346 WeakPolarHBondContact O-CG 3.39Å; E342-E346 PolarHBondContact O-N 2.84Å
343K72.8Confident61Low125 Ų125117.4 Ų117.454%0.54356%0.562SS.*Hα-helixtrans-61.6-18.6172.5-58.8-158.8171.5-163.30114.6N339 E346 K347N339-K343 PolarHBondContact O-N 2.9Å; K343-E346 WeakPolarHBondContact CA-OE2 3.49Å; K343-K347 WeakPolarHBondContact O-CB 3.31Å; K343-K347 PolarHBondContact O-N 3.21Å
344R72.1Confident63.5Low167 Ų167108 Ų10863%0.6353%0.527SS*.Hα-helixtrans-82-38.2170-75.8170.6174160.9-7.1111.8R340 N341 E342 W348R340-R344 VanDerWaalsContact O-CD 3.31Å; R340-R344 WeakPolarHBondContact O-CD 3.46Å; R340-R344 VanDerWaalsContact O-CG 3.29Å; R340-R344 WeakPolarHBondContact O-CG 3.45Å; N341-R344 WeakPolarHBondContact O-CB 3.34Å; N341-R344 PolarHBondContact O-N 3.42Å; E342-R344 PolarHBondContact O-N 3.42Å; R344-W348 VanDerWaalsContact O-CB 3.23Å; R344-W348 WeakPolarHBondContact O-CB 3.46Å; R344-W348 PolarHBondContact O-N 2.88Å
345K76.8Confident66Low98 Ų98106.4 Ų106.443%0.42651%0.514SS..Hα-helixtrans-62.6-48.2171.8-162.9-174.1-170.6-166.40110.2N341 E342 K347 W348 L349 D444N341-K345 PolarHBondContact O-N 2.97Å; E342-K345 CarbonylContact O-C 3.59Å; E342-K345 WeakPolarHBondContact O-CA 3.17Å; E342-K345 WeakPolarHBondContact O-CB 3.44Å; E342-K345 PolarHBondContact O-N 3.42Å; K345-K347 PolarHBondContact O-N 3.25Å; K345-W348 WeakPolarHBondContact O-CB 3.28Å; K345-W348 PolarHBondContact O-N 3.25Å; K345-W348 VanDerWaalsContact O-N 3.14Å; K345-L349 HydrophobicContact CD-CD1 4.43Å; K345-L349 HydrophobicContact CG-CD1 4.13Å; K345-L349 HydrophobicContact CG-CG 4.31Å; K345-L349 WeakPolarHBondContact O-CG 3.39Å; K345-L349 PolarHBondContact O-N 2.86Å; K345-D444 VanDerWaalsContact CE-CG 3.49Å; K345-D444 WeakPolarHBondContact CE-OD1 3.29Å; K345-D444 WeakPolarHBondContact CE-OD2 3.26Å; K345-D444 IonicContact NZ-OD1 2.6Å; K345-D444 PolarHBondContact NZ-OD1 2.62Å; K345-D444 IonicContact NZ-OD2 2.73Å; K345-D444 PolarHBondContact NZ-OD2 3.38Å
346E75.5Confident68.3Low113 Ų113104.8 Ų104.853%0.52851%0.512SS..Hα-helixtrans-53.7-52.8174.5-67.5171.2160.100112E342 K343 W348 L349 A350E342-E346 WeakPolarHBondContact O-CG 3.39Å; E342-E346 PolarHBondContact O-N 2.84Å; K343-E346 WeakPolarHBondContact CA-OE2 3.49Å; E346-W348 VanDerWaalsContact C-N 3.29Å; E346-W348 PolarHBondContact O-N 2.96Å; E346-L349 PolarHBondContact O-N 2.79Å; E346-A350 WeakPolarHBondContact O-CB 3.42Å; E346-A350 PolarHBondContact O-N 3.02Å
347K79.7Confident70.5Confident166 Ų166105.4 Ų105.472%0.72251%0.506SS*.Hα-helixtrans-67.1-28.8178.9-176.2157.7-176157.90113.1K343 K345 S351K343-K347 WeakPolarHBondContact O-CB 3.31Å; K343-K347 PolarHBondContact O-N 3.21Å; K345-K347 PolarHBondContact O-N 3.25Å; K347-S351 PolarHBondContact O-OG 2.9Å; K347-S351 VanDerWaalsContact O-OG 3.06Å
348W80.4Confident72.8Confident129 Ų12996.5 Ų96.549%0.48947%0.47SS..Hα-helixtrans-69.1-52172.1179.671.4000110.8R344 K345 E346 A350 S351 F352 L440R344-W348 VanDerWaalsContact O-CB 3.23Å; R344-W348 WeakPolarHBondContact O-CB 3.46Å; R344-W348 PolarHBondContact O-N 2.88Å; K345-W348 WeakPolarHBondContact O-CB 3.28Å; K345-W348 PolarHBondContact O-N 3.25Å; K345-W348 VanDerWaalsContact O-N 3.14Å; E346-W348 VanDerWaalsContact C-N 3.29Å; E346-W348 PolarHBondContact O-N 2.96Å; W348-A350 VanDerWaalsContact C-N 3.32Å; W348-A350 PolarHBondContact O-N 2.7Å; W348-S351 WeakPolarHBondContact O-CA 3.36Å; W348-S351 WeakPolarHBondContact O-CB 3.21Å; W348-S351 PolarHBondContact O-N 3.37Å; W348-S351 PolarHBondContact O-OG 3.13Å; W348-F352 AromaticContact CD2-CE2 3.85Å; W348-F352 HydrophobicContact CD2-CE2 3.85Å; W348-F352 HydrophobicContact CD2-CZ 4.46Å; W348-F352 AromaticContact CE2-CE2 3.53Å; W348-F352 AromaticContact CE2-CZ 3.71Å; W348-F352 HydrophobicContact CE3-CE2 4.41Å; W348-F352 HydrophobicContact CG-CE2 4.19Å; W348-F352 HydrophobicContact CH2-CE2 4.42Å; W348-F352 HydrophobicContact CH2-CZ 4.31Å; W348-F352 AromaticContact CZ2-CE2 3.86Å; W348-F352 HydrophobicContact CZ2-CE2 3.86Å; W348-F352 AromaticContact CZ2-CZ 3.63Å; W348-F352 HydrophobicContact CZ2-CZ 3.63Å; W348-F352 AromaticContact NE1-CE2 3.66Å; W348-F352 AromaticContact NE1-CZ 3.86Å; W348-F352 WeakPolarHBondContact O-CD2 3.37Å; W348-F352 WeakPolarHBondContact O-CE2 3.35Å; W348-L440 HydrophobicContact CH2-CD2 3.66Å; W348-L440 HydrophobicContact CZ3-CD2 3.87Å
349L81.1Confident75Confident4 Ų494.6 Ų94.62%0.02145%0.453CS..Hα-helixtrans-60-37.6176.9-66.6178.3000112.7K345 E346 S351 F352 L440 D444 S447 A448K345-L349 HydrophobicContact CD-CD1 4.43Å; K345-L349 HydrophobicContact CG-CD1 4.13Å; K345-L349 HydrophobicContact CG-CG 4.31Å; K345-L349 WeakPolarHBondContact O-CG 3.39Å; K345-L349 PolarHBondContact O-N 2.86Å; E346-L349 PolarHBondContact O-N 2.79Å; L349-S351 PolarHBondContact O-N 3.38Å; L349-S351 VanDerWaalsContact O-N 3.07Å; L349-F352 WeakPolarHBondContact O-CA 3.4Å; L349-F352 WeakPolarHBondContact O-CB 3.44Å; L349-F352 PolarHBondContact O-N 2.92Å; L349-L440 HydrophobicContact CD2-CD2 4.11Å; L349-D444 HydrophobicContact CD1-CB 4.44Å; L349-D444 HydrophobicContact CD2-CB 3.79Å; L349-S447 WeakPolarHBondContact CD1-OG 3.35Å; L349-A448 HydrophobicContact CB-CB 4.24Å; L349-A448 WeakPolarHBondContact O-CB 3.19Å
350A77.5Confident76.6Confident65 Ų6592.9 Ų92.954%0.53745%0.452SS..G310 helixtrans-59.8-18.9172.500000113.5E346 W348 F352 A353E346-A350 WeakPolarHBondContact O-CB 3.42Å; E346-A350 PolarHBondContact O-N 3.02Å; W348-A350 VanDerWaalsContact C-N 3.32Å; W348-A350 PolarHBondContact O-N 2.7Å; A350-F352 PolarHBondContact O-N 3.04Å; A350-A353 PolarHBondContact O-N 3.17Å
351S77.6Confident78.2Confident88 Ų8886.9 Ų86.962%0.61543%0.433SS*.G310 helixtrans-77.7-3.9172.9-47.20000113.1K347 W348 L349K347-S351 PolarHBondContact O-OG 2.9Å; K347-S351 VanDerWaalsContact O-OG 3.06Å; W348-S351 WeakPolarHBondContact O-CA 3.36Å; W348-S351 WeakPolarHBondContact O-CB 3.21Å; W348-S351 PolarHBondContact O-N 3.37Å; W348-S351 PolarHBondContact O-OG 3.13Å; L349-S351 PolarHBondContact O-N 3.38Å; L349-S351 VanDerWaalsContact O-N 3.07Å
352F78.1Confident79.2Confident28 Ų2882.5 Ų82.512%0.12341%0.409CS..G310 helixtrans-115.36.4176.5-57.4-106.9000112W348 L349 A350 H430 L434 L440 A448W348-F352 AromaticContact CD2-CE2 3.85Å; W348-F352 HydrophobicContact CD2-CE2 3.85Å; W348-F352 HydrophobicContact CD2-CZ 4.46Å; W348-F352 AromaticContact CE2-CE2 3.53Å; W348-F352 AromaticContact CE2-CZ 3.71Å; W348-F352 HydrophobicContact CE3-CE2 4.41Å; W348-F352 HydrophobicContact CG-CE2 4.19Å; W348-F352 HydrophobicContact CH2-CE2 4.42Å; W348-F352 HydrophobicContact CH2-CZ 4.31Å; W348-F352 AromaticContact CZ2-CE2 3.86Å; W348-F352 HydrophobicContact CZ2-CE2 3.86Å; W348-F352 AromaticContact CZ2-CZ 3.63Å; W348-F352 HydrophobicContact CZ2-CZ 3.63Å; W348-F352 AromaticContact NE1-CE2 3.66Å; W348-F352 AromaticContact NE1-CZ 3.86Å; W348-F352 WeakPolarHBondContact O-CD2 3.37Å; W348-F352 WeakPolarHBondContact O-CE2 3.35Å; L349-F352 WeakPolarHBondContact O-CA 3.4Å; L349-F352 WeakPolarHBondContact O-CB 3.44Å; L349-F352 PolarHBondContact O-N 2.92Å; A350-F352 PolarHBondContact O-N 3.04Å; F352-H430 PolarHBondContact O-CE1 2.96Å; F352-H430 VanDerWaalsContact O-CE1 3.24Å; F352-H430 PolarHBondContact O-NE2 3.31Å; F352-L434 HydrophobicContact CB-CD1 4.38Å; F352-L434 HydrophobicContact CB-CD2 4.02Å; F352-L434 HydrophobicContact CD1-CD2 4Å; F352-L434 HydrophobicContact CG-CD2 4.5Å; F352-L440 HydrophobicContact CD1-CD1 3.67Å; F352-L440 HydrophobicContact CE1-CD1 3.95Å; F352-L440 HydrophobicContact CG-CD1 4.27Å; F352-A448 HydrophobicContact CB-CB 3.88Å
353A79.1Confident79.9Confident31 Ų3178.2 Ų78.226%0.25639%0.392SS..SBendtrans-58.9149.9173.600000111.3A350 Q355 A448A350-A353 PolarHBondContact O-N 3.17Å; A353-Q355 PolarHBondContact O-N 2.75Å; A353-Q355 VanDerWaalsContact O-N 3.17Å; A353-A448 WeakPolarHBondContact CA-O 3.29Å
354L80.3Confident80.3Confident23 Ų2375.7 Ų75.712%0.1239%0.39CS..  trans-65.5114.9176.6179.955.5000109.8R358 E359 Y362 C426 H430 Y452L354-R358 HydrophobicContact CD1-CB 3.76Å; L354-E359 HydrophobicContact CD1-CB 4.29Å; L354-E359 HydrophobicContact CD2-CB 4.24Å; L354-E359 HydrophobicContact CD2-CG 4.33Å; L354-E359 HydrophobicContact CG-CB 4.14Å; L354-Y362 HydrophobicContact CD1-CD2 4.01Å; L354-Y362 HydrophobicContact CD1-CE2 3.91Å; L354-C426 HydrophobicContact CD2-CB 4.38Å; L354-H430 HydrophobicContact CD1-CB 4.15Å; L354-H430 HydrophobicContact CD2-CB 4.48Å; L354-Y452 HydrophobicContact CB-CG 4.43Å; L354-Y452 HydrophobicContact CD2-CD1 3.81Å; L354-Y452 HydrophobicContact CD2-CD2 3.94Å; L354-Y452 HydrophobicContact CD2-CE1 3.67Å; L354-Y452 HydrophobicContact CD2-CE2 3.83Å; L354-Y452 HydrophobicContact CD2-CG 3.93Å
355Q80.4Confident80.7Confident137 Ų13770 Ų7064%0.6437%0.371SS*.  trans-88.4145.7175.6-66.7-179.1-3800110A353 K357 R358 E359A353-Q355 PolarHBondContact O-N 2.75Å; A353-Q355 VanDerWaalsContact O-N 3.17Å; Q355-K357 PolarHBondContact O-N 3.44Å; Q355-R358 WeakPolarHBondContact O-CA 3.37Å; Q355-R358 PolarHBondContact O-N 3.48Å; Q355-E359 PolarHBondContact O-N 2.96Å
356S77.9Confident80.8Confident95 Ų9565.5 Ų65.566%0.66435%0.351SS*.Hα-helixtrans-55.3-29.2-175.1-39.90000114.5E359 A360S356-E359 PolarHBondContact O-N 3.36Å; S356-A360 WeakPolarHBondContact O-CB 3.31Å; S356-A360 PolarHBondContact O-N 3.42Å
357K82.4Confident80.9Confident127 Ų12762.7 Ų62.755%0.55234%0.34SS*.Hα-helixtrans-66.2-43.5173.5-179166.8-178167.70112.4Q355 A360 E361Q355-K357 PolarHBondContact O-N 3.44Å; K357-A360 PolarHBondContact O-N 3.28Å; K357-E361 WeakPolarHBondContact CE-OE1 3.32Å; K357-E361 WeakPolarHBondContact CG-OE1 3.44Å; K357-E361 WeakPolarHBondContact O-CG 3.46Å; K357-E361 PolarHBondContact O-N 3.15Å
358R82.5Confident80.6Confident47 Ų4760.5 Ų60.518%0.17733%0.332CS..Hα-helixtrans-72.8-33.1173.9-78.8-109.5-67-69.6-7112.1L354 Q355 A360 E361 Y362 H430 H433L354-R358 HydrophobicContact CD1-CB 3.76Å; Q355-R358 WeakPolarHBondContact O-CA 3.37Å; Q355-R358 PolarHBondContact O-N 3.48Å; R358-A360 VanDerWaalsContact C-N 3.28Å; R358-A360 PolarHBondContact O-N 2.93Å; R358-E361 WeakPolarHBondContact CD-OE2 3.4Å; R358-E361 WeakPolarHBondContact CG-OE2 3.31Å; R358-E361 PolarHBondContact O-N 3.43Å; R358-Y362 HydrophobicContact CB-CE2 4.06Å; R358-Y362 PolarHBondContact NE-OH 2.73Å; R358-Y362 WeakPolarHBondContact O-CD2 3.4Å; R358-Y362 PolarHBondContact O-N 3.45Å; R358-H430 PolarHBondContact NH2-CE1 2.8Å; R358-H430 PolarHBondContact NH2-ND1 3.08Å; R358-H433 PolarHBondContact NH2-CD2 2.86Å
359E84.9Confident79.9Confident38 Ų3857.7 Ų57.718%0.17832%0.323CS..Hα-helixtrans-57.4-44.9170-169.6178.1-179.800110.2L354 Q355 S356 A363 Y452 K455L354-E359 HydrophobicContact CD1-CB 4.29Å; L354-E359 HydrophobicContact CD2-CB 4.24Å; L354-E359 HydrophobicContact CD2-CG 4.33Å; L354-E359 HydrophobicContact CG-CB 4.14Å; Q355-E359 PolarHBondContact O-N 2.96Å; S356-E359 PolarHBondContact O-N 3.36Å; E359-A363 WeakPolarHBondContact O-CB 3.27Å; E359-A363 PolarHBondContact O-N 3.06Å; E359-Y452 VanDerWaalsContact CD-CE2 3.42Å; E359-Y452 HydrophobicContact CG-CE2 4.15Å; E359-Y452 WeakPolarHBondContact OE1-CE2 3.37Å; E359-Y452 PolarHBondContact OE1-OH 3.38Å; E359-K455 IonicContact OE1-NZ 3.71Å; E359-K455 PolarHBondContact OE1-NZ 2.98Å; E359-K455 IonicContact OE2-NZ 3.97Å; E359-K455 PolarHBondContact OE2-NZ 3.09Å
360A83Confident78.9Confident53 Ų5359.9 Ų59.944%0.43833%0.333SS..Hα-helixtrans-65.1-42173.400000113.1S356 K357 R358 Y362 A363 S364S356-A360 WeakPolarHBondContact O-CB 3.31Å; S356-A360 PolarHBondContact O-N 3.42Å; K357-A360 PolarHBondContact O-N 3.28Å; R358-A360 VanDerWaalsContact C-N 3.28Å; R358-A360 PolarHBondContact O-N 2.93Å; A360-Y362 PolarHBondContact O-N 3.36Å; A360-A363 PolarHBondContact O-N 3.48Å; A360-S364 PolarHBondContact O-N 2.73Å; A360-S364 PolarHBondContact O-OG 2.99Å
361E85.4Confident77.9Confident83 Ų8363.4 Ų63.439%0.38834%0.341SS..Hα-helixtrans-60.9-40.2176.9-71.2159.4-170.600112.4K357 R358 Q365K357-E361 WeakPolarHBondContact CE-OE1 3.32Å; K357-E361 WeakPolarHBondContact CG-OE1 3.44Å; K357-E361 WeakPolarHBondContact O-CG 3.46Å; K357-E361 PolarHBondContact O-N 3.15Å; R358-E361 WeakPolarHBondContact CD-OE2 3.4Å; R358-E361 WeakPolarHBondContact CG-OE2 3.31Å; R358-E361 PolarHBondContact O-N 3.43Å; E361-Q365 PolarHBondContact O-N 3.34Å; E361-Q365 PolarHBondContact O-NE2 3.29Å
362Y84.8Confident76.7Confident7 Ų763.7 Ų63.73%0.02734%0.343CS..Hα-helixtrans-75.2-35.6174.5-59.3-52.3000112.5L354 R358 A360 S364 Q365 F366 Y398 H430 H433L354-Y362 HydrophobicContact CD1-CD2 4.01Å; L354-Y362 HydrophobicContact CD1-CE2 3.91Å; R358-Y362 HydrophobicContact CB-CE2 4.06Å; R358-Y362 PolarHBondContact NE-OH 2.73Å; R358-Y362 WeakPolarHBondContact O-CD2 3.4Å; R358-Y362 PolarHBondContact O-N 3.45Å; A360-Y362 PolarHBondContact O-N 3.36Å; Y362-S364 VanDerWaalsContact C-N 3.33Å; Y362-S364 PolarHBondContact O-N 3.34Å; Y362-Q365 PolarHBondContact O-N 2.99Å; Y362-F366 PolarHBondContact O-N 3.38Å; Y362-Y398 WeakPolarHBondContact CE1-OH 3.5Å; Y362-H430 HydrophobicContact CD2-CB 4.27Å; Y362-H430 HydrophobicContact CE2-CB 3.65Å; Y362-H430 AromaticContact CE2-ND1 3.97Å; Y362-H433 WeakPolarHBondContact OH-CB 3.39Å
363A85.3Confident75.5Confident19 Ų1966.8 Ų66.816%0.15736%0.357CS..Hα-helixtrans-62.4-38.1174.400000112.4E359 A360 F366 D367E359-A363 WeakPolarHBondContact O-CB 3.27Å; E359-A363 PolarHBondContact O-N 3.06Å; A360-A363 PolarHBondContact O-N 3.48Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 3.07Å; A363-D367 VanDerWaalsContact O-CG 3.3Å; A363-D367 PolarHBondContact O-N 2.86Å
364S81.6Confident73.7Confident72 Ų7273 Ų7350%0.50339%0.385SS..Hα-helixtrans-67.8-37.5173.9-63.60000112.5A360 Y362 F366 D367 E368A360-S364 PolarHBondContact O-N 2.73Å; A360-S364 PolarHBondContact O-OG 2.99Å; Y362-S364 VanDerWaalsContact C-N 3.33Å; Y362-S364 PolarHBondContact O-N 3.34Å; S364-F366 VanDerWaalsContact C-N 3.31Å; S364-F366 PolarHBondContact O-N 3.05Å; S364-D367 PolarHBondContact O-N 3.41Å; S364-E368 VanDerWaalsContact O-CB 3.31Å; S364-E368 WeakPolarHBondContact O-CB 3.42Å; S364-E368 PolarHBondContact O-N 2.98Å
365Q80.2Confident72Confident48 Ų4877.6 Ų77.622%0.22441%0.409CS..Hα-helixtrans-64.9-35.1174.5-77.8162.788.100112E361 Y362 F369 F425E361-Q365 PolarHBondContact O-N 3.34Å; E361-Q365 PolarHBondContact O-NE2 3.29Å; Y362-Q365 PolarHBondContact O-N 2.99Å; Q365-F369 PolarHBondContact O-N 3.33Å; Q365-F425 HydrophobicContact CB-CE1 4.4Å
366F79.2Confident70.2Confident2 Ų274 Ų741%0.00941%0.408CS..Hα-helixtrans-63.8-48.9170.8-176.9-86.6000111.1Y362 A363 S364 E368 F369 F370 L383 V385 K422 F425Y362-F366 PolarHBondContact O-N 3.38Å; A363-F366 WeakPolarHBondContact O-CB 3.41Å; A363-F366 PolarHBondContact O-N 3.07Å; S364-F366 VanDerWaalsContact C-N 3.31Å; S364-F366 PolarHBondContact O-N 3.05Å; F366-E368 PolarHBondContact O-N 2.76Å; F366-F369 WeakPolarHBondContact O-CB 3.41Å; F366-F369 PolarHBondContact O-N 3.44Å; F366-F369 VanDerWaalsContact O-N 3.14Å; F366-F370 AromaticContact CD1-CD2 3.97Å; F366-F370 HydrophobicContact CD1-CD2 3.97Å; F366-F370 AromaticContact CD1-CE2 3.82Å; F366-F370 HydrophobicContact CD1-CE2 3.82Å; F366-F370 HydrophobicContact CD2-CE2 4.21Å; F366-F370 AromaticContact CE1-CD2 3.84Å; F366-F370 HydrophobicContact CE1-CD2 3.84Å; F366-F370 AromaticContact CE1-CE2 3.43Å; F366-F370 HydrophobicContact CE1-CE2 3.43Å; F366-F370 VanDerWaalsContact CE1-CE2 3.43Å; F366-F370 HydrophobicContact CE1-CZ 4.45Å; F366-F370 AromaticContact CE2-CE2 3.89Å; F366-F370 HydrophobicContact CE2-CE2 3.89Å; F366-F370 HydrophobicContact CG-CE2 4.2Å; F366-F370 HydrophobicContact CZ-CD2 4.36Å; F366-F370 AromaticContact CZ-CE2 3.5Å; F366-F370 HydrophobicContact CZ-CE2 3.5Å; F366-F370 VanDerWaalsContact CZ-CE2 3.5Å; F366-F370 HydrophobicContact CZ-CZ 4.19Å; F366-F370 VanDerWaalsContact O-CD2 3.24Å; F366-F370 WeakPolarHBondContact O-CD2 3.41Å; F366-F370 PolarHBondContact O-N 2.74Å; F366-L383 HydrophobicContact CE1-CB 3.96Å; F366-L383 HydrophobicContact CZ-CB 4.2Å; F366-L383 WeakPolarHBondContact CZ-O 3.35Å; F366-V385 HydrophobicContact CD2-CG2 3.85Å; F366-V385 HydrophobicContact CE2-CG2 3.61Å; F366-V385 HydrophobicContact CZ-CG2 4.42Å; F366-K422 HydrophobicContact CB-CG 4.44Å; F366-K422 HydrophobicContact CD1-CB 3.95Å; F366-K422 HydrophobicContact CD1-CD 3.76Å; F366-K422 HydrophobicContact CD1-CG 3.65Å; F366-K422 HydrophobicContact CD2-CB 4.44Å; F366-K422 HydrophobicContact CD2-CG 4.48Å; F366-K422 HydrophobicContact CE1-CB 3.63Å; F366-K422 HydrophobicContact CE1-CD 3.98Å; F366-K422 HydrophobicContact CE1-CG 3.87Å; F366-K422 HydrophobicContact CE2-CB 4.14Å; F366-K422 HydrophobicContact CG-CB 4.33Å; F366-K422 HydrophobicContact CG-CD 4.49Å; F366-K422 HydrophobicContact CG-CG 3.97Å; F366-K422 HydrophobicContact CZ-CB 3.72Å; F366-K422 HydrophobicContact CZ-CG 4.35Å; F366-F425 HydrophobicContact CB-CD1 3.78Å; F366-F425 HydrophobicContact CB-CE1 3.97Å; F366-F425 HydrophobicContact CB-CG 4.47Å; F366-F425 HydrophobicContact CD2-CB 3.64Å; F366-F425 AromaticContact CD2-CD1 3.83Å; F366-F425 HydrophobicContact CD2-CD1 3.83Å; F366-F425 HydrophobicContact CD2-CD2 4.23Å; F366-F425 AromaticContact CD2-CG 3.64Å; F366-F425 HydrophobicContact CD2-CG 3.64Å; F366-F425 HydrophobicContact CE2-CB 4.03Å; F366-F425 HydrophobicContact CE2-CG 4.43Å; F366-F425 HydrophobicContact CG-CD1 4.31Å
367D78.3Confident68.1Low54 Ų5475.1 Ų75.129%0.28942%0.416SS..Hα-helixtrans-63.2-42.1179.6-66.2-29.3000112.2A363 S364 F369 F370 I371 K422A363-D367 VanDerWaalsContact O-CG 3.3Å; A363-D367 PolarHBondContact O-N 2.86Å; S364-D367 PolarHBondContact O-N 3.41Å; D367-F369 PolarHBondContact O-N 2.84Å; D367-F370 PolarHBondContact O-N 3.35Å; D367-F370 VanDerWaalsContact O-N 3.12Å; D367-I371 VanDerWaalsContact O-CG1 3.29Å; D367-I371 WeakPolarHBondContact O-CG1 3.38Å; D367-I371 PolarHBondContact O-N 3.29Å; D367-K422 WeakPolarHBondContact OD1-CE 3.25Å; D367-K422 IonicContact OD1-NZ 3.43Å; D367-K422 PolarHBondContact OD1-NZ 2.87Å; D367-K422 IonicContact OD2-NZ 2.86Å; D367-K422 PolarHBondContact OD2-NZ 3.32Å
368E73Confident66.1Low120 Ų12074.6 Ų74.656%0.56142%0.423SS*.Hα-helixtrans-59.6-32174.9-173.5170.6-157.600112.1S364 F366 I371 S372S364-E368 VanDerWaalsContact O-CB 3.31Å; S364-E368 WeakPolarHBondContact O-CB 3.42Å; S364-E368 PolarHBondContact O-N 2.98Å; F366-E368 PolarHBondContact O-N 2.76Å; E368-I371 PolarHBondContact O-N 2.62Å; E368-S372 VanDerWaalsContact O-CB 3.32Å; E368-S372 WeakPolarHBondContact O-CB 3.42Å; E368-S372 PolarHBondContact O-N 2.76Å; E368-S372 PolarHBondContact O-OG 3.05Å
369F65Low64.2Low70 Ų7077.8 Ų77.831%0.30745%0.448SS..Hα-helixtrans-67.6-34.7175-114.5-108.2000113.8Q365 F366 D367 K373 E389 L393Q365-F369 PolarHBondContact O-N 3.33Å; F366-F369 WeakPolarHBondContact O-CB 3.41Å; F366-F369 PolarHBondContact O-N 3.44Å; F366-F369 VanDerWaalsContact O-N 3.14Å; D367-F369 PolarHBondContact O-N 2.84Å; F369-K373 WeakPolarHBondContact O-CB 3.33Å; F369-E389 HydrophobicContact CE1-CB 4.45Å; F369-L393 HydrophobicContact CD1-CD1 4.31Å; F369-L393 HydrophobicContact CD2-CD1 4.05Å; F369-L393 HydrophobicContact CE1-CD1 3.91Å; F369-L393 HydrophobicContact CE1-CG 4.29Å; F369-L393 HydrophobicContact CE2-CD1 3.68Å; F369-L393 HydrophobicContact CE2-CD2 3.58Å; F369-L393 HydrophobicContact CE2-CG 3.97Å; F369-L393 HydrophobicContact CG-CD1 4.38Å; F369-L393 HydrophobicContact CZ-CD1 3.6Å; F369-L393 HydrophobicContact CZ-CD2 3.65Å; F369-L393 HydrophobicContact CZ-CG 3.67Å
370F60.8Low62Low51 Ų5184.2 Ų84.222%0.22448%0.484CS..Hα-helixtrans-82.3-34.1173.5-68.1-76.7000112.5F366 D367 S372 K373 L383 V384 V385F366-F370 AromaticContact CD1-CD2 3.97Å; F366-F370 HydrophobicContact CD1-CD2 3.97Å; F366-F370 AromaticContact CD1-CE2 3.82Å; F366-F370 HydrophobicContact CD1-CE2 3.82Å; F366-F370 HydrophobicContact CD2-CE2 4.21Å; F366-F370 AromaticContact CE1-CD2 3.84Å; F366-F370 HydrophobicContact CE1-CD2 3.84Å; F366-F370 AromaticContact CE1-CE2 3.43Å; F366-F370 HydrophobicContact CE1-CE2 3.43Å; F366-F370 VanDerWaalsContact CE1-CE2 3.43Å; F366-F370 HydrophobicContact CE1-CZ 4.45Å; F366-F370 AromaticContact CE2-CE2 3.89Å; F366-F370 HydrophobicContact CE2-CE2 3.89Å; F366-F370 HydrophobicContact CG-CE2 4.2Å; F366-F370 HydrophobicContact CZ-CD2 4.36Å; F366-F370 AromaticContact CZ-CE2 3.5Å; F366-F370 HydrophobicContact CZ-CE2 3.5Å; F366-F370 VanDerWaalsContact CZ-CE2 3.5Å; F366-F370 HydrophobicContact CZ-CZ 4.19Å; F366-F370 VanDerWaalsContact O-CD2 3.24Å; F366-F370 WeakPolarHBondContact O-CD2 3.41Å; F366-F370 PolarHBondContact O-N 2.74Å; D367-F370 PolarHBondContact O-N 3.35Å; D367-F370 VanDerWaalsContact O-N 3.12Å; F370-S372 PolarHBondContact O-N 2.82Å; F370-K373 CarbonylContact O-C 3.59Å; F370-K373 PolarHBondContact O-N 3.14Å; F370-L383 HydrophobicContact CB-CD2 4.47Å; F370-L383 HydrophobicContact CD1-CB 4.49Å; F370-L383 HydrophobicContact CD1-CD2 3.78Å; F370-L383 HydrophobicContact CD2-CB 4.21Å; F370-L383 HydrophobicContact CD2-CD1 4.4Å; F370-L383 HydrophobicContact CE1-CB 4.29Å; F370-L383 HydrophobicContact CE1-CD2 4.19Å; F370-L383 HydrophobicContact CE2-CB 4.03Å; F370-L383 HydrophobicContact CG-CB 4.46Å; F370-L383 HydrophobicContact CG-CD1 4.41Å; F370-L383 HydrophobicContact CG-CD2 3.98Å; F370-L383 HydrophobicContact CZ-CB 4.07Å; F370-V384 VanDerWaalsContact CZ-N 3.31Å; F370-V384 WeakPolarHBondContact CZ-O 3.44Å; F370-V385 HydrophobicContact CE2-CG2 3.72Å; F370-V385 HydrophobicContact CZ-CG2 3.65Å
371I56.4Low59.9Low139 Ų13986.1 Ų86.171%0.71349%0.493SS*.Hα-helixtrans-62.5-34.6172.9-67.2163000111.1D367 E368 K373D367-I371 VanDerWaalsContact O-CG1 3.29Å; D367-I371 WeakPolarHBondContact O-CG1 3.38Å; D367-I371 PolarHBondContact O-N 3.29Å; E368-I371 PolarHBondContact O-N 2.62Å; I371-K373 PolarHBondContact O-N 3.33Å
372S51.8Low58.3Low94 Ų9489.6 Ų89.666%0.65751%0.509SS*.THydrogen-bonded Turntrans-73.7-9.2175.5-58.20000114E368 F370E368-S372 VanDerWaalsContact O-CB 3.32Å; E368-S372 WeakPolarHBondContact O-CB 3.42Å; E368-S372 PolarHBondContact O-N 2.76Å; E368-S372 PolarHBondContact O-OG 3.05Å; F370-S372 PolarHBondContact O-N 2.82Å
373K53.2Low57.2Low93 Ų9394 Ų9440%0.40453%0.532SS..SBendtrans-123.777.1-170.7-161.3176.8-175.2-178.30109.6F369 F370 I371 I375 E389F369-K373 WeakPolarHBondContact O-CB 3.33Å; F370-K373 CarbonylContact O-C 3.59Å; F370-K373 PolarHBondContact O-N 3.14Å; I371-K373 PolarHBondContact O-N 3.33Å; K373-I375 HydrophobicContact CD-CD1 4.22Å; K373-I375 HydrophobicContact CG-CD1 4.04Å; K373-I375 HydrophobicContact CG-CG1 4.27Å; K373-I375 PolarHBondContact O-N 3.42Å; K373-E389 IonicContact NZ-OE1 2.67Å; K373-E389 PolarHBondContact NZ-OE1 2.84Å; K373-E389 IonicContact NZ-OE2 3.62Å
374D40.9Very low56.3Low161 Ų16194.5 Ų94.586%0.86153%0.533SS*.  trans-66.168.7-171.6-163.711.5000113.5
375I46.3Very low56Low120 Ų12091.2 Ų91.262%0.61551%0.51SS*.  trans-94.491.4174.2-59.3174.4000107K373 S377K373-I375 HydrophobicContact CD-CD1 4.22Å; K373-I375 HydrophobicContact CG-CD1 4.04Å; K373-I375 HydrophobicContact CG-CG1 4.27Å; K373-I375 PolarHBondContact O-N 3.42Å; I375-S377 PolarHBondContact O-N 2.64Å
376G41.4Very low55.9Low60 Ų6091 Ų9162%0.61951%0.513SS*.  trans-57.9133.4-175.300000114.1
377S33.7Very low55.9Low120 Ų12095.3 Ų95.384%0.83953%0.528SS*.  trans63.357.9160.5-1710000117.6I375I375-S377 PolarHBondContact O-N 2.64Å
378V41.1Very low55.9Low115 Ų11596.2 Ų96.270%0.69754%0.539SS*.  trans-114123151.8-176.20000109.7N380V378-N380 PolarHBondContact O-N 2.97Å
379T42Very low56.1Low114 Ų11492.5 Ų92.570%0.69952%0.522SS*.  trans-80.1111.8-174.950.10000112.3C381T379-C381 PolarHBondContact O-N 2.64Å; T379-C381 PolarHBondContact O-SG 3.17Å; T379-C381 VanDerWaalsContact O-SG 3.33Å
380N39.1Very low56.9Low173 Ų17389.2 Ų89.293%0.92551%0.507SS*.SBendtrans517.7156.3-90.1-18.4000119.8V378V378-N380 PolarHBondContact O-N 2.97Å
381C38.4Very low57.8Low93 Ų9388.6 Ų88.663%0.62851%0.508SS*.SBendtrans-107.1107.8-177.1-65.50000110.5T379T379-C381 PolarHBondContact O-N 2.64Å; T379-C381 PolarHBondContact O-SG 3.17Å; T379-C381 VanDerWaalsContact O-SG 3.33Å
382H52.2Low58.9Low157 Ų15788.8 Ų88.873%0.72751%0.506SS*.  trans53.572.5173.5-67.2-95.1000115.5V384H382-V384 HydrophobicContact CB-CG2 4.08Å; H382-V384 PolarHBondContact O-N 3.23Å
383L61.4Low60.1Low98 Ų9886.3 Ų86.351%0.51349%0.485SS..  trans-64121.3150.1-62.3-179.9000107.7F366 F370F366-L383 HydrophobicContact CE1-CB 3.96Å; F366-L383 HydrophobicContact CZ-CB 4.2Å; F366-L383 WeakPolarHBondContact CZ-O 3.35Å; F370-L383 HydrophobicContact CB-CD2 4.47Å; F370-L383 HydrophobicContact CD1-CB 4.49Å; F370-L383 HydrophobicContact CD1-CD2 3.78Å; F370-L383 HydrophobicContact CD2-CB 4.21Å; F370-L383 HydrophobicContact CD2-CD1 4.4Å; F370-L383 HydrophobicContact CE1-CB 4.29Å; F370-L383 HydrophobicContact CE1-CD2 4.19Å; F370-L383 HydrophobicContact CE2-CB 4.03Å; F370-L383 HydrophobicContact CG-CB 4.46Å; F370-L383 HydrophobicContact CG-CD1 4.41Å; F370-L383 HydrophobicContact CG-CD2 3.98Å; F370-L383 HydrophobicContact CZ-CB 4.07Å
384V67.3Low61.4Low30 Ų3081.9 Ų81.918%0.18247%0.466CS..  trans-153.2133.7-164141.50000108.6F370 H382 Y419F370-V384 VanDerWaalsContact CZ-N 3.31Å; F370-V384 WeakPolarHBondContact CZ-O 3.44Å; H382-V384 HydrophobicContact CB-CG2 4.08Å; H382-V384 PolarHBondContact O-N 3.23Å; V384-Y419 HydrophobicContact CG1-CD1 3.2Å; V384-Y419 HydrophobicContact CG1-CD2 4.45Å; V384-Y419 HydrophobicContact CG1-CE1 4.04Å; V384-Y419 HydrophobicContact CG1-CG 3.44Å; V384-Y419 VanDerWaalsContact CG1-CG 3.44Å
385V74.1Confident63.2Low3 Ų377 Ų772%0.01844%0.442CS..BIsolated β-bridgetrans-107.4138.6-175.7-164.10000111.6F366 F370 E389 V390 L420F366-V385 HydrophobicContact CD2-CG2 3.85Å; F366-V385 HydrophobicContact CE2-CG2 3.61Å; F366-V385 HydrophobicContact CZ-CG2 4.42Å; F370-V385 HydrophobicContact CE2-CG2 3.72Å; F370-V385 HydrophobicContact CZ-CG2 3.65Å; V385-E389 HydrophobicContact CG1-CB 3.94Å; V385-V390 HydrophobicContact CB-CG2 3.9Å; V385-V390 HydrophobicContact CG1-CG2 3.42Å; V385-V390 VanDerWaalsContact CG1-CG2 3.42Å; V385-L420 PolarHBondContact N-O 2.91Å; V385-L420 VanDerWaalsContact N-O 3.16Å; V385-L420 PolarHBondContact O-N 2.81Å
386T77.4Confident64.7Low45 Ų4575.1 Ų75.128%0.27644%0.444SS..  trans-84.6156-177.671.90000113.1S388 E389 V390 Y419T386-S388 VanDerWaalsContact C-N 3.32Å; T386-S388 PolarHBondContact O-N 2.94Å; T386-S388 PolarHBondContact OG1-OG 3.44Å; T386-E389 WeakPolarHBondContact CB-OE2 3.24Å; T386-E389 PolarHBondContact N-OE2 3.12Å; T386-E389 VanDerWaalsContact N-OE2 3.08Å; T386-E389 PolarHBondContact O-N 2.9Å; T386-E389 VanDerWaalsContact OG1-CD 3.25Å; T386-E389 WeakPolarHBondContact OG1-CG 3.46Å; T386-E389 PolarHBondContact OG1-OE2 3.29Å; T386-V390 PolarHBondContact O-N 2.9Å; T386-Y419 HydrophobicContact CG2-CE1 4.25Å
387R79.8Confident66.5Low91 Ų9176.1 Ų76.134%0.34343%0.433SS..Hα-helixtrans-53.7-43.9-177.6-167.3-170.8-170.599.9-6.8113.7E389 T391 F405 D406 W409R387-E389 PolarHBondContact O-N 3.07Å; R387-T391 WeakPolarHBondContact O-CB 3.47Å; R387-T391 PolarHBondContact O-N 3.28Å; R387-T391 PolarHBondContact O-OG1 2.89Å; R387-F405 HydrophobicContact CG-CE1 3.97Å; R387-F405 HydrophobicContact CG-CZ 4.48Å; R387-D406 IonicContact CZ-OD1 2.7Å; R387-D406 IonicContact NE-OD1 2.9Å; R387-D406 IonicContact NH2-OD1 2.64Å; R387-D406 PolarHBondContact NH2-OD1 3.37Å; R387-W409 VanDerWaalsContact CA-CH2 3.49Å; R387-W409 VanDerWaalsContact CA-CZ3 3.47Å; R387-W409 HydrophobicContact CB-CE3 4.34Å; R387-W409 HydrophobicContact CB-CH2 3.95Å; R387-W409 HydrophobicContact CB-CZ2 4.19Å; R387-W409 HydrophobicContact CB-CZ3 4.04Å; R387-W409 HydrophobicContact CG-CD2 4.11Å; R387-W409 HydrophobicContact CG-CE3 3.95Å; R387-W409 HydrophobicContact CG-CH2 4.45Å; R387-W409 HydrophobicContact CG-CZ3 4.14Å; R387-W409 VanDerWaalsContact NH1-CD1 3.33Å
388S78Confident68.6Low74 Ų7471.1 Ų71.152%0.51740%0.396SS..Hα-helixtrans-63.5-40.2-176.747.80000112.4T386 T391 Q392T386-S388 VanDerWaalsContact C-N 3.32Å; T386-S388 PolarHBondContact O-N 2.94Å; T386-S388 PolarHBondContact OG1-OG 3.44Å; S388-T391 PolarHBondContact O-N 3.03Å; S388-Q392 WeakPolarHBondContact O-CG 3.48Å; S388-Q392 PolarHBondContact O-N 3.28Å
389E77.3Confident70.4Confident42 Ų4274.6 Ų74.620%0.19640%0.401CS..Hα-helixtrans-66.8-50179.8-64.9167.3129.100111.2F369 K373 V385 T386 R387 T391 Q392 L393F369-E389 HydrophobicContact CE1-CB 4.45Å; K373-E389 IonicContact NZ-OE1 2.67Å; K373-E389 PolarHBondContact NZ-OE1 2.84Å; K373-E389 IonicContact NZ-OE2 3.62Å; V385-E389 HydrophobicContact CG1-CB 3.94Å; T386-E389 WeakPolarHBondContact CB-OE2 3.24Å; T386-E389 PolarHBondContact N-OE2 3.12Å; T386-E389 VanDerWaalsContact N-OE2 3.08Å; T386-E389 PolarHBondContact O-N 2.9Å; T386-E389 VanDerWaalsContact OG1-CD 3.25Å; T386-E389 WeakPolarHBondContact OG1-CG 3.46Å; T386-E389 PolarHBondContact OG1-OE2 3.29Å; R387-E389 PolarHBondContact O-N 3.07Å; E389-T391 VanDerWaalsContact C-N 3.29Å; E389-T391 PolarHBondContact O-N 2.91Å; E389-Q392 PolarHBondContact O-N 3.48Å; E389-L393 PolarHBondContact O-N 3.48Å; E389-L393 VanDerWaalsContact O-N 3.14Å
390V81.8Confident72Confident0 Ų070 Ų700%037%0.372CS..Hα-helixtrans-68.2-30178.7-1660000111.7V385 T386 L393 F394 F405 W409 L420 F425V385-V390 HydrophobicContact CB-CG2 3.9Å; V385-V390 HydrophobicContact CG1-CG2 3.42Å; V385-V390 VanDerWaalsContact CG1-CG2 3.42Å; T386-V390 PolarHBondContact O-N 2.9Å; V390-L393 PolarHBondContact O-N 3.4Å; V390-F394 HydrophobicContact CG1-CD1 3.79Å; V390-F394 HydrophobicContact CG1-CD2 3.93Å; V390-F394 HydrophobicContact CG1-CE1 3.46Å; V390-F394 VanDerWaalsContact CG1-CE1 3.46Å; V390-F394 HydrophobicContact CG1-CE2 3.61Å; V390-F394 HydrophobicContact CG1-CG 4.01Å; V390-F394 HydrophobicContact CG1-CZ 3.34Å; V390-F394 WeakPolarHBondContact O-CB 3.34Å; V390-F394 PolarHBondContact O-N 3.27Å; V390-F405 HydrophobicContact CB-CE2 4.27Å; V390-F405 HydrophobicContact CB-CZ 4.2Å; V390-F405 HydrophobicContact CG1-CE2 4.02Å; V390-F405 HydrophobicContact CG1-CZ 4.39Å; V390-W409 HydrophobicContact CB-CZ3 4.11Å; V390-W409 HydrophobicContact CG2-CZ3 4.16Å; V390-L420 HydrophobicContact CG1-CD1 4.31Å; V390-L420 HydrophobicContact CG2-CD1 4.22Å; V390-F425 HydrophobicContact CG1-CD2 4.34Å; V390-F425 HydrophobicContact CG1-CE2 4.08Å; V390-F425 HydrophobicContact CG2-CD2 4.21Å; V390-F425 HydrophobicContact CG2-CE2 4.15Å
391T81.1Confident74Confident39 Ų3964.2 Ų64.224%0.23935%0.345CS..Hα-helixtrans-59.9-47.8173.2-56.40000110.9R387 S388 E389 F394 T395 F405R387-T391 WeakPolarHBondContact O-CB 3.47Å; R387-T391 PolarHBondContact O-N 3.28Å; R387-T391 PolarHBondContact O-OG1 2.89Å; S388-T391 PolarHBondContact O-N 3.03Å; E389-T391 VanDerWaalsContact C-N 3.29Å; E389-T391 PolarHBondContact O-N 2.91Å; T391-F394 PolarHBondContact O-N 3.37Å; T391-T395 HydrophobicContact CG2-CG2 4.36Å; T391-T395 WeakPolarHBondContact O-CB 3.31Å; T391-T395 VanDerWaalsContact O-CG2 3.3Å; T391-T395 WeakPolarHBondContact O-CG2 3.43Å; T391-T395 PolarHBondContact O-N 3.37Å; T391-T395 PolarHBondContact O-OG1 3.39Å; T391-F405 HydrophobicContact CG2-CD1 4.39Å; T391-F405 HydrophobicContact CG2-CE1 4.42Å; T391-F405 WeakPolarHBondContact OG1-CE1 3.36Å; T391-F405 VanDerWaalsContact OG1-CZ 3.31Å; T391-F405 WeakPolarHBondContact OG1-CZ 3.5Å
392Q77.7Confident75.9Confident142 Ų14263.3 Ų63.366%0.66434%0.34SS*.Hα-helixtrans-64.3-43.2179.4-68.8179.536.300111.4S388 E389 T395 A396S388-Q392 WeakPolarHBondContact O-CG 3.48Å; S388-Q392 PolarHBondContact O-N 3.28Å; E389-Q392 PolarHBondContact O-N 3.48Å; Q392-T395 PolarHBondContact O-OG1 3.14Å; Q392-A396 VanDerWaalsContact O-CB 3.28Å; Q392-A396 WeakPolarHBondContact O-CB 3.33Å; Q392-A396 PolarHBondContact O-N 2.96Å; Q392-A396 VanDerWaalsContact O-N 3.14Å
393L77Confident77.3Confident42 Ų4260.1 Ų60.122%0.2233%0.331CS..Hα-helixtrans-57.5-55.9173.8-78.7177.4000112.6F369 E389 V390 T395 A396 Q397 F425F369-L393 HydrophobicContact CD1-CD1 4.31Å; F369-L393 HydrophobicContact CD2-CD1 4.05Å; F369-L393 HydrophobicContact CE1-CD1 3.91Å; F369-L393 HydrophobicContact CE1-CG 4.29Å; F369-L393 HydrophobicContact CE2-CD1 3.68Å; F369-L393 HydrophobicContact CE2-CD2 3.58Å; F369-L393 HydrophobicContact CE2-CG 3.97Å; F369-L393 HydrophobicContact CG-CD1 4.38Å; F369-L393 HydrophobicContact CZ-CD1 3.6Å; F369-L393 HydrophobicContact CZ-CD2 3.65Å; F369-L393 HydrophobicContact CZ-CG 3.67Å; E389-L393 PolarHBondContact O-N 3.48Å; E389-L393 VanDerWaalsContact O-N 3.14Å; V390-L393 PolarHBondContact O-N 3.4Å; L393-T395 PolarHBondContact O-N 3.04Å; L393-A396 PolarHBondContact O-N 3.25Å; L393-Q397 WeakPolarHBondContact O-CB 3.47Å; L393-Q397 PolarHBondContact O-N 3.2Å; L393-F425 HydrophobicContact CD1-CE2 4.36Å; L393-F425 HydrophobicContact CD1-CZ 4.36Å
394F81.6Confident78.3Confident1 Ų158.7 Ų58.70%0.00432%0.324CS..Hα-helixtrans-73.9-29.7-169-7210.7000112.5V390 T391 Y398 K399 F405 I408 F425 A428 S429 A432V390-F394 HydrophobicContact CG1-CD1 3.79Å; V390-F394 HydrophobicContact CG1-CD2 3.93Å; V390-F394 HydrophobicContact CG1-CE1 3.46Å; V390-F394 VanDerWaalsContact CG1-CE1 3.46Å; V390-F394 HydrophobicContact CG1-CE2 3.61Å; V390-F394 HydrophobicContact CG1-CG 4.01Å; V390-F394 HydrophobicContact CG1-CZ 3.34Å; V390-F394 WeakPolarHBondContact O-CB 3.34Å; V390-F394 PolarHBondContact O-N 3.27Å; T391-F394 PolarHBondContact O-N 3.37Å; F394-Y398 HydrophobicContact CB-CD2 4.14Å; F394-Y398 HydrophobicContact CD1-CD2 4.01Å; F394-Y398 AromaticContact CD1-CE2 3.84Å; F394-Y398 HydrophobicContact CD1-CE2 3.84Å; F394-Y398 HydrophobicContact CE1-CE2 4.16Å; F394-Y398 HydrophobicContact CG-CD2 4.06Å; F394-Y398 HydrophobicContact CG-CE2 4.32Å; F394-Y398 WeakPolarHBondContact O-CA 3.36Å; F394-Y398 WeakPolarHBondContact O-CB 3.35Å; F394-Y398 PolarHBondContact O-N 3.47Å; F394-K399 PolarHBondContact O-N 2.82Å; F394-F405 HydrophobicContact CB-CD2 3.97Å; F394-F405 HydrophobicContact CB-CE2 4.17Å; F394-F405 AromaticContact CD2-CD2 3.83Å; F394-F405 HydrophobicContact CD2-CD2 3.83Å; F394-F405 AromaticContact CD2-CE2 3.71Å; F394-F405 HydrophobicContact CD2-CE2 3.71Å; F394-F405 HydrophobicContact CE2-CE2 4.39Å; F394-F405 HydrophobicContact CG-CD2 4.3Å; F394-F405 HydrophobicContact CG-CE2 4.17Å; F394-I408 HydrophobicContact CE2-CG2 4.46Å; F394-F425 HydrophobicContact CE1-CE2 4.18Å; F394-F425 HydrophobicContact CE1-CZ 4.37Å; F394-F425 HydrophobicContact CZ-CE2 4.39Å; F394-A428 HydrophobicContact CE2-CB 3.76Å; F394-A428 WeakPolarHBondContact CE2-O 3.49Å; F394-A428 HydrophobicContact CZ-CB 3.94Å; F394-S429 WeakPolarHBondContact CE1-OG 3.46Å; F394-S429 WeakPolarHBondContact CZ-OG 3.47Å; F394-A432 HydrophobicContact CD2-CB 3.64Å; F394-A432 HydrophobicContact CE2-CB 3.85Å; F394-A432 HydrophobicContact CG-CB 4.15Å
395T79.1Confident79.2Confident58 Ų5857.4 Ų57.436%0.35632%0.316SS..Hα-helixtrans-68.2-42.6171.353.20000111.6T391 Q392 L393 K399T391-T395 HydrophobicContact CG2-CG2 4.36Å; T391-T395 WeakPolarHBondContact O-CB 3.31Å; T391-T395 VanDerWaalsContact O-CG2 3.3Å; T391-T395 WeakPolarHBondContact O-CG2 3.43Å; T391-T395 PolarHBondContact O-N 3.37Å; T391-T395 PolarHBondContact O-OG1 3.39Å; Q392-T395 PolarHBondContact O-OG1 3.14Å; L393-T395 PolarHBondContact O-N 3.04Å; T395-K399 WeakPolarHBondContact O-CA 3.46Å; T395-K399 PolarHBondContact O-N 2.71Å
396A77.9Confident79.6Confident80 Ų8060 Ų6066%0.66133%0.33SS*.Hα-helixtrans-69.2-48176.900000113.1Q392 L393Q392-A396 VanDerWaalsContact O-CB 3.28Å; Q392-A396 WeakPolarHBondContact O-CB 3.33Å; Q392-A396 PolarHBondContact O-N 2.96Å; Q392-A396 VanDerWaalsContact O-N 3.14Å; L393-A396 PolarHBondContact O-N 3.25Å
397Q79.1Confident79.8Confident82 Ų8261.2 Ų61.238%0.38334%0.335SS..Hα-helixtrans-80.1-39.9-171.1-166.5179.927.100113L393L393-Q397 WeakPolarHBondContact O-CB 3.47Å; L393-Q397 PolarHBondContact O-N 3.2Å
398Y77.6Confident80Confident15 Ų1556.9 Ų56.96%0.05932%0.319CS..Hα-helixtrans-115.7-4.7-171.9-54.4-62.4000114.5Y362 F394 I400 A432 H433Y362-Y398 WeakPolarHBondContact CE1-OH 3.5Å; F394-Y398 HydrophobicContact CB-CD2 4.14Å; F394-Y398 HydrophobicContact CD1-CD2 4.01Å; F394-Y398 AromaticContact CD1-CE2 3.84Å; F394-Y398 HydrophobicContact CD1-CE2 3.84Å; F394-Y398 HydrophobicContact CE1-CE2 4.16Å; F394-Y398 HydrophobicContact CG-CD2 4.06Å; F394-Y398 HydrophobicContact CG-CE2 4.32Å; F394-Y398 WeakPolarHBondContact O-CA 3.36Å; F394-Y398 WeakPolarHBondContact O-CB 3.35Å; F394-Y398 PolarHBondContact O-N 3.47Å; Y398-I400 VanDerWaalsContact C-N 3.29Å; Y398-I400 HydrophobicContact CD2-CD1 4.44Å; Y398-I400 HydrophobicContact CG-CD1 4.33Å; Y398-I400 PolarHBondContact O-N 3.28Å; Y398-A432 HydrophobicContact CD2-CB 3.61Å; Y398-A432 HydrophobicContact CE2-CB 4.02Å; Y398-A432 HydrophobicContact CG-CB 4.18Å; Y398-H433 HydrophobicContact CD1-CB 4.41Å; Y398-H433 HydrophobicContact CE1-CB 4.08Å
399K78.3Confident80.4Confident188 Ų18853.6 Ų53.682%0.81730%0.295SS*.  trans58.135.5176.7-56.6-177.8-179.4179.20114.4F394 T395F394-K399 PolarHBondContact O-N 2.82Å; T395-K399 WeakPolarHBondContact O-CA 3.46Å; T395-K399 PolarHBondContact O-N 2.71Å
400I76.7Confident80.6Confident16 Ų1656.2 Ų56.28%0.08231%0.31CS..  trans-82.2150.5-177.1-61.3173.8000110.4Y398 D404 F405 I408 A432Y398-I400 VanDerWaalsContact C-N 3.29Å; Y398-I400 HydrophobicContact CD2-CD1 4.44Å; Y398-I400 HydrophobicContact CG-CD1 4.33Å; Y398-I400 PolarHBondContact O-N 3.28Å; I400-D404 HydrophobicContact CG2-CB 3.43Å; I400-D404 VanDerWaalsContact CG2-CB 3.43Å; I400-F405 HydrophobicContact CG2-CB 4.44Å; I400-I408 HydrophobicContact CD1-CD1 3.89Å; I400-I408 HydrophobicContact CG2-CD1 4.12Å; I400-A432 VanDerWaalsContact CD1-CA 3.41Å; I400-A432 HydrophobicContact CD1-CB 3.4Å; I400-A432 WeakPolarHBondContact CD1-O 3.19Å
401S80Confident80.6Confident52 Ų5258 Ų5836%0.36432%0.321SS..  trans-76.6157.7173.483.60000111.6V403 D404 F405S401-V403 PolarHBondContact O-N 3.2Å; S401-V403 PolarHBondContact OG-N 3.17Å; S401-D404 WeakPolarHBondContact CB-OD2 3.17Å; S401-D404 PolarHBondContact O-N 2.97Å; S401-D404 PolarHBondContact OG-N 3.49Å; S401-D404 VanDerWaalsContact OG-N 3.12Å; S401-D404 PolarHBondContact OG-OD2 2.91Å; S401-F405 WeakPolarHBondContact O-CB 2.98Å; S401-F405 PolarHBondContact O-N 3.42Å
402S78.6Confident80.7Confident74 Ų7456.2 Ų56.252%0.51731%0.31SS..Hα-helixtrans-60-37.2176.461.60000112.1F405 D406S402-F405 WeakPolarHBondContact O-CB 3.48Å; S402-F405 PolarHBondContact O-N 2.95Å; S402-D406 WeakPolarHBondContact O-CB 3.38Å; S402-D406 PolarHBondContact O-N 3.03Å
403V81.6Confident81.1Confident90 Ų9049.8 Ų49.855%0.54528%0.28SS..Hα-helixtrans-65-42178-177.20000111.3S401 D406 N407S401-V403 PolarHBondContact O-N 3.2Å; S401-V403 PolarHBondContact OG-N 3.17Å; V403-D406 PolarHBondContact O-N 2.88Å; V403-N407 PolarHBondContact O-N 2.9Å; V403-N407 PolarHBondContact O-ND2 2.97Å
404D82.9Confident81Confident69 Ų6949.2 Ų49.237%0.36928%0.277SS..Hα-helixtrans-67.4-38.7175.3-63-55.5000111I400 S401 N407 I408I400-D404 HydrophobicContact CG2-CB 3.43Å; I400-D404 VanDerWaalsContact CG2-CB 3.43Å; S401-D404 WeakPolarHBondContact CB-OD2 3.17Å; S401-D404 PolarHBondContact O-N 2.97Å; S401-D404 PolarHBondContact OG-N 3.49Å; S401-D404 VanDerWaalsContact OG-N 3.12Å; S401-D404 PolarHBondContact OG-OD2 2.91Å; D404-N407 PolarHBondContact O-N 2.87Å; D404-I408 WeakPolarHBondContact O-CD1 3.16Å; D404-I408 VanDerWaalsContact O-CG1 3.28Å; D404-I408 WeakPolarHBondContact O-CG1 3.42Å; D404-I408 PolarHBondContact O-N 3.48Å
405F84.9Confident80.7Confident3 Ų350.5 Ų50.51%0.01328%0.284CS..Hα-helixtrans-62.2-44.7173.8176.1-89.6000112.3R387 V390 T391 F394 I400 S401 S402 N407 I408 W409R387-F405 HydrophobicContact CG-CE1 3.97Å; R387-F405 HydrophobicContact CG-CZ 4.48Å; V390-F405 HydrophobicContact CB-CE2 4.27Å; V390-F405 HydrophobicContact CB-CZ 4.2Å; V390-F405 HydrophobicContact CG1-CE2 4.02Å; V390-F405 HydrophobicContact CG1-CZ 4.39Å; T391-F405 HydrophobicContact CG2-CD1 4.39Å; T391-F405 HydrophobicContact CG2-CE1 4.42Å; T391-F405 WeakPolarHBondContact OG1-CE1 3.36Å; T391-F405 VanDerWaalsContact OG1-CZ 3.31Å; T391-F405 WeakPolarHBondContact OG1-CZ 3.5Å; F394-F405 HydrophobicContact CB-CD2 3.97Å; F394-F405 HydrophobicContact CB-CE2 4.17Å; F394-F405 AromaticContact CD2-CD2 3.83Å; F394-F405 HydrophobicContact CD2-CD2 3.83Å; F394-F405 AromaticContact CD2-CE2 3.71Å; F394-F405 HydrophobicContact CD2-CE2 3.71Å; F394-F405 HydrophobicContact CE2-CE2 4.39Å; F394-F405 HydrophobicContact CG-CD2 4.3Å; F394-F405 HydrophobicContact CG-CE2 4.17Å; I400-F405 HydrophobicContact CG2-CB 4.44Å; S401-F405 WeakPolarHBondContact O-CB 2.98Å; S401-F405 PolarHBondContact O-N 3.42Å; S402-F405 WeakPolarHBondContact O-CB 3.48Å; S402-F405 PolarHBondContact O-N 2.95Å; F405-N407 PolarHBondContact O-N 3.47Å; F405-I408 WeakPolarHBondContact O-CB 3.39Å; F405-I408 PolarHBondContact O-N 2.9Å; F405-I408 VanDerWaalsContact O-N 3.12Å; F405-W409 HydrophobicContact CE1-CE3 4.04Å; F405-W409 AromaticContact CZ-CE3 3.65Å; F405-W409 HydrophobicContact CZ-CE3 3.65Å; F405-W409 HydrophobicContact CZ-CZ3 4.19Å; F405-W409 PolarHBondContact O-N 3.09Å
406D83Confident80.4Confident58 Ų5854.6 Ų54.631%0.3129%0.293SS..Hα-helixtrans-59.8-37.7178.4-66.8-28.9000111.2R387 S402 V403 L410R387-D406 IonicContact CZ-OD1 2.7Å; R387-D406 IonicContact NE-OD1 2.9Å; R387-D406 IonicContact NH2-OD1 2.64Å; R387-D406 PolarHBondContact NH2-OD1 3.37Å; S402-D406 WeakPolarHBondContact O-CB 3.38Å; S402-D406 PolarHBondContact O-N 3.03Å; V403-D406 PolarHBondContact O-N 2.88Å; D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.48Å; D406-L410 PolarHBondContact O-N 3.28Å; D406-L410 VanDerWaalsContact O-N 3.09Å
407N82.4Confident80.6Confident69 Ų6953.2 Ų53.237%0.36927%0.274SS..Hα-helixtrans-75-34.2175.2-68.8-54.5000113.4V403 D404 F405 W409 T411 L442V403-N407 PolarHBondContact O-N 2.9Å; V403-N407 PolarHBondContact O-ND2 2.97Å; D404-N407 PolarHBondContact O-N 2.87Å; F405-N407 PolarHBondContact O-N 3.47Å; N407-W409 VanDerWaalsContact C-N 3.35Å; N407-T411 WeakPolarHBondContact O-CG2 3.28Å; N407-T411 PolarHBondContact O-N 2.84Å; N407-T411 PolarHBondContact O-OG1 2.89Å; N407-L442 HydrophobicContact CB-CD2 3.74Å
408I84Confident80.4Confident1 Ų154.6 Ų54.61%0.00528%0.284CS..Hα-helixtrans-62.3-45169.7-69.6158.7000109.7F394 I400 D404 F405 T411 A412 A428 L431 A432 L435 L442F394-I408 HydrophobicContact CE2-CG2 4.46Å; I400-I408 HydrophobicContact CD1-CD1 3.89Å; I400-I408 HydrophobicContact CG2-CD1 4.12Å; D404-I408 WeakPolarHBondContact O-CD1 3.16Å; D404-I408 VanDerWaalsContact O-CG1 3.28Å; D404-I408 WeakPolarHBondContact O-CG1 3.42Å; D404-I408 PolarHBondContact O-N 3.48Å; F405-I408 WeakPolarHBondContact O-CB 3.39Å; F405-I408 PolarHBondContact O-N 2.9Å; F405-I408 VanDerWaalsContact O-N 3.12Å; I408-T411 PolarHBondContact O-N 3.11Å; I408-T411 VanDerWaalsContact O-N 3.17Å; I408-T411 PolarHBondContact O-OG1 2.94Å; I408-T411 VanDerWaalsContact O-OG1 3.12Å; I408-A412 WeakPolarHBondContact O-CB 3.33Å; I408-A412 PolarHBondContact O-N 3.35Å; I408-A428 HydrophobicContact CG2-CB 4.13Å; I408-L431 HydrophobicContact CG1-CB 4.35Å; I408-L431 HydrophobicContact CG2-CB 4.1Å; I408-L431 HydrophobicContact CG2-CD1 4.5Å; I408-A432 HydrophobicContact CD1-CB 4.12Å; I408-L435 HydrophobicContact CD1-CD1 3.63Å; I408-L435 HydrophobicContact CG1-CD1 3.51Å; I408-L442 HydrophobicContact CG1-CD1 4.47Å
409W84.8Confident80.6Confident4 Ų459.4 Ų59.42%0.01530%0.303CS..Hα-helixtrans-56.4-55.7177.1-168.8-75.1000110.5R387 V390 F405 N407 T411 A412 D413 N418 L420R387-W409 VanDerWaalsContact CA-CH2 3.49Å; R387-W409 VanDerWaalsContact CA-CZ3 3.47Å; R387-W409 HydrophobicContact CB-CE3 4.34Å; R387-W409 HydrophobicContact CB-CH2 3.95Å; R387-W409 HydrophobicContact CB-CZ2 4.19Å; R387-W409 HydrophobicContact CB-CZ3 4.04Å; R387-W409 HydrophobicContact CG-CD2 4.11Å; R387-W409 HydrophobicContact CG-CE3 3.95Å; R387-W409 HydrophobicContact CG-CH2 4.45Å; R387-W409 HydrophobicContact CG-CZ3 4.14Å; R387-W409 VanDerWaalsContact NH1-CD1 3.33Å; V390-W409 HydrophobicContact CB-CZ3 4.11Å; V390-W409 HydrophobicContact CG2-CZ3 4.16Å; F405-W409 HydrophobicContact CE1-CE3 4.04Å; F405-W409 AromaticContact CZ-CE3 3.65Å; F405-W409 HydrophobicContact CZ-CE3 3.65Å; F405-W409 HydrophobicContact CZ-CZ3 4.19Å; F405-W409 PolarHBondContact O-N 3.09Å; N407-W409 VanDerWaalsContact C-N 3.35Å; W409-T411 PolarHBondContact O-N 3.46Å; W409-A412 PolarHBondContact O-N 3.02Å; W409-A412 VanDerWaalsContact O-N 3.07Å; W409-D413 PolarHBondContact NE1-OD2 3.3Å; W409-D413 WeakPolarHBondContact O-CB 3.41Å; W409-D413 PolarHBondContact O-N 3.08Å; W409-N418 WeakPolarHBondContact CZ2-O 3.35Å; W409-L420 HydrophobicContact CE3-CD1 3.82Å; W409-L420 HydrophobicContact CE3-CG 4.31Å; W409-L420 HydrophobicContact CH2-CB 4.38Å; W409-L420 HydrophobicContact CH2-CD1 3.73Å; W409-L420 HydrophobicContact CH2-CG 3.61Å; W409-L420 HydrophobicContact CZ2-CD1 4.45Å; W409-L420 HydrophobicContact CZ2-CG 3.98Å; W409-L420 HydrophobicContact CZ3-CD1 3.35Å; W409-L420 HydrophobicContact CZ3-CG 3.79Å
410L83.3Confident80.7Confident98 Ų9850.4 Ų50.451%0.51326%0.264SS..Hα-helixtrans-63.4-7.2179.9-69169.3000115.3D406D406-L410 VanDerWaalsContact O-CG 3.29Å; D406-L410 WeakPolarHBondContact O-CG 3.48Å; D406-L410 PolarHBondContact O-N 3.28Å; D406-L410 VanDerWaalsContact O-N 3.09Å
411T81.3Confident81Confident38 Ų3852 Ų5223%0.23327%0.273CS..Hα-helixtrans-113.6-11.3175.150.90000114.2N407 I408 W409 L442 V446N407-T411 WeakPolarHBondContact O-CG2 3.28Å; N407-T411 PolarHBondContact O-N 2.84Å; N407-T411 PolarHBondContact O-OG1 2.89Å; I408-T411 PolarHBondContact O-N 3.11Å; I408-T411 VanDerWaalsContact O-N 3.17Å; I408-T411 PolarHBondContact O-OG1 2.94Å; I408-T411 VanDerWaalsContact O-OG1 3.12Å; W409-T411 PolarHBondContact O-N 3.46Å; T411-L442 HydrophobicContact CG2-CD2 4.24Å; T411-V446 HydrophobicContact CG2-CG2 4.31Å
412A83.7Confident81.2Confident0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-102.9-34.5175.600000113.2I408 W409 I414 L420 E424 L427 A428I408-A412 WeakPolarHBondContact O-CB 3.33Å; I408-A412 PolarHBondContact O-N 3.35Å; W409-A412 PolarHBondContact O-N 3.02Å; W409-A412 VanDerWaalsContact O-N 3.07Å; A412-I414 PolarHBondContact O-N 2.61Å; A412-I414 VanDerWaalsContact O-N 3.13Å; A412-L420 HydrophobicContact CB-CD2 4.04Å; A412-E424 WeakPolarHBondContact O-CB 3.35Å; A412-E424 VanDerWaalsContact O-CG 3.31Å; A412-E424 WeakPolarHBondContact O-CG 3.43Å; A412-L427 HydrophobicContact CB-CD2 4.35Å; A412-L427 HydrophobicContact CB-CG 4.17Å; A412-A428 HydrophobicContact CB-CB 3.6Å
413D84.8Confident81.4Confident8 Ų850.9 Ų50.94%0.04326%0.257CS..  trans-71.590.5168.6-175.8-18.9000108.3W409 N415 R416 N418 L420W409-D413 PolarHBondContact NE1-OD2 3.3Å; W409-D413 WeakPolarHBondContact O-CB 3.41Å; W409-D413 PolarHBondContact O-N 3.08Å; D413-N415 PolarHBondContact OD1-OD1 3.14Å; D413-N415 VanDerWaalsContact OD1-OD1 3.04Å; D413-R416 WeakPolarHBondContact OD1-CA 3.2Å; D413-R416 PolarHBondContact OD1-N 3.26Å; D413-N418 WeakPolarHBondContact OD2-CA 3.45Å; D413-N418 PolarHBondContact OD2-N 3.17Å; D413-L420 HydrophobicContact CB-CD2 4.39Å
414I75.9Confident81.6Confident29 Ų2946.6 Ų46.615%0.14923%0.231CC..SBendtrans-90.6-34-172.1-70.3163.9000110.4A412 E424 L427 I453 I456 T457 L460A412-I414 PolarHBondContact O-N 2.61Å; A412-I414 VanDerWaalsContact O-N 3.13Å; I414-E424 WeakPolarHBondContact CB-OE1 3.46Å; I414-E424 PolarHBondContact N-OE1 2.9Å; I414-L427 HydrophobicContact CD1-CD2 3.78Å; I414-I453 HydrophobicContact CD1-CG2 4.32Å; I414-I456 HydrophobicContact CD1-CB 4.14Å; I414-I456 HydrophobicContact CD1-CD1 3.97Å; I414-I456 HydrophobicContact CD1-CG2 3.91Å; I414-T457 HydrophobicContact CG2-CG2 3.87Å; I414-L460 HydrophobicContact CB-CD1 4.37Å; I414-L460 HydrophobicContact CG2-CD1 3.72Å
415N75.6Confident81.8Confident29 Ų2943.5 Ų43.516%0.15521%0.214CC..SBendtrans-77.2-24.3176.45413.4000114D413 D417 E424D413-N415 PolarHBondContact OD1-OD1 3.14Å; D413-N415 VanDerWaalsContact OD1-OD1 3.04Å; N415-D417 VanDerWaalsContact CG-CG 3.41Å; N415-D417 VanDerWaalsContact CG-OD2 3.29Å; N415-D417 VanDerWaalsContact ND2-CG 3.34Å; N415-D417 PolarHBondContact ND2-OD1 2.8Å; N415-D417 PolarHBondContact ND2-OD2 3.14Å; N415-D417 PolarHBondContact OD1-N 3.42Å; N415-D417 PolarHBondContact OD1-OD1 3.44Å; N415-E424 PolarHBondContact N-OE1 3.41Å; N415-E424 PolarHBondContact ND2-OE2 2.64Å; N415-E424 PolarHBondContact OD1-OE1 3.4Å
416R72.5Confident82Confident143 Ų14343.4 Ų43.454%0.5421%0.214SC..  trans65.132.5-177.5-63.2-178.1168-171.8-3.9114.7D413 H474D413-R416 WeakPolarHBondContact OD1-CA 3.2Å; D413-R416 PolarHBondContact OD1-N 3.26Å; R416-H474 PolarHBondContact NH2-CD2 3.4Å; R416-H474 PolarHBondContact NH2-NE2 3.48Å
417D80.7Confident82.1Confident51 Ų5140.7 Ų40.727%0.27320%0.2SC..SBendtrans-85.9-7.2172.35915.2000113.3N415 Y419N415-D417 VanDerWaalsContact CG-CG 3.41Å; N415-D417 VanDerWaalsContact CG-OD2 3.29Å; N415-D417 VanDerWaalsContact ND2-CG 3.34Å; N415-D417 PolarHBondContact ND2-OD1 2.8Å; N415-D417 PolarHBondContact ND2-OD2 3.14Å; N415-D417 PolarHBondContact OD1-N 3.42Å; N415-D417 PolarHBondContact OD1-OD1 3.44Å; D417-Y419 HydrophobicContact CB-CD2 4.42Å; D417-Y419 VanDerWaalsContact O-CD2 3.29Å; D417-Y419 WeakPolarHBondContact O-CD2 3.49Å; D417-Y419 WeakPolarHBondContact OD1-CA 3.23Å; D417-Y419 VanDerWaalsContact OD1-CB 3.3Å; D417-Y419 WeakPolarHBondContact OD1-CB 3.3Å; D417-Y419 PolarHBondContact OD1-N 3.28Å; D417-Y419 VanDerWaalsContact OD1-O 3.09Å
418N76.6Confident82.4Confident111 Ų11137.5 Ų37.559%0.59418%0.182SC*.SBendtrans71.325-173.1-43.6-95000113.7W409 D413W409-N418 WeakPolarHBondContact CZ2-O 3.35Å; D413-N418 WeakPolarHBondContact OD2-CA 3.45Å; D413-N418 PolarHBondContact OD2-N 3.17Å
419Y80.4Confident82.5Confident116 Ų11637.4 Ų37.446%0.45518%0.182SC..  trans-144.5100.3-166.1-81-51.3000111.3V384 T386 D417 D421V384-Y419 HydrophobicContact CG1-CD1 3.2Å; V384-Y419 HydrophobicContact CG1-CD2 4.45Å; V384-Y419 HydrophobicContact CG1-CE1 4.04Å; V384-Y419 HydrophobicContact CG1-CG 3.44Å; V384-Y419 VanDerWaalsContact CG1-CG 3.44Å; T386-Y419 HydrophobicContact CG2-CE1 4.25Å; D417-Y419 HydrophobicContact CB-CD2 4.42Å; D417-Y419 VanDerWaalsContact O-CD2 3.29Å; D417-Y419 WeakPolarHBondContact O-CD2 3.49Å; D417-Y419 WeakPolarHBondContact OD1-CA 3.23Å; D417-Y419 VanDerWaalsContact OD1-CB 3.3Å; D417-Y419 WeakPolarHBondContact OD1-CB 3.3Å; D417-Y419 PolarHBondContact OD1-N 3.28Å; D417-Y419 VanDerWaalsContact OD1-O 3.09Å; Y419-D421 PolarHBondContact O-N 3.24Å; Y419-D421 VanDerWaalsContact O-N 3.13Å
420L81.5Confident82.5Confident0 Ų037.3 Ų37.30%018%0.182CC..BIsolated β-bridgetrans-67.5117.1-176.9-70.5172.6000111.7V385 V390 W409 A412 D413 E424 F425 A428V385-L420 PolarHBondContact N-O 2.91Å; V385-L420 VanDerWaalsContact N-O 3.16Å; V385-L420 PolarHBondContact O-N 2.81Å; V390-L420 HydrophobicContact CG1-CD1 4.31Å; V390-L420 HydrophobicContact CG2-CD1 4.22Å; W409-L420 HydrophobicContact CE3-CD1 3.82Å; W409-L420 HydrophobicContact CE3-CG 4.31Å; W409-L420 HydrophobicContact CH2-CB 4.38Å; W409-L420 HydrophobicContact CH2-CD1 3.73Å; W409-L420 HydrophobicContact CH2-CG 3.61Å; W409-L420 HydrophobicContact CZ2-CD1 4.45Å; W409-L420 HydrophobicContact CZ2-CG 3.98Å; W409-L420 HydrophobicContact CZ3-CD1 3.35Å; W409-L420 HydrophobicContact CZ3-CG 3.79Å; A412-L420 HydrophobicContact CB-CD2 4.04Å; D413-L420 HydrophobicContact CB-CD2 4.39Å; L420-E424 HydrophobicContact CD2-CB 3.72Å; L420-F425 HydrophobicContact CB-CB 4.36Å; L420-A428 HydrophobicContact CD1-CB 3.97Å
421D82.7Confident82.7Confident49 Ų4932.6 Ų32.626%0.26216%0.157SC..  trans-69.7174.5166.7105.8-15.7000111.5Y419 A423 E424 F425Y419-D421 PolarHBondContact O-N 3.24Å; Y419-D421 VanDerWaalsContact O-N 3.13Å; D421-A423 VanDerWaalsContact C-N 3.32Å; D421-A423 PolarHBondContact O-N 3.24Å; D421-A423 WeakPolarHBondContact OD1-CA 3.31Å; D421-A423 WeakPolarHBondContact OD1-CB 3.43Å; D421-A423 PolarHBondContact OD1-N 2.98Å; D421-E424 PolarHBondContact N-OE2 2.96Å; D421-E424 PolarHBondContact O-N 2.9Å; D421-E424 WeakPolarHBondContact OD1-CG 3.44Å; D421-E424 PolarHBondContact OD1-N 3.17Å; D421-F425 VanDerWaalsContact O-CB 3.25Å; D421-F425 WeakPolarHBondContact O-CB 3.46Å; D421-F425 PolarHBondContact O-N 2.86Å
422K83.8Confident82.9Confident76 Ų7630.8 Ų30.833%0.3315%0.146SC..Hα-helixtrans-61.9-34.9-177.2-171.9164.7-177.8170.30114.1F366 D367 C426F366-K422 HydrophobicContact CB-CG 4.44Å; F366-K422 HydrophobicContact CD1-CB 3.95Å; F366-K422 HydrophobicContact CD1-CD 3.76Å; F366-K422 HydrophobicContact CD1-CG 3.65Å; F366-K422 HydrophobicContact CD2-CB 4.44Å; F366-K422 HydrophobicContact CD2-CG 4.48Å; F366-K422 HydrophobicContact CE1-CB 3.63Å; F366-K422 HydrophobicContact CE1-CD 3.98Å; F366-K422 HydrophobicContact CE1-CG 3.87Å; F366-K422 HydrophobicContact CE2-CB 4.14Å; F366-K422 HydrophobicContact CG-CB 4.33Å; F366-K422 HydrophobicContact CG-CD 4.49Å; F366-K422 HydrophobicContact CG-CG 3.97Å; F366-K422 HydrophobicContact CZ-CB 3.72Å; F366-K422 HydrophobicContact CZ-CG 4.35Å; D367-K422 WeakPolarHBondContact OD1-CE 3.25Å; D367-K422 IonicContact OD1-NZ 3.43Å; D367-K422 PolarHBondContact OD1-NZ 2.87Å; D367-K422 IonicContact OD2-NZ 2.86Å; D367-K422 PolarHBondContact OD2-NZ 3.32Å; K422-C426 PolarHBondContact O-N 3.01Å; K422-C426 PolarHBondContact O-SG 3.37Å
423A82.8Confident82.9Confident27 Ų2732.4 Ų32.422%0.22315%0.154CC..Hα-helixtrans-82.5-37.5178.700000111.7D421 C426 L427 Y452 I456D421-A423 VanDerWaalsContact C-N 3.32Å; D421-A423 PolarHBondContact O-N 3.24Å; D421-A423 WeakPolarHBondContact OD1-CA 3.31Å; D421-A423 WeakPolarHBondContact OD1-CB 3.43Å; D421-A423 PolarHBondContact OD1-N 2.98Å; A423-C426 WeakPolarHBondContact O-CB 3.38Å; A423-C426 PolarHBondContact O-N 2.65Å; A423-L427 PolarHBondContact O-N 2.86Å; A423-Y452 WeakPolarHBondContact O-CE1 3.21Å; A423-I456 HydrophobicContact CB-CD1 4.2Å; A423-I456 HydrophobicContact CB-CG1 3.96Å
424E86.9Confident82.8Confident0 Ų032 Ų320%015%0.152CC..Hα-helixtrans-64.8-39.6172.9-66-179.1133.200111A412 I414 N415 L420 D421 C426 L427 A428 I456A412-E424 WeakPolarHBondContact O-CB 3.35Å; A412-E424 VanDerWaalsContact O-CG 3.31Å; A412-E424 WeakPolarHBondContact O-CG 3.43Å; I414-E424 WeakPolarHBondContact CB-OE1 3.46Å; I414-E424 PolarHBondContact N-OE1 2.9Å; N415-E424 PolarHBondContact N-OE1 3.41Å; N415-E424 PolarHBondContact ND2-OE2 2.64Å; N415-E424 PolarHBondContact OD1-OE1 3.4Å; L420-E424 HydrophobicContact CD2-CB 3.72Å; D421-E424 PolarHBondContact N-OE2 2.96Å; D421-E424 PolarHBondContact O-N 2.9Å; D421-E424 WeakPolarHBondContact OD1-CG 3.44Å; D421-E424 PolarHBondContact OD1-N 3.17Å; E424-C426 PolarHBondContact O-N 2.9Å; E424-L427 WeakPolarHBondContact O-CB 3.35Å; E424-L427 PolarHBondContact O-N 3Å; E424-A428 WeakPolarHBondContact O-CB 3.45Å; E424-A428 PolarHBondContact O-N 3.31Å; E424-I456 HydrophobicContact CG-CG2 4.41Å
425F87Confident83Confident3 Ų332 Ų321%0.01315%0.151CC..Hα-helixtrans-63.1-38.9170.2-179.4-91000112.6Q365 F366 V390 L393 F394 L420 D421 L427 A428 S429Q365-F425 HydrophobicContact CB-CE1 4.4Å; F366-F425 HydrophobicContact CB-CD1 3.78Å; F366-F425 HydrophobicContact CB-CE1 3.97Å; F366-F425 HydrophobicContact CB-CG 4.47Å; F366-F425 HydrophobicContact CD2-CB 3.64Å; F366-F425 AromaticContact CD2-CD1 3.83Å; F366-F425 HydrophobicContact CD2-CD1 3.83Å; F366-F425 HydrophobicContact CD2-CD2 4.23Å; F366-F425 AromaticContact CD2-CG 3.64Å; F366-F425 HydrophobicContact CD2-CG 3.64Å; F366-F425 HydrophobicContact CE2-CB 4.03Å; F366-F425 HydrophobicContact CE2-CG 4.43Å; F366-F425 HydrophobicContact CG-CD1 4.31Å; V390-F425 HydrophobicContact CG1-CD2 4.34Å; V390-F425 HydrophobicContact CG1-CE2 4.08Å; V390-F425 HydrophobicContact CG2-CD2 4.21Å; V390-F425 HydrophobicContact CG2-CE2 4.15Å; L393-F425 HydrophobicContact CD1-CE2 4.36Å; L393-F425 HydrophobicContact CD1-CZ 4.36Å; F394-F425 HydrophobicContact CE1-CE2 4.18Å; F394-F425 HydrophobicContact CE1-CZ 4.37Å; F394-F425 HydrophobicContact CZ-CE2 4.39Å; L420-F425 HydrophobicContact CB-CB 4.36Å; D421-F425 VanDerWaalsContact O-CB 3.25Å; D421-F425 WeakPolarHBondContact O-CB 3.46Å; D421-F425 PolarHBondContact O-N 2.86Å; F425-L427 VanDerWaalsContact C-N 3.33Å; F425-A428 PolarHBondContact O-N 3.11Å; F425-S429 WeakPolarHBondContact CE1-OG 3.31Å; F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.35Å; F425-S429 PolarHBondContact O-N 3.25Å; F425-S429 PolarHBondContact O-OG 3.42Å
426C87.7Confident83Confident2 Ų232.4 Ų32.41%0.01416%0.163CC..Hα-helixtrans-64.5-37.6173.7-71.80000112.1L354 K422 A423 E424 H430 Y452L354-C426 HydrophobicContact CD2-CB 4.38Å; K422-C426 PolarHBondContact O-N 3.01Å; K422-C426 PolarHBondContact O-SG 3.37Å; A423-C426 WeakPolarHBondContact O-CB 3.38Å; A423-C426 PolarHBondContact O-N 2.65Å; E424-C426 PolarHBondContact O-N 2.9Å; C426-H430 WeakPolarHBondContact O-CB 3.23Å; C426-H430 PolarHBondContact O-N 2.72Å; C426-H430 VanDerWaalsContact O-N 3.14Å; C426-Y452 HydrophobicContact CB-CE1 4.3Å
427L86.5Confident82.9Confident1 Ų131.9 Ų31.91%0.00517%0.166CC..Hα-helixtrans-65.2-48.817217558.6000110.9A412 I414 A423 E424 F425 S429 H430 L431 C449 Y452 I453 I456A412-L427 HydrophobicContact CB-CD2 4.35Å; A412-L427 HydrophobicContact CB-CG 4.17Å; I414-L427 HydrophobicContact CD1-CD2 3.78Å; A423-L427 PolarHBondContact O-N 2.86Å; E424-L427 WeakPolarHBondContact O-CB 3.35Å; E424-L427 PolarHBondContact O-N 3Å; F425-L427 VanDerWaalsContact C-N 3.33Å; L427-S429 PolarHBondContact O-N 2.78Å; L427-H430 PolarHBondContact O-N 3.34Å; L427-L431 HydrophobicContact CD1-CD1 3.91Å; L427-L431 HydrophobicContact CD1-CG 3.97Å; L427-L431 HydrophobicContact CG-CD1 3.99Å; L427-L431 HydrophobicContact CG-CG 4.46Å; L427-L431 WeakPolarHBondContact O-CB 3.33Å; L427-L431 VanDerWaalsContact O-CG 3.31Å; L427-L431 WeakPolarHBondContact O-CG 3.48Å; L427-L431 PolarHBondContact O-N 3.13Å; L427-C449 HydrophobicContact CD1-CB 3.85Å; L427-Y452 HydrophobicContact CB-CD1 4.08Å; L427-Y452 HydrophobicContact CB-CE1 4.07Å; L427-Y452 HydrophobicContact CD1-CD1 4.35Å; L427-I453 HydrophobicContact CD1-CD1 4.46Å; L427-I453 HydrophobicContact CD1-CG1 4.02Å; L427-I453 HydrophobicContact CD2-CG1 3.8Å; L427-I456 HydrophobicContact CB-CD1 4.15Å; L427-I456 HydrophobicContact CD2-CD1 3.98Å
428A87.5Confident82.5Confident1 Ų135 Ų351%0.00817%0.174CC..Hα-helixtrans-58.8-47.9179.100000111.8F394 I408 A412 L420 E424 F425 H430 L431 A432F394-A428 HydrophobicContact CE2-CB 3.76Å; F394-A428 WeakPolarHBondContact CE2-O 3.49Å; F394-A428 HydrophobicContact CZ-CB 3.94Å; I408-A428 HydrophobicContact CG2-CB 4.13Å; A412-A428 HydrophobicContact CB-CB 3.6Å; L420-A428 HydrophobicContact CD1-CB 3.97Å; E424-A428 WeakPolarHBondContact O-CB 3.45Å; E424-A428 PolarHBondContact O-N 3.31Å; F425-A428 PolarHBondContact O-N 3.11Å; A428-H430 PolarHBondContact O-N 2.92Å; A428-L431 PolarHBondContact O-N 3.16Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.23Å
429S85.9Confident82.5Confident0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-65.2-36.7179.7-59.60000112.6F394 F425 L427 H433F394-S429 WeakPolarHBondContact CE1-OG 3.46Å; F394-S429 WeakPolarHBondContact CZ-OG 3.47Å; F425-S429 WeakPolarHBondContact CE1-OG 3.31Å; F425-S429 VanDerWaalsContact O-CB 3.31Å; F425-S429 WeakPolarHBondContact O-CB 3.35Å; F425-S429 PolarHBondContact O-N 3.25Å; F425-S429 PolarHBondContact O-OG 3.42Å; L427-S429 PolarHBondContact O-N 2.78Å; S429-H433 WeakPolarHBondContact O-CB 3.16Å; S429-H433 PolarHBondContact O-N 3.4Å
430H86.1Confident82.3Confident1 Ų128 Ų281%0.00516%0.161CC..Hα-helixtrans-74.6-41.6176.2-176.392.6000111.9F352 L354 R358 Y362 C426 L427 A428 A432 H433 L434 C449F352-H430 PolarHBondContact O-CE1 2.96Å; F352-H430 VanDerWaalsContact O-CE1 3.24Å; F352-H430 PolarHBondContact O-NE2 3.31Å; L354-H430 HydrophobicContact CD1-CB 4.15Å; L354-H430 HydrophobicContact CD2-CB 4.48Å; R358-H430 PolarHBondContact NH2-CE1 2.8Å; R358-H430 PolarHBondContact NH2-ND1 3.08Å; Y362-H430 HydrophobicContact CD2-CB 4.27Å; Y362-H430 HydrophobicContact CE2-CB 3.65Å; Y362-H430 AromaticContact CE2-ND1 3.97Å; C426-H430 WeakPolarHBondContact O-CB 3.23Å; C426-H430 PolarHBondContact O-N 2.72Å; C426-H430 VanDerWaalsContact O-N 3.14Å; L427-H430 PolarHBondContact O-N 3.34Å; A428-H430 PolarHBondContact O-N 2.92Å; H430-A432 VanDerWaalsContact C-N 3.31Å; H430-A432 PolarHBondContact O-N 3.22Å; H430-H433 PolarHBondContact O-N 3.26Å; H430-L434 WeakPolarHBondContact O-CG 3.36Å; H430-L434 PolarHBondContact O-N 3.24Å; H430-C449 PolarHBondContact CD2-SG 3.26Å
431L85.7Confident82.2Confident0 Ų030.8 Ų30.80%018%0.18CC..Hα-helixtrans-57.8-45.6171.3-73.4173.5000110.8I408 L427 A428 H433 L434 L435 A445 V446I408-L431 HydrophobicContact CG1-CB 4.35Å; I408-L431 HydrophobicContact CG2-CB 4.1Å; I408-L431 HydrophobicContact CG2-CD1 4.5Å; L427-L431 HydrophobicContact CD1-CD1 3.91Å; L427-L431 HydrophobicContact CD1-CG 3.97Å; L427-L431 HydrophobicContact CG-CD1 3.99Å; L427-L431 HydrophobicContact CG-CG 4.46Å; L427-L431 WeakPolarHBondContact O-CB 3.33Å; L427-L431 VanDerWaalsContact O-CG 3.31Å; L427-L431 WeakPolarHBondContact O-CG 3.48Å; L427-L431 PolarHBondContact O-N 3.13Å; A428-L431 PolarHBondContact O-N 3.16Å; L431-H433 PolarHBondContact O-N 3.49Å; L431-L434 PolarHBondContact O-N 2.84Å; L431-L434 VanDerWaalsContact O-N 3.12Å; L431-L435 PolarHBondContact O-N 3.32Å; L431-A445 HydrophobicContact CD2-CB 3.77Å; L431-V446 HydrophobicContact CD2-CG2 3.97Å
432A85.4Confident82.1Confident0 Ų030.5 Ų30.50%018%0.178CC..Hα-helixtrans-56.2-48.217400000112F394 Y398 I400 I408 A428 H430 L434 L435 G436F394-A432 HydrophobicContact CD2-CB 3.64Å; F394-A432 HydrophobicContact CE2-CB 3.85Å; F394-A432 HydrophobicContact CG-CB 4.15Å; Y398-A432 HydrophobicContact CD2-CB 3.61Å; Y398-A432 HydrophobicContact CE2-CB 4.02Å; Y398-A432 HydrophobicContact CG-CB 4.18Å; I400-A432 VanDerWaalsContact CD1-CA 3.41Å; I400-A432 HydrophobicContact CD1-CB 3.4Å; I400-A432 WeakPolarHBondContact CD1-O 3.19Å; I408-A432 HydrophobicContact CD1-CB 4.12Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.23Å; H430-A432 VanDerWaalsContact C-N 3.31Å; H430-A432 PolarHBondContact O-N 3.22Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-L434 PolarHBondContact O-N 2.79Å; A432-L435 PolarHBondContact O-N 3.46Å; A432-G436 PolarHBondContact O-N 2.97Å
433H84.2Confident81.9Confident34 Ų3432 Ų3216%0.15719%0.19CC..Hα-helixtrans-61.6-37.1174.3178.588.5000113.2R358 Y362 Y398 S429 H430 L431 H437 R438R358-H433 PolarHBondContact NH2-CD2 2.86Å; Y362-H433 WeakPolarHBondContact OH-CB 3.39Å; Y398-H433 HydrophobicContact CD1-CB 4.41Å; Y398-H433 HydrophobicContact CE1-CB 4.08Å; S429-H433 WeakPolarHBondContact O-CB 3.16Å; S429-H433 PolarHBondContact O-N 3.4Å; H430-H433 PolarHBondContact O-N 3.26Å; L431-H433 PolarHBondContact O-N 3.49Å; H433-H437 AromaticContact ND1-CD2 3.9Å; H433-H437 WeakPolarHBondContact O-CB 3.4Å; H433-H437 PolarHBondContact O-N 3.36Å; H433-H437 VanDerWaalsContact O-N 3.12Å; H433-R438 PolarHBondContact NE2-NE 2.91Å
434L83.2Confident81.8Confident0 Ų031.9 Ų31.90%019%0.186CC..Hα-helixtrans-69.2-37.6177.4-68-170.5000112.8F352 H430 L431 A432 R438 G439 L440 A445 A448F352-L434 HydrophobicContact CB-CD1 4.38Å; F352-L434 HydrophobicContact CB-CD2 4.02Å; F352-L434 HydrophobicContact CD1-CD2 4Å; F352-L434 HydrophobicContact CG-CD2 4.5Å; H430-L434 WeakPolarHBondContact O-CG 3.36Å; H430-L434 PolarHBondContact O-N 3.24Å; L431-L434 PolarHBondContact O-N 2.84Å; L431-L434 VanDerWaalsContact O-N 3.12Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-L434 PolarHBondContact O-N 2.79Å; L434-R438 CarbonylContact O-C 3.51Å; L434-R438 WeakPolarHBondContact O-CB 3.45Å; L434-R438 PolarHBondContact O-N 3.48Å; L434-G439 PolarHBondContact O-N 3.24Å; L434-L440 HydrophobicContact CB-CD1 3.92Å; L434-L440 HydrophobicContact CD1-CD1 4.33Å; L434-L440 HydrophobicContact CD2-CD1 3.91Å; L434-L440 HydrophobicContact CG-CD1 4.26Å; L434-L440 PolarHBondContact O-N 3.14Å; L434-A445 HydrophobicContact CB-CB 3.89Å; L434-A445 HydrophobicContact CD1-CB 3.85Å; L434-A448 HydrophobicContact CD1-CB 4.26Å
435L80.3Confident81.6Confident28 Ų2831.9 Ų31.915%0.14719%0.186CC..Hα-helixtrans-72.6-60.5175.3-80.4148.2000111I408 L431 A432 G439 L440 L442I408-L435 HydrophobicContact CD1-CD1 3.63Å; I408-L435 HydrophobicContact CG1-CD1 3.51Å; L431-L435 PolarHBondContact O-N 3.32Å; A432-L435 PolarHBondContact O-N 3.46Å; L435-G439 WeakPolarHBondContact O-CA 3.43Å; L435-G439 PolarHBondContact O-N 3.47Å; L435-L440 VanDerWaalsContact CD2-O 3.26Å; L435-L440 WeakPolarHBondContact CD2-O 3.38Å; L435-L442 HydrophobicContact CD1-CD1 3.9Å
436G74.6Confident81.4Confident38 Ų3832.5 Ų32.539%0.39219%0.189SC..Hα-helixtrans-67.5-45.7-172.400000114.9A432A432-G436 PolarHBondContact O-N 2.97Å
437H71.7Confident81.1Confident131 Ų13133.6 Ų33.661%0.60620%0.197SC*.THydrogen-bonded Turntrans-92.9-19.7-176.3-93.2-72.8000114.8H433H433-H437 AromaticContact ND1-CD2 3.9Å; H433-H437 WeakPolarHBondContact O-CB 3.4Å; H433-H437 PolarHBondContact O-N 3.36Å; H433-H437 VanDerWaalsContact O-N 3.12Å
438R72.5Confident80.8Confident116 Ų11633.8 Ų33.844%0.43820%0.199SC..THydrogen-bonded Turntrans-123.1-7.3-172.2-58.8-177.6179.4-139.7-4.9114.6H433 L434 L440H433-R438 PolarHBondContact NE2-NE 2.91Å; L434-R438 CarbonylContact O-C 3.51Å; L434-R438 WeakPolarHBondContact O-CB 3.45Å; L434-R438 PolarHBondContact O-N 3.48Å; R438-L440 HydrophobicContact CB-CD1 4.1Å; R438-L440 PolarHBondContact O-N 3.45Å
439G76.1Confident80.6Confident69 Ų6933.8 Ų33.871%0.71120%0.199SC*.  trans62.826.3173.600000114.4L434 L435L434-G439 PolarHBondContact O-N 3.24Å; L435-G439 WeakPolarHBondContact O-CA 3.43Å; L435-G439 PolarHBondContact O-N 3.47Å
440L76.4Confident80.4Confident13 Ų1335.8 Ų35.87%0.06821%0.208CC..  trans-72.9146.5171.9-74.7149.2000109.6W348 L349 F352 L434 L435 R438 D444W348-L440 HydrophobicContact CH2-CD2 3.66Å; W348-L440 HydrophobicContact CZ3-CD2 3.87Å; L349-L440 HydrophobicContact CD2-CD2 4.11Å; F352-L440 HydrophobicContact CD1-CD1 3.67Å; F352-L440 HydrophobicContact CE1-CD1 3.95Å; F352-L440 HydrophobicContact CG-CD1 4.27Å; L434-L440 HydrophobicContact CB-CD1 3.92Å; L434-L440 HydrophobicContact CD1-CD1 4.33Å; L434-L440 HydrophobicContact CD2-CD1 3.91Å; L434-L440 HydrophobicContact CG-CD1 4.26Å; L434-L440 PolarHBondContact O-N 3.14Å; L435-L440 VanDerWaalsContact CD2-O 3.26Å; L435-L440 WeakPolarHBondContact CD2-O 3.38Å; R438-L440 HydrophobicContact CB-CD1 4.1Å; R438-L440 PolarHBondContact O-N 3.45Å; L440-D444 HydrophobicContact CD2-CB 3.99Å
441S80.2Confident80.1Confident58 Ų5840 Ų4041%0.40624%0.237SC..  trans-67.1155.3165.666.90000110.1D443 D444 A445S441-D443 VanDerWaalsContact C-N 3.25Å; S441-D443 PolarHBondContact O-N 3.44Å; S441-D444 PolarHBondContact O-N 3.04Å; S441-D444 PolarHBondContact OG-N 3.04Å; S441-A445 PolarHBondContact O-N 3.08Å
442L80.1Confident80Confident42 Ų4240.6 Ų40.622%0.2224%0.239CC..Hα-helixtrans-54.2-43.3177.3-177.270.3000111.7N407 I408 T411 L435 D444 A445 V446N407-L442 HydrophobicContact CB-CD2 3.74Å; I408-L442 HydrophobicContact CG1-CD1 4.47Å; T411-L442 HydrophobicContact CG2-CD2 4.24Å; L435-L442 HydrophobicContact CD1-CD1 3.9Å; L442-D444 VanDerWaalsContact C-N 3.3Å; L442-D444 PolarHBondContact O-N 3.49Å; L442-A445 PolarHBondContact O-N 2.84Å; L442-V446 HydrophobicContact CD1-CG2 4.22Å; L442-V446 HydrophobicContact CG-CG2 4.28Å; L442-V446 WeakPolarHBondContact O-CB 3.48Å; L442-V446 WeakPolarHBondContact O-CG2 3.3Å; L442-V446 PolarHBondContact O-N 3.18Å
443D78.3Confident79.9Confident107 Ų10740.9 Ų40.957%0.57224%0.241SC*.Hα-helixtrans-57.7-41.9176.9-52.4-80000112.4S441 S447S441-D443 VanDerWaalsContact C-N 3.25Å; S441-D443 PolarHBondContact O-N 3.44Å; D443-S447 WeakPolarHBondContact O-CA 3.39Å; D443-S447 WeakPolarHBondContact O-CB 3.33Å; D443-S447 PolarHBondContact O-N 3.12Å
444D81.3Confident79.6Confident26 Ų2640.3 Ų40.314%0.13924%0.24CC..Hα-helixtrans-76.2-32179.7-85.5-6.7000112K345 L349 L440 S441 L442 S447 A448K345-D444 VanDerWaalsContact CE-CG 3.49Å; K345-D444 WeakPolarHBondContact CE-OD1 3.29Å; K345-D444 WeakPolarHBondContact CE-OD2 3.26Å; K345-D444 IonicContact NZ-OD1 2.6Å; K345-D444 PolarHBondContact NZ-OD1 2.62Å; K345-D444 IonicContact NZ-OD2 2.73Å; K345-D444 PolarHBondContact NZ-OD2 3.38Å; L349-D444 HydrophobicContact CD1-CB 4.44Å; L349-D444 HydrophobicContact CD2-CB 3.79Å; L440-D444 HydrophobicContact CD2-CB 3.99Å; S441-D444 PolarHBondContact O-N 3.04Å; S441-D444 PolarHBondContact OG-N 3.04Å; L442-D444 VanDerWaalsContact C-N 3.3Å; L442-D444 PolarHBondContact O-N 3.49Å; D444-S447 PolarHBondContact O-N 3.47Å; D444-A448 WeakPolarHBondContact O-CB 3.48Å; D444-A448 PolarHBondContact O-N 3.3Å
445A83.1Confident79.6Confident0 Ų044.4 Ų44.40%026%0.258CS..Hα-helixtrans-66.3-50171.900000111.6L431 L434 S441 L442 S447 A448 C449L431-A445 HydrophobicContact CD2-CB 3.77Å; L434-A445 HydrophobicContact CB-CB 3.89Å; L434-A445 HydrophobicContact CD1-CB 3.85Å; S441-A445 PolarHBondContact O-N 3.08Å; L442-A445 PolarHBondContact O-N 2.84Å; A445-S447 VanDerWaalsContact C-N 3.29Å; A445-S447 PolarHBondContact O-N 3.29Å; A445-A448 WeakPolarHBondContact O-CB 3.41Å; A445-A448 PolarHBondContact O-N 3.47Å; A445-C449 PolarHBondContact O-N 3.25Å; A445-C449 PolarHBondContact O-SG 2.63Å
446V82.7Confident79.7Confident15 Ų1543.4 Ų43.49%0.09125%0.253CS..Hα-helixtrans-60.7-39.8173.1171.40000110.6T411 L431 L442 A448 C449 K450 I453T411-V446 HydrophobicContact CG2-CG2 4.31Å; L431-V446 HydrophobicContact CD2-CG2 3.97Å; L442-V446 HydrophobicContact CD1-CG2 4.22Å; L442-V446 HydrophobicContact CG-CG2 4.28Å; L442-V446 WeakPolarHBondContact O-CB 3.48Å; L442-V446 WeakPolarHBondContact O-CG2 3.3Å; L442-V446 PolarHBondContact O-N 3.18Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 2.91Å; V446-C449 CarbonylContact O-C 3.5Å; V446-C449 WeakPolarHBondContact O-CA 3.37Å; V446-C449 PolarHBondContact O-N 3.34Å; V446-K450 PolarHBondContact O-N 2.94Å; V446-I453 HydrophobicContact CG1-CD1 3.88Å
447S80.7Confident79.9Confident26 Ų2642.6 Ų42.618%0.18224%0.24CC..Hα-helixtrans-66.4-30177.1-176.10000113.4L349 D443 D444 A445 K450L349-S447 WeakPolarHBondContact CD1-OG 3.35Å; D443-S447 WeakPolarHBondContact O-CA 3.39Å; D443-S447 WeakPolarHBondContact O-CB 3.33Å; D443-S447 PolarHBondContact O-N 3.12Å; D444-S447 PolarHBondContact O-N 3.47Å; A445-S447 VanDerWaalsContact C-N 3.29Å; A445-S447 PolarHBondContact O-N 3.29Å; S447-K450 WeakPolarHBondContact O-CD 3.22Å; S447-K450 VanDerWaalsContact O-CG 3.29Å; S447-K450 WeakPolarHBondContact O-CG 3.31Å; S447-K450 VanDerWaalsContact OG-CE 3.25Å; S447-K450 WeakPolarHBondContact OG-CE 3.3Å
448A81.6Confident80.2Confident4 Ų443.6 Ų43.63%0.03324%0.239CC..Hα-helixtrans-73-31.1167.300000112.8L349 F352 A353 L434 D444 A445 V446L349-A448 HydrophobicContact CB-CB 4.24Å; L349-A448 WeakPolarHBondContact O-CB 3.19Å; F352-A448 HydrophobicContact CB-CB 3.88Å; A353-A448 WeakPolarHBondContact CA-O 3.29Å; L434-A448 HydrophobicContact CD1-CB 4.26Å; D444-A448 WeakPolarHBondContact O-CB 3.48Å; D444-A448 PolarHBondContact O-N 3.3Å; A445-A448 WeakPolarHBondContact O-CB 3.41Å; A445-A448 PolarHBondContact O-N 3.47Å; V446-A448 VanDerWaalsContact C-N 3.33Å; V446-A448 PolarHBondContact O-N 2.91Å
449C83.6Confident80.2Confident2 Ų241.5 Ų41.51%0.01424%0.236CC..Hα-helixtrans-87.8-3.2-176.2-620000115L427 H430 A445 V446 S451 Y452 I453L427-C449 HydrophobicContact CD1-CB 3.85Å; H430-C449 PolarHBondContact CD2-SG 3.26Å; A445-C449 PolarHBondContact O-N 3.25Å; A445-C449 PolarHBondContact O-SG 2.63Å; V446-C449 CarbonylContact O-C 3.5Å; V446-C449 WeakPolarHBondContact O-CA 3.37Å; V446-C449 PolarHBondContact O-N 3.34Å; C449-S451 PolarHBondContact O-N 3.48Å; C449-Y452 WeakPolarHBondContact O-CA 3.42Å; C449-Y452 WeakPolarHBondContact O-CB 3.42Å; C449-Y452 PolarHBondContact O-N 2.9Å; C449-I453 HydrophobicContact CB-CD1 4.11Å; C449-I453 HydrophobicContact CB-CG1 4.43Å; C449-I453 PolarHBondContact O-N 3.01Å
450K80.5Confident79.9Confident42 Ų4240.8 Ų40.818%0.18322%0.216CC..Hα-helixtrans-43-46.1-177.8-66.5175.1-178-158.10113.9V446 S447 Y452 I453 S454 L483 L484V446-K450 PolarHBondContact O-N 2.94Å; S447-K450 WeakPolarHBondContact O-CD 3.22Å; S447-K450 VanDerWaalsContact O-CG 3.29Å; S447-K450 WeakPolarHBondContact O-CG 3.31Å; S447-K450 VanDerWaalsContact OG-CE 3.25Å; S447-K450 WeakPolarHBondContact OG-CE 3.3Å; K450-Y452 VanDerWaalsContact C-N 3.28Å; K450-Y452 PolarHBondContact O-N 3.06Å; K450-I453 PolarHBondContact O-N 3.49Å; K450-S454 VanDerWaalsContact O-CB 3.22Å; K450-S454 WeakPolarHBondContact O-CB 3.43Å; K450-S454 PolarHBondContact O-N 3.34Å; K450-S454 PolarHBondContact O-OG 3.23Å; K450-L483 WeakPolarHBondContact CD-O 3.29Å; K450-L483 WeakPolarHBondContact CE-O 3.42Å; K450-L483 PolarHBondContact NZ-O 2.81Å; K450-L484 HydrophobicContact CB-CD2 4.09Å; K450-L484 HydrophobicContact CG-CD2 4.08Å
451S80.6Confident79.6Confident88 Ų8847.1 Ų47.162%0.61524%0.239SC*.Hα-helixtrans-62.6-33.7-179.6-53.90000113.2C449 K455C449-S451 PolarHBondContact O-N 3.48Å; S451-K455 PolarHBondContact O-N 2.71Å
452Y83.1Confident78.8Confident14 Ų1451.2 Ų51.26%0.05525%0.249CC..Hα-helixtrans-81.7-40.9178.9-165.1-109000112.1L354 E359 A423 C426 L427 C449 K450 S454 K455 I456L354-Y452 HydrophobicContact CB-CG 4.43Å; L354-Y452 HydrophobicContact CD2-CD1 3.81Å; L354-Y452 HydrophobicContact CD2-CD2 3.94Å; L354-Y452 HydrophobicContact CD2-CE1 3.67Å; L354-Y452 HydrophobicContact CD2-CE2 3.83Å; L354-Y452 HydrophobicContact CD2-CG 3.93Å; E359-Y452 VanDerWaalsContact CD-CE2 3.42Å; E359-Y452 HydrophobicContact CG-CE2 4.15Å; E359-Y452 WeakPolarHBondContact OE1-CE2 3.37Å; E359-Y452 PolarHBondContact OE1-OH 3.38Å; A423-Y452 WeakPolarHBondContact O-CE1 3.21Å; C426-Y452 HydrophobicContact CB-CE1 4.3Å; L427-Y452 HydrophobicContact CB-CD1 4.08Å; L427-Y452 HydrophobicContact CB-CE1 4.07Å; L427-Y452 HydrophobicContact CD1-CD1 4.35Å; C449-Y452 WeakPolarHBondContact O-CA 3.42Å; C449-Y452 WeakPolarHBondContact O-CB 3.42Å; C449-Y452 PolarHBondContact O-N 2.9Å; K450-Y452 VanDerWaalsContact C-N 3.28Å; K450-Y452 PolarHBondContact O-N 3.06Å; Y452-S454 PolarHBondContact O-N 3.4Å; Y452-K455 HydrophobicContact CD2-CB 4.5Å; Y452-K455 HydrophobicContact CD2-CD 3.86Å; Y452-K455 HydrophobicContact CE2-CD 3.7Å; Y452-K455 WeakPolarHBondContact O-CA 3.44Å; Y452-K455 WeakPolarHBondContact O-CB 3.09Å; Y452-K455 PolarHBondContact O-N 3.22Å; Y452-I456 HydrophobicContact CD1-CD1 3.92Å; Y452-I456 HydrophobicContact CD1-CG1 4.42Å; Y452-I456 HydrophobicContact CE1-CD1 3.72Å; Y452-I456 HydrophobicContact CE1-CG1 4.19Å; Y452-I456 PolarHBondContact O-N 3.18Å
453I82.3Confident77.7Confident6 Ų657.1 Ų57.13%0.03127%0.27CS..Hα-helixtrans-57.8-38.4169.4-61.9163.5000109.6I414 L427 V446 C449 K450 K455 I456 T457 L484I414-I453 HydrophobicContact CD1-CG2 4.32Å; L427-I453 HydrophobicContact CD1-CD1 4.46Å; L427-I453 HydrophobicContact CD1-CG1 4.02Å; L427-I453 HydrophobicContact CD2-CG1 3.8Å; V446-I453 HydrophobicContact CG1-CD1 3.88Å; C449-I453 HydrophobicContact CB-CD1 4.11Å; C449-I453 HydrophobicContact CB-CG1 4.43Å; C449-I453 PolarHBondContact O-N 3.01Å; K450-I453 PolarHBondContact O-N 3.49Å; I453-K455 VanDerWaalsContact C-N 3.25Å; I453-K455 PolarHBondContact O-N 2.93Å; I453-I456 PolarHBondContact O-N 3.18Å; I453-T457 HydrophobicContact CG2-CG2 4.27Å; I453-T457 WeakPolarHBondContact O-CB 3.44Å; I453-T457 VanDerWaalsContact O-CG2 3.28Å; I453-T457 WeakPolarHBondContact O-CG2 3.22Å; I453-T457 PolarHBondContact O-N 3.14Å; I453-T457 PolarHBondContact O-OG1 3.21Å; I453-L484 HydrophobicContact CG2-CD1 4.17Å; I453-L484 HydrophobicContact CG2-CD2 4.33Å
454S79.8Confident76.5Confident21 Ų2154.7 Ų54.715%0.14726%0.255CS..Hα-helixtrans-73.2-8.2173.4-54.50000114.5K450 Y452 T457 R458K450-S454 VanDerWaalsContact O-CB 3.22Å; K450-S454 WeakPolarHBondContact O-CB 3.43Å; K450-S454 PolarHBondContact O-N 3.34Å; K450-S454 PolarHBondContact O-OG 3.23Å; Y452-S454 PolarHBondContact O-N 3.4Å; S454-T457 WeakPolarHBondContact CA-OG1 3.39Å; S454-R458 VanDerWaalsContact O-CD 3.31Å; S454-R458 WeakPolarHBondContact O-CD 3.47Å; S454-R458 VanDerWaalsContact O-CG 3.22Å; S454-R458 WeakPolarHBondContact O-CG 3.45Å; S454-R458 PolarHBondContact O-NH1 3.21Å
455K82.5Confident75.1Confident87 Ų8757.6 Ų57.638%0.37828%0.283SS..Hα-helixtrans-87.9-51.8170.2-173.2-168.1-177.9-172.60108.9E359 S451 Y452 I453 R458 N459E359-K455 IonicContact OE1-NZ 3.71Å; E359-K455 PolarHBondContact OE1-NZ 2.98Å; E359-K455 IonicContact OE2-NZ 3.97Å; E359-K455 PolarHBondContact OE2-NZ 3.09Å; S451-K455 PolarHBondContact O-N 2.71Å; Y452-K455 HydrophobicContact CD2-CB 4.5Å; Y452-K455 HydrophobicContact CD2-CD 3.86Å; Y452-K455 HydrophobicContact CE2-CD 3.7Å; Y452-K455 WeakPolarHBondContact O-CA 3.44Å; Y452-K455 WeakPolarHBondContact O-CB 3.09Å; Y452-K455 PolarHBondContact O-N 3.22Å; I453-K455 VanDerWaalsContact C-N 3.25Å; I453-K455 PolarHBondContact O-N 2.93Å; K455-R458 PolarHBondContact O-N 2.89Å; K455-N459 PolarHBondContact O-N 3.37Å; K455-N459 VanDerWaalsContact O-N 3.12Å
456I81Confident73.6Confident6 Ų665.5 Ų65.53%0.03132%0.32CS..Hα-helixtrans-58.4-55.4177.9-59.1169.8000110.6I414 A423 E424 L427 Y452 I453 R458 N459 L460I414-I456 HydrophobicContact CD1-CB 4.14Å; I414-I456 HydrophobicContact CD1-CD1 3.97Å; I414-I456 HydrophobicContact CD1-CG2 3.91Å; A423-I456 HydrophobicContact CB-CD1 4.2Å; A423-I456 HydrophobicContact CB-CG1 3.96Å; E424-I456 HydrophobicContact CG-CG2 4.41Å; L427-I456 HydrophobicContact CB-CD1 4.15Å; L427-I456 HydrophobicContact CD2-CD1 3.98Å; Y452-I456 HydrophobicContact CD1-CD1 3.92Å; Y452-I456 HydrophobicContact CD1-CG1 4.42Å; Y452-I456 HydrophobicContact CE1-CD1 3.72Å; Y452-I456 HydrophobicContact CE1-CG1 4.19Å; Y452-I456 PolarHBondContact O-N 3.18Å; I453-I456 PolarHBondContact O-N 3.18Å; I456-R458 PolarHBondContact O-N 2.99Å; I456-N459 CarbonylContact O-C 3.59Å; I456-N459 WeakPolarHBondContact O-CA 3.42Å; I456-N459 WeakPolarHBondContact O-CB 3.48Å; I456-N459 PolarHBondContact O-N 3.29Å; I456-L460 HydrophobicContact CG2-CD1 3.96Å; I456-L460 HydrophobicContact CG2-CG 4.21Å; I456-L460 PolarHBondContact O-N 3.3Å
457T80.3Confident71.6Confident21 Ų2167.8 Ų67.813%0.12935%0.346CS..Hα-helixtrans-61.4-28.1-177.952.80000114I414 I453 S454 R461 L475I414-T457 HydrophobicContact CG2-CG2 3.87Å; I453-T457 HydrophobicContact CG2-CG2 4.27Å; I453-T457 WeakPolarHBondContact O-CB 3.44Å; I453-T457 VanDerWaalsContact O-CG2 3.28Å; I453-T457 WeakPolarHBondContact O-CG2 3.22Å; I453-T457 PolarHBondContact O-N 3.14Å; I453-T457 PolarHBondContact O-OG1 3.21Å; S454-T457 WeakPolarHBondContact CA-OG1 3.39Å; T457-R461 WeakPolarHBondContact O-CB 3.16Å; T457-R461 PolarHBondContact O-N 2.78Å; T457-R461 VanDerWaalsContact O-N 3.08Å; T457-L475 HydrophobicContact CG2-CD1 3.54Å
458R77.2Confident69.7Low153 Ų15372.5 Ų72.558%0.57737%0.369SS*.Hα-helixtrans-75-30.9171.5-76.1-176.2-174.6111.7-9.4112.9S454 K455 I456 K462S454-R458 VanDerWaalsContact O-CD 3.31Å; S454-R458 WeakPolarHBondContact O-CD 3.47Å; S454-R458 VanDerWaalsContact O-CG 3.22Å; S454-R458 WeakPolarHBondContact O-CG 3.45Å; S454-R458 PolarHBondContact O-NH1 3.21Å; K455-R458 PolarHBondContact O-N 2.89Å; I456-R458 PolarHBondContact O-N 2.99Å; R458-K462 WeakPolarHBondContact O-CG 3.21Å; R458-K462 PolarHBondContact O-N 2.88Å
459N73.7Confident67.8Low72 Ų7281.2 Ų81.239%0.38541%0.41SS..Hα-helixtrans-73.6-44.8173.4-68.9-11.2000110.7K455 I456 R461 K462 Y463K455-N459 PolarHBondContact O-N 3.37Å; K455-N459 VanDerWaalsContact O-N 3.12Å; I456-N459 CarbonylContact O-C 3.59Å; I456-N459 WeakPolarHBondContact O-CA 3.42Å; I456-N459 WeakPolarHBondContact O-CB 3.48Å; I456-N459 PolarHBondContact O-N 3.29Å; N459-R461 VanDerWaalsContact C-N 3.32Å; N459-R461 PolarHBondContact O-N 2.98Å; N459-K462 WeakPolarHBondContact O-CB 3.43Å; N459-K462 PolarHBondContact O-N 2.87Å; N459-Y463 VanDerWaalsContact O-CD2 3.3Å; N459-Y463 WeakPolarHBondContact O-CD2 3.34Å; N459-Y463 PolarHBondContact O-N 3.12Å
460L69.7Low65.9Low54 Ų5487 Ų8728%0.28344%0.435SS..Hα-helixtrans-55.8-44.7172.9-66.8175.8000111.6I414 I456 K462 Y463 E464I414-L460 HydrophobicContact CB-CD1 4.37Å; I414-L460 HydrophobicContact CG2-CD1 3.72Å; I456-L460 HydrophobicContact CG2-CD1 3.96Å; I456-L460 HydrophobicContact CG2-CG 4.21Å; I456-L460 PolarHBondContact O-N 3.3Å; L460-K462 VanDerWaalsContact C-N 3.27Å; L460-K462 PolarHBondContact O-N 3.36Å; L460-Y463 PolarHBondContact O-N 2.96Å; L460-Y463 VanDerWaalsContact O-N 3.14Å; L460-E464 PolarHBondContact O-N 3.17Å
461R68.6Low64.3Low146 Ų14691.5 Ų91.555%0.55146%0.461SS*.Hα-helixtrans-64.3-25.6175-169.6178.5-65.11761.9114.1T457 N459 A465T457-R461 WeakPolarHBondContact O-CB 3.16Å; T457-R461 PolarHBondContact O-N 2.78Å; T457-R461 VanDerWaalsContact O-N 3.08Å; N459-R461 VanDerWaalsContact C-N 3.32Å; N459-R461 PolarHBondContact O-N 2.98Å; R461-A465 PolarHBondContact O-N 3.35Å
462K63.8Low62.9Low143 Ų14391.3 Ų91.362%0.62245%0.452SS*.Hα-helixtrans-70-41172.8-74.5172.4177.5-177.30111.1R458 N459 L460 A465R458-K462 WeakPolarHBondContact O-CG 3.21Å; R458-K462 PolarHBondContact O-N 2.88Å; N459-K462 WeakPolarHBondContact O-CB 3.43Å; N459-K462 PolarHBondContact O-N 2.87Å; L460-K462 VanDerWaalsContact C-N 3.27Å; L460-K462 PolarHBondContact O-N 3.36Å; K462-A465 WeakPolarHBondContact O-CB 3.46Å; K462-A465 PolarHBondContact O-N 2.9Å
463Y57.4Low61.3Low166 Ų16693.7 Ų93.765%0.65147%0.471SS*.Hα-helixtrans-69.8-34.3173.4-61-58.6000112.6N459 L460 A465 E466N459-Y463 VanDerWaalsContact O-CD2 3.3Å; N459-Y463 WeakPolarHBondContact O-CD2 3.34Å; N459-Y463 PolarHBondContact O-N 3.12Å; L460-Y463 PolarHBondContact O-N 2.96Å; L460-Y463 VanDerWaalsContact O-N 3.14Å; Y463-A465 VanDerWaalsContact C-N 3.26Å; Y463-A465 PolarHBondContact O-N 3Å; Y463-E466 PolarHBondContact O-N 3.47Å
464E53.8Low59.8Low56 Ų5695.1 Ų95.126%0.26248%0.477SS..Hα-helixtrans-58.8-37.8172.4-176.7174.5-140.400111.8L460 E466 G467 L472L460-E464 PolarHBondContact O-N 3.17Å; E464-E466 PolarHBondContact O-N 2.85Å; E464-G467 PolarHBondContact O-N 3.35Å; E464-L472 WeakPolarHBondContact OE1-CD1 3.3Å
465A52.1Low58.3Low88 Ų8895.8 Ų95.873%0.72748%0.479SS*.THydrogen-bonded Turntrans-66.7-11.2174.700000114.1R461 K462 Y463R461-A465 PolarHBondContact O-N 3.35Å; K462-A465 WeakPolarHBondContact O-CB 3.46Å; K462-A465 PolarHBondContact O-N 2.9Å; Y463-A465 VanDerWaalsContact C-N 3.26Å; Y463-A465 PolarHBondContact O-N 3Å
466E51.6Low56.8Low166 Ų16698.6 Ų98.678%0.77649%0.493SS*.THydrogen-bonded Turntrans-99.81.1176.7-63.1-176.2159.100113.2Y463 E464Y463-E466 PolarHBondContact O-N 3.47Å; E464-E466 PolarHBondContact O-N 2.85Å
467G39.2Very low55.3Low62 Ų62104 Ų10464%0.63952%0.515SS*.THydrogen-bonded Turntrans134-1.615500000118.8E464E464-G467 PolarHBondContact O-N 3.35Å
468N42.5Very low53.6Low125 Ų125104.7 Ų104.767%0.66852%0.517SS*.  trans-102.7116.9-178.9-75.6-22.1000112.3
469Q40.4Very low51.8Low188 Ų18899.3 Ų99.388%0.87950%0.503SS*.  trans-85.1121.6-178.5-177.5177.26.600111.8
470F44.3Very low50.4Low124 Ų12499.8 Ų99.854%0.54452%0.516SS..  trans-110.1157.9173.3-86.9-97.2000112.3L472F470-L472 PolarHBondContact O-N 3.22Å
471D45.8Very low49.4Very low135 Ų135100.4 Ų100.472%0.72252%0.522SS*.  trans-77.391.5178.6-168-31.7000111S473D471-S473 PolarHBondContact O-N 3.45Å; D471-S473 WeakPolarHBondContact OD1-CB 3.4Å; D471-S473 PolarHBondContact OD1-N 2.83Å; D471-S473 PolarHBondContact OD1-OG 3.01Å
472L51.1Low48Very low85 Ų8595.7 Ų95.745%0.44552%0.519SS..THydrogen-bonded Turntrans-60.7-2-178.2-89.9150.7000115.8E464 F470 H474 L475 E476E464-L472 WeakPolarHBondContact OE1-CD1 3.3Å; F470-L472 PolarHBondContact O-N 3.22Å; L472-H474 VanDerWaalsContact C-N 3.26Å; L472-H474 PolarHBondContact O-N 3.28Å; L472-H474 VanDerWaalsContact O-N 3.15Å; L472-L475 HydrophobicContact CD2-CB 3.94Å; L472-L475 HydrophobicContact CD2-CD2 3.59Å; L472-L475 HydrophobicContact CD2-CG 4.38Å; L472-L475 WeakPolarHBondContact O-CB 3.36Å; L472-L475 PolarHBondContact O-N 3.06Å; L472-E476 PolarHBondContact O-N 3.37Å
473S50.4Low47.1Very low63 Ų6391.2 Ų91.244%0.44150%0.502SS..Hα-helixtrans-58.5-27.9-173.854.90000115.1D471 Y477D471-S473 PolarHBondContact O-N 3.45Å; D471-S473 WeakPolarHBondContact OD1-CB 3.4Å; D471-S473 PolarHBondContact OD1-N 2.83Å; D471-S473 PolarHBondContact OD1-OG 3.01Å; S473-Y477 PolarHBondContact O-N 2.89Å
474H50.2Low46.3Very low36 Ų3684.6 Ų84.617%0.16748%0.478CS..Hα-helixtrans-80-27.6173.9-163.1-134.3000113.6R416 L472 E476 Y477 L478R416-H474 PolarHBondContact NH2-CD2 3.4Å; R416-H474 PolarHBondContact NH2-NE2 3.48Å; L472-H474 VanDerWaalsContact C-N 3.26Å; L472-H474 PolarHBondContact O-N 3.28Å; L472-H474 VanDerWaalsContact O-N 3.15Å; H474-E476 VanDerWaalsContact C-N 3.3Å; H474-Y477 AromaticContact CD2-CD1 3.93Å; H474-Y477 AromaticContact NE2-CD1 3.92Å; H474-Y477 WeakPolarHBondContact O-CB 3.31Å; H474-Y477 PolarHBondContact O-N 3.07Å; H474-L478 PolarHBondContact O-N 2.9Å; H474-L478 VanDerWaalsContact O-N 3.07Å
475L48.9Very low45.4Very low35 Ų3585.9 Ų85.918%0.18349%0.486CS..Hα-helixtrans-66.6-38.6173.5-15281.1000110.2T457 L472 Y477 L478 C479T457-L475 HydrophobicContact CG2-CD1 3.54Å; L472-L475 HydrophobicContact CD2-CB 3.94Å; L472-L475 HydrophobicContact CD2-CD2 3.59Å; L472-L475 HydrophobicContact CD2-CG 4.38Å; L472-L475 WeakPolarHBondContact O-CB 3.36Å; L472-L475 PolarHBondContact O-N 3.06Å; L475-Y477 VanDerWaalsContact C-N 3.32Å; L475-Y477 PolarHBondContact O-N 3.2Å; L475-L478 PolarHBondContact O-N 3.35Å; L475-C479 WeakPolarHBondContact O-CB 3.33Å; L475-C479 PolarHBondContact O-N 3.14Å; L475-C479 VanDerWaalsContact O-N 3.09Å; L475-C479 PolarHBondContact O-SG 2.96Å; L475-C479 VanDerWaalsContact O-SG 3.4Å
476E50.2Low44.5Very low146 Ų14687.9 Ų87.968%0.68249%0.485SS*.Hα-helixtrans-63.9-35.9171.9-167.8164.9-142.500111.8L472 H474 C479 A480L472-E476 PolarHBondContact O-N 3.37Å; H474-E476 VanDerWaalsContact C-N 3.3Å; E476-C479 PolarHBondContact O-N 3.41Å; E476-A480 WeakPolarHBondContact O-CB 3.31Å; E476-A480 PolarHBondContact O-N 3.11Å
477Y49.9Very low43.5Very low121 Ų12187.2 Ų87.248%0.47549%0.486SS..Hα-helixtrans-64.2-45.8174.7-169.6-105.4000113.4S473 H474 L475 C479 A480 T481S473-Y477 PolarHBondContact O-N 2.89Å; H474-Y477 AromaticContact CD2-CD1 3.93Å; H474-Y477 AromaticContact NE2-CD1 3.92Å; H474-Y477 WeakPolarHBondContact O-CB 3.31Å; H474-Y477 PolarHBondContact O-N 3.07Å; L475-Y477 VanDerWaalsContact C-N 3.32Å; L475-Y477 PolarHBondContact O-N 3.2Å; Y477-C479 VanDerWaalsContact C-N 3.29Å; Y477-C479 PolarHBondContact O-N 3.27Å; Y477-A480 PolarHBondContact O-N 3.43Å; Y477-T481 HydrophobicContact CE1-CG2 4.3Å; Y477-T481 WeakPolarHBondContact O-CB 3.42Å; Y477-T481 WeakPolarHBondContact O-CG2 3.38Å; Y477-T481 PolarHBondContact O-N 2.8Å; Y477-T481 PolarHBondContact O-OG1 2.94Å
478L45.7Very low43.2Very low35 Ų3587.9 Ų87.918%0.18348%0.482CS..Hα-helixtrans-71.1-22.6178.2-66.8173.6000113.5H474 L475 T481 L484H474-L478 PolarHBondContact O-N 2.9Å; H474-L478 VanDerWaalsContact O-N 3.07Å; L475-L478 PolarHBondContact O-N 3.35Å; L478-T481 WeakPolarHBondContact CA-OG1 3.29Å; L478-T481 PolarHBondContact O-OG1 2.93Å; L478-L484 HydrophobicContact CB-CD1 3.67Å; L478-L484 HydrophobicContact CB-CG 4.26Å; L478-L484 HydrophobicContact CD1-CD1 4.47Å; L478-L484 PolarHBondContact O-N 3.01Å
479C39.7Very low42.8Very low40 Ų4091.7 Ų91.727%0.2749%0.492SS..Hα-helixtrans-83.6-41169.8-70.60000112.5L475 E476 Y477 G482 N485L475-C479 WeakPolarHBondContact O-CB 3.33Å; L475-C479 PolarHBondContact O-N 3.14Å; L475-C479 VanDerWaalsContact O-N 3.09Å; L475-C479 PolarHBondContact O-SG 2.96Å; L475-C479 VanDerWaalsContact O-SG 3.4Å; E476-C479 PolarHBondContact O-N 3.41Å; Y477-C479 VanDerWaalsContact C-N 3.29Å; Y477-C479 PolarHBondContact O-N 3.27Å; C479-G482 PolarHBondContact O-N 3.25Å; C479-N485 PolarHBondContact O-ND2 3.48Å
480A42.7Very low42.3Very low82 Ų8292 Ų9268%0.67849%0.487SS*.Hα-helixtrans-72.7-27.7-177.700000113.5E476 Y477 G482E476-A480 WeakPolarHBondContact O-CB 3.31Å; E476-A480 PolarHBondContact O-N 3.11Å; Y477-A480 PolarHBondContact O-N 3.43Å; A480-G482 PolarHBondContact O-N 2.86Å; A480-G482 VanDerWaalsContact O-N 3.13Å
481T48.8Very low41.7Very low66 Ų6693.8 Ų93.841%0.40550%0.502SS..THydrogen-bonded Turntrans-65.3-3.8166.446.50000113.3Y477 L478 L483Y477-T481 HydrophobicContact CE1-CG2 4.3Å; Y477-T481 WeakPolarHBondContact O-CB 3.42Å; Y477-T481 WeakPolarHBondContact O-CG2 3.38Å; Y477-T481 PolarHBondContact O-N 2.8Å; Y477-T481 PolarHBondContact O-OG1 2.94Å; L478-T481 WeakPolarHBondContact CA-OG1 3.29Å; L478-T481 PolarHBondContact O-OG1 2.93Å; T481-L483 PolarHBondContact O-N 2.97Å
482G39.7Very low41Very low47 Ų4792.2 Ų92.249%0.48550%0.502SS..THydrogen-bonded Turntrans73.45-178.900000113.7C479 A480C479-G482 PolarHBondContact O-N 3.25Å; A480-G482 PolarHBondContact O-N 2.86Å; A480-G482 VanDerWaalsContact O-N 3.13Å
483L44.8Very low40.1Very low50 Ų5094.8 Ų94.826%0.26251%0.514SS..SBendtrans-76.6-39.9-174.6-70.7173.2000112.4K450 T481K450-L483 WeakPolarHBondContact CD-O 3.29Å; K450-L483 WeakPolarHBondContact CE-O 3.42Å; K450-L483 PolarHBondContact NZ-O 2.81Å; T481-L483 PolarHBondContact O-N 2.97Å
484L40.2Very low39.1Very low27 Ų2798.5 Ų98.514%0.14153%0.529CS..SBendtrans-96.6-7.4-177.3-64.3-179.7000115.9K450 I453 L478 N486K450-L484 HydrophobicContact CB-CD2 4.09Å; K450-L484 HydrophobicContact CG-CD2 4.08Å; I453-L484 HydrophobicContact CG2-CD1 4.17Å; I453-L484 HydrophobicContact CG2-CD2 4.33Å; L478-L484 HydrophobicContact CB-CD1 3.67Å; L478-L484 HydrophobicContact CB-CG 4.26Å; L478-L484 HydrophobicContact CD1-CD1 4.47Å; L478-L484 PolarHBondContact O-N 3.01Å; L484-N486 PolarHBondContact O-N 2.86Å
485N36.2Very low38.3Very low83 Ų83103.8 Ų103.844%0.44456%0.558SS.*  trans-8284.4-172.8-73.7-15000113.9C479C479-N485 PolarHBondContact O-ND2 3.48Å
486N32Very low37.3Very low130 Ų130108.1 Ų108.170%0.69559%0.589SS**SBendtrans-80.2-19.2165.6-76.8-29.1000113.4L484L484-N486 PolarHBondContact O-N 2.86Å
487D31Very low36.4Very low151 Ų151108.4 Ų108.481%0.80759%0.594SS**  trans-118.173.2-171.1-70.1-61.4000113.3
488S33.7Very low35.7Very low77 Ų77111 Ų11154%0.53862%0.615SS.*  trans-134.958.9175.357.10000113.3Y490S488-Y490 CarbonylContact C-O 3.39Å; S488-Y490 PolarHBondContact O-N 3.46Å
489K33.3Very low35Very low204 Ų204119 Ų11989%0.88765%0.648SS**SBendtrans-70.7-7.2169.1-147.6173.1-171.6174.90113.4
490Y29.6Very low34.6Very low196 Ų196125.7 Ų125.777%0.76968%0.676SS**SBendtrans-133.1171169.4-75.1-92.2000108.5S488S488-Y490 CarbonylContact C-O 3.39Å; S488-Y490 PolarHBondContact O-N 3.46Å
491N31.4Very low33.9Very low160 Ų160130.1 Ų130.186%0.85668%0.682SS**  trans74.350.7-174.7-54.7-8.6000115.3
492S31.1Very low33Very low103 Ų103131 Ų13172%0.7269%0.691SS**  trans-11642.6162-161.90000111.2
493I31.5Very low32.4Very low139 Ų139132.8 Ų132.871%0.71370%0.701SS**SBendtrans-141.9143172.3-70.498.4000106.4
494N31.1Very low31.8Very low140 Ų140137.4 Ų137.475%0.74973%0.725SS**SBendtrans72.582.1179.5-54.1-25.9000118
495N32.7Very low31.4Very low147 Ų147141.7 Ų141.779%0.78675%0.748SS**  -178.5106.7115.4-99.6-30.3000113.2L497N495-L497 PolarHBondContact O-N 3.04Å
496P28.9Very low31.4Very low126 Ų126144.6 Ų144.682%0.81876%0.762SS**THydrogen-bonded Turntrans-93.355.6-17738.3-36.1000113.4
497L31.2Very low31.4Very low152 Ų152146.6 Ų146.680%0.79677%0.765SS**THydrogen-bonded Turntrans-125.7-7.8-178.9-75177000116.5N495 K499N495-L497 PolarHBondContact O-N 3.04Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.37Å; L497-K499 VanDerWaalsContact O-N 3.1Å
498L34Very low31.5Very low176 Ų176146 Ų14692%0.92176%0.761SS**  trans-89.764.6176.8-77.8168.2000112.7
499K32Very low31.4Very low202 Ų202151.2 Ų151.288%0.87877%0.774SS**SBendtrans-143.142.7173.3-99.8-161179.5-173.60113.5L497L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.37Å; L497-K499 VanDerWaalsContact O-N 3.1Å
500Q31.2Very low31.3Very low182 Ų182152.8 Ų152.885%0.8578%0.775SS**SBendtrans-155.4-3.1165.9-125.6164.414.400119.8
501H28.2Very low31.3Very low174 Ų174150.6 Ų150.681%0.80678%0.776SS**  trans-109.4122.6173.4-71.9-72.7000112
502S29Very low31.4Very low85 Ų85148.5 Ų148.559%0.59477%0.772SS**  trans-64.6156.2168.435.20000111.3
503A27.6Very low31.4Very low84 Ų84150.7 Ų150.769%0.69477%0.773SS**SBendtrans-60.8166.3161.100000110.9
504I32.4Very low31.3Very low147 Ų147150 Ų15075%0.75478%0.776SS**SBendtrans90.5-28.5169.7-62.2163.5000117.5
505D32.2Very low31.4Very low118 Ų118150.9 Ų150.963%0.63178%0.779SS**SBendtrans-90.6-9.2-165.3-71.3-46.8000119
506I34.7Very low31.3Very low143 Ų143150.5 Ų150.573%0.73378%0.777SS**SBendtrans-98.6-25.9-170.1-63.7179.8000114.5N508I506-N508 VanDerWaalsContact C-N 3.33Å; I506-N508 PolarHBondContact O-N 2.98Å
507F33.3Very low31.3Very low173 Ų173152.5 Ų152.576%0.75978%0.781SS**THydrogen-bonded Turntrans-75.4-15.9-176.8-92.6-90.4000114.8K509F507-K509 VanDerWaalsContact C-N 3.33Å; F507-K509 PolarHBondContact O-N 2.84Å
508N33.1Very low31.4Very low137 Ų137149.5 Ų149.573%0.73377%0.773SS**THydrogen-bonded Turntrans-8715.7-173.7-71.2-39.7000115.2I506I506-N508 VanDerWaalsContact C-N 3.33Å; I506-N508 PolarHBondContact O-N 2.98Å
509K31.6Very low31.3Very low187 Ų187146 Ų14681%0.81376%0.763SS**SBendtrans-140.859-177-72.7-168.9177.4176.20115.3F507F507-K509 VanDerWaalsContact C-N 3.33Å; F507-K509 PolarHBondContact O-N 2.84Å
510R31.4Very low31.4Very low237 Ų237147.1 Ų147.189%0.89476%0.763SS**  trans-160.3111150-110.7162-175.9169.6-0.2109.5
511N29.6Very low31.1Very low151 Ų151143.3 Ų143.381%0.80776%0.757SS**  trans-66.9133.1177.4-62.2-9.6000109.6
512P32.6Very low31.2Very low116 Ų116142 Ų14275%0.75376%0.755SS**  trans-66.3131.4154.330-30.9000107.9V514P512-V514 PolarHBondContact O-N 3.32Å
513I30.3Very low31.4Very low148 Ų148145 Ų14576%0.75976%0.764SS**  trans-78.3112.7172.9-63.6174.1000106.8L515I513-L515 HydrophobicContact CG2-CG 4.5Å; I513-L515 PolarHBondContact O-N 2.89Å
514V30.3Very low31.4Very low126 Ų126149.4 Ų149.476%0.76477%0.773SS**  trans-71.5111.6168.2-179.70000107.4P512P512-V514 PolarHBondContact O-N 3.32Å
515L32.5Very low31.3Very low157 Ų157150.4 Ų150.482%0.82278%0.779SS**  trans-92.3130.6160.4-83159.5000107.1I513I513-L515 HydrophobicContact CG2-CG 4.5Å; I513-L515 PolarHBondContact O-N 2.89Å
516D32.2Very low31.4Very low139 Ų139149.9 Ų149.974%0.74379%0.785SS**  trans-104.8107.4-167-164.821.7000109.3S518D516-S518 PolarHBondContact O-N 3.13Å
517D28.3Very low31.3Very low169 Ų169146.9 Ų146.990%0.90478%0.782SS**  trans-75.891.2-174.4-91.4-32.9000111.5
518S32.5Very low31.1Very low89 Ų89148.6 Ų148.662%0.62279%0.789SS**  trans-150.4131.7163.264.80000113.8D516D516-S518 PolarHBondContact O-N 3.13Å
519S32.3Very low31.1Very low101 Ų101145.2 Ų145.271%0.70679%0.787SS**  trans64.7142.2-178.175.80000115.2
520Y33.3Very low31Very low227 Ų227143.2 Ų143.289%0.8978%0.784SS**  cis-12616617.5-89-100.7000113.7
521S26.5Very low30.9Very low101 Ų101140.1 Ų140.171%0.70678%0.777SS**  trans-103.2175.4177.1-172.80000111.8
522L30.4Very low30.9Very low147 Ų147140.1 Ų140.177%0.7777%0.772SS**  trans75.4126.1173.1-48.3-179.2000114.3
523N32.1Very low30.8Very low148 Ų148140.1 Ų140.179%0.79177%0.77SS**  cis-143.7154.512.6-81.5-43.9000112.4
524M27.7Very low30.8Very low177 Ų177139.8 Ų139.887%0.87277%0.77SS**  trans-87148.3153.6-74-75.6-173.600109.3
525D31.5Very low30.7Very low167 Ų167138.7 Ų138.789%0.89377%0.768SS**  trans-168.9160.8137.3-116.4-31.3000114.2
526S32.5Very low30.6Very low107 Ų107140.8 Ų140.875%0.74877%0.77SS**  trans78.496.4163.8-172.60000121.3
527A33.5Very low30.3Very low81 Ų81138.7 Ų138.767%0.66977%0.767SS**  trans69.2117134.300000120.3
528F29.4Very low30.4Very low209 Ų209137.4 Ų137.492%0.91776%0.759SS**  95.4127.856.2-93.3-66.9000113.5
529G31.8Very low30Very low66 Ų66142.5 Ų142.568%0.6877%0.766SS**  trans114.692.8170.800000113.4
530I30.2Very low29.8Very low145 Ų145146.1 Ų146.174%0.74477%0.765SS**  91.8101.558.2-67.4174.1000113.6
531F30.2Very low29.6Very low171 Ų171141.5 Ų141.575%0.7576%0.756SS**  trans75.8118.7143.5-78.7-121.4000123
532E29.4Very low29.7Very low151 Ų151140.7 Ų140.771%0.70675%0.75SS**  79.5109.9125.7-72.3-169.4150.900125.1
533T30.2Very low29.7Very low117 Ų117142.7 Ų142.772%0.71875%0.753SS**  91.4149.4128.967.40000122.9
534N29.8Very low29.9Very low141 Ų141142.6 Ų142.675%0.75475%0.748SS**  trans71.381.9157.5-71.9-42.5000120.6
535S27.9Very low30.1Very low102 Ų102140.2 Ų140.271%0.71374%0.738SS**  41.393105-50.90000118.9
536K30.3Very low30.2Very low202 Ų202140.7 Ų140.788%0.87874%0.74SS**  -179.5161.2112.2-97.9161.6-175.1175.40113.4
537S26.3Very low30.3Very low95 Ų95139.4 Ų139.466%0.66473%0.731SS**  trans-38.1143.916853.60000115.6
538L29.6Very low30.2Very low141 Ų141144.2 Ų144.274%0.73874%0.739SS**  176.3133.998.4-86.7176.3000112.4
539Y26.1Very low30.3Very low196 Ų196137.3 Ų137.377%0.76973%0.728SS**  trans63.9150.1140-90.3-52.4000125.5
540Y27.2Very low30.6Very low178 Ų178140 Ų14070%0.69873%0.733SS**  trans76.9101142.2-92.6-79.2000122.9
541N28Very low30.7Very low130 Ų130139 Ų13970%0.69573%0.733SS**  91.4132.1125.5-97.223000125.3
542S29.6Very low31Very low83 Ų83137.8 Ų137.858%0.5874%0.739SS**  56.3115.6129-57.40000122.3
543F31.2Very low31.1Very low189 Ų189135.4 Ų135.483%0.82974%0.74SS**  -133.4134.1102.6-89.4-94.2000105.9
544E35Very low31.3Very low147 Ų147135.6 Ų135.669%0.68774%0.744SS**  57.7138.275-73-163.8-157.700113.7
545N32.7Very low31.6Very low126 Ų126136.3 Ų136.367%0.67475%0.748SS**  cis-160.8145.40.4-131.2-43.2000109.7
546L33.6Very low31.7Very low177 Ų177136.6 Ų136.693%0.92775%0.75SS**  trans171.2149142-95.5163.3000112
547S33.3Very low31.8Very low81 Ų81133.1 Ų133.157%0.56675%0.75SS**  trans-115.2147-165.7168.60000112.7
548H33.1Very low32.2Very low181 Ų181133.3 Ų133.384%0.83875%0.751SS**  156.2125.4120.9-82.5-68.1000113.5
549G29.9Very low32.4Very low65 Ų65136.2 Ų136.267%0.6776%0.758SS**  trans-118.8-156.3153.800000109.6
550P39.1Very low32.8Very low121 Ų121131.9 Ų131.979%0.78676%0.756SS**  cis-139.6175.72.742.8-25.5000116.1
551V31.6Very low33.2Very low124 Ų124128.4 Ų128.475%0.75276%0.758SS**  trans36126.3143.3177.50000121
552V37.2Very low33.6Very low146 Ų146127.7 Ų127.789%0.88576%0.763SS**  trans-136.8153.4141.7-156.30000108.8
553S30.5Very low34Very low102 Ų102128.2 Ų128.271%0.71377%0.767SS**  trans-141.2137.8-178-55.20000112.8
554C34.2Very low34.4Very low120 Ų120126.2 Ų126.281%0.81177%0.77SS**  trans178.9161159.556.80000109.4
555D36.1Very low34.4Very low156 Ų156122.4 Ų122.483%0.83477%0.77SS**  cis-157.4169.9-48.9-131.2-48.6000108.8
556S31.8Very low34.7Very low108 Ų108124.4 Ų124.476%0.75578%0.779SS**  trans-82.8144.7-172.1-63.80000115
557C32.4Very low35Very low130 Ų130122.8 Ų122.888%0.87878%0.776SS**  trans-150154.9157-111.30000111.3
558S33.1Very low35.2Very low99 Ų99122.3 Ų122.369%0.69278%0.784SS**  trans-150.8160-171.1-52.70000113.2
559K34.7Very low35.5Very low202 Ų202118.9 Ų118.988%0.87878%0.781SS**  trans75.3154.8173.5-49.7162.4-177.81700112.9
560S34.9Very low35.8Very low104 Ų104121.3 Ų121.373%0.72779%0.787SS**  cis-162.4147.63.512.30000113.4
561S35.9Very low35.8Very low106 Ų106120.2 Ų120.274%0.74178%0.782SS**  trans61.9140.7137.1-53.20000124.1
562S36.1Very low36Very low114 Ų114119.6 Ų119.680%0.79778%0.783SS**  trans72.1156.1147.968.30000120.7
563S38.1Very low36.1Very low95 Ų95117.6 Ų117.666%0.66478%0.776SS**  cis-172.2161.2-31.3580000112.1
564T38.4Very low36.5Very low147 Ų147117.4 Ų117.490%0.90277%0.774SS**  trans68.8154.3171.975.70000116.7
565G35.6Very low36.7Very low66 Ų66116.9 Ų116.968%0.6877%0.772SS**  cis170.6-175-5.700000112.9
566I39.5Very low36.8Very low169 Ų169114.1 Ų114.187%0.86777%0.765SS**  trans77.5154.6162.3-67.3171000118.1
567V38.5Very low37Very low143 Ų143114.1 Ų114.187%0.86777%0.765SS**  -153.1164.9-85.9-94.10000112.8
568G38.4Very low37.3Very low70 Ų70112.7 Ų112.772%0.72276%0.757SS**  trans126.7150.715700000115.5
569S38.6Very low37.5Very low110 Ų110113 Ų11377%0.76976%0.759SS**  cis163.5111-16.6-93.70000106.6
570S37.6Very low37.7Very low115 Ų115109 Ų10980%0.80476%0.757SS**  72.8152.7113.573.40000117.2
571S38.4Very low37.7Very low98 Ų98111.5 Ų111.569%0.68576%0.762SS**  cis-171.8152.513.244.70000113.3
572S36.6Very low37.8Very low111 Ų111111.8 Ų111.878%0.77676%0.764SS**  trans44.2168.114865.90000121.5
573S38.5Very low37.8Very low105 Ų105111.1 Ų111.173%0.73476%0.759SS**  cis-169.9175.613.3-3.30000107.9
574S38.9Very low37.6Very low97 Ų97112.1 Ų112.168%0.67877%0.766SS**  cis-177.9175.4-19.555.10000110.4
575S37.7Very low37.6Very low109 Ų109110.7 Ų110.776%0.76276%0.762SS**  trans65.7154.3155.936.20000121
576S38.2Very low37.5Very low99 Ų99118.7 Ų118.769%0.69277%0.772SS**  cis-177.8153.2-19.251.90000113.7
577S36.8Very low37.3Very low108 Ų108118.5 Ų118.576%0.75577%0.772SS**  trans61153.6149.250.30000121.6
578S38Very low37Very low99 Ų99116.7 Ų116.769%0.69277%0.765SS**  cis-175.3149.3-11.448.40000114
579S37.2Very low36.9Very low107 Ų107118.5 Ų118.575%0.74877%0.774SS**  trans54.4137.3148.3630000121.6
580S39.4Very low36.6Very low118 Ų118118.6 Ų118.683%0.82577%0.774SS**  -174.7170.973.843.80000114
581N35.1Very low37.1Very low156 Ų156117.7 Ų117.783%0.83477%0.765SS**  trans-105.8154.9-167.4-58.5-27.9000114.8
582S37.6Very low36.8Very low112 Ų112122.1 Ų122.178%0.78377%0.773SS**  trans154.6160.4130.6-78.60000114.4
583S36.8Very low36.6Very low100 Ų100121.5 Ų121.570%0.69977%0.769SS**  cis-171.4137.5-27.2-89.40000111.2
584S34.8Very low36.5Very low115 Ų115121.7 Ų121.780%0.80477%0.77SS**  trans47.9111.7143.5-57.90000123.4
585S37.8Very low36.2Very low118 Ų118121.4 Ų121.483%0.82577%0.768SS**  173.3145.8123.737.40000109.3
586R32.8Very low36.3Very low234 Ų234124.4 Ų124.488%0.88377%0.77SS**  cis130.7153.83.5-97.8-166.8177.9-157.51.5107.7
587L36.5Very low36.1Very low165 Ų165126.7 Ų126.786%0.86477%0.773SS**  trans78.2155.7178.3-47.7-178.9000115.9
588S32.1Very low36.1Very low104 Ų104127 Ų12773%0.72778%0.775SS**  174.2125.6-61.149.30000111.2
589A35.8Very low35.7Very low109 Ų109125.3 Ų125.390%0.90177%0.773SS**  trans-171.3153.2156.500000112.8
590S33.1Very low35.5Very low112 Ų112125.4 Ų125.478%0.78377%0.774SS**  trans-165.2-174.4170.763.80000107.9
591P46.5Very low35.4Very low95 Ų95126.6 Ų126.662%0.61777%0.769SS**  cis-114.5-162.1-46.638.7-24.6000109.9
592F33.6Very low35.1Very low191 Ų191126 Ų12684%0.83877%0.766SS**  171.7174.6124.5-98.3-66.9000114.2
593S32.3Very low34.9Very low99 Ų99126 Ų12669%0.69277%0.766SS**  trans-48.8173.1-177.5-46.30000116.3
594S36.1Very low34.8Very low108 Ų108128.5 Ų128.576%0.75578%0.777SS**  cis-161.2174.427.4-33.50000107.8
595S32.9Very low34.5Very low91 Ų91129.9 Ų129.964%0.63677%0.77SS**  cis164.4165.5-8.748.50000105.7
596E37.9Very low34.3Very low172 Ų172132.5 Ų132.580%0.80477%0.774SS**  trans72.4148.5164.9-59.1-169.6-16600118.5
597I34.4Very low34.2Very low148 Ų148125.3 Ų125.376%0.75976%0.76SS**  cis-159.7168.4-26.3-116.8162.8000108.8
598S37.3Very low34.1Very low114 Ų114122.9 Ų122.980%0.79776%0.756SS**  trans83.5143.8171.1-158.50000117.2
599G28.8Very low34.3Very low63 Ų63125.9 Ų125.965%0.64976%0.759SS**  cis142.569.5-11.100000116.5
600S34.4Very low34.2Very low110 Ų110130.2 Ų130.277%0.76976%0.757SS**  trans-162.3129.9163.7-85.90000115.4
601I36.1Very low34.4Very low142 Ų142131.3 Ų131.373%0.72876%0.76SS**  55.4113.2128.8-54.4167.3000119.5
602D30.3Very low33.7Very low145 Ų145131.7 Ų131.778%0.77576%0.764SS**  trans21.4111.9136.9-48.3-44000120.5
603S32.2Very low33.9Very low110 Ų110128.2 Ų128.277%0.76976%0.759SS**  -174.2115.3127.8-85.60000111.5H605S603-H605 PolarHBondContact O-N 2.86Å
604V34.4Very low34.4Very low154 Ų154130.1 Ų130.193%0.93376%0.761SS**  trans-80.252.5165.5-73.60000111.4L606V604-L606 PolarHBondContact O-N 3.4Å
605H28.5Very low34.7Very low143 Ų143132.8 Ų132.866%0.66277%0.767SS**  trans-71.2110168.9-174-90.6000108.5S603 S607S603-H605 PolarHBondContact O-N 2.86Å; H605-S607 PolarHBondContact ND1-OG 3.11Å; H605-S607 PolarHBondContact O-N 3.12Å
606L33.7Very low35.8Very low173 Ų173132.8 Ų132.891%0.90677%0.765SS**  trans-7471.1175.9-89.1160.6000110.5V604 S608V604-L606 PolarHBondContact O-N 3.4Å; L606-S608 PolarHBondContact O-N 3.41Å
607S31.6Very low37Very low84 Ų84134.1 Ų134.159%0.58776%0.764SS**  trans-60.494.4168.3-64.90000109.6H605 E609H605-S607 PolarHBondContact ND1-OG 3.11Å; H605-S607 PolarHBondContact O-N 3.12Å; S607-E609 PolarHBondContact O-N 3.45Å
608S33.8Very low38.7Very low113 Ų113132.5 Ų132.579%0.7976%0.756SS**  trans-75.279.9172.6-169.10000109.5L606 K610L606-S608 PolarHBondContact O-N 3.41Å; S608-K610 PolarHBondContact O-N 3.39Å
609E35.6Very low40.4Very low167 Ų167130.1 Ų130.178%0.7873%0.734SS**  trans-61.3118.9167.6-74.4-166.811300109.3S607 T611S607-E609 PolarHBondContact O-N 3.45Å; E609-T611 VanDerWaalsContact C-N 3.29Å; E609-T611 PolarHBondContact O-N 3.46Å
610K33.8Very low42.7Very low201 Ų201130.1 Ų130.187%0.87472%0.723SS**  trans-69.483179.5-71.2-177.1175.1-177.30110.5S608S608-K610 PolarHBondContact O-N 3.39Å
611T38.7Very low44.6Very low135 Ų135126.3 Ų126.383%0.82869%0.693SS**  trans-86.5122.1160.344.20000109.1E609E609-T611 VanDerWaalsContact C-N 3.29Å; E609-T611 PolarHBondContact O-N 3.46Å
612S31Very low46.7Very low102 Ų102123.4 Ų123.471%0.71368%0.677SS**  trans-77.6162.2-168.9-58.80000113.5
613T38Very low49Very low119 Ų119120.7 Ų120.773%0.7366%0.662SS**  trans80.2145.9166.9800000117.7
614N42.5Very low51.2Low139 Ų139115.6 Ų115.674%0.74363%0.626SS**SBendtrans65.9104160.2-56.4-46.8000117.7P616N614-P616 WeakPolarHBondContact O-CD 3.36Å
615N43.1Very low53.3Low164 Ų164109.2 Ų109.288%0.87759%0.588SS**  trans-37103.1168-172.27.1000112.2Y617N615-Y617 PolarHBondContact O-N 2.83Å
616P55.2Low55.8Low91 Ų91106 Ų10659%0.59159%0.586SS**  trans-70.8126.6-169.226.5-33.5000110.2N614 I618N614-P616 WeakPolarHBondContact O-CD 3.36Å; P616-I618 VanDerWaalsContact C-N 3.29Å; P616-I618 PolarHBondContact O-N 3.16Å
617Y63Low58Low200 Ų200102.4 Ų102.478%0.78457%0.567SS**  trans-67.990.7171.6179.1-96.2000109.3N615 D619N615-Y617 PolarHBondContact O-N 2.83Å; Y617-D619 PolarHBondContact O-N 3.45Å
618I70.6Confident60.1Low114 Ų11499.1 Ų99.159%0.58554%0.543SS*.  trans-65.2105.7176.5-63.5162.1000107.7P616 P620 L623P616-I618 VanDerWaalsContact C-N 3.29Å; P616-I618 PolarHBondContact O-N 3.16Å; I618-P620 WeakPolarHBondContact O-CD 3.5Å; I618-L623 HydrophobicContact CG2-CB 3.96Å; I618-L623 HydrophobicContact CG2-CD2 4.45Å
619D74.3Confident62.2Low63 Ų6396.8 Ų96.834%0.33754%0.537SS..  trans-55.2121.8175.9168.319.5000109.6Y617 I621 Q622 L623Y617-D619 PolarHBondContact O-N 3.45Å; D619-I621 PolarHBondContact O-N 2.84Å; D619-I621 VanDerWaalsContact O-N 3.09Å; D619-I621 WeakPolarHBondContact OD1-CB 3.28Å; D619-I621 PolarHBondContact OD1-N 2.85Å; D619-Q622 HydrophobicContact CB-CB 3.92Å; D619-Q622 WeakPolarHBondContact O-CA 3.5Å; D619-Q622 WeakPolarHBondContact O-CB 3.38Å; D619-Q622 PolarHBondContact O-N 2.76Å; D619-Q622 PolarHBondContact OD2-N 3.34Å; D619-L623 PolarHBondContact O-N 3.07Å
620P76.5Confident64.2Low64 Ų6491.6 Ų91.642%0.41651%0.513SS..Hα-helixtrans-62-18.1179.325.3-35.3000113.3I618 L624I618-P620 WeakPolarHBondContact O-CD 3.5Å; P620-L624 VanDerWaalsContact O-CB 3.29Å; P620-L624 WeakPolarHBondContact O-CB 3.43Å; P620-L624 PolarHBondContact O-N 3.33Å; P620-L624 VanDerWaalsContact O-N 3.11Å
621I74.5Confident66.3Low29 Ų2992 Ų9215%0.14951%0.509CS..Hα-helixtrans-78-42.3172-54.5173.6000110.4D619 L624 S625 L635D619-I621 PolarHBondContact O-N 2.84Å; D619-I621 VanDerWaalsContact O-N 3.09Å; D619-I621 WeakPolarHBondContact OD1-CB 3.28Å; D619-I621 PolarHBondContact OD1-N 2.85Å; I621-L624 PolarHBondContact O-N 3.25Å; I621-S625 WeakPolarHBondContact O-CB 3.43Å; I621-S625 PolarHBondContact O-N 2.95Å; I621-L635 HydrophobicContact CG2-CB 3.84Å
622Q79.6Confident68Low81 Ų8191.2 Ų91.238%0.37949%0.494SS..Hα-helixtrans-59.2-46.8171.6178.962.42500111.7D619 S625 A626D619-Q622 HydrophobicContact CB-CB 3.92Å; D619-Q622 WeakPolarHBondContact O-CA 3.5Å; D619-Q622 WeakPolarHBondContact O-CB 3.38Å; D619-Q622 PolarHBondContact O-N 2.76Å; D619-Q622 PolarHBondContact OD2-N 3.34Å; Q622-S625 WeakPolarHBondContact O-CB 3.46Å; Q622-S625 PolarHBondContact O-N 3Å; Q622-S625 VanDerWaalsContact O-N 3.16Å; Q622-A626 PolarHBondContact O-N 2.94Å
623L79Confident70Confident88 Ų8890.3 Ų90.346%0.46148%0.484SS..Hα-helixtrans-63.8-42.3177.3-176.162.3000111.9I618 D619 S625 A626 I627I618-L623 HydrophobicContact CG2-CB 3.96Å; I618-L623 HydrophobicContact CG2-CD2 4.45Å; D619-L623 PolarHBondContact O-N 3.07Å; L623-S625 VanDerWaalsContact C-N 3.31Å; L623-S625 PolarHBondContact O-N 3.28Å; L623-A626 PolarHBondContact O-N 3.48Å; L623-I627 HydrophobicContact CD1-CD1 3.88Å; L623-I627 HydrophobicContact CD1-CG1 4.37Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 VanDerWaalsContact O-CG1 3.31Å; L623-I627 WeakPolarHBondContact O-CG1 3.31Å; L623-I627 PolarHBondContact O-N 3.18Å
624L76.9Confident71.7Confident4 Ų488.6 Ų88.62%0.02147%0.467CS..Hα-helixtrans-61.9-38.2171.9-96.1165.7000112.4P620 I621 I627 T628 L635 R643 L646 L647P620-L624 VanDerWaalsContact O-CB 3.29Å; P620-L624 WeakPolarHBondContact O-CB 3.43Å; P620-L624 PolarHBondContact O-N 3.33Å; P620-L624 VanDerWaalsContact O-N 3.11Å; I621-L624 PolarHBondContact O-N 3.25Å; L624-I627 PolarHBondContact O-N 3.23Å; L624-T628 HydrophobicContact CD2-CG2 3.72Å; L624-T628 VanDerWaalsContact O-CB 3.23Å; L624-T628 WeakPolarHBondContact O-CB 3.05Å; L624-T628 WeakPolarHBondContact O-CG2 3.49Å; L624-T628 PolarHBondContact O-N 3.31Å; L624-T628 PolarHBondContact O-OG1 3.31Å; L624-L635 HydrophobicContact CB-CD1 3.93Å; L624-L635 HydrophobicContact CB-CD2 4.34Å; L624-R643 HydrophobicContact CD1-CB 4.17Å; L624-R643 HydrophobicContact CD1-CG 3.87Å; L624-L646 HydrophobicContact CD2-CD2 4.25Å; L624-L646 HydrophobicContact CD2-CG 4.41Å; L624-L647 HydrophobicContact CD1-CD1 4.26Å; L624-L647 HydrophobicContact CD1-CD2 4.33Å; L624-L647 HydrophobicContact CD1-CG 4.1Å; L624-L647 HydrophobicContact CD2-CD2 3.63Å; L624-L647 HydrophobicContact CD2-CG 3.88Å; L624-L647 HydrophobicContact CG-CD2 3.82Å; L624-L647 HydrophobicContact CG-CG 4.12Å
625S80.1Confident73Confident19 Ų1982 Ų8213%0.13343%0.431CS..Hα-helixtrans-64.4-44.7179.4-168.90000111I621 Q622 L623 G629 H630 L635I621-S625 WeakPolarHBondContact O-CB 3.43Å; I621-S625 PolarHBondContact O-N 2.95Å; Q622-S625 WeakPolarHBondContact O-CB 3.46Å; Q622-S625 PolarHBondContact O-N 3Å; Q622-S625 VanDerWaalsContact O-N 3.16Å; L623-S625 VanDerWaalsContact C-N 3.31Å; L623-S625 PolarHBondContact O-N 3.28Å; S625-G629 WeakPolarHBondContact O-CA 3.46Å; S625-G629 PolarHBondContact O-N 3.39Å; S625-H630 WeakPolarHBondContact CA-O 3.34Å; S625-H630 WeakPolarHBondContact CB-O 3.43Å; S625-H630 PolarHBondContact OG-O 2.67Å; S625-L635 VanDerWaalsContact N-CD1 3.33Å
626A80.9Confident74.4Confident76 Ų7677.1 Ų77.163%0.62841%0.41SS*.Hα-helixtrans-61.4-49.4174.400000112.6Q622 L623Q622-A626 PolarHBondContact O-N 2.94Å; L623-A626 PolarHBondContact O-N 3.48Å
627I78.7Confident75.6Confident98 Ų9879.6 Ų79.650%0.50341%0.414SS..Hα-helixtrans-72.4-35.1-175.7-61.4167.3000112.4L623 L624 L650L623-I627 HydrophobicContact CD1-CD1 3.88Å; L623-I627 HydrophobicContact CD1-CG1 4.37Å; L623-I627 HydrophobicContact CG-CD1 3.86Å; L623-I627 VanDerWaalsContact O-CG1 3.31Å; L623-I627 WeakPolarHBondContact O-CG1 3.31Å; L623-I627 PolarHBondContact O-N 3.18Å; L624-I627 PolarHBondContact O-N 3.23Å; I627-L650 HydrophobicContact CG2-CD1 3.81Å
628T76Confident76.2Confident14 Ų1470.8 Ų70.89%0.08638%0.38CS..Hα-helixtrans-92.9-14.3-174.665.60000114.1L624 H630 L646 L650L624-T628 HydrophobicContact CD2-CG2 3.72Å; L624-T628 VanDerWaalsContact O-CB 3.23Å; L624-T628 WeakPolarHBondContact O-CB 3.05Å; L624-T628 WeakPolarHBondContact O-CG2 3.49Å; L624-T628 PolarHBondContact O-N 3.31Å; L624-T628 PolarHBondContact O-OG1 3.31Å; T628-H630 WeakPolarHBondContact CB-ND1 3.45Å; T628-H630 PolarHBondContact O-N 3.24Å; T628-H630 PolarHBondContact O-ND1 2.92Å; T628-H630 WeakPolarHBondContact OG1-CB 3.44Å; T628-H630 PolarHBondContact OG1-N 2.83Å; T628-H630 VanDerWaalsContact OG1-N 3.08Å; T628-H630 PolarHBondContact OG1-ND1 3.04Å; T628-L646 HydrophobicContact CG2-CD2 3.77Å; T628-L646 HydrophobicContact CG2-CG 4.1Å; T628-L650 HydrophobicContact CG2-CD1 3.6Å
629G77.6Confident76.7Confident64 Ų6468.7 Ų68.766%0.6638%0.375SS*.  trans62.89.4-166.100000114.8S625S625-G629 WeakPolarHBondContact O-CA 3.46Å; S625-G629 PolarHBondContact O-N 3.39Å
630H77.9Confident76.9Confident58 Ų5869.9 Ų69.927%0.26939%0.389SS..  trans-85.4144.5178.7-66.756.1000110.7S625 T628 F634 L635S625-H630 WeakPolarHBondContact CA-O 3.34Å; S625-H630 WeakPolarHBondContact CB-O 3.43Å; S625-H630 PolarHBondContact OG-O 2.67Å; T628-H630 WeakPolarHBondContact CB-ND1 3.45Å; T628-H630 PolarHBondContact O-N 3.24Å; T628-H630 PolarHBondContact O-ND1 2.92Å; T628-H630 WeakPolarHBondContact OG1-CB 3.44Å; T628-H630 PolarHBondContact OG1-N 2.83Å; T628-H630 VanDerWaalsContact OG1-N 3.08Å; T628-H630 PolarHBondContact OG1-ND1 3.04Å; H630-F634 HydrophobicContact CB-CD1 4.37Å; H630-F634 AromaticContact CD2-CD1 3.71Å; H630-F634 AromaticContact CD2-CE1 3.58Å; H630-L635 HydrophobicContact CB-CD1 3.99Å; H630-L635 HydrophobicContact CB-CD2 4.28Å; H630-L635 HydrophobicContact CB-CG 3.98Å
631R77.9Confident77.2Confident210 Ų21070.3 Ų70.379%0.79239%0.393SS*.  trans-58.1139.7176.3-67.9179.6176.8164.1-1111.1T633 F634 L635R631-T633 PolarHBondContact O-N 3.3Å; R631-F634 PolarHBondContact O-N 3.1Å; R631-L635 PolarHBondContact O-N 3.37Å
632K75.4Confident77.6Confident118 Ų11876 Ų7651%0.51341%0.413SS..Hα-helixtrans-51.4-41.2-179.4-48.7-173.7-162.2-165.30112.6L635 S636K632-L635 PolarHBondContact O-N 3.19Å; K632-S636 PolarHBondContact O-N 2.7Å; K632-S636 PolarHBondContact O-OG 2.87Å
633T72.5Confident77.9Confident83 Ų8375 Ų7551%0.50941%0.406SS..Hα-helixtrans-56-56.1179.1500000112.2R631 L635 S636 E637R631-T633 PolarHBondContact O-N 3.3Å; T633-L635 VanDerWaalsContact C-N 3.26Å; T633-L635 PolarHBondContact O-N 3.08Å; T633-S636 WeakPolarHBondContact CA-OG 3.45Å; T633-S636 WeakPolarHBondContact O-CA 3.35Å; T633-S636 PolarHBondContact O-N 2.68Å; T633-S636 PolarHBondContact O-OG 3.05Å; T633-E637 WeakPolarHBondContact O-CG 3.28Å; T633-E637 PolarHBondContact O-N 2.87Å
634F74.6Confident78.3Confident84 Ų8479.6 Ų79.637%0.36842%0.417SS..Hα-helixtrans-55.5-41.9176.4-177.4-99.6000111.9H630 R631 E637 L638H630-F634 HydrophobicContact CB-CD1 4.37Å; H630-F634 AromaticContact CD2-CD1 3.71Å; H630-F634 AromaticContact CD2-CE1 3.58Å; R631-F634 PolarHBondContact O-N 3.1Å; F634-E637 PolarHBondContact O-N 3.36Å; F634-L638 HydrophobicContact CD1-CD1 3.72Å; F634-L638 HydrophobicContact CD2-CD1 4.31Å; F634-L638 HydrophobicContact CE1-CD1 3.48Å; F634-L638 VanDerWaalsContact CE1-CD1 3.48Å; F634-L638 HydrophobicContact CE1-CD2 4.48Å; F634-L638 HydrophobicContact CE2-CD1 4.12Å; F634-L638 HydrophobicContact CG-CD1 4.15Å; F634-L638 HydrophobicContact CZ-CD1 3.71Å; F634-L638 WeakPolarHBondContact O-CD1 3.39Å; F634-L638 PolarHBondContact O-N 3.34Å
635L69.2Low78.8Confident0 Ų088.2 Ų88.20%045%0.449CS..Hα-helixtrans-69.8-31.4177.9-69.5166.5000113.3I621 L624 S625 H630 R631 K632 T633 R643 L646I621-L635 HydrophobicContact CG2-CB 3.84Å; L624-L635 HydrophobicContact CB-CD1 3.93Å; L624-L635 HydrophobicContact CB-CD2 4.34Å; S625-L635 VanDerWaalsContact N-CD1 3.33Å; H630-L635 HydrophobicContact CB-CD1 3.99Å; H630-L635 HydrophobicContact CB-CD2 4.28Å; H630-L635 HydrophobicContact CB-CG 3.98Å; R631-L635 PolarHBondContact O-N 3.37Å; K632-L635 PolarHBondContact O-N 3.19Å; T633-L635 VanDerWaalsContact C-N 3.26Å; T633-L635 PolarHBondContact O-N 3.08Å; L635-R643 WeakPolarHBondContact O-CD 3.29Å; L635-R643 PolarHBondContact O-NE 3.25Å; L635-L646 HydrophobicContact CD2-CD2 3.89Å
636S71.9Confident79.1Confident61 Ų6189.5 Ų89.543%0.42745%0.454SS..Hα-helixtrans-70-39.3170.855.70000112.8K632 T633 L638 R643K632-S636 PolarHBondContact O-N 2.7Å; K632-S636 PolarHBondContact O-OG 2.87Å; T633-S636 WeakPolarHBondContact CA-OG 3.45Å; T633-S636 WeakPolarHBondContact O-CA 3.35Å; T633-S636 PolarHBondContact O-N 2.68Å; T633-S636 PolarHBondContact O-OG 3.05Å; S636-L638 VanDerWaalsContact C-N 3.28Å; S636-L638 PolarHBondContact O-N 3.37Å; S636-R643 PolarHBondContact O-NH2 3.46Å
637E79.5Confident79.4Confident143 Ų14389 Ų8967%0.66844%0.44SS*.Hα-helixtrans-64.8-30.3174.6-68.4157.7-142.300112.4T633 F634 S639T633-E637 WeakPolarHBondContact O-CG 3.28Å; T633-E637 PolarHBondContact O-N 2.87Å; F634-E637 PolarHBondContact O-N 3.36Å; E637-S639 PolarHBondContact O-N 3.45Å
638L76Confident79.9Confident16 Ų1687.4 Ų87.48%0.08444%0.438CS..SBendtrans-63.6124.6174.3-100.672.4000111.5F634 S636 R642 R643F634-L638 HydrophobicContact CD1-CD1 3.72Å; F634-L638 HydrophobicContact CD2-CD1 4.31Å; F634-L638 HydrophobicContact CE1-CD1 3.48Å; F634-L638 VanDerWaalsContact CE1-CD1 3.48Å; F634-L638 HydrophobicContact CE1-CD2 4.48Å; F634-L638 HydrophobicContact CE2-CD1 4.12Å; F634-L638 HydrophobicContact CG-CD1 4.15Å; F634-L638 HydrophobicContact CZ-CD1 3.71Å; F634-L638 WeakPolarHBondContact O-CD1 3.39Å; F634-L638 PolarHBondContact O-N 3.34Å; S636-L638 VanDerWaalsContact C-N 3.28Å; S636-L638 PolarHBondContact O-N 3.37Å; L638-R642 HydrophobicContact CD2-CB 4.05Å; L638-R642 HydrophobicContact CD2-CG 3.91Å; L638-R642 HydrophobicContact CG-CB 4.16Å; L638-R642 HydrophobicContact CG-CG 4.26Å; L638-R643 HydrophobicContact CB-CG 3.98Å; L638-R643 PolarHBondContact O-NE 2.9Å; L638-R643 PolarHBondContact O-NH2 2.81Å
639S81.9Confident80.5Confident69 Ų6988.9 Ų88.948%0.48345%0.449SS..  trans-53.8148.6172.2690000111.8E637 S641 R642 R643E637-S639 PolarHBondContact O-N 3.45Å; S639-S641 PolarHBondContact O-N 3.14Å; S639-S641 VanDerWaalsContact O-N 3.11Å; S639-R642 WeakPolarHBondContact O-CA 3.22Å; S639-R642 PolarHBondContact O-N 2.9Å; S639-R642 PolarHBondContact OG-N 3.12Å; S639-R643 PolarHBondContact O-N 3.48Å
640S79.5Confident81Confident89 Ų8987.8 Ų87.862%0.62243%0.428SS*.Hα-helixtrans-52.7-36.2-179.756.10000112.5R644S640-R644 VanDerWaalsContact O-CB 3.26Å; S640-R644 WeakPolarHBondContact O-CB 3.36Å; S640-R644 PolarHBondContact O-N 3.47Å
641S81.4Confident81.7Confident72 Ų7289.7 Ų89.750%0.50344%0.439SS..Hα-helixtrans-60.1-44.2171.4-56.60000113.4S639 R645S639-S641 PolarHBondContact O-N 3.14Å; S639-S641 VanDerWaalsContact O-N 3.11Å; S641-R645 WeakPolarHBondContact O-CG 3.35Å; S641-R645 PolarHBondContact O-N 3.05Å; S641-R645 VanDerWaalsContact O-N 3.12Å
642R83.8Confident82.3Confident149 Ų14987.5 Ų87.556%0.56243%0.431SS*.Hα-helixtrans-74.8-41.4-179.8-151.6179.1-166.2-154.64111.2L638 S639 R644 R645 L646L638-R642 HydrophobicContact CD2-CB 4.05Å; L638-R642 HydrophobicContact CD2-CG 3.91Å; L638-R642 HydrophobicContact CG-CB 4.16Å; L638-R642 HydrophobicContact CG-CG 4.26Å; S639-R642 WeakPolarHBondContact O-CA 3.22Å; S639-R642 PolarHBondContact O-N 2.9Å; S639-R642 PolarHBondContact OG-N 3.12Å; R642-R644 PolarHBondContact O-N 2.83Å; R642-R645 PolarHBondContact O-N 3Å; R642-L646 PolarHBondContact O-N 3.03Å
643R85Confident83.1Confident60 Ų6087.5 Ų87.523%0.22643%0.432CS..Hα-helixtrans-56.7-45.3170.1-89.7-175.2-88.6170.4-14.9112.3L624 L635 S636 L638 S639 R645 L646 L647L624-R643 HydrophobicContact CD1-CB 4.17Å; L624-R643 HydrophobicContact CD1-CG 3.87Å; L635-R643 WeakPolarHBondContact O-CD 3.29Å; L635-R643 PolarHBondContact O-NE 3.25Å; S636-R643 PolarHBondContact O-NH2 3.46Å; L638-R643 HydrophobicContact CB-CG 3.98Å; L638-R643 PolarHBondContact O-NE 2.9Å; L638-R643 PolarHBondContact O-NH2 2.81Å; S639-R643 PolarHBondContact O-N 3.48Å; R643-R645 PolarHBondContact O-N 3.42Å; R643-L646 PolarHBondContact O-N 3.19Å; R643-L647 PolarHBondContact O-N 2.92Å
644R87.1Confident84Confident184 Ų18485.9 Ų85.969%0.69443%0.427SS*.Hα-helixtrans-63.2-40.3177.3-172.8176.5-68.9179.2-0.4112.2S640 R642 S648S640-R644 VanDerWaalsContact O-CB 3.26Å; S640-R644 WeakPolarHBondContact O-CB 3.36Å; S640-R644 PolarHBondContact O-N 3.47Å; R642-R644 PolarHBondContact O-N 2.83Å; R644-S648 WeakPolarHBondContact O-CB 3.47Å; R644-S648 PolarHBondContact O-N 3.42Å; R644-S648 PolarHBondContact O-OG 3Å
645R88.5Confident84.9Confident186 Ų18689 Ų8970%0.70244%0.441SS*.Hα-helixtrans-63.2-42173.5-71.1175.1-163.8171.54.5112.2S641 R642 R643 S648 S649S641-R645 WeakPolarHBondContact O-CG 3.35Å; S641-R645 PolarHBondContact O-N 3.05Å; S641-R645 VanDerWaalsContact O-N 3.12Å; R642-R645 PolarHBondContact O-N 3Å; R643-R645 PolarHBondContact O-N 3.42Å; R645-S648 PolarHBondContact O-N 3.48Å; R645-S649 PolarHBondContact O-N 2.86Å
646L86.3Confident86Confident45 Ų4592.4 Ų92.424%0.23647%0.465CS..Hα-helixtrans-61.7-49.6177.6-175.359.4000111.3L624 T628 L635 R642 R643 S648 S649 L650L624-L646 HydrophobicContact CD2-CD2 4.25Å; L624-L646 HydrophobicContact CD2-CG 4.41Å; T628-L646 HydrophobicContact CG2-CD2 3.77Å; T628-L646 HydrophobicContact CG2-CG 4.1Å; L635-L646 HydrophobicContact CD2-CD2 3.89Å; R642-L646 PolarHBondContact O-N 3.03Å; R643-L646 PolarHBondContact O-N 3.19Å; L646-S648 VanDerWaalsContact C-N 3.35Å; L646-S648 PolarHBondContact O-N 2.83Å; L646-S649 PolarHBondContact O-N 2.93Å; L646-S649 VanDerWaalsContact O-N 3.14Å; L646-L650 PolarHBondContact O-N 3.29Å
647L87.8Confident87.1Confident65 Ų6593.1 Ų93.134%0.3447%0.467SS..Hα-helixtrans-54.7-47.2171-75.9172.2000112.2L624 R643 S649 L650 I651L624-L647 HydrophobicContact CD1-CD1 4.26Å; L624-L647 HydrophobicContact CD1-CD2 4.33Å; L624-L647 HydrophobicContact CD1-CG 4.1Å; L624-L647 HydrophobicContact CD2-CD2 3.63Å; L624-L647 HydrophobicContact CD2-CG 3.88Å; L624-L647 HydrophobicContact CG-CD2 3.82Å; L624-L647 HydrophobicContact CG-CG 4.12Å; R643-L647 PolarHBondContact O-N 2.92Å; L647-S649 VanDerWaalsContact C-N 3.27Å; L647-S649 PolarHBondContact O-N 3.05Å; L647-L650 PolarHBondContact O-N 2.85Å; L647-I651 WeakPolarHBondContact O-CB 3.26Å; L647-I651 WeakPolarHBondContact O-CD1 3.4Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 3.07Å
648S87.8Confident87.8Confident66 Ų6690.8 Ų90.846%0.46246%0.459SS..Hα-helixtrans-64.7-29.3179-620000113.3R644 R645 L646 R652R644-S648 WeakPolarHBondContact O-CB 3.47Å; R644-S648 PolarHBondContact O-N 3.42Å; R644-S648 PolarHBondContact O-OG 3Å; R645-S648 PolarHBondContact O-N 3.48Å; L646-S648 VanDerWaalsContact C-N 3.35Å; L646-S648 PolarHBondContact O-N 2.83Å; S648-R652 WeakPolarHBondContact O-CB 3.45Å; S648-R652 PolarHBondContact O-N 3.12Å
649S88.5Confident88.8Confident44 Ų4496.2 Ų96.231%0.30848%0.483SS..Hα-helixtrans-72.1-49.9174.4-159.90000111.1R645 L646 L647 I651 R652 E653R645-S649 PolarHBondContact O-N 2.86Å; L646-S649 PolarHBondContact O-N 2.93Å; L646-S649 VanDerWaalsContact O-N 3.14Å; L647-S649 VanDerWaalsContact C-N 3.27Å; L647-S649 PolarHBondContact O-N 3.05Å; S649-I651 VanDerWaalsContact C-N 3.35Å; S649-I651 PolarHBondContact O-N 2.93Å; S649-R652 WeakPolarHBondContact O-CB 3.48Å; S649-R652 PolarHBondContact O-N 2.78Å; S649-R652 VanDerWaalsContact O-N 3.11Å; S649-R652 PolarHBondContact OG-NH2 2.89Å; S649-E653 WeakPolarHBondContact O-CB 3.48Å; S649-E653 PolarHBondContact O-N 3.34Å
650L89.4Confident89.4Confident42 Ų4296 Ų9622%0.2248%0.479CS..Hα-helixtrans-59.5-42.3177-72.7169.8000112.5I627 T628 L646 L647 R652 E653 A654I627-L650 HydrophobicContact CG2-CD1 3.81Å; T628-L650 HydrophobicContact CG2-CD1 3.6Å; L646-L650 PolarHBondContact O-N 3.29Å; L647-L650 PolarHBondContact O-N 2.85Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 2.81Å; L650-E653 PolarHBondContact O-N 3.04Å; L650-A654 VanDerWaalsContact O-CB 3.3Å; L650-A654 WeakPolarHBondContact O-CB 3.23Å; L650-A654 PolarHBondContact O-N 3.29Å
651I90.9Very high90.1Very high97 Ų9796.6 Ų96.650%0.49748%0.475SS..Hα-helixtrans-64.7-35177-69.3164.5000111.3L647 S649 K655L647-I651 WeakPolarHBondContact O-CB 3.26Å; L647-I651 WeakPolarHBondContact O-CD1 3.4Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 3.07Å; S649-I651 VanDerWaalsContact C-N 3.35Å; S649-I651 PolarHBondContact O-N 2.93Å; I651-K655 HydrophobicContact CG2-CD 4.49Å; I651-K655 WeakPolarHBondContact O-CB 3.4Å; I651-K655 VanDerWaalsContact O-CG 3.23Å; I651-K655 WeakPolarHBondContact O-CG 3.14Å; I651-K655 PolarHBondContact O-N 3.09Å; I651-K655 VanDerWaalsContact O-N 3.09Å
652R91.1Very high90.8Very high165 Ų16598 Ų9862%0.62348%0.476SS*.Hα-helixtrans-71.2-41.3175.3178.8-178.360.4-132.7-8.9111.6S648 S649 L650 K655 S656S648-R652 WeakPolarHBondContact O-CB 3.45Å; S648-R652 PolarHBondContact O-N 3.12Å; S649-R652 WeakPolarHBondContact O-CB 3.48Å; S649-R652 PolarHBondContact O-N 2.78Å; S649-R652 VanDerWaalsContact O-N 3.11Å; S649-R652 PolarHBondContact OG-NH2 2.89Å; L650-R652 VanDerWaalsContact C-N 3.3Å; L650-R652 PolarHBondContact O-N 2.81Å; R652-K655 PolarHBondContact O-N 3.21Å; R652-S656 PolarHBondContact O-N 2.93Å
653E92Very high91.4Very high117 Ų11797.6 Ų97.655%0.54748%0.475SS..Hα-helixtrans-64.4-51.5177.3-175.2171.4-172.300111.4S649 L650 K655 S656 V657S649-E653 WeakPolarHBondContact O-CB 3.48Å; S649-E653 PolarHBondContact O-N 3.34Å; L650-E653 PolarHBondContact O-N 3.04Å; E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3Å; E653-S656 WeakPolarHBondContact O-CA 3.1Å; E653-S656 WeakPolarHBondContact O-CB 3Å; E653-S656 PolarHBondContact O-N 3.01Å; E653-V657 PolarHBondContact O-N 2.88Å
654A91.6Very high92Very high49 Ų4998.7 Ų98.741%0.40549%0.485SS..Hα-helixtrans-57.7-38.1174.200000112.4L650 V657 N658L650-A654 VanDerWaalsContact O-CB 3.3Å; L650-A654 WeakPolarHBondContact O-CB 3.23Å; L650-A654 PolarHBondContact O-N 3.29Å; A654-V657 PolarHBondContact O-N 3.24Å; A654-N658 WeakPolarHBondContact O-CB 3.49Å; A654-N658 PolarHBondContact O-N 3.27Å; A654-N658 PolarHBondContact O-OD1 2.86Å
655K94Very high92.4Very high149 Ų14993.2 Ų93.265%0.64847%0.469SS*.Hα-helixtrans-64.8-39.3171.9-80.7-176.8174-151.30113.1I651 R652 E653 N658 H659I651-K655 HydrophobicContact CG2-CD 4.49Å; I651-K655 WeakPolarHBondContact O-CB 3.4Å; I651-K655 VanDerWaalsContact O-CG 3.23Å; I651-K655 WeakPolarHBondContact O-CG 3.14Å; I651-K655 PolarHBondContact O-N 3.09Å; I651-K655 VanDerWaalsContact O-N 3.09Å; R652-K655 PolarHBondContact O-N 3.21Å; E653-K655 VanDerWaalsContact C-N 3.28Å; E653-K655 PolarHBondContact O-N 3Å; K655-N658 PolarHBondContact O-N 3.42Å; K655-H659 WeakPolarHBondContact O-CB 3.35Å; K655-H659 PolarHBondContact O-N 3.35Å
656S92Very high92.7Very high73 Ų7389 Ų8951%0.5146%0.461SS..Hα-helixtrans-66.2-41.3176.7-1620000111.8R652 E653 T660R652-S656 PolarHBondContact O-N 2.93Å; E653-S656 WeakPolarHBondContact O-CA 3.1Å; E653-S656 WeakPolarHBondContact O-CB 3Å; E653-S656 PolarHBondContact O-N 3.01Å; S656-T660 PolarHBondContact O-N 3.17Å; S656-T660 PolarHBondContact O-OG1 3.09Å
657V95.1Very high93.2Very high76 Ų7691.3 Ų91.346%0.46147%0.47SS..Hα-helixtrans-64.2-49.5173.9175.20000110.2E653 A654 H659 T660 L661E653-V657 PolarHBondContact O-N 2.88Å; A654-V657 PolarHBondContact O-N 3.24Å; V657-H659 VanDerWaalsContact C-N 3.33Å; V657-H659 PolarHBondContact O-N 3.23Å; V657-T660 WeakPolarHBondContact O-CA 3.41Å; V657-T660 WeakPolarHBondContact O-CB 3.5Å; V657-T660 PolarHBondContact O-N 3.24Å; V657-T660 VanDerWaalsContact O-N 3.07Å; V657-L661 HydrophobicContact CG1-CD1 3.91Å; V657-L661 HydrophobicContact CG1-CG 4.28Å; V657-L661 WeakPolarHBondContact O-CG 3.38Å; V657-L661 PolarHBondContact O-N 2.82Å
658N95.1Very high93.6Very high93 Ų9392.7 Ų92.750%0.49748%0.476SS..Hα-helixtrans-61.2-38.6178.8-71.95.9000112.8A654 K655 L661 L662A654-N658 WeakPolarHBondContact O-CB 3.49Å; A654-N658 PolarHBondContact O-N 3.27Å; A654-N658 PolarHBondContact O-OD1 2.86Å; K655-N658 PolarHBondContact O-N 3.42Å; N658-L661 PolarHBondContact O-N 2.91Å; N658-L662 WeakPolarHBondContact O-CB 3.15Å; N658-L662 VanDerWaalsContact O-CG 3.27Å; N658-L662 WeakPolarHBondContact O-CG 3.29Å; N658-L662 PolarHBondContact O-N 3.12Å
659H95.7Very high93.9Very high131 Ų13193.1 Ų93.161%0.60647%0.471SS*.Hα-helixtrans-64.8-39.9173.7177.864.1000112K655 V657 L662 R663K655-H659 WeakPolarHBondContact O-CB 3.35Å; K655-H659 PolarHBondContact O-N 3.35Å; V657-H659 VanDerWaalsContact C-N 3.33Å; V657-H659 PolarHBondContact O-N 3.23Å; H659-L662 PolarHBondContact O-N 2.98Å; H659-R663 WeakPolarHBondContact O-CB 3.26Å; H659-R663 PolarHBondContact O-N 3.02Å
660T95.6Very high94.3Very high65 Ų6592.9 Ų92.940%0.39948%0.476SS..Hα-helixtrans-64.5-42.5174.9-50.80000111.3S656 V657 R663 L664S656-T660 PolarHBondContact O-N 3.17Å; S656-T660 PolarHBondContact O-OG1 3.09Å; V657-T660 WeakPolarHBondContact O-CA 3.41Å; V657-T660 WeakPolarHBondContact O-CB 3.5Å; V657-T660 PolarHBondContact O-N 3.24Å; V657-T660 VanDerWaalsContact O-N 3.07Å; T660-R663 PolarHBondContact O-N 3.35Å; T660-L664 HydrophobicContact CG2-CD1 4.15Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 2.67Å
661L94.5Very high94.5Very high100 Ų10096.8 Ų96.852%0.52449%0.492SS..Hα-helixtrans-66.1-40.9176.1-70.5173.2000112.3V657 N658 R663 L664 N665V657-L661 HydrophobicContact CG1-CD1 3.91Å; V657-L661 HydrophobicContact CG1-CG 4.28Å; V657-L661 WeakPolarHBondContact O-CG 3.38Å; V657-L661 PolarHBondContact O-N 2.82Å; N658-L661 PolarHBondContact O-N 2.91Å; L661-R663 VanDerWaalsContact C-N 3.35Å; L661-L664 PolarHBondContact O-N 3.37Å; L661-N665 WeakPolarHBondContact O-CB 3.49Å; L661-N665 PolarHBondContact O-N 3.2Å
662L94.9Very high94.7Very high103 Ų10397 Ų9754%0.53949%0.494SS..Hα-helixtrans-61.5-43.9174.1-76.3166.9000111.2N658 H659 N665 N666N658-L662 WeakPolarHBondContact O-CB 3.15Å; N658-L662 VanDerWaalsContact O-CG 3.27Å; N658-L662 WeakPolarHBondContact O-CG 3.29Å; N658-L662 PolarHBondContact O-N 3.12Å; H659-L662 PolarHBondContact O-N 2.98Å; L662-N665 PolarHBondContact O-N 2.82Å; L662-N666 VanDerWaalsContact O-CG 3.29Å; L662-N666 PolarHBondContact O-N 3Å; L662-N666 PolarHBondContact O-OD1 3.46Å
663R96.1Very high94.9Very high140 Ų14091.5 Ų91.553%0.52848%0.484SS..Hα-helixtrans-59.9-50.7175.7-163.6-157.176.1158.315.5111.5H659 T660 L661 N665 N666 E667H659-R663 WeakPolarHBondContact O-CB 3.26Å; H659-R663 PolarHBondContact O-N 3.02Å; T660-R663 PolarHBondContact O-N 3.35Å; L661-R663 VanDerWaalsContact C-N 3.35Å; R663-N665 VanDerWaalsContact C-N 3.32Å; R663-N665 PolarHBondContact O-N 2.65Å; R663-N666 PolarHBondContact O-N 3.31Å; R663-E667 IonicContact CZ-OE2 3.95Å; R663-E667 IonicContact NE-OE2 2.65Å; R663-E667 PolarHBondContact NE-OE2 2.57Å; R663-E667 IonicContact NH2-OE1 2.86Å; R663-E667 IonicContact NH2-OE2 2.64Å; R663-E667 PolarHBondContact NH2-OE2 3.5Å; R663-E667 WeakPolarHBondContact O-CB 3.41Å; R663-E667 PolarHBondContact O-N 3.23Å
664L97.2Very high95Very high82 Ų8291.7 Ų91.743%0.42949%0.485SS..Hα-helixtrans-63.3-34.6178-71.5167.6000112.9T660 L661 E667 M668T660-L664 HydrophobicContact CG2-CD1 4.15Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 2.67Å; L661-L664 PolarHBondContact O-N 3.37Å; L664-E667 WeakPolarHBondContact O-CB 3.42Å; L664-E667 PolarHBondContact O-N 3.12Å; L664-M668 VanDerWaalsContact O-CB 3.3Å; L664-M668 WeakPolarHBondContact O-CB 3.46Å; L664-M668 PolarHBondContact O-N 3.04Å
665N96.4Very high95.2Very high69 Ų6994.2 Ų94.237%0.36949%0.491SS..Hα-helixtrans-69.1-36.1176-170.719.5000111.5L661 L662 R663 Q669L661-N665 WeakPolarHBondContact O-CB 3.49Å; L661-N665 PolarHBondContact O-N 3.2Å; L662-N665 PolarHBondContact O-N 2.82Å; R663-N665 VanDerWaalsContact C-N 3.32Å; R663-N665 PolarHBondContact O-N 2.65Å; N665-Q669 WeakPolarHBondContact O-CB 3.35Å; N665-Q669 VanDerWaalsContact O-CG 3.31Å; N665-Q669 WeakPolarHBondContact O-CG 3.33Å; N665-Q669 PolarHBondContact O-N 3.28Å; N665-Q669 PolarHBondContact O-NE2 3.4Å; N665-Q669 PolarHBondContact OD1-NE2 3.25Å
666N95.8Very high95.2Very high98 Ų9890.4 Ų90.452%0.52448%0.478SS..Hα-helixtrans-72.4-38.5174-67.92.4000111.5L662 R663 Q669 G670L662-N666 VanDerWaalsContact O-CG 3.29Å; L662-N666 PolarHBondContact O-N 3Å; L662-N666 PolarHBondContact O-OD1 3.46Å; R663-N666 PolarHBondContact O-N 3.31Å; N666-Q669 PolarHBondContact O-N 2.8Å; N666-G670 PolarHBondContact O-N 2.74Å
667E95.5Very high95.4Very high94 Ų9492 Ų9244%0.43948%0.481SS..Hα-helixtrans-57.7-52.7173.4-162.6165.4179.700110.1R663 L664 Q669 G670 E671R663-E667 IonicContact CZ-OE2 3.95Å; R663-E667 IonicContact NE-OE2 2.65Å; R663-E667 PolarHBondContact NE-OE2 2.57Å; R663-E667 IonicContact NH2-OE1 2.86Å; R663-E667 IonicContact NH2-OE2 2.64Å; R663-E667 PolarHBondContact NH2-OE2 3.5Å; R663-E667 WeakPolarHBondContact O-CB 3.41Å; R663-E667 PolarHBondContact O-N 3.23Å; L664-E667 WeakPolarHBondContact O-CB 3.42Å; L664-E667 PolarHBondContact O-N 3.12Å; E667-Q669 PolarHBondContact O-N 2.79Å; E667-G670 WeakPolarHBondContact O-CA 3.34Å; E667-G670 PolarHBondContact O-N 2.87Å; E667-G670 VanDerWaalsContact O-N 3.11Å; E667-E671 PolarHBondContact O-N 3.28Å
668M96.1Very high95.4Very high93 Ų9392.6 Ų92.646%0.45848%0.479SS..Hα-helixtrans-62.9-37.5174.7-176.4-171.871.300113.6L664 G670 E671 L672L664-M668 VanDerWaalsContact O-CB 3.3Å; L664-M668 WeakPolarHBondContact O-CB 3.46Å; L664-M668 PolarHBondContact O-N 3.04Å; M668-G670 VanDerWaalsContact C-N 3.28Å; M668-G670 PolarHBondContact O-N 2.89Å; M668-E671 PolarHBondContact O-N 3.11Å; M668-L672 HydrophobicContact CG-CD1 4.19Å; M668-L672 WeakPolarHBondContact O-CB 3.38Å; M668-L672 VanDerWaalsContact O-CG 3.28Å; M668-L672 WeakPolarHBondContact O-CG 3.36Å; M668-L672 PolarHBondContact O-N 2.96Å
669Q94.5Very high95.3Very high75 Ų7594.4 Ų94.435%0.3548%0.478SS..Hα-helixtrans-66.4-31.6173.9-81.9166.9102.100111.9N665 N666 E667 A673N665-Q669 WeakPolarHBondContact O-CB 3.35Å; N665-Q669 VanDerWaalsContact O-CG 3.31Å; N665-Q669 WeakPolarHBondContact O-CG 3.33Å; N665-Q669 PolarHBondContact O-N 3.28Å; N665-Q669 PolarHBondContact O-NE2 3.4Å; N665-Q669 PolarHBondContact OD1-NE2 3.25Å; N666-Q669 PolarHBondContact O-N 2.8Å; E667-Q669 PolarHBondContact O-N 2.79Å; Q669-A673 WeakPolarHBondContact O-CB 2.97Å; Q669-A673 PolarHBondContact O-N 2.96Å
670G95.9Very high95.2Very high40 Ų4091.9 Ų91.941%0.41247%0.472SS..Hα-helixtrans-66.7-48.9171.100000112.6N666 E667 M668 L672 A673 E674N666-G670 PolarHBondContact O-N 2.74Å; E667-G670 WeakPolarHBondContact O-CA 3.34Å; E667-G670 PolarHBondContact O-N 2.87Å; E667-G670 VanDerWaalsContact O-N 3.11Å; M668-G670 VanDerWaalsContact C-N 3.28Å; M668-G670 PolarHBondContact O-N 2.89Å; G670-L672 VanDerWaalsContact C-N 3.32Å; G670-L672 PolarHBondContact O-N 2.95Å; G670-A673 WeakPolarHBondContact O-CB 3.15Å; G670-A673 PolarHBondContact O-N 3.07Å; G670-A673 VanDerWaalsContact O-N 3.15Å; G670-E674 PolarHBondContact O-N 3.16Å
671E94.8Very high95.1Very high123 Ų12393.1 Ų93.158%0.57548%0.476SS*.Hα-helixtrans-59.1-41.8175.4-68.3-178.8165.500112E667 M668 A673 E674 L675E667-E671 PolarHBondContact O-N 3.28Å; M668-E671 PolarHBondContact O-N 3.11Å; E671-A673 VanDerWaalsContact C-N 3.34Å; E671-A673 PolarHBondContact O-N 3.04Å; E671-E674 PolarHBondContact O-N 3.45Å; E671-L675 WeakPolarHBondContact O-CB 3.25Å; E671-L675 VanDerWaalsContact O-CG 3.3Å; E671-L675 WeakPolarHBondContact O-CG 3.34Å; E671-L675 PolarHBondContact O-N 3.2Å
672L93.8Very high95Very high101 Ų10193 Ų9353%0.52948%0.476SS..Hα-helixtrans-65.6-34.7176-75170000112.8M668 G670 N676M668-L672 HydrophobicContact CG-CD1 4.19Å; M668-L672 WeakPolarHBondContact O-CB 3.38Å; M668-L672 VanDerWaalsContact O-CG 3.28Å; M668-L672 WeakPolarHBondContact O-CG 3.36Å; M668-L672 PolarHBondContact O-N 2.96Å; G670-L672 VanDerWaalsContact C-N 3.32Å; G670-L672 PolarHBondContact O-N 2.95Å; L672-N676 VanDerWaalsContact O-CB 3.31Å; L672-N676 WeakPolarHBondContact O-CB 3.48Å; L672-N676 PolarHBondContact O-N 3.33Å
673A95.3Very high94.7Very high51 Ų5194.5 Ų94.542%0.42147%0.474SS..Hα-helixtrans-67.1-48.5173.600000111Q669 G670 E671 L675 N676 D677Q669-A673 WeakPolarHBondContact O-CB 2.97Å; Q669-A673 PolarHBondContact O-N 2.96Å; G670-A673 WeakPolarHBondContact O-CB 3.15Å; G670-A673 PolarHBondContact O-N 3.07Å; G670-A673 VanDerWaalsContact O-N 3.15Å; E671-A673 VanDerWaalsContact C-N 3.34Å; E671-A673 PolarHBondContact O-N 3.04Å; A673-L675 PolarHBondContact O-N 3.18Å; A673-N676 PolarHBondContact O-N 3.07Å; A673-N676 VanDerWaalsContact O-N 3.12Å; A673-D677 PolarHBondContact O-N 3.46Å
674E95.5Very high94.3Very high120 Ų12089.6 Ų89.656%0.56146%0.464SS*.Hα-helixtrans-61.1-45.2178.4-163.4-167.7144.900111.6G670 E671 N676 D677 Q678G670-E674 PolarHBondContact O-N 3.16Å; E671-E674 PolarHBondContact O-N 3.45Å; E674-N676 VanDerWaalsContact C-N 3.28Å; E674-N676 PolarHBondContact O-N 2.73Å; E674-D677 PolarHBondContact O-N 2.6Å; E674-Q678 WeakPolarHBondContact O-CB 3.41Å; E674-Q678 VanDerWaalsContact O-CG 3.29Å; E674-Q678 WeakPolarHBondContact O-CG 3.41Å; E674-Q678 PolarHBondContact O-N 2.99Å; E674-Q678 PolarHBondContact OE1-NE2 3.06Å
675L94.5Very high94Very high103 Ų10390.2 Ų90.254%0.53946%0.464SS..Hα-helixtrans-63.3-33.1175.8-72.5173.2000112.5E671 A673 R679E671-L675 WeakPolarHBondContact O-CB 3.25Å; E671-L675 VanDerWaalsContact O-CG 3.3Å; E671-L675 WeakPolarHBondContact O-CG 3.34Å; E671-L675 PolarHBondContact O-N 3.2Å; A673-L675 PolarHBondContact O-N 3.18Å; L675-R679 WeakPolarHBondContact O-CB 3.4Å; L675-R679 PolarHBondContact O-N 3.44Å
676N95.1Very high93.5Very high69 Ų6990.1 Ų90.137%0.36946%0.463SS..Hα-helixtrans-72.8-38174.5-172.572000112.1L672 A673 E674 R679 V680L672-N676 VanDerWaalsContact O-CB 3.31Å; L672-N676 WeakPolarHBondContact O-CB 3.48Å; L672-N676 PolarHBondContact O-N 3.33Å; A673-N676 PolarHBondContact O-N 3.07Å; A673-N676 VanDerWaalsContact O-N 3.12Å; E674-N676 VanDerWaalsContact C-N 3.28Å; E674-N676 PolarHBondContact O-N 2.73Å; N676-R679 CarbonylContact O-C 3.59Å; N676-R679 WeakPolarHBondContact O-CB 3.31Å; N676-R679 PolarHBondContact O-N 3.49Å; N676-R679 PolarHBondContact OD1-NH1 3.46Å; N676-V680 VanDerWaalsContact O-CG2 3.32Å; N676-V680 WeakPolarHBondContact O-CG2 3.41Å; N676-V680 PolarHBondContact O-N 3.09Å
677D95Very high92.9Very high106 Ų10692.3 Ų92.357%0.56747%0.471SS*.Hα-helixtrans-66.6-41.3174.2-75-9.8000111.5A673 E674 R679 V680 N681A673-D677 PolarHBondContact O-N 3.46Å; E674-D677 PolarHBondContact O-N 2.6Å; D677-R679 VanDerWaalsContact C-N 3.34Å; D677-R679 PolarHBondContact O-N 3.25Å; D677-V680 PolarHBondContact O-N 3.33Å; D677-N681 VanDerWaalsContact O-CB 3.29Å; D677-N681 WeakPolarHBondContact O-CB 3.5Å; D677-N681 PolarHBondContact O-N 3.3Å
678Q95.4Very high92.2Very high89 Ų8996 Ų9642%0.41649%0.487SS..Hα-helixtrans-58.4-44.9170.3-70.5177.921.300111.1E674 N681 L682E674-Q678 WeakPolarHBondContact O-CB 3.41Å; E674-Q678 VanDerWaalsContact O-CG 3.29Å; E674-Q678 WeakPolarHBondContact O-CG 3.41Å; E674-Q678 PolarHBondContact O-N 2.99Å; E674-Q678 PolarHBondContact OE1-NE2 3.06Å; Q678-N681 PolarHBondContact O-N 3.01Å; Q678-L682 WeakPolarHBondContact O-CB 2.96Å; Q678-L682 VanDerWaalsContact O-CG 3.28Å; Q678-L682 WeakPolarHBondContact O-CG 3.45Å; Q678-L682 PolarHBondContact O-N 3.38Å
679R94.2Very high91.6Very high130 Ų13097.5 Ų97.549%0.49150%0.497SS..Hα-helixtrans-63.3-39.1175.8173.4-173.2179.1-136.111112.9L675 N676 D677 R683L675-R679 WeakPolarHBondContact O-CB 3.4Å; L675-R679 PolarHBondContact O-N 3.44Å; N676-R679 CarbonylContact O-C 3.59Å; N676-R679 WeakPolarHBondContact O-CB 3.31Å; N676-R679 PolarHBondContact O-N 3.49Å; N676-R679 PolarHBondContact OD1-NH1 3.46Å; D677-R679 VanDerWaalsContact C-N 3.34Å; D677-R679 PolarHBondContact O-N 3.25Å; R679-R683 VanDerWaalsContact O-CB 3.3Å; R679-R683 WeakPolarHBondContact O-CB 3.28Å; R679-R683 VanDerWaalsContact O-CG 3.24Å; R679-R683 WeakPolarHBondContact O-CG 3.29Å; R679-R683 PolarHBondContact O-N 2.75Å
680V93Very high90.8Very high78 Ų7896.9 Ų96.947%0.47351%0.511SS..Hα-helixtrans-68.7-43.9175.91680000110.6N676 D677 R683 A684N676-V680 VanDerWaalsContact O-CG2 3.32Å; N676-V680 WeakPolarHBondContact O-CG2 3.41Å; N676-V680 PolarHBondContact O-N 3.09Å; D677-V680 PolarHBondContact O-N 3.33Å; V680-R683 PolarHBondContact O-N 3.03Å; V680-A684 WeakPolarHBondContact O-CB 3.46Å; V680-A684 PolarHBondContact O-N 3.42Å
681N92.5Very high89.6Confident91 Ų91100 Ų10049%0.48752%0.517SS..Hα-helixtrans-62-48176.2-170.9-2.9000111.5D677 Q678 R683 A684 Q685D677-N681 VanDerWaalsContact O-CB 3.29Å; D677-N681 WeakPolarHBondContact O-CB 3.5Å; D677-N681 PolarHBondContact O-N 3.3Å; Q678-N681 PolarHBondContact O-N 3.01Å; N681-R683 VanDerWaalsContact C-N 3.35Å; N681-R683 PolarHBondContact O-N 3.42Å; N681-A684 PolarHBondContact O-N 3.27Å; N681-Q685 WeakPolarHBondContact O-CG 3.14Å; N681-Q685 PolarHBondContact O-N 3.13Å; N681-Q685 PolarHBondContact OD1-NE2 3.18Å
682L92.5Very high88.1Confident99 Ų99102.1 Ų102.152%0.51853%0.527SS..Hα-helixtrans-61.6-39.4174.9-72.3170.5000112.4Q678 Q685 L686Q678-L682 WeakPolarHBondContact O-CB 2.96Å; Q678-L682 VanDerWaalsContact O-CG 3.28Å; Q678-L682 WeakPolarHBondContact O-CG 3.45Å; Q678-L682 PolarHBondContact O-N 3.38Å; L682-Q685 PolarHBondContact O-N 3.14Å; L682-L686 WeakPolarHBondContact O-CB 3Å; L682-L686 VanDerWaalsContact O-CG 3.3Å; L682-L686 WeakPolarHBondContact O-CG 3.21Å; L682-L686 PolarHBondContact O-N 3.22Å
683R88.9Confident86.5Confident133 Ų133101.3 Ų101.350%0.50253%0.528SS..Hα-helixtrans-63.6-42.2173.2-81.5172.6161.9-164.2-11.3112.4R679 V680 N681 L686 Q687R679-R683 VanDerWaalsContact O-CB 3.3Å; R679-R683 WeakPolarHBondContact O-CB 3.28Å; R679-R683 VanDerWaalsContact O-CG 3.24Å; R679-R683 WeakPolarHBondContact O-CG 3.29Å; R679-R683 PolarHBondContact O-N 2.75Å; V680-R683 PolarHBondContact O-N 3.03Å; N681-R683 VanDerWaalsContact C-N 3.35Å; N681-R683 PolarHBondContact O-N 3.42Å; R683-L686 PolarHBondContact O-N 3.15Å; R683-Q687 WeakPolarHBondContact O-CB 3.06Å; R683-Q687 PolarHBondContact O-N 3.29Å
684A89.2Confident84.7Confident37 Ų37103.7 Ų103.731%0.30655%0.548SS..Hα-helixtrans-63.2-41.7175.200000111.5V680 N681 Q687 H688V680-A684 WeakPolarHBondContact O-CB 3.46Å; V680-A684 PolarHBondContact O-N 3.42Å; N681-A684 PolarHBondContact O-N 3.27Å; A684-Q687 PolarHBondContact O-N 2.98Å; A684-H688 PolarHBondContact O-N 3.31Å; A684-H688 PolarHBondContact O-ND1 3.36Å
685Q89.4Confident82.6Confident95 Ų95108.2 Ų108.244%0.44458%0.583SS.*Hα-helixtrans-63.1-46.1175-69.3172.328.300111.9N681 L682 Q687 H688 L689N681-Q685 WeakPolarHBondContact O-CG 3.14Å; N681-Q685 PolarHBondContact O-N 3.13Å; N681-Q685 PolarHBondContact OD1-NE2 3.18Å; L682-Q685 PolarHBondContact O-N 3.14Å; Q685-Q687 VanDerWaalsContact C-N 3.32Å; Q685-Q687 PolarHBondContact O-N 3.22Å; Q685-H688 PolarHBondContact O-N 3.27Å; Q685-L689 WeakPolarHBondContact O-CG 3.34Å; Q685-L689 PolarHBondContact O-N 3.29Å
686L85.9Confident82Confident67 Ų67108.5 Ų108.535%0.35159%0.585SS.*Hα-helixtrans-60.2-40.7175.2-75.5170.4000112.2L682 R683 L689 G690 L691L682-L686 WeakPolarHBondContact O-CB 3Å; L682-L686 VanDerWaalsContact O-CG 3.3Å; L682-L686 WeakPolarHBondContact O-CG 3.21Å; L682-L686 PolarHBondContact O-N 3.22Å; R683-L686 PolarHBondContact O-N 3.15Å; L686-L689 CarbonylContact O-C 3.52Å; L686-L689 PolarHBondContact O-N 3.38Å; L686-G690 PolarHBondContact O-N 3.1Å; L686-L691 HydrophobicContact CD2-CB 3.94Å; L686-L691 HydrophobicContact CD2-CD1 4.16Å; L686-L691 PolarHBondContact O-N 2.61Å
687Q83.3Confident81.3Confident145 Ų145110.5 Ų110.568%0.67860%0.596SS**Hα-helixtrans-63.2-41.3174.6-173.1177.54.700112.3R683 A684 Q685 L689 G690R683-Q687 WeakPolarHBondContact O-CB 3.06Å; R683-Q687 PolarHBondContact O-N 3.29Å; A684-Q687 PolarHBondContact O-N 2.98Å; Q685-Q687 VanDerWaalsContact C-N 3.32Å; Q685-Q687 PolarHBondContact O-N 3.22Å; Q687-L689 VanDerWaalsContact C-N 3.28Å; Q687-L689 PolarHBondContact O-N 2.83Å; Q687-G690 PolarHBondContact O-N 2.78Å; Q687-G690 VanDerWaalsContact O-N 3.17Å
688H81Confident80.5Confident170 Ų170110.8 Ų110.879%0.78760%0.598SS**Hα-helixtrans-67.1-27.2174.1-76.977.5000113A684 Q685 G690A684-H688 PolarHBondContact O-N 3.31Å; A684-H688 PolarHBondContact O-ND1 3.36Å; Q685-H688 PolarHBondContact O-N 3.27Å; H688-G690 VanDerWaalsContact C-N 3.29Å
689L83.3Confident79.7Confident126 Ų126112.1 Ų112.166%0.6661%0.609SS**THydrogen-bonded Turntrans-83.7-0.2174.3-67.8170.5000113.4Q685 L686 Q687 L691Q685-L689 WeakPolarHBondContact O-CG 3.34Å; Q685-L689 PolarHBondContact O-N 3.29Å; L686-L689 CarbonylContact O-C 3.52Å; L686-L689 PolarHBondContact O-N 3.38Å; Q687-L689 VanDerWaalsContact C-N 3.28Å; Q687-L689 PolarHBondContact O-N 2.83Å; L689-L691 HydrophobicContact CB-CD1 4.23Å; L689-L691 HydrophobicContact CB-CG 4.19Å; L689-L691 PolarHBondContact O-N 3.27Å
690G77.3Confident78.8Confident62 Ų62110.9 Ų110.964%0.63962%0.616SS**THydrogen-bonded Turntrans70.45.9-175.100000114.4L686 Q687 H688 Q692L686-G690 PolarHBondContact O-N 3.1Å; Q687-G690 PolarHBondContact O-N 2.78Å; Q687-G690 VanDerWaalsContact O-N 3.17Å; H688-G690 VanDerWaalsContact C-N 3.29Å; G690-Q692 PolarHBondContact O-N 3.17Å; G690-Q692 VanDerWaalsContact O-N 3.17Å
691L72.3Confident77.8Confident104 Ų104113.1 Ų113.155%0.54563%0.625SS.*  trans-88.873-179.2-63.7177000109.8L686 L689 P693L686-L691 HydrophobicContact CD2-CB 3.94Å; L686-L691 HydrophobicContact CD2-CD1 4.16Å; L686-L691 PolarHBondContact O-N 2.61Å; L689-L691 HydrophobicContact CB-CD1 4.23Å; L689-L691 HydrophobicContact CB-CG 4.19Å; L689-L691 PolarHBondContact O-N 3.27Å; L691-P693 WeakPolarHBondContact O-CD 3.47Å
692Q62.1Low76.8Confident169 Ų169114.7 Ų114.779%0.7964%0.635SS**PPolyproline II helixtrans-60.2127.9167.1-78.4-168.2-24.200109.4G690 A694G690-Q692 PolarHBondContact O-N 3.17Å; G690-Q692 VanDerWaalsContact O-N 3.17Å; Q692-A694 PolarHBondContact O-N 3.45Å
693P60.2Low75.6Confident84 Ų84115.9 Ų115.955%0.54564%0.644SS.*PPolyproline II helixtrans-64130.1163.128.6-31.9000107.9L691L691-P693 WeakPolarHBondContact O-CD 3.47Å
694A58.2Low74.4Confident101 Ų101114.5 Ų114.584%0.83566%0.656SS**PPolyproline II helixtrans-58.7139.8166.100000109.1Q692Q692-A694 PolarHBondContact O-N 3.45Å
695V51Low73.1Confident214 Ų214121.5 Ų121.5100%1.29769%0.688SS**  trans-79.70-179.9-179.30000110

Retrieved 695 of 695 residues in 339.4 ms (Link to these results)

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