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Estrogen-related receptor gamma

Orphan receptor that acts as a transcription activator in the absence of bound ligand. Binds specifically to an estrogen response element and activates reporter genes controlled by estrogen response elements (By similarity). Induces the expression of PERM1 in the skeletal muscle.

AlphaFold DB (P62509), UniProt , Accession P62508, Species HUMAN (Homo sapiens, Human), Gene ESRRG, Length 458 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
1M33.2Very low35Very low229 Ų229142.2 Ų142.2100%1.12879%0.786SS**  0105.70-82.4-175.7173.200104.9
2D33.3Very low35Very low148 Ų148144 Ų14479%0.79178%0.781SS**  trans-132.2175.8-138.5-48.1-75.6000110.7
3S34.7Very low35.3Very low111 Ų111139.4 Ų139.478%0.77677%0.766SS**  trans65.389.2-179.4-53.10000113.3
4V37.5Very low35.6Very low126 Ų126137.9 Ų137.976%0.76476%0.755SS**  59.395.866-170.80000111.5
5E33.7Very low36.2Very low189 Ų189137.3 Ų137.388%0.88375%0.745SS**  trans-68.5125160.7-79.3175.9119.700109.5
6L34.9Very low36.6Very low149 Ų149131.8 Ų131.878%0.7871%0.71SS**  trans-98.891.7172.3-92161.9000109.4L8L6-L8 PolarHBondContact O-N 3.11Å; L6-L8 VanDerWaalsContact O-N 3.11Å
7C34.6Very low37.4Very low121 Ų121128.3 Ų128.382%0.81869%0.688SS**  trans-68.6103.3165.2-64.40000109.5
8L33.3Very low38.3Very low151 Ų151127.1 Ų127.179%0.79168%0.678SS**  trans-77.4143.3163-70.1172.2000109.5L6 E10L6-L8 PolarHBondContact O-N 3.11Å; L6-L8 VanDerWaalsContact O-N 3.11Å; L8-E10 PolarHBondContact O-N 3.1Å
9P35.5Very low39.3Very low83 Ų83124.1 Ų124.154%0.53966%0.659SS.*  trans-83.1117.8-175.131.6-33.5000112S11 F12P9-S11 PolarHBondContact O-N 3.48Å; P9-F12 PolarHBondContact O-N 3.07Å
10E37.9Very low40.1Very low181 Ų181118 Ų11885%0.84663%0.627SS**THydrogen-bonded Turntrans-57.9-18.2178.1-61.3174.2127.300113.8L8 F12L8-E10 PolarHBondContact O-N 3.1Å; E10-F12 PolarHBondContact O-N 3.36Å; E10-F12 VanDerWaalsContact O-N 3.15Å
11S35.8Very low40.8Very low76 Ų76115.3 Ų115.353%0.53161%0.612SS.*Hα-helixtrans-67.2-10.3-176.460.40000115.6P9P9-S11 PolarHBondContact O-N 3.48Å
12F34.9Very low41.9Very low164 Ų164107.8 Ų107.872%0.71958%0.582SS**Hα-helixtrans-84.5-33.3180-109.8-91.6000113.9P9 E10 Y16P9-F12 PolarHBondContact O-N 3.07Å; E10-F12 PolarHBondContact O-N 3.36Å; E10-F12 VanDerWaalsContact O-N 3.15Å; F12-Y16 PolarHBondContact O-N 3.21Å
13S38.9Very low43.2Very low84 Ų84104.7 Ų104.759%0.58756%0.559SS**Hα-helixtrans-65.9-40.8-178.5-69.40000112.9H15 Y16 E17S13-H15 PolarHBondContact O-N 3.4Å; S13-Y16 WeakPolarHBondContact O-CB 3.43Å; S13-Y16 PolarHBondContact O-N 3.11Å; S13-Y16 VanDerWaalsContact O-N 3.13Å; S13-E17 PolarHBondContact O-N 2.63Å
14L40.4Very low44.3Very low119 Ų119100.2 Ų100.262%0.62353%0.526SS*.Hα-helixtrans-62.8-38.4-175.8-67.9170.6000112.9E18L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 PolarHBondContact O-N 2.62Å
15H44.8Very low44.8Very low129 Ų12999 Ų9960%0.59752%0.523SS*.Hα-helixtrans-73.4-31.1175.3-81.1-43.5000113.1S13 E18 E19S13-H15 PolarHBondContact O-N 3.4Å; H15-E18 IonicContact CE1-OE2 3.3Å; H15-E18 IonicContact ND1-OE2 3.92Å; H15-E18 PolarHBondContact ND1-OE2 3.29Å; H15-E18 PolarHBondContact O-N 3.5Å; H15-E19 PolarHBondContact O-N 3.11Å; H15-E19 VanDerWaalsContact O-N 3.11Å
16Y41.9Very low45.1Very low48 Ų4896.3 Ų96.319%0.18852%0.515CS..Hα-helixtrans-63.1-46.4173.3-179.3-74.1000110.6F12 S13 L20 M298 Q302 E452 A456F12-Y16 PolarHBondContact O-N 3.21Å; S13-Y16 WeakPolarHBondContact O-CB 3.43Å; S13-Y16 PolarHBondContact O-N 3.11Å; S13-Y16 VanDerWaalsContact O-N 3.13Å; Y16-L20 HydrophobicContact CE1-CD1 4.16Å; Y16-L20 PolarHBondContact O-N 3.49Å; Y16-M298 HydrophobicContact CD1-CE 3.76Å; Y16-M298 HydrophobicContact CE1-CE 3.61Å; Y16-Q302 PolarHBondContact OH-NE2 2.85Å; Y16-E452 HydrophobicContact CD2-CG 4.49Å; Y16-E452 HydrophobicContact CE2-CB 3.72Å; Y16-E452 HydrophobicContact CE2-CG 4.04Å; Y16-E452 WeakPolarHBondContact CE2-O 3.16Å; Y16-E452 PolarHBondContact OH-O 3.01Å; Y16-A456 WeakPolarHBondContact OH-CB 3.47Å
17E51Low45.4Very low73 Ų7395.2 Ų95.234%0.34150%0.504SS..Hα-helixtrans-57.7-56.1173.1-68.2-176.4133.700110.1S13 E19 L20 L21 M298S13-E17 PolarHBondContact O-N 2.63Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 2.98Å; E17-L20 CarbonylContact O-C 3.47Å; E17-L20 PolarHBondContact O-N 3.35Å; E17-L21 VanDerWaalsContact O-CD2 3.28Å; E17-L21 WeakPolarHBondContact O-CD2 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 3.15Å; E17-M298 HydrophobicContact CB-CE 4.45Å; E17-M298 HydrophobicContact CB-SD 4.28Å; E17-M298 HydrophobicContact CG-CE 4.15Å; E17-M298 HydrophobicContact CG-SD 4.28Å
18E52.5Low45.2Very low106 Ų10696.8 Ų96.850%0.49550%0.504SS..Hα-helixtrans-51.3-41.9-176.7-168.4172.6-144.500113.7L14 H15 L21 C22L14-E18 WeakPolarHBondContact O-CB 3.48Å; L14-E18 PolarHBondContact O-N 2.62Å; H15-E18 IonicContact CE1-OE2 3.3Å; H15-E18 IonicContact ND1-OE2 3.92Å; H15-E18 PolarHBondContact ND1-OE2 3.29Å; H15-E18 PolarHBondContact O-N 3.5Å; E18-L21 WeakPolarHBondContact O-CB 3.3Å; E18-L21 PolarHBondContact O-N 2.92Å; E18-C22 PolarHBondContact O-N 3.12Å; E18-C22 PolarHBondContact O-SG 3.4Å; E18-C22 VanDerWaalsContact O-SG 3.39Å
19E57.4Low45.2Very low70 Ų70101.1 Ų101.133%0.32751%0.51SS..Hα-helixtrans-73.3-36.9179.1-166.5166.1159.400113H15 E17 L21 C22 R23 K448H15-E19 PolarHBondContact O-N 3.11Å; H15-E19 VanDerWaalsContact O-N 3.11Å; E17-E19 VanDerWaalsContact C-N 3.3Å; E17-E19 PolarHBondContact O-N 2.98Å; E19-L21 VanDerWaalsContact C-N 3.32Å; E19-C22 PolarHBondContact O-N 3.22Å; E19-R23 WeakPolarHBondContact O-CG 3.47Å; E19-R23 PolarHBondContact O-N 3.03Å; E19-R23 VanDerWaalsContact O-N 3.13Å; E19-R23 IonicContact OE1-CZ 2.81Å; E19-R23 IonicContact OE1-NE 3.71Å; E19-R23 IonicContact OE1-NH2 2.72Å; E19-R23 PolarHBondContact OE1-NH2 2.92Å; E19-K448 IonicContact OE1-NZ 3.05Å; E19-K448 PolarHBondContact OE1-NZ 3.13Å; E19-K448 IonicContact OE2-NZ 3.67Å; E19-K448 PolarHBondContact OE2-NZ 3.45Å
20L55.9Low45.1Very low3 Ų3105 Ų1052%0.01652%0.52CS..Hα-helixtrans-67.4-35.7170.2-125.4109.4000110.9Y16 E17 C22 R23 M24 M298Y16-L20 HydrophobicContact CE1-CD1 4.16Å; Y16-L20 PolarHBondContact O-N 3.49Å; E17-L20 CarbonylContact O-C 3.47Å; E17-L20 PolarHBondContact O-N 3.35Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.31Å; L20-R23 CarbonylContact O-C 3.56Å; L20-R23 PolarHBondContact O-N 2.84Å; L20-M24 HydrophobicContact CD2-SD 4.22Å; L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 VanDerWaalsContact O-CG 3.29Å; L20-M24 WeakPolarHBondContact O-CG 3.48Å; L20-M24 PolarHBondContact O-N 2.93Å; L20-M298 HydrophobicContact CB-CE 3.63Å; L20-M298 HydrophobicContact CB-CG 4.48Å; L20-M298 HydrophobicContact CB-SD 3.77Å; L20-M298 HydrophobicContact CD1-CE 4.37Å; L20-M298 HydrophobicContact CD2-CE 3.99Å; L20-M298 HydrophobicContact CD2-CG 3.84Å; L20-M298 HydrophobicContact CD2-SD 4.22Å; L20-M298 HydrophobicContact CG-CE 4.18Å
21L54.5Low44.7Very low61 Ų61104.3 Ų104.332%0.31952%0.521SS..Hα-helixtrans-59.8-44.6173.7-55.3-149.9000110.5E17 E18 E19 R23 M24 S25 L294 M298E17-L21 VanDerWaalsContact O-CD2 3.28Å; E17-L21 WeakPolarHBondContact O-CD2 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.49Å; E17-L21 PolarHBondContact O-N 3.15Å; E18-L21 WeakPolarHBondContact O-CB 3.3Å; E18-L21 PolarHBondContact O-N 2.92Å; E19-L21 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.48Å; L21-M24 CarbonylContact O-C 3.57Å; L21-M24 PolarHBondContact O-N 3.36Å; L21-M24 VanDerWaalsContact O-N 3.13Å; L21-S25 VanDerWaalsContact O-CB 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.28Å; L21-S25 PolarHBondContact O-N 3.05Å; L21-L294 HydrophobicContact CB-CD2 4.35Å; L21-L294 HydrophobicContact CD1-CD2 3.77Å; L21-L294 HydrophobicContact CD2-CD1 4.31Å; L21-L294 HydrophobicContact CD2-CD2 3.62Å; L21-L294 HydrophobicContact CD2-CG 3.59Å; L21-L294 HydrophobicContact CG-CD2 4.08Å; L21-M298 HydrophobicContact CD2-SD 3.62Å
22C57.2Low44.6Very low72 Ų72107.1 Ų107.149%0.48653%0.53SS..Hα-helixtrans-61-43.3175.9-740000112.4E18 E19 L20 M24 N26E18-C22 PolarHBondContact O-N 3.12Å; E18-C22 PolarHBondContact O-SG 3.4Å; E18-C22 VanDerWaalsContact O-SG 3.39Å; E19-C22 PolarHBondContact O-N 3.22Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.31Å; C22-M24 VanDerWaalsContact C-N 3.28Å; C22-M24 PolarHBondContact O-N 3.38Å; C22-N26 PolarHBondContact O-N 2.98Å; C22-N26 PolarHBondContact O-ND2 2.93Å
23R60.9Low44.4Very low82 Ų82104.5 Ų104.531%0.30953%0.532SS..Hα-helixtrans-69.4-26.9174.9-62.6178.7-161.7156.49.8111.9E19 L20 L21 E452E19-R23 WeakPolarHBondContact O-CG 3.47Å; E19-R23 PolarHBondContact O-N 3.03Å; E19-R23 VanDerWaalsContact O-N 3.13Å; E19-R23 IonicContact OE1-CZ 2.81Å; E19-R23 IonicContact OE1-NE 3.71Å; E19-R23 IonicContact OE1-NH2 2.72Å; E19-R23 PolarHBondContact OE1-NH2 2.92Å; L20-R23 CarbonylContact O-C 3.56Å; L20-R23 PolarHBondContact O-N 2.84Å; L21-R23 PolarHBondContact O-N 3.48Å; R23-E452 IonicContact CZ-OE2 3.14Å; R23-E452 IonicContact NH1-OE2 2.8Å; R23-E452 PolarHBondContact NH1-OE2 3.12Å; R23-E452 IonicContact NH2-OE1 2.85Å; R23-E452 PolarHBondContact NH2-OE1 3.09Å; R23-E452 IonicContact NH2-OE2 3.77Å; R23-E452 PolarHBondContact NH2-OE2 3.47Å; R23-E452 VanDerWaalsContact NH2-OE2 3.11Å
24M56.7Low44.2Very low17 Ų17106.2 Ų106.28%0.08454%0.544CS..Hα-helixtrans-79.9-35.9175.7-74.2-174.970.200113.6L20 L21 C22 I280 K284 L294 Q297 M298 L301L20-M24 HydrophobicContact CD2-SD 4.22Å; L20-M24 WeakPolarHBondContact O-CB 3.43Å; L20-M24 VanDerWaalsContact O-CG 3.29Å; L20-M24 WeakPolarHBondContact O-CG 3.48Å; L20-M24 PolarHBondContact O-N 2.93Å; L21-M24 CarbonylContact O-C 3.57Å; L21-M24 PolarHBondContact O-N 3.36Å; L21-M24 VanDerWaalsContact O-N 3.13Å; C22-M24 VanDerWaalsContact C-N 3.28Å; C22-M24 PolarHBondContact O-N 3.38Å; M24-I280 HydrophobicContact CG-CG2 4.13Å; M24-K284 PolarHBondContact O-NZ 3.38Å; M24-L294 HydrophobicContact CB-CD1 4.35Å; M24-L294 HydrophobicContact CE-CD1 3.5Å; M24-L294 HydrophobicContact SD-CD1 3.8Å; M24-Q297 HydrophobicContact CE-CB 3.78Å; M24-Q297 HydrophobicContact CE-CG 4.5Å; M24-M298 HydrophobicContact SD-CG 4.19Å; M24-L301 HydrophobicContact SD-CD1 4.46Å
25S49.1Very low43.7Very low100 Ų100105.9 Ų105.970%0.69955%0.55SS**Hα-helixtrans-79.8-19.8-174.9-171.40000114.6L21 K27L21-S25 VanDerWaalsContact O-CB 3.26Å; L21-S25 WeakPolarHBondContact O-CB 3.28Å; L21-S25 PolarHBondContact O-N 3.05Å; S25-K27 PolarHBondContact O-N 2.67Å
26N39.4Very low43.1Very low133 Ų133104.3 Ų104.371%0.71155%0.554SS**  trans-74.897.4-177.9-84.9-54.6000112.7C22C22-N26 PolarHBondContact O-N 2.98Å; C22-N26 PolarHBondContact O-ND2 2.93Å
27K39.9Very low42.6Very low126 Ų126106.7 Ų106.755%0.54858%0.577SS.*  trans-136.5158.1157.8-92.2-175.6173.5176.10110.3S25 H285S25-K27 PolarHBondContact O-N 2.67Å; K27-H285 PolarHBondContact NZ-NE2 2.89Å
28D31Very low41.9Very low154 Ų154113.2 Ų113.282%0.82461%0.605SS**  trans65.663.2167.8-55.9-32.2000119
29R33.3Very low40.9Very low242 Ų242115.7 Ų115.791%0.91362%0.62SS**  trans-137.5126.3144.7-70.9-163.2176.6-171-0.1112.8
30H33.2Very low39.8Very low164 Ų164121.2 Ų121.276%0.75964%0.643SS**  trans49.5107169.9-81.5-97.4000119.5D32H30-D32 IonicContact CE1-OD2 2.98Å; H30-D32 IonicContact CG-OD2 2.76Å; H30-D32 IonicContact ND1-OD2 3.12Å; H30-D32 PolarHBondContact ND1-OD2 3.22Å
31I29.7Very low38.9Very low167 Ų167126.9 Ų126.986%0.85668%0.678SS**  trans-83.5120.9141.7-63.2170000106.8
32D34Very low38.1Very low136 Ų136132.6 Ų132.673%0.72770%0.703SS**  trans-137.9137.9161.3-93.7-62.3000109.4H30H30-D32 IonicContact CE1-OD2 2.98Å; H30-D32 IonicContact CG-OD2 2.76Å; H30-D32 IonicContact ND1-OD2 3.12Å; H30-D32 PolarHBondContact ND1-OD2 3.22Å
33S30.4Very low37.3Very low109 Ų109133.9 Ų133.976%0.76271%0.71SS**  trans-122.899.6-161.51620000112.3
34S35.3Very low36.3Very low120 Ų120135.6 Ų135.684%0.83974%0.735SS**  trans-177.1152.8165.3-83.90000110.5
35C29.4Very low35.4Very low111 Ų111140.4 Ų140.475%0.7577%0.77SS**  cis-164.2154.8-25-164.40000108.9
36S32.5Very low35.1Very low96 Ų96141.2 Ų141.267%0.67177%0.773SS**  trans31.3107.1157.762.90000121
37S31.6Very low35.1Very low98 Ų98139.4 Ų139.469%0.68578%0.776SS**  trans5.7132.6134.758.90000120.5
38F36.3Very low35.2Very low211 Ų211138.9 Ų138.993%0.92579%0.789SS**  -162.7163.4126.7-104.3-65.8000111.8
39I32Very low35.7Very low158 Ų158138.9 Ų138.981%0.8179%0.788SS**  trans-114.5130.4-168.8-60.2165000110.7
40K32.9Very low36.2Very low185 Ų185133.2 Ų133.280%0.80478%0.781SS**  174.8133.8122-121.5172.8176.5174.60116.6
41T37.7Very low36.5Very low123 Ų123132.1 Ų132.176%0.75578%0.78SS**  trans48.7110.4145.447.80000122.5
42E37.6Very low37Very low181 Ų181128.8 Ų128.885%0.84677%0.772SS**  trans-29.1177.4133.2-85.1-157.8134.500119.3
43P39.7Very low37.5Very low98 Ų98128 Ų12864%0.63677%0.772SS**  cis-140.3177.3-28.736.4-19.5000114
44S40.6Very low38.1Very low119 Ų119128.7 Ų128.783%0.83277%0.767SS**  trans172.5147.1133.4-78.40000113.8
45S37.8Very low38.7Very low117 Ų117129.3 Ų129.382%0.81876%0.756SS**  trans-122.2-165.4174.1-47.70000109
46P43.7Very low39.5Very low118 Ų118132.4 Ų132.477%0.76676%0.759SS**  cis-139.9178.5-10.142.3-23.9000116.8
47A37.8Very low40.3Very low94 Ų94133.5 Ų133.578%0.77777%0.767SS**  trans59.4119.2140.100000125.1
48S42.2Very low41Very low115 Ų115135.2 Ų135.280%0.80478%0.776SS**  trans-163.2126.7135.326.90000107.8
49L41.9Very low41.2Very low154 Ų154129 Ų12981%0.80677%0.771SS**  90124.555.4-86.4171.4000114.3
50T43.7Very low41.6Very low124 Ų124125 Ų12576%0.76177%0.768SS**  trans65152.6166.754.70000117.2
51D40.3Very low42.1Very low141 Ų141121.4 Ų121.475%0.75477%0.767SS**  cis-146.1-172.74.8-139.4-39.4000114.2
52S40.5Very low42.6Very low96 Ų96120.3 Ų120.367%0.67176%0.764SS**  trans-95.2-170.6-155.4-47.40000116
53V44.1Very low42.9Very low121 Ų121118.8 Ų118.873%0.73376%0.762SS**  trans108.2111.6148.7-171.60000119.2
54N43.5Very low43.1Very low122 Ų122118.8 Ų118.865%0.65277%0.77SS**  trans70.4155.1149.3-70.9-6.8000120.7
55H47.8Very low42.9Very low134 Ų134119.1 Ų119.162%0.6277%0.772SS**  cis-168.7176.5-3.4-115.3-18.1000112.6
56H45.7Very low43.2Very low175 Ų175117 Ų11781%0.8177%0.77SS**  trans86150.3155.7-43.5-59.6000121.5
57S49Very low42.8Very low120 Ų120117.1 Ų117.184%0.83977%0.773SS**  trans-105.9173.5-160.8-46.20000115
58P46.6Very low43.2Very low133 Ų133123.1 Ų123.186%0.86478%0.777SS**  trans-102.3175.2-175.540.3-35000115
59G40.8Very low43Very low80 Ų80122.6 Ų122.683%0.82577%0.773SS**  trans177.6138.1164.500000118.4
60G40.3Very low42.8Very low74 Ų74120 Ų12076%0.76377%0.768SS**  trans74.8162.5157.500000119.4
61S43.5Very low42.5Very low110 Ų110119.7 Ų119.777%0.76977%0.766SS**  cis171.4164.9-31.941.70000109.1
62S48.4Very low42.8Very low100 Ų100121 Ų12170%0.69977%0.77SS**  trans72.3149165.1-68.10000117.6
63D43.1Very low42.6Very low149 Ų149124.1 Ų124.180%0.79778%0.779SS**  cis-165.3-179.3-15.4-114.5-47.4000112.8
64A44Very low42.3Very low98 Ų98121.9 Ų121.981%0.8178%0.78SS**  trans94140.6152.200000120.5
65S37.4Very low42.3Very low126 Ų126125.4 Ų125.488%0.88179%0.792SS**  trans-133.6169.6-177.3580000111
66G43.9Very low42Very low74 Ų74126.7 Ų126.776%0.76380%0.799SS**  trans-159.5140.5177.600000113.8
67S35.6Very low41.6Very low119 Ų119125.4 Ų125.483%0.83280%0.798SS**  trans-147141.7-169.2-53.60000113.1
68Y45.7Very low41Very low221 Ų221122.8 Ų122.887%0.86779%0.79SS**  trans-154.6141.8163.162.2-82000108.3
69S37.7Very low40.8Very low103 Ų103124.1 Ų124.172%0.7279%0.789SS**  cis79.3123.333.3-57.40000113.5
70S36.9Very low40.7Very low101 Ų101127.2 Ų127.271%0.70679%0.786SS**  cis-162157.5-2-730000112.6
71T37.7Very low40.9Very low117 Ų117128.8 Ų128.872%0.71879%0.786SS**  trans28.3141.514660.60000123.6
72M46.4Very low40.8Very low167 Ų167129.1 Ų129.182%0.82379%0.785SS**  -168.8163.9116.3-100.3-51.6152.700115.4
73N36.9Very low40.7Very low163 Ų163129.8 Ų129.887%0.87279%0.787SS**  trans-73167.5-166.4-76.3-35.5000118.7
74G37.6Very low40.7Very low73 Ų73129.6 Ų129.675%0.75379%0.786SS**  trans-171.553.3172.700000121.9
75H42.9Very low40.7Very low196 Ų196134.5 Ų134.591%0.90779%0.785SS**  trans66167.8158.8-75.5-56.7000123.1
76Q41.7Very low41.1Very low161 Ų161133.8 Ų133.875%0.75278%0.777SS**  trans-136.8172-153.9-52.9165.3-39.300114.3
77N38.5Very low41.1Very low149 Ų149136 Ų13680%0.79778%0.781SS**  trans105.1142.6144-62.1-32.1000121.5
78G36.1Very low41.7Very low65 Ų65134.7 Ų134.767%0.6778%0.777SS**  trans97.8115.1-179.600000112.5
79L41.8Very low41.8Very low161 Ų161129.5 Ų129.584%0.84377%0.77SS**  cis64.912935.1-48.6179.8000112.4
80D39.4Very low42.1Very low144 Ų144131.5 Ų131.577%0.7777%0.771SS**  cis-148.6-170.818.8-121.9-45.6000115.3
81S42.7Very low42.3Very low107 Ų107134.7 Ų134.775%0.74878%0.78SS**  trans-91.7169.8-162.6-64.20000118.7
82P41.9Very low42.3Very low118 Ų118132.6 Ų132.677%0.76678%0.782SS**  trans-111.2-153.1-177.243.6-32.7000112.9
83P47.5Very low41.8Very low114 Ų114128.6 Ų128.674%0.7478%0.783SS**  -118.7-168.3-51.534.6-16.3000112.3
84L42.5Very low42Very low145 Ų145127.1 Ų127.176%0.75979%0.786SS**  trans169.6179.5150.6-93.2161.9000109
85Y44Very low42.1Very low201 Ų201127.3 Ų127.379%0.78879%0.787SS**  cis-152.8141.30.9-134.6-60000108.1
86P45.1Very low42Very low110 Ų110123.9 Ų123.971%0.71478%0.782SS**  trans-111.7158.8-174.739.2-34.6000117.4
87S44.3Very low41.8Very low122 Ų122122.3 Ų122.385%0.85378%0.784SS**  trans-165.7136.2157.1-78.50000108.9
88A48.4Very low41.7Very low90 Ų90126.1 Ų126.174%0.74479%0.787SS**  cis101.6156.239.300000111.7
89P47.1Very low41.5Very low113 Ų113132.3 Ų132.373%0.73480%0.795SS**  -134.6-151.7-97.133.4-10.5000114
90I45.3Very low41.2Very low144 Ų144131.4 Ų131.474%0.73879%0.79SS**  trans123.2138149.8-65.3162.2000117.3
91L41.1Very low40.8Very low168 Ų168132.7 Ų132.788%0.8879%0.786SS**  trans60.8144.3168.3-74.4160.3000118.7
92G36.7Very low40.5Very low74 Ų74134.4 Ų134.476%0.76379%0.786SS**  cis140.1126.7-8.600000113.3
93G37.1Very low40.2Very low82 Ų82136.3 Ų136.385%0.84579%0.79SS**  trans154.5116.517300000115.5
94S40.3Very low39.7Very low133 Ų133137 Ų13793%0.9380%0.797SS**  trans-87.7159.6-179.1-46.70000113.7
95G39.1Very low39.3Very low76 Ų76135.5 Ų135.578%0.78480%0.798SS**  trans124.8124.4152.100000117.1
96P41.6Very low39Very low125 Ų125130.7 Ų130.781%0.81279%0.794SS**  trans-105.3163.2173.939-32.8000113.2
97V36.4Very low38.6Very low128 Ų128131.4 Ų131.478%0.77680%0.796SS**  trans-175.4133.4138.6135.80000114.4
98R36.7Very low38.5Very low229 Ų229133 Ų13386%0.86479%0.794SS**  trans39.5128152.6-58.9173.7-177.5172.80.5123.5
99K32.4Very low38.1Very low195 Ų195134.7 Ų134.785%0.84879%0.794SS**  trans-6.6142.6140-51.7176.2178.7-177.10118.4
100L34.5Very low37.7Very low142 Ų142137.1 Ų137.174%0.74380%0.796SS**  -152.2-175.7109-133.976.3000111.5
101Y32.4Very low37.3Very low171 Ų171137.3 Ų137.367%0.67180%0.798SS**  trans-124.1161.8-17451.8-94.2000109.6
102D36.9Very low37.1Very low142 Ų142133.7 Ų133.776%0.75979%0.785SS**  trans-177163.1132.3-105.6-42.6000113.2
103D34.9Very low37Very low159 Ų159139.1 Ų139.185%0.8579%0.79SS**  trans-90162.2-173.3-82.8-55000115.1
104C36.4Very low36.9Very low129 Ų129141.8 Ų141.887%0.87279%0.791SS**  trans-161160.4132.4-155.70000112.2
105S33.4Very low36.3Very low113 Ų113143.4 Ų143.479%0.7978%0.781SS**  trans-150.3134.7-172.1-1780000113.9
106S38.7Very low35.8Very low100 Ų100145.8 Ų145.870%0.69978%0.784SS**  trans-168.9104.9169.642.40000110.2
107T37.4Very low35.4Very low125 Ų125149.1 Ų149.177%0.76779%0.789SS**  84.7146.181.855.20000116.4
108I42.1Very low35Very low156 Ų156150.3 Ų150.380%0.878%0.781SS**  trans90.7114.6174.4-54.3170.4000113.3
109V39.9Very low34.7Very low125 Ų125146.9 Ų146.976%0.75878%0.776SS**  cis100.6128.431164.90000112.1
110E37.4Very low34.8Very low163 Ų163145.9 Ų145.976%0.76278%0.779SS**  cis-164.9156.1-17.5178.9165.7-46.500109.4
111D38.8Very low34.7Very low148 Ų148145.3 Ų145.379%0.79178%0.777SS**  trans-147135.8163.7-174.643.5000110.9
112P35.5Very low34.9Very low92 Ų92142.9 Ų142.960%0.59779%0.785SS**  trans-120.294.3-16038.5-24000115.7
113Q35.2Very low35.4Very low188 Ų188143.5 Ų143.588%0.87979%0.785SS**  trans-15131.4167-132.716198.800117.8
114T35.5Very low36.1Very low139 Ų139138.9 Ų138.985%0.85376%0.764SS**  trans-115.150.7-175.6-37.40000113.5
115K27.9Very low37.1Very low166 Ų166139 Ų13972%0.72275%0.75SS**  trans-109.963-166.3-161.2-178.2-176.9174.80114.9Y118K115-Y118 HydrophobicContact CG-CE1 4Å
116C28.4Very low39.3Very low127 Ų127141.4 Ų141.486%0.85874%0.741SS**SBendtrans-164.234.9163.4-123.60000118.1
117E31.7Very low41.9Very low194 Ų194141.5 Ų141.591%0.90773%0.734SS**  trans-143.829.4176-139.3172.6-141.900116.3
118Y29.8Very low44.8Very low154 Ų154135.7 Ų135.760%0.60470%0.698SS**  trans-110.328.7-172.861.5-91.5000116.1K115K115-Y118 HydrophobicContact CG-CE1 4Å
119M28.9Very low47.3Very low157 Ų157133 Ų13377%0.77369%0.685SS**SBendtrans-13217.1-172.6-79.7-69.6148.600117
120L36.1Very low50.1Low174 Ų174127.2 Ų127.291%0.91165%0.649SS**  trans-13458.7179.6-69.2176.2000113.5
121N30.7Very low52.9Low130 Ų130119.8 Ų119.870%0.69562%0.616SS**  trans-140.260-170.7-1240.2000113.8K125N121-K125 WeakPolarHBondContact OD1-CE 3.42Å; N121-K125 PolarHBondContact OD1-NZ 3.34Å
122S37.7Very low55.6Low120 Ų120115 Ų11584%0.83960%0.601SS**  trans-142.621178.457.40000115.2
123M46.4Very low58.5Low154 Ų154111.6 Ų111.676%0.75958%0.578SS**SBendtrans-122130.5177.4-16864.956.500110.1K125M123-K125 PolarHBondContact O-N 3.04Å; M123-K125 VanDerWaalsContact O-N 3.14Å
124P49.5Very low61.3Low62 Ų62107.4 Ų107.440%0.40356%0.56SS.*  trans-64.1116-177.224.3-34000111.8R126 L222P124-R126 PolarHBondContact O-N 3.23Å; P124-R126 VanDerWaalsContact O-N 3.13Å; P124-L222 HydrophobicContact CB-CD1 3.89Å
125K58.9Low64.2Low133 Ų133101.6 Ų101.658%0.57853%0.527SS*.  trans-70.5105-173.4-66.8174.4-175.9169.70110.3N121 M123N121-K125 WeakPolarHBondContact OD1-CE 3.42Å; N121-K125 PolarHBondContact OD1-NZ 3.34Å; M123-K125 PolarHBondContact O-N 3.04Å; M123-K125 VanDerWaalsContact O-N 3.14Å
126R78.9Confident67.3Low162 Ų16296.9 Ų96.961%0.61152%0.515SS*.  trans-68.5142.7177.6-64.1-169.1-177-95-4.1111.1P124 A135P124-R126 PolarHBondContact O-N 3.23Å; P124-R126 VanDerWaalsContact O-N 3.13Å; R126-A135 VanDerWaalsContact O-CB 3.3Å; R126-A135 WeakPolarHBondContact O-CB 3.4Å; R126-A135 PolarHBondContact O-N 2.6Å
127L94.1Very high70.2Confident103 Ų10392.2 Ų92.254%0.53949%0.488SS..BIsolated β-bridgetrans-95.7156.2179.8-59.2-179.7000111.8L129L127-L129 PolarHBondContact O-N 3.3Å
128C97.5Very high73.1Confident2 Ų287.5 Ų87.51%0.01446%0.463CS..  trans-79.4111177.7175.90000110.4V130 C131 G132 D133 A143 C145C128-V130 PolarHBondContact O-N 3.36Å; C128-C131 PolarHBondContact O-N 3.13Å; C128-G132 PolarHBondContact O-N 3.33Å; C128-D133 HydrophobicContact CB-CB 4.49Å; C128-D133 WeakPolarHBondContact CB-O 3.29Å; C128-D133 PolarHBondContact N-O 3.05Å; C128-A143 WeakPolarHBondContact CA-O 3.27Å; C128-C145 HydrophobicContact CB-CB 3.98Å; C128-C145 PolarHBondContact SG-N 2.9Å
129L95.4Very high76.2Confident101 Ų10181.7 Ų81.753%0.52944%0.441SS..THydrogen-bonded Turntrans-59.2-20.3-176.4-58.1179.2000113.8L127 A143 V191L127-L129 PolarHBondContact O-N 3.3Å; L129-A143 HydrophobicContact CG-CB 4.33Å; L129-A143 PolarHBondContact N-O 3.02Å; L129-V191 HydrophobicContact CB-CB 4.16Å; L129-V191 HydrophobicContact CB-CG1 4.22Å; L129-V191 HydrophobicContact CB-CG2 4.25Å
130V97.5Very high79.3Confident2 Ų276.2 Ų76.21%0.01241%0.412CS..THydrogen-bonded Turntrans-78.9-31177.2-176.30000112.9C128 C148 I172 R184 K187 V191 M193C128-V130 PolarHBondContact O-N 3.36Å; V130-C148 HydrophobicContact CB-CB 4.3Å; V130-C148 HydrophobicContact CG1-CB 4.38Å; V130-C148 HydrophobicContact CG2-CB 4.44Å; V130-I172 HydrophobicContact CG1-CG2 4.38Å; V130-I172 WeakPolarHBondContact O-CG2 3.48Å; V130-R184 HydrophobicContact CG1-CG 4.43Å; V130-K187 HydrophobicContact CG1-CG 4.36Å; V130-V191 HydrophobicContact CG2-CG2 3.73Å; V130-M193 HydrophobicContact CG2-CE 4.04Å
131C97.5Very high81.8Confident8 Ų868.8 Ų68.85%0.05438%0.378CS..THydrogen-bonded Turntrans-155.86.4-168.768.70000118C128 D133 I172 T173 K174 R177C128-C131 PolarHBondContact O-N 3.13Å; C131-D133 PolarHBondContact O-N 3.39Å; C131-I172 WeakPolarHBondContact CA-O 3.48Å; C131-I172 HydrophobicContact CB-CG2 4.03Å; C131-T173 CarbonylContact O-C 3.39Å; C131-K174 PolarHBondContact O-N 3.4Å; C131-R177 HydrophobicContact CB-CB 4.38Å; C131-R177 PolarHBondContact SG-NH1 3.3Å
132G94.7Very high84.7Confident48 Ų4863 Ų6350%0.49535%0.347SS..SBendtrans72.70.5178.400000116.3C128C128-G132 PolarHBondContact O-N 3.33Å
133D96.5Very high87.4Confident20 Ų2057.7 Ų57.711%0.10731%0.31CS..SBendtrans-71.6163.1172.3-159.21.2000111.6C128 C131 A135 C145 K174 R177C128-D133 HydrophobicContact CB-CB 4.49Å; C128-D133 WeakPolarHBondContact CB-O 3.29Å; C128-D133 PolarHBondContact N-O 3.05Å; C131-D133 PolarHBondContact O-N 3.39Å; D133-A135 PolarHBondContact O-N 3.02Å; D133-C145 HydrophobicContact CB-CB 4.12Å; D133-K174 HydrophobicContact CB-CB 4.23Å; D133-K174 HydrophobicContact CB-CD 4.06Å; D133-K174 HydrophobicContact CB-CG 4.07Å; D133-K174 VanDerWaalsContact OD1-CD 3.29Å; D133-K174 WeakPolarHBondContact OD1-CD 3.22Å; D133-K174 WeakPolarHBondContact OD1-CE 3.06Å; D133-K174 IonicContact OD1-NZ 2.61Å; D133-K174 PolarHBondContact OD1-NZ 3.32Å; D133-R177 IonicContact OD2-CZ 2.72Å; D133-R177 IonicContact OD2-NH1 2.76Å; D133-R177 PolarHBondContact OD2-NH1 3.11Å; D133-R177 IonicContact OD2-NH2 2.65Å; D133-R177 PolarHBondContact OD2-NH2 3.47Å
134I94.1Very high89.8Confident99 Ų9950.3 Ų50.351%0.50827%0.274SS..BIsolated β-bridgetrans-63.6128.8-179.9-58.5174.5000109.6C145I134-C145 WeakPolarHBondContact O-CB 3.39Å
135A95.1Very high92.1Very high18 Ų1847.6 Ų47.615%0.14926%0.256CS..PPolyproline II helixtrans-78.9133.417700000110.9R126 D133 G137 S144R126-A135 VanDerWaalsContact O-CB 3.3Å; R126-A135 WeakPolarHBondContact O-CB 3.4Å; R126-A135 PolarHBondContact O-N 2.6Å; D133-A135 PolarHBondContact O-N 3.02Å; A135-G137 VanDerWaalsContact C-N 3.28Å; A135-S144 WeakPolarHBondContact CA-O 3.46Å
136S93.2Very high93.9Very high66 Ų6645.6 Ų45.646%0.46225%0.249SC..  trans-84.2-6.3172.752.70000112.6H139 S144 E146S136-H139 PolarHBondContact OG-NE2 2.78Å; S136-S144 PolarHBondContact N-O 3.2Å; S136-S144 VanDerWaalsContact N-O 3.07Å; S136-S144 PolarHBondContact OG-O 2.78Å; S136-E146 WeakPolarHBondContact CB-OE1 3.05Å; S136-E146 PolarHBondContact OG-OE1 2.66Å
137G90.7Very high94.8Very high30 Ų3039.9 Ų39.931%0.30924%0.236SC..EExtended strand (participates in β ladder)trans154-155.9-179.600000111.7A135 S144A135-G137 VanDerWaalsContact C-N 3.28Å; G137-S144 PolarHBondContact O-N 3.47Å
138Y92.7Very high95Very high95 Ų9535 Ų3537%0.37321%0.211SC..EExtended strand (participates in β ladder)trans-102122.6171.4-69.4-85.6000109.9V142 A143 R212Y138-V142 WeakPolarHBondContact CA-O 3.37Å; Y138-A143 HydrophobicContact CD1-CB 4.1Å; Y138-A143 VanDerWaalsContact CD1-N 3.34Å; Y138-A143 HydrophobicContact CE1-CB 3.76Å; Y138-R212 VanDerWaalsContact CG-NH1 3.32Å
139H94.5Very high94.9Very high31 Ų3137.5 Ų37.514%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-127.3133.8177.5-48.5-76.2000108.6S136 G141 V142 S144 E146 K149S136-H139 PolarHBondContact OG-NE2 2.78Å; H139-G141 PolarHBondContact O-N 2.81Å; H139-G141 VanDerWaalsContact O-N 3.14Å; H139-V142 PolarHBondContact N-O 3.08Å; H139-V142 PolarHBondContact O-N 3.06Å; H139-S144 PolarHBondContact CD2-O 2.74Å; H139-S144 PolarHBondContact CD2-OG 3.21Å; H139-E146 IonicContact CE1-OE1 2.7Å; H139-E146 PolarHBondContact CE1-OE1 3Å; H139-E146 IonicContact NE2-OE1 3.49Å; H139-E146 PolarHBondContact NE2-OE1 3.37Å; H139-K149 HydrophobicContact CB-CB 3.97Å; H139-K149 HydrophobicContact CB-CD 4.4Å; H139-K149 HydrophobicContact CB-CG 3.85Å; H139-K149 WeakPolarHBondContact ND1-CD 3.21Å; H139-K149 VanDerWaalsContact ND1-CE 3.28Å; H139-K149 WeakPolarHBondContact ND1-CE 3.44Å
140Y94.4Very high95Very high42 Ų4234.9 Ų34.917%0.16521%0.214CC..THydrogen-bonded Turntrans52.134.9-179.9-47.8-61.2000114K149 F152 K153 M193 L194 G197 V198Y140-K149 HydrophobicContact CE2-CG 4.02Å; Y140-F152 HydrophobicContact CD1-CD1 4.45Å; Y140-F152 HydrophobicContact CD2-CB 4.42Å; Y140-F152 AromaticContact CD2-CD1 3.58Å; Y140-F152 HydrophobicContact CD2-CD1 3.58Å; Y140-F152 HydrophobicContact CD2-CE1 4.31Å; Y140-F152 HydrophobicContact CD2-CG 4.37Å; Y140-F152 HydrophobicContact CE2-CD1 4.18Å; Y140-F152 AromaticContact CG-CD1 3.74Å; Y140-F152 HydrophobicContact CG-CD1 3.74Å; Y140-F152 HydrophobicContact CG-CE1 4Å; Y140-K153 HydrophobicContact CE2-CB 4.31Å; Y140-M193 CarbonylContact O-C 3.54Å; Y140-M193 VanDerWaalsContact O-CA 3.3Å; Y140-M193 WeakPolarHBondContact O-CA 3.49Å; Y140-L194 PolarHBondContact O-N 2.98Å; Y140-G197 WeakPolarHBondContact CD1-O 3.37Å; Y140-G197 VanDerWaalsContact CE1-O 3.27Å; Y140-G197 WeakPolarHBondContact CE1-O 3.17Å; Y140-V198 HydrophobicContact CD1-CG2 3.74Å; Y140-V198 HydrophobicContact CE1-CB 4.38Å; Y140-V198 HydrophobicContact CE1-CG2 3.56Å; Y140-V198 HydrophobicContact CG-CG2 4.35Å
141G88.4Confident95Very high18 Ų1835.1 Ų35.119%0.18622%0.215CC..THydrogen-bonded Turntrans103.8-33.5-177.300000114.7H139 R212H139-G141 PolarHBondContact O-N 2.81Å; H139-G141 VanDerWaalsContact O-N 3.14Å; G141-R212 WeakPolarHBondContact O-CD 3.06Å
142V91.2Very high95Very high9 Ų934.8 Ų34.86%0.05521%0.213CC..EExtended strand (participates in β ladder)trans-120.2150.4-159.5-41.80000113.8Y138 H139 S144 V191 G192 M193Y138-V142 WeakPolarHBondContact CA-O 3.37Å; H139-V142 PolarHBondContact N-O 3.08Å; H139-V142 PolarHBondContact O-N 3.06Å; V142-S144 PolarHBondContact O-N 2.98Å; V142-S144 VanDerWaalsContact O-N 3.15Å; V142-S144 PolarHBondContact O-OG 3.32Å; V142-V191 HydrophobicContact CG1-CG2 4.37Å; V142-V191 WeakPolarHBondContact CG1-O 3.43Å; V142-V191 HydrophobicContact CG2-CG2 4.24Å; V142-G192 VanDerWaalsContact CG1-O 3.24Å; V142-G192 WeakPolarHBondContact CG1-O 3.21Å; V142-M193 HydrophobicContact CB-CG 4.41Å; V142-M193 HydrophobicContact CG1-CG 3.98Å; V142-M193 HydrophobicContact CG2-CE 3.37Å; V142-M193 HydrophobicContact CG2-CG 3.49Å; V142-M193 VanDerWaalsContact CG2-CG 3.49Å; V142-M193 HydrophobicContact CG2-SD 4.27Å
143A94.1Very high95.1Very high8 Ų836.7 Ų36.77%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-64.2114.4172.900000109.3C128 L129 Y138C128-A143 WeakPolarHBondContact CA-O 3.27Å; L129-A143 HydrophobicContact CG-CB 4.33Å; L129-A143 PolarHBondContact N-O 3.02Å; Y138-A143 HydrophobicContact CD1-CB 4.1Å; Y138-A143 VanDerWaalsContact CD1-N 3.34Å; Y138-A143 HydrophobicContact CE1-CB 3.76Å
144S96Very high95Very high0 Ų043.7 Ų43.70%023%0.233CC..EExtended strand (participates in β ladder)trans-152.3155.3-170.449.10000114.2A135 S136 G137 H139 V142 M193A135-S144 WeakPolarHBondContact CA-O 3.46Å; S136-S144 PolarHBondContact N-O 3.2Å; S136-S144 VanDerWaalsContact N-O 3.07Å; S136-S144 PolarHBondContact OG-O 2.78Å; G137-S144 PolarHBondContact O-N 3.47Å; H139-S144 PolarHBondContact CD2-O 2.74Å; H139-S144 PolarHBondContact CD2-OG 3.21Å; V142-S144 PolarHBondContact O-N 2.98Å; V142-S144 VanDerWaalsContact O-N 3.15Å; V142-S144 PolarHBondContact O-OG 3.32Å; S144-M193 WeakPolarHBondContact OG-CE 3.49Å
145C97.8Very high95.2Very high4 Ų439.1 Ų39.13%0.02721%0.209CC..  trans-85.3155.1175.5680000111.2C128 D133 I134 A147 C148 K149 R177C128-C145 HydrophobicContact CB-CB 3.98Å; C128-C145 PolarHBondContact SG-N 2.9Å; D133-C145 HydrophobicContact CB-CB 4.12Å; I134-C145 WeakPolarHBondContact O-CB 3.39Å; C145-A147 PolarHBondContact O-N 3.42Å; C145-A147 VanDerWaalsContact O-N 3.09Å; C145-C148 PolarHBondContact O-N 2.89Å; C145-C148 VanDerWaalsContact SG-SG 3.63Å; C145-K149 PolarHBondContact O-N 3.45Å; C145-K149 VanDerWaalsContact O-N 3.12Å; C145-R177 PolarHBondContact SG-NH1 3.13Å
146E96.9Very high95.1Very high91 Ų9139.7 Ų39.743%0.42521%0.209SC..Hα-helixtrans-49.5-39.9177.6-68.8-58.7118.600113.2S136 H139 C148 K149 A150S136-E146 WeakPolarHBondContact CB-OE1 3.05Å; S136-E146 PolarHBondContact OG-OE1 2.66Å; H139-E146 IonicContact CE1-OE1 2.7Å; H139-E146 PolarHBondContact CE1-OE1 3Å; H139-E146 IonicContact NE2-OE1 3.49Å; H139-E146 PolarHBondContact NE2-OE1 3.37Å; E146-C148 VanDerWaalsContact C-N 3.28Å; E146-C148 PolarHBondContact O-N 3.4Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 WeakPolarHBondContact OE1-CD 3.49Å; E146-K149 IonicContact OE1-NZ 3.58Å; E146-K149 PolarHBondContact OE1-NZ 3.18Å; E146-K149 VanDerWaalsContact OE2-CD 3.26Å; E146-K149 WeakPolarHBondContact OE2-CD 3.44Å; E146-K149 WeakPolarHBondContact OE2-CE 3.4Å; E146-K149 IonicContact OE2-NZ 3.44Å; E146-K149 PolarHBondContact OE2-NZ 2.82Å; E146-A150 VanDerWaalsContact O-CB 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.38Å; E146-A150 PolarHBondContact O-N 3.44Å
147A97.5Very high95Very high42 Ų4239 Ų3935%0.34720%0.199SC..Hα-helixtrans-64.2-26179.300000114.4C145 F151 R184C145-A147 PolarHBondContact O-N 3.42Å; C145-A147 VanDerWaalsContact O-N 3.09Å; A147-F151 WeakPolarHBondContact O-CB 3.48Å; A147-F151 PolarHBondContact O-N 2.91Å; A147-R184 VanDerWaalsContact C-NH2 3.32Å; A147-R184 PolarHBondContact O-NH2 2.7Å
148C98.3Very high95.1Very high0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-91.4-39.7176.9-67.80000111.7V130 C145 E146 A150 F151 F152 R184V130-C148 HydrophobicContact CB-CB 4.3Å; V130-C148 HydrophobicContact CG1-CB 4.38Å; V130-C148 HydrophobicContact CG2-CB 4.44Å; C145-C148 PolarHBondContact O-N 2.89Å; C145-C148 VanDerWaalsContact SG-SG 3.63Å; E146-C148 VanDerWaalsContact C-N 3.28Å; E146-C148 PolarHBondContact O-N 3.4Å; C148-A150 PolarHBondContact O-N 3.33Å; C148-F151 WeakPolarHBondContact O-CB 3.43Å; C148-F151 PolarHBondContact O-N 2.99Å; C148-F151 VanDerWaalsContact O-N 3.15Å; C148-F152 WeakPolarHBondContact O-CB 3.35Å; C148-F152 PolarHBondContact O-N 2.93Å; C148-R184 PolarHBondContact SG-NH2 3.16Å
149K97.2Very high95Very high55 Ų5542 Ų4224%0.23923%0.225CC..Hα-helixtrans-49.9-53.3166.3170.2-158.2-167.7-179.30112H139 Y140 C145 E146 F151 K153H139-K149 HydrophobicContact CB-CB 3.97Å; H139-K149 HydrophobicContact CB-CD 4.4Å; H139-K149 HydrophobicContact CB-CG 3.85Å; H139-K149 WeakPolarHBondContact ND1-CD 3.21Å; H139-K149 VanDerWaalsContact ND1-CE 3.28Å; H139-K149 WeakPolarHBondContact ND1-CE 3.44Å; Y140-K149 HydrophobicContact CE2-CG 4.02Å; C145-K149 PolarHBondContact O-N 3.45Å; C145-K149 VanDerWaalsContact O-N 3.12Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 WeakPolarHBondContact OE1-CD 3.49Å; E146-K149 IonicContact OE1-NZ 3.58Å; E146-K149 PolarHBondContact OE1-NZ 3.18Å; E146-K149 VanDerWaalsContact OE2-CD 3.26Å; E146-K149 WeakPolarHBondContact OE2-CD 3.44Å; E146-K149 WeakPolarHBondContact OE2-CE 3.4Å; E146-K149 IonicContact OE2-NZ 3.44Å; E146-K149 PolarHBondContact OE2-NZ 2.82Å; K149-F151 VanDerWaalsContact C-N 3.28Å; K149-F151 PolarHBondContact O-N 3.34Å; K149-K153 WeakPolarHBondContact O-CB 3.14Å; K149-K153 PolarHBondContact O-N 3.02Å
150A96.7Very high95.1Very high46 Ų4643.9 Ų43.938%0.3824%0.236SC..Hα-helixtrans-74.5-13.7-179.900000114.3E146 C148 R154E146-A150 VanDerWaalsContact O-CB 3.3Å; E146-A150 WeakPolarHBondContact O-CB 3.38Å; E146-A150 PolarHBondContact O-N 3.44Å; C148-A150 PolarHBondContact O-N 3.33Å; A150-R154 WeakPolarHBondContact O-CG 3.38Å; A150-R154 PolarHBondContact O-NE 2.97Å
151F98.3Very high95.1Very high8 Ų850.2 Ų50.24%0.03527%0.267CS..Hα-helixtrans-79.1-58.9168.5170.6-107.6000109.6A147 C148 K149 K153 R154 T155 Y162 Q181 R184 F185A147-F151 WeakPolarHBondContact O-CB 3.48Å; A147-F151 PolarHBondContact O-N 2.91Å; C148-F151 WeakPolarHBondContact O-CB 3.43Å; C148-F151 PolarHBondContact O-N 2.99Å; C148-F151 VanDerWaalsContact O-N 3.15Å; K149-F151 VanDerWaalsContact C-N 3.28Å; K149-F151 PolarHBondContact O-N 3.34Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.22Å; F151-R154 PolarHBondContact O-N 3.22Å; F151-T155 PolarHBondContact O-N 3.04Å; F151-T155 PolarHBondContact O-OG1 3.05Å; F151-Y162 AromaticContact CE2-CE2 3.86Å; F151-Y162 HydrophobicContact CE2-CE2 3.86Å; F151-Y162 HydrophobicContact CZ-CD2 4.42Å; F151-Y162 AromaticContact CZ-CE2 3.67Å; F151-Y162 HydrophobicContact CZ-CE2 3.67Å; F151-Q181 HydrophobicContact CE2-CB 4.31Å; F151-Q181 HydrophobicContact CZ-CB 4.38Å; F151-Q181 WeakPolarHBondContact CZ-O 3.38Å; F151-R184 HydrophobicContact CD1-CG 3.96Å; F151-R184 HydrophobicContact CE1-CB 3.93Å; F151-R184 HydrophobicContact CE1-CG 3.6Å; F151-R184 HydrophobicContact CZ-CB 4.13Å; F151-R184 HydrophobicContact CZ-CG 4.19Å; F151-F185 HydrophobicContact CE1-CB 3.93Å; F151-F185 HydrophobicContact CZ-CB 4.02Å
152F97.5Very high95.5Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-53.7-46.2179.9-170.8-99.6000112.7Y140 C148 R154 T155 I156 F185 C188 L189 M193 L194 K195 V198Y140-F152 HydrophobicContact CD1-CD1 4.45Å; Y140-F152 HydrophobicContact CD2-CB 4.42Å; Y140-F152 AromaticContact CD2-CD1 3.58Å; Y140-F152 HydrophobicContact CD2-CD1 3.58Å; Y140-F152 HydrophobicContact CD2-CE1 4.31Å; Y140-F152 HydrophobicContact CD2-CG 4.37Å; Y140-F152 HydrophobicContact CE2-CD1 4.18Å; Y140-F152 AromaticContact CG-CD1 3.74Å; Y140-F152 HydrophobicContact CG-CD1 3.74Å; Y140-F152 HydrophobicContact CG-CE1 4Å; C148-F152 WeakPolarHBondContact O-CB 3.35Å; C148-F152 PolarHBondContact O-N 2.93Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3.12Å; F152-T155 PolarHBondContact O-N 3.4Å; F152-I156 HydrophobicContact CD1-CG1 4.27Å; F152-I156 HydrophobicContact CE1-CG1 3.95Å; F152-I156 HydrophobicContact CE2-CD1 4.47Å; F152-I156 HydrophobicContact CE2-CG1 4.39Å; F152-I156 HydrophobicContact CZ-CD1 4.25Å; F152-I156 HydrophobicContact CZ-CG1 4.02Å; F152-I156 WeakPolarHBondContact O-CG1 3.48Å; F152-I156 PolarHBondContact O-N 3.19Å; F152-F185 HydrophobicContact CD2-CD2 4.03Å; F152-F185 AromaticContact CD2-CE2 3.74Å; F152-F185 HydrophobicContact CD2-CE2 3.74Å; F152-F185 HydrophobicContact CE2-CD2 4.33Å; F152-F185 AromaticContact CE2-CE2 3.7Å; F152-F185 HydrophobicContact CE2-CE2 3.7Å; F152-C188 HydrophobicContact CD2-CB 3.69Å; F152-C188 HydrophobicContact CE2-CB 4.17Å; F152-L189 HydrophobicContact CE2-CD2 3.88Å; F152-L189 HydrophobicContact CZ-CD2 4.29Å; F152-M193 HydrophobicContact CB-SD 3.74Å; F152-M193 HydrophobicContact CD1-CB 4.34Å; F152-M193 HydrophobicContact CD1-SD 4.2Å; F152-M193 HydrophobicContact CD2-CB 3.88Å; F152-M193 HydrophobicContact CD2-CG 4.46Å; F152-M193 HydrophobicContact CD2-SD 3.76Å; F152-M193 HydrophobicContact CE1-CB 4.02Å; F152-M193 HydrophobicContact CE2-CB 3.52Å; F152-M193 HydrophobicContact CE2-SD 4.41Å; F152-M193 HydrophobicContact CG-CB 4.27Å; F152-M193 HydrophobicContact CG-SD 3.63Å; F152-M193 HydrophobicContact CZ-CB 3.6Å; F152-M193 VanDerWaalsContact CZ-O 3.31Å; F152-M193 WeakPolarHBondContact CZ-O 3.42Å; F152-L194 WeakPolarHBondContact CE1-O 3.39Å; F152-K195 HydrophobicContact CZ-CG 4.31Å; F152-V198 HydrophobicContact CD1-CG2 3.82Å; F152-V198 HydrophobicContact CE1-CG2 3.74Å
153K95.3Very high95.7Very high89 Ų8957.2 Ų57.239%0.38731%0.305SS..Hα-helixtrans-55.1-44.4175.8-176.3175.9174.1176.40112.6Y140 K149 F151 Q157 V198Y140-K153 HydrophobicContact CE2-CB 4.31Å; K149-K153 WeakPolarHBondContact O-CB 3.14Å; K149-K153 PolarHBondContact O-N 3.02Å; F151-K153 VanDerWaalsContact C-N 3.33Å; F151-K153 PolarHBondContact O-N 3.22Å; K153-Q157 HydrophobicContact CG-CG 4.25Å; K153-Q157 VanDerWaalsContact O-CB 3.29Å; K153-Q157 WeakPolarHBondContact O-CB 3.34Å; K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.72Å; K153-V198 HydrophobicContact CG-CG1 4.22Å
154R95.9Very high95.8Very high167 Ų16757.9 Ų57.963%0.6331%0.309SS*.Hα-helixtrans-73-36.8-177.5-75.5-173.9-65155.33.9112.3A150 F151 F152 G158A150-R154 WeakPolarHBondContact O-CG 3.38Å; A150-R154 PolarHBondContact O-NE 2.97Å; F151-R154 PolarHBondContact O-N 3.22Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3.12Å; R154-G158 PolarHBondContact O-N 3.47Å
155T96.5Very high95.7Very high2 Ų263.7 Ų63.71%0.01235%0.347CS..Hα-helixtrans-62.1-47.5175-50.50000111F151 F152 N159 I160 Y162 F185F151-T155 PolarHBondContact O-N 3.04Å; F151-T155 PolarHBondContact O-OG1 3.05Å; F152-T155 PolarHBondContact O-N 3.4Å; T155-N159 PolarHBondContact O-N 3.32Å; T155-I160 HydrophobicContact CG2-CB 4.29Å; T155-I160 VanDerWaalsContact CG2-O 3.25Å; T155-I160 WeakPolarHBondContact CG2-O 3.33Å; T155-I160 PolarHBondContact O-N 2.78Å; T155-Y162 HydrophobicContact CG2-CD2 4.19Å; T155-Y162 HydrophobicContact CG2-CE2 3.46Å; T155-Y162 VanDerWaalsContact CG2-CE2 3.46Å; T155-Y162 WeakPolarHBondContact OG1-CE2 3.39Å; T155-Y162 PolarHBondContact OG1-OH 2.77Å; T155-Y162 VanDerWaalsContact OG1-OH 3.09Å; T155-F185 HydrophobicContact CG2-CD1 4.12Å; T155-F185 HydrophobicContact CG2-CD2 3.63Å; T155-F185 HydrophobicContact CG2-CE1 4.07Å; T155-F185 HydrophobicContact CG2-CE2 3.59Å; T155-F185 HydrophobicContact CG2-CG 3.9Å; T155-F185 HydrophobicContact CG2-CZ 3.81Å
156I94.4Very high95.4Very high30 Ų3066.1 Ų66.115%0.15437%0.368CS..Hα-helixtrans-70-48.7178.8-56.5-62.1000112F152 G158 N159 F185 K195 V198F152-I156 HydrophobicContact CD1-CG1 4.27Å; F152-I156 HydrophobicContact CE1-CG1 3.95Å; F152-I156 HydrophobicContact CE2-CD1 4.47Å; F152-I156 HydrophobicContact CE2-CG1 4.39Å; F152-I156 HydrophobicContact CZ-CD1 4.25Å; F152-I156 HydrophobicContact CZ-CG1 4.02Å; F152-I156 WeakPolarHBondContact O-CG1 3.48Å; F152-I156 PolarHBondContact O-N 3.19Å; I156-G158 PolarHBondContact O-N 2.73Å; I156-N159 PolarHBondContact O-N 2.99Å; I156-F185 HydrophobicContact CD1-CE2 3.88Å; I156-F185 HydrophobicContact CD1-CZ 3.68Å; I156-F185 HydrophobicContact CG1-CE2 4.43Å; I156-K195 HydrophobicContact CD1-CB 4.23Å; I156-K195 HydrophobicContact CD1-CD 4.23Å; I156-K195 HydrophobicContact CD1-CG 3.86Å; I156-V198 HydrophobicContact CB-CB 4.09Å; I156-V198 HydrophobicContact CB-CG1 4.07Å; I156-V198 HydrophobicContact CB-CG2 4.05Å; I156-V198 HydrophobicContact CG1-CG2 4.11Å; I156-V198 HydrophobicContact CG2-CB 3.8Å; I156-V198 HydrophobicContact CG2-CG1 3.98Å; I156-V198 HydrophobicContact CG2-CG2 4.23Å
157Q91.7Very high95.3Very high53 Ų5366.6 Ų66.625%0.24838%0.377CS..Hα-helixtrans-69.7-16-179.1-70.7-166-37.200114.6K153 V198 R199K153-Q157 HydrophobicContact CG-CG 4.25Å; K153-Q157 VanDerWaalsContact O-CB 3.29Å; K153-Q157 WeakPolarHBondContact O-CB 3.34Å; K153-Q157 WeakPolarHBondContact O-CG 3.4Å; K153-Q157 PolarHBondContact O-N 2.72Å; Q157-V198 HydrophobicContact CG-CG1 3.52Å; Q157-R199 PolarHBondContact NE2-O 3.08Å
158G91.9Very high95Very high48 Ų4868.6 Ų68.650%0.49538%0.382SS..THydrogen-bonded Turntrans-102.32.1174.400000114.1R154 I156 I160R154-G158 PolarHBondContact O-N 3.47Å; I156-G158 PolarHBondContact O-N 2.73Å; G158-I160 WeakPolarHBondContact O-CG1 3.33Å; G158-I160 PolarHBondContact O-N 3.21Å
159N91.4Very high94.8Very high138 Ų13876 Ų7674%0.73842%0.416SS*.THydrogen-bonded Turntrans43.248.1-169.5-161.564.9000113T155 I156T155-N159 PolarHBondContact O-N 3.32Å; I156-N159 PolarHBondContact O-N 2.99Å
160I95.4Very high94.7Very high72 Ų7275.4 Ų75.437%0.36942%0.419SS..  trans-89.7118-168.9-45.3178.6000110.3T155 G158 Y162T155-I160 HydrophobicContact CG2-CB 4.29Å; T155-I160 VanDerWaalsContact CG2-O 3.25Å; T155-I160 WeakPolarHBondContact CG2-O 3.33Å; T155-I160 PolarHBondContact O-N 2.78Å; G158-I160 WeakPolarHBondContact O-CG1 3.33Å; G158-I160 PolarHBondContact O-N 3.21Å; I160-Y162 HydrophobicContact CB-CE1 4.26Å; I160-Y162 HydrophobicContact CG2-CD1 3.95Å; I160-Y162 HydrophobicContact CG2-CE1 3.38Å
161E94.3Very high94.7Very high174 Ų17478.2 Ų78.281%0.81342%0.424SS*.  trans-87.5148.8169.7-63.7-178.6-179.500110.8
162Y96.5Very high94.6Very high57 Ų5779 Ų7922%0.22443%0.428CS..  trans-137.8124.5-177.5-59.7-53.5000110.8F151 T155 I160 Q181 A182 F185F151-Y162 AromaticContact CE2-CE2 3.86Å; F151-Y162 HydrophobicContact CE2-CE2 3.86Å; F151-Y162 HydrophobicContact CZ-CD2 4.42Å; F151-Y162 AromaticContact CZ-CE2 3.67Å; F151-Y162 HydrophobicContact CZ-CE2 3.67Å; T155-Y162 HydrophobicContact CG2-CD2 4.19Å; T155-Y162 HydrophobicContact CG2-CE2 3.46Å; T155-Y162 VanDerWaalsContact CG2-CE2 3.46Å; T155-Y162 WeakPolarHBondContact OG1-CE2 3.39Å; T155-Y162 PolarHBondContact OG1-OH 2.77Å; T155-Y162 VanDerWaalsContact OG1-OH 3.09Å; I160-Y162 HydrophobicContact CB-CE1 4.26Å; I160-Y162 HydrophobicContact CG2-CD1 3.95Å; I160-Y162 HydrophobicContact CG2-CE1 3.38Å; Y162-Q181 HydrophobicContact CD1-CB 3.85Å; Y162-Q181 HydrophobicContact CD2-CB 3.99Å; Y162-Q181 HydrophobicContact CE1-CB 3.96Å; Y162-Q181 HydrophobicContact CE2-CB 4.1Å; Y162-Q181 HydrophobicContact CG-CB 3.88Å; Y162-A182 VanDerWaalsContact O-CB 3.28Å; Y162-A182 WeakPolarHBondContact O-CB 3.17Å; Y162-F185 HydrophobicContact CD2-CB 3.98Å; Y162-F185 HydrophobicContact CD2-CG 4.46Å; Y162-F185 HydrophobicContact CE2-CB 4.2Å
163S95.7Very high94.5Very high117 Ų11780.7 Ų80.782%0.81844%0.439SS*.  trans-89148166.9-52.10000111.1
164C97.1Very high94.6Very high23 Ų2382 Ų8216%0.15544%0.444CS..  trans-85.5134.9170.2-169.60000110.2A166 N168 C170 A182 C183C164-A166 PolarHBondContact O-N 2.96Å; C164-A166 VanDerWaalsContact O-N 3.17Å; C164-A166 PolarHBondContact SG-N 3.35Å; C164-A166 PolarHBondContact SG-O 3.38Å; C164-N168 HydrophobicContact CB-CB 4.43Å; C164-N168 WeakPolarHBondContact CB-OD1 3.39Å; C164-C170 VanDerWaalsContact SG-SG 3.61Å; C164-A182 HydrophobicContact CB-CB 4.11Å; C164-C183 PolarHBondContact SG-SG 3.47Å
165P94.2Very high94.6Very high121 Ų12185.2 Ų85.279%0.78646%0.456SS*.SBendtrans-79.820.4171.435.7-37.2000112.9
166A91.7Very high94.5Very high56 Ų5691.9 Ų91.946%0.46348%0.481SS..SBendtrans-158.9-165.4-174.100000109.3C164 N168C164-A166 PolarHBondContact O-N 2.96Å; C164-A166 VanDerWaalsContact O-N 3.17Å; C164-A166 PolarHBondContact SG-N 3.35Å; C164-A166 PolarHBondContact SG-O 3.38Å; A166-N168 PolarHBondContact O-N 2.86Å
167T93.2Very high94.6Very high101 Ų10192.2 Ų92.262%0.6248%0.481SS*.SBendtrans-68.912.9-171.661.30000116.8E169T167-E169 VanDerWaalsContact CB-OE2 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.42Å; T167-E169 PolarHBondContact O-N 3.05Å; T167-E169 PolarHBondContact OG1-OE2 2.97Å
168N91.9Very high94.8Very high84 Ų8498.5 Ų98.545%0.44951%0.507SS..SBendtrans65.15.3-168.2-62.5-70.1000116.2C164 A166 C183 M186C164-N168 HydrophobicContact CB-CB 4.43Å; C164-N168 WeakPolarHBondContact CB-OD1 3.39Å; A166-N168 PolarHBondContact O-N 2.86Å; N168-C183 PolarHBondContact O-SG 2.99Å; N168-M186 HydrophobicContact CB-CE 4.22Å; N168-M186 WeakPolarHBondContact O-CE 3.44Å
169E93.8Very high95Very high156 Ų156100.8 Ų100.873%0.72952%0.516SS*.  trans-100.411.7-173.6-62.8167.7121.900114.8T167 E171T167-E169 VanDerWaalsContact CB-OE2 3.29Å; T167-E169 WeakPolarHBondContact CB-OE2 3.42Å; T167-E169 PolarHBondContact O-N 3.05Å; T167-E169 PolarHBondContact OG1-OE2 2.97Å; E169-E171 PolarHBondContact O-N 3.29Å
170C96.2Very high95.3Very high42 Ų4294.5 Ų94.528%0.28448%0.482SS..  trans-58.3122.9-171.7-51.70000113.9C164 I172 C180 C183C164-C170 VanDerWaalsContact SG-SG 3.61Å; C170-I172 VanDerWaalsContact O-CD1 3.26Å; C170-I172 WeakPolarHBondContact O-CD1 3.41Å; C170-I172 WeakPolarHBondContact O-CG1 3.4Å; C170-I172 PolarHBondContact O-N 3.23Å; C170-C180 HydrophobicContact CB-CB 3.87Å; C170-C183 HydrophobicContact CB-CB 3.85Å; C170-C183 VanDerWaalsContact SG-SG 3.64Å
171E94.9Very high95.4Very high104 Ų10496 Ų9649%0.48649%0.488SS..  trans-63.9125.4179.7-174.9-128.2-150.300113E169 T173 R176E169-E171 PolarHBondContact O-N 3.29Å; E171-T173 HydrophobicContact CG-CG2 4.15Å; E171-T173 VanDerWaalsContact OE1-CG2 3.27Å; E171-T173 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T173 VanDerWaalsContact OE2-CG2 3.32Å; E171-T173 WeakPolarHBondContact OE2-CG2 3.5Å; E171-R176 IonicContact OE1-NH2 2.72Å; E171-R176 PolarHBondContact OE1-NH2 2.65Å; E171-R176 IonicContact OE2-CZ 2.63Å; E171-R176 IonicContact OE2-NE 3.62Å; E171-R176 PolarHBondContact OE2-NE 3.42Å; E171-R176 IonicContact OE2-NH2 2.68Å; E171-R176 PolarHBondContact OE2-NH2 3.04Å
172I96.8Very high95.6Very high24 Ų2488.1 Ų88.112%0.12345%0.453CS..  trans-102.9100.8-174.4-50.4-57.1000111V130 C131 C170 R177 C183 R184 K187V130-I172 HydrophobicContact CG1-CG2 4.38Å; V130-I172 WeakPolarHBondContact O-CG2 3.48Å; C131-I172 WeakPolarHBondContact CA-O 3.48Å; C131-I172 HydrophobicContact CB-CG2 4.03Å; C170-I172 VanDerWaalsContact O-CD1 3.26Å; C170-I172 WeakPolarHBondContact O-CD1 3.41Å; C170-I172 WeakPolarHBondContact O-CG1 3.4Å; C170-I172 PolarHBondContact O-N 3.23Å; I172-R177 HydrophobicContact CG2-CB 3.98Å; I172-C183 HydrophobicContact CD1-CB 4.01Å; I172-R184 HydrophobicContact CD1-CB 3.97Å; I172-R184 HydrophobicContact CG2-CG 4.09Å; I172-K187 HydrophobicContact CG1-CB 4.18Å; I172-K187 HydrophobicContact CG1-CG 4.44Å
173T96.4Very high95.6Very high37 Ų3785.7 Ų85.723%0.22744%0.444CS..  trans-120.4165.8176.259.30000112.2C131 E171 R175 R176 R177C131-T173 CarbonylContact O-C 3.39Å; E171-T173 HydrophobicContact CG-CG2 4.15Å; E171-T173 VanDerWaalsContact OE1-CG2 3.27Å; E171-T173 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T173 VanDerWaalsContact OE2-CG2 3.32Å; E171-T173 WeakPolarHBondContact OE2-CG2 3.5Å; T173-R175 PolarHBondContact O-N 3.46Å; T173-R176 PolarHBondContact O-N 2.91Å; T173-R176 VanDerWaalsContact O-N 3.11Å; T173-R176 PolarHBondContact OG1-N 3.09Å; T173-R176 VanDerWaalsContact OG1-N 3.12Å; T173-R177 WeakPolarHBondContact O-CB 3.36Å; T173-R177 WeakPolarHBondContact O-CG 3.44Å; T173-R177 PolarHBondContact O-N 3.38Å
174K96.2Very high95.8Very high115 Ų11581.1 Ų81.150%0.541%0.409SS..THydrogen-bonded Turntrans-47.3-36.1174-178.3174.4-177.7155.70112.9C131 D133 R177C131-K174 PolarHBondContact O-N 3.4Å; D133-K174 HydrophobicContact CB-CB 4.23Å; D133-K174 HydrophobicContact CB-CD 4.06Å; D133-K174 HydrophobicContact CB-CG 4.07Å; D133-K174 VanDerWaalsContact OD1-CD 3.29Å; D133-K174 WeakPolarHBondContact OD1-CD 3.22Å; D133-K174 WeakPolarHBondContact OD1-CE 3.06Å; D133-K174 IonicContact OD1-NZ 2.61Å; D133-K174 PolarHBondContact OD1-NZ 3.32Å; K174-R177 PolarHBondContact O-NE 2.76Å
175R96.1Very high95.8Very high235 Ų23581.7 Ų81.789%0.88741%0.408SS*.THydrogen-bonded Turntrans-79.5-51.8175.6-68.2-172.7-83.9-150.7-0.9112.5T173T173-R175 PolarHBondContact O-N 3.46Å
176R95.4Very high95.9Very high143 Ų14380.5 Ų80.554%0.5439%0.394SS..THydrogen-bonded Turntrans-87.3-5.9-172.3-70-170.9-86.6-115.64.3116.4E171 T173 K178 S179E171-R176 IonicContact OE1-NH2 2.72Å; E171-R176 PolarHBondContact OE1-NH2 2.65Å; E171-R176 IonicContact OE2-CZ 2.63Å; E171-R176 IonicContact OE2-NE 3.62Å; E171-R176 PolarHBondContact OE2-NE 3.42Å; E171-R176 IonicContact OE2-NH2 2.68Å; E171-R176 PolarHBondContact OE2-NH2 3.04Å; T173-R176 PolarHBondContact O-N 2.91Å; T173-R176 VanDerWaalsContact O-N 3.11Å; T173-R176 PolarHBondContact OG1-N 3.09Å; T173-R176 VanDerWaalsContact OG1-N 3.12Å; R176-K178 PolarHBondContact O-N 2.69Å; R176-S179 WeakPolarHBondContact O-CB 3.33Å; R176-S179 PolarHBondContact O-N 3.11Å; R176-S179 PolarHBondContact O-OG 3.17Å
177R95.6Very high96.2Very high37 Ų3782 Ų8214%0.1439%0.39CS..THydrogen-bonded Turntrans-61.88.4179.769.2179.2178.7-164.9-3.6117.4C131 D133 C145 I172 T173 K174 R184C131-R177 HydrophobicContact CB-CB 4.38Å; C131-R177 PolarHBondContact SG-NH1 3.3Å; D133-R177 IonicContact OD2-CZ 2.72Å; D133-R177 IonicContact OD2-NH1 2.76Å; D133-R177 PolarHBondContact OD2-NH1 3.11Å; D133-R177 IonicContact OD2-NH2 2.65Å; D133-R177 PolarHBondContact OD2-NH2 3.47Å; C145-R177 PolarHBondContact SG-NH1 3.13Å; I172-R177 HydrophobicContact CG2-CB 3.98Å; T173-R177 WeakPolarHBondContact O-CB 3.36Å; T173-R177 WeakPolarHBondContact O-CG 3.44Å; T173-R177 PolarHBondContact O-N 3.38Å; K174-R177 PolarHBondContact O-NE 2.76Å; R177-R184 VanDerWaalsContact O-CD 3.25Å; R177-R184 WeakPolarHBondContact O-CD 3.41Å; R177-R184 PolarHBondContact O-NH1 3.48Å
178K96.1Very high96.4Very high184 Ų18477.2 Ų77.280%0.836%0.36SS*.THydrogen-bonded Turntrans-105.5-20.8168.2-72.2-174.1177.1-177.20112.7R176R176-K178 PolarHBondContact O-N 2.69Å
179S95.9Very high96.6Very high97 Ų9776.2 Ų76.268%0.67835%0.354SS*.THydrogen-bonded Turntrans-73.6-29.9-168.1-54.50000114.3R176R176-S179 WeakPolarHBondContact O-CB 3.33Å; R176-S179 PolarHBondContact O-N 3.11Å; R176-S179 PolarHBondContact O-OG 3.17Å
180C97.5Very high96.7Very high6 Ų677.2 Ų77.24%0.04136%0.356CS..  trans-137.8127.9171.2-174.50000110.2C170 C183 R184C170-C180 HydrophobicContact CB-CB 3.87Å; C180-C183 HydrophobicContact CB-CB 4.26Å; C180-C183 PolarHBondContact SG-N 2.93Å; C180-C183 PolarHBondContact SG-SG 3.32Å; C180-R184 WeakPolarHBondContact O-CB 3.45Å
181Q97.8Very high96.6Very high103 Ų10376.9 Ų76.948%0.48135%0.353SS..Hα-helixtrans-85.7-38.8178.8-58.8-173.719.500111.3F151 Y162 R184 F185F151-Q181 HydrophobicContact CE2-CB 4.31Å; F151-Q181 HydrophobicContact CZ-CB 4.38Å; F151-Q181 WeakPolarHBondContact CZ-O 3.38Å; Y162-Q181 HydrophobicContact CD1-CB 3.85Å; Y162-Q181 HydrophobicContact CD2-CB 3.99Å; Y162-Q181 HydrophobicContact CE1-CB 3.96Å; Y162-Q181 HydrophobicContact CE2-CB 4.1Å; Y162-Q181 HydrophobicContact CG-CB 3.88Å; Q181-R184 PolarHBondContact O-N 3.44Å; Q181-F185 PolarHBondContact O-N 3.32Å
182A97.7Very high96.5Very high9 Ų973.8 Ų73.87%0.07435%0.349CS..Hα-helixtrans-56.8-60.9176.200000112.6Y162 C164 R184 F185 M186Y162-A182 VanDerWaalsContact O-CB 3.28Å; Y162-A182 WeakPolarHBondContact O-CB 3.17Å; C164-A182 HydrophobicContact CB-CB 4.11Å; A182-R184 PolarHBondContact O-N 3.39Å; A182-R184 VanDerWaalsContact O-N 3.14Å; A182-F185 PolarHBondContact O-N 2.78Å; A182-M186 PolarHBondContact O-N 2.72Å
183C98Very high96.5Very high5 Ų572.9 Ų72.93%0.03434%0.344CS..Hα-helixtrans-58.6-31.9179.4-54.70000112.3C164 N168 C170 I172 C180 K187C164-C183 PolarHBondContact SG-SG 3.47Å; N168-C183 PolarHBondContact O-SG 2.99Å; C170-C183 HydrophobicContact CB-CB 3.85Å; C170-C183 VanDerWaalsContact SG-SG 3.64Å; I172-C183 HydrophobicContact CD1-CB 4.01Å; C180-C183 HydrophobicContact CB-CB 4.26Å; C180-C183 PolarHBondContact SG-N 2.93Å; C180-C183 PolarHBondContact SG-SG 3.32Å; C183-K187 WeakPolarHBondContact O-CB 3.3Å; C183-K187 PolarHBondContact O-N 3.13Å
184R98.4Very high96.2Very high22 Ų2273.5 Ų73.58%0.08335%0.346CS..Hα-helixtrans-69.9-41.7175.7-171.4179.9-177.2-164.3-15112.5V130 A147 C148 F151 I172 R177 C180 Q181 A182 K187 C188V130-R184 HydrophobicContact CG1-CG 4.43Å; A147-R184 VanDerWaalsContact C-NH2 3.32Å; A147-R184 PolarHBondContact O-NH2 2.7Å; C148-R184 PolarHBondContact SG-NH2 3.16Å; F151-R184 HydrophobicContact CD1-CG 3.96Å; F151-R184 HydrophobicContact CE1-CB 3.93Å; F151-R184 HydrophobicContact CE1-CG 3.6Å; F151-R184 HydrophobicContact CZ-CB 4.13Å; F151-R184 HydrophobicContact CZ-CG 4.19Å; I172-R184 HydrophobicContact CD1-CB 3.97Å; I172-R184 HydrophobicContact CG2-CG 4.09Å; R177-R184 VanDerWaalsContact O-CD 3.25Å; R177-R184 WeakPolarHBondContact O-CD 3.41Å; R177-R184 PolarHBondContact O-NH1 3.48Å; C180-R184 WeakPolarHBondContact O-CB 3.45Å; Q181-R184 PolarHBondContact O-N 3.44Å; A182-R184 PolarHBondContact O-N 3.39Å; A182-R184 VanDerWaalsContact O-N 3.14Å; R184-K187 PolarHBondContact O-N 2.91Å; R184-C188 PolarHBondContact O-N 3.32Å; R184-C188 PolarHBondContact O-SG 2.86Å; R184-C188 VanDerWaalsContact O-SG 3.33Å
185F98.1Very high95.9Very high35 Ų3573.4 Ų73.415%0.15435%0.345CS..Hα-helixtrans-70.7-42.4177.3-177.2-119.1000111.3F151 F152 T155 I156 Y162 Q181 A182 K187 C188 L189F151-F185 HydrophobicContact CE1-CB 3.93Å; F151-F185 HydrophobicContact CZ-CB 4.02Å; F152-F185 HydrophobicContact CD2-CD2 4.03Å; F152-F185 AromaticContact CD2-CE2 3.74Å; F152-F185 HydrophobicContact CD2-CE2 3.74Å; F152-F185 HydrophobicContact CE2-CD2 4.33Å; F152-F185 AromaticContact CE2-CE2 3.7Å; F152-F185 HydrophobicContact CE2-CE2 3.7Å; T155-F185 HydrophobicContact CG2-CD1 4.12Å; T155-F185 HydrophobicContact CG2-CD2 3.63Å; T155-F185 HydrophobicContact CG2-CE1 4.07Å; T155-F185 HydrophobicContact CG2-CE2 3.59Å; T155-F185 HydrophobicContact CG2-CG 3.9Å; T155-F185 HydrophobicContact CG2-CZ 3.81Å; I156-F185 HydrophobicContact CD1-CE2 3.88Å; I156-F185 HydrophobicContact CD1-CZ 3.68Å; I156-F185 HydrophobicContact CG1-CE2 4.43Å; Y162-F185 HydrophobicContact CD2-CB 3.98Å; Y162-F185 HydrophobicContact CD2-CG 4.46Å; Y162-F185 HydrophobicContact CE2-CB 4.2Å; Q181-F185 PolarHBondContact O-N 3.32Å; A182-F185 PolarHBondContact O-N 2.78Å; F185-K187 VanDerWaalsContact C-N 3.3Å; F185-K187 PolarHBondContact O-N 3.12Å; F185-C188 WeakPolarHBondContact O-CB 3.28Å; F185-C188 PolarHBondContact O-N 3.42Å; F185-C188 VanDerWaalsContact O-N 3.09Å; F185-L189 HydrophobicContact CD1-CD1 4.31Å; F185-L189 HydrophobicContact CE1-CD1 3.9Å; F185-L189 HydrophobicContact CZ-CD1 4.13Å; F185-L189 HydrophobicContact CZ-CG 4.44Å; F185-L189 PolarHBondContact O-N 2.93Å
186M96.8Very high95.4Very high96 Ų9667.7 Ų67.747%0.47333%0.329SS..Hα-helixtrans-57.2-42.4169.9-175.2169.364.500111.5N168 A182 C188 L189 K190N168-M186 HydrophobicContact CB-CE 4.22Å; N168-M186 WeakPolarHBondContact O-CE 3.44Å; A182-M186 PolarHBondContact O-N 2.72Å; M186-C188 PolarHBondContact O-N 3.1Å; M186-L189 PolarHBondContact O-N 3.48Å; M186-K190 WeakPolarHBondContact O-CB 3.13Å; M186-K190 PolarHBondContact O-N 3.33Å
187K97.4Very high94.8Very high87 Ų8761.1 Ų61.138%0.37831%0.305SS..Hα-helixtrans-65.2-36.1174.1-173.563.9174.6-176.70112.7V130 I172 C183 R184 F185 K190 V191V130-K187 HydrophobicContact CG1-CG 4.36Å; I172-K187 HydrophobicContact CG1-CB 4.18Å; I172-K187 HydrophobicContact CG1-CG 4.44Å; C183-K187 WeakPolarHBondContact O-CB 3.3Å; C183-K187 PolarHBondContact O-N 3.13Å; R184-K187 PolarHBondContact O-N 2.91Å; F185-K187 VanDerWaalsContact C-N 3.3Å; F185-K187 PolarHBondContact O-N 3.12Å; K187-K190 PolarHBondContact O-N 2.97Å; K187-V191 HydrophobicContact CD-CG1 4.25Å; K187-V191 WeakPolarHBondContact O-CG1 3.49Å; K187-V191 WeakPolarHBondContact O-CG2 3.49Å; K187-V191 PolarHBondContact O-N 2.83Å; K187-V191 VanDerWaalsContact O-N 3.14Å
188C97.8Very high94.3Very high0 Ų059.8 Ų59.80%030%0.301CS..Hα-helixtrans-59.3-48.4171.8-71.60000111.5F152 R184 F185 M186 V191 M193F152-C188 HydrophobicContact CD2-CB 3.69Å; F152-C188 HydrophobicContact CE2-CB 4.17Å; R184-C188 PolarHBondContact O-N 3.32Å; R184-C188 PolarHBondContact O-SG 2.86Å; R184-C188 VanDerWaalsContact O-SG 3.33Å; F185-C188 WeakPolarHBondContact O-CB 3.28Å; F185-C188 PolarHBondContact O-N 3.42Å; F185-C188 VanDerWaalsContact O-N 3.09Å; M186-C188 PolarHBondContact O-N 3.1Å; C188-V191 WeakPolarHBondContact O-CG2 3.42Å; C188-V191 PolarHBondContact O-N 2.82Å; C188-M193 HydrophobicContact CB-CB 4.2Å; C188-M193 HydrophobicContact CB-CG 4.14Å; C188-M193 HydrophobicContact CB-SD 3.64Å; C188-M193 VanDerWaalsContact O-CB 3.27Å; C188-M193 WeakPolarHBondContact O-CB 3.42Å; C188-M193 WeakPolarHBondContact O-CG 3.49Å; C188-M193 PolarHBondContact O-N 3.33Å; C188-M193 VanDerWaalsContact SG-SD 3.7Å
189L96.6Very high93.5Very high63 Ų6356.4 Ų56.433%0.3328%0.283SS..Hα-helixtrans-64.4-45.7177.6-63.7173.9000111.3F152 F185 M186 V191 G192 K195F152-L189 HydrophobicContact CE2-CD2 3.88Å; F152-L189 HydrophobicContact CZ-CD2 4.29Å; F185-L189 HydrophobicContact CD1-CD1 4.31Å; F185-L189 HydrophobicContact CE1-CD1 3.9Å; F185-L189 HydrophobicContact CZ-CD1 4.13Å; F185-L189 HydrophobicContact CZ-CG 4.44Å; F185-L189 PolarHBondContact O-N 2.93Å; M186-L189 PolarHBondContact O-N 3.48Å; L189-V191 PolarHBondContact O-N 2.72Å; L189-G192 PolarHBondContact O-N 3.38Å; L189-K195 HydrophobicContact CD2-CD 4.43Å; L189-K195 HydrophobicContact CD2-CG 3.93Å
190K95.2Very high92.2Very high178 Ų17858.1 Ų58.177%0.77428%0.284SS*.Hα-helixtrans-64.1-18179.8-173.6162.6-176.5165.90114.4M186 K187M186-K190 WeakPolarHBondContact O-CB 3.13Å; M186-K190 PolarHBondContact O-N 3.33Å; K187-K190 PolarHBondContact O-N 2.97Å
191V94.1Very high90.5Very high35 Ų3563.3 Ų63.321%0.21231%0.312CS..THydrogen-bonded Turntrans-98.27170.4-55.40000113.8L129 V130 V142 K187 C188 L189L129-V191 HydrophobicContact CB-CB 4.16Å; L129-V191 HydrophobicContact CB-CG1 4.22Å; L129-V191 HydrophobicContact CB-CG2 4.25Å; V130-V191 HydrophobicContact CG2-CG2 3.73Å; V142-V191 HydrophobicContact CG1-CG2 4.37Å; V142-V191 WeakPolarHBondContact CG1-O 3.43Å; V142-V191 HydrophobicContact CG2-CG2 4.24Å; K187-V191 HydrophobicContact CD-CG1 4.25Å; K187-V191 WeakPolarHBondContact O-CG1 3.49Å; K187-V191 WeakPolarHBondContact O-CG2 3.49Å; K187-V191 PolarHBondContact O-N 2.83Å; K187-V191 VanDerWaalsContact O-N 3.14Å; C188-V191 WeakPolarHBondContact O-CG2 3.42Å; C188-V191 PolarHBondContact O-N 2.82Å; L189-V191 PolarHBondContact O-N 2.72Å
192G93.2Very high88.8Confident38 Ų3869.5 Ų69.539%0.39233%0.33SS..THydrogen-bonded Turntrans91.427.4175.300000115.8V142 L189 L194V142-G192 VanDerWaalsContact CG1-O 3.24Å; V142-G192 WeakPolarHBondContact CG1-O 3.21Å; L189-G192 PolarHBondContact O-N 3.38Å; G192-L194 PolarHBondContact O-N 3.44Å
193M95.6Very high86.9Confident5 Ų574.4 Ų74.43%0.02536%0.359CS..  trans-70.7112.4171.4-74.7-165163.300111.6V130 Y140 V142 S144 F152 C188 K195V130-M193 HydrophobicContact CG2-CE 4.04Å; Y140-M193 CarbonylContact O-C 3.54Å; Y140-M193 VanDerWaalsContact O-CA 3.3Å; Y140-M193 WeakPolarHBondContact O-CA 3.49Å; V142-M193 HydrophobicContact CB-CG 4.41Å; V142-M193 HydrophobicContact CG1-CG 3.98Å; V142-M193 HydrophobicContact CG2-CE 3.37Å; V142-M193 HydrophobicContact CG2-CG 3.49Å; V142-M193 VanDerWaalsContact CG2-CG 3.49Å; V142-M193 HydrophobicContact CG2-SD 4.27Å; S144-M193 WeakPolarHBondContact OG-CE 3.49Å; F152-M193 HydrophobicContact CB-SD 3.74Å; F152-M193 HydrophobicContact CD1-CB 4.34Å; F152-M193 HydrophobicContact CD1-SD 4.2Å; F152-M193 HydrophobicContact CD2-CB 3.88Å; F152-M193 HydrophobicContact CD2-CG 4.46Å; F152-M193 HydrophobicContact CD2-SD 3.76Å; F152-M193 HydrophobicContact CE1-CB 4.02Å; F152-M193 HydrophobicContact CE2-CB 3.52Å; F152-M193 HydrophobicContact CE2-SD 4.41Å; F152-M193 HydrophobicContact CG-CB 4.27Å; F152-M193 HydrophobicContact CG-SD 3.63Å; F152-M193 HydrophobicContact CZ-CB 3.6Å; F152-M193 VanDerWaalsContact CZ-O 3.31Å; F152-M193 WeakPolarHBondContact CZ-O 3.42Å; C188-M193 HydrophobicContact CB-CB 4.2Å; C188-M193 HydrophobicContact CB-CG 4.14Å; C188-M193 HydrophobicContact CB-SD 3.64Å; C188-M193 VanDerWaalsContact O-CB 3.27Å; C188-M193 WeakPolarHBondContact O-CB 3.42Å; C188-M193 WeakPolarHBondContact O-CG 3.49Å; C188-M193 PolarHBondContact O-N 3.33Å; C188-M193 VanDerWaalsContact SG-SD 3.7Å; M193-K195 PolarHBondContact O-N 2.99Å
194L89.9Confident84.9Confident51 Ų5186.5 Ų86.527%0.26740%0.404SS..  trans-71.5116.8-177.5-60.5-175.3000111.5Y140 F152 G192 E196 G197 Y210Y140-L194 PolarHBondContact O-N 2.98Å; F152-L194 WeakPolarHBondContact CE1-O 3.39Å; G192-L194 PolarHBondContact O-N 3.44Å; L194-E196 WeakPolarHBondContact CB-OE1 3.41Å; L194-G197 WeakPolarHBondContact O-CA 3.27Å; L194-G197 PolarHBondContact O-N 2.76Å; L194-G197 VanDerWaalsContact O-N 3.08Å; L194-Y210 HydrophobicContact CD1-CD1 3.42Å; L194-Y210 VanDerWaalsContact CD1-CD1 3.42Å; L194-Y210 HydrophobicContact CD1-CE1 3.74Å; L194-Y210 HydrophobicContact CD1-CG 4.02Å
195K91.8Very high82.6Confident113 Ų11388.2 Ų88.249%0.49143%0.428SS..G310 helixtrans-64.2-44.9-179.7-66.3-173.2178.41790111F152 I156 L189 M193 G197 V198F152-K195 HydrophobicContact CZ-CG 4.31Å; I156-K195 HydrophobicContact CD1-CB 4.23Å; I156-K195 HydrophobicContact CD1-CD 4.23Å; I156-K195 HydrophobicContact CD1-CG 3.86Å; L189-K195 HydrophobicContact CD2-CD 4.43Å; L189-K195 HydrophobicContact CD2-CG 3.93Å; M193-K195 PolarHBondContact O-N 2.99Å; K195-G197 PolarHBondContact O-N 3.5Å; K195-G197 VanDerWaalsContact O-N 3.17Å; K195-V198 WeakPolarHBondContact O-CB 3.02Å; K195-V198 PolarHBondContact O-N 2.87Å
196E85.6Confident80.2Confident115 Ų11589.2 Ų89.254%0.53745%0.449SS..G310 helixtrans-62.5-15.6173.377.4-71.8-179.300113.2L194 V198 Q208 Y210L194-E196 WeakPolarHBondContact CB-OE1 3.41Å; E196-V198 PolarHBondContact O-N 3.05Å; E196-Q208 PolarHBondContact O-NE2 3.32Å; E196-Y210 HydrophobicContact CG-CE1 4.44Å; E196-Y210 PolarHBondContact O-OH 2.76Å; E196-Y210 VanDerWaalsContact O-OH 3.05Å
197G81.7Confident78.2Confident4 Ų496.6 Ų96.64%0.04147%0.471CS..G310 helixtrans-62.7-17.8166.600000114Y140 L194 K195 Q208 Y210Y140-G197 WeakPolarHBondContact CD1-O 3.37Å; Y140-G197 VanDerWaalsContact CE1-O 3.27Å; Y140-G197 WeakPolarHBondContact CE1-O 3.17Å; L194-G197 WeakPolarHBondContact O-CA 3.27Å; L194-G197 PolarHBondContact O-N 2.76Å; L194-G197 VanDerWaalsContact O-N 3.08Å; K195-G197 PolarHBondContact O-N 3.5Å; K195-G197 VanDerWaalsContact O-N 3.17Å; G197-Q208 PolarHBondContact O-NE2 3.27Å; G197-Y210 WeakPolarHBondContact CA-OH 3.23Å; G197-Y210 PolarHBondContact N-OH 3.45Å
198V85.1Confident76.1Confident10 Ų1096 Ų966%0.06147%0.47CS..SBendtrans-100.5106.4179.5-175.70000109.9Y140 F152 K153 I156 Q157 K195 E196 L200Y140-V198 HydrophobicContact CD1-CG2 3.74Å; Y140-V198 HydrophobicContact CE1-CB 4.38Å; Y140-V198 HydrophobicContact CE1-CG2 3.56Å; Y140-V198 HydrophobicContact CG-CG2 4.35Å; F152-V198 HydrophobicContact CD1-CG2 3.82Å; F152-V198 HydrophobicContact CE1-CG2 3.74Å; K153-V198 HydrophobicContact CG-CG1 4.22Å; I156-V198 HydrophobicContact CB-CB 4.09Å; I156-V198 HydrophobicContact CB-CG1 4.07Å; I156-V198 HydrophobicContact CB-CG2 4.05Å; I156-V198 HydrophobicContact CG1-CG2 4.11Å; I156-V198 HydrophobicContact CG2-CB 3.8Å; I156-V198 HydrophobicContact CG2-CG1 3.98Å; I156-V198 HydrophobicContact CG2-CG2 4.23Å; Q157-V198 HydrophobicContact CG-CG1 3.52Å; K195-V198 WeakPolarHBondContact O-CB 3.02Å; K195-V198 PolarHBondContact O-N 2.87Å; E196-V198 PolarHBondContact O-N 3.05Å; V198-L200 PolarHBondContact O-N 3.14Å
199R78.8Confident73.7Confident113 Ų113105.9 Ų105.943%0.42651%0.513SS..  trans-60.5131.6167.3-73.4-179.2165.7115.1-19110.2Q157 G206Q157-R199 PolarHBondContact NE2-O 3.08Å; R199-G206 PolarHBondContact NH1-O 3.22Å
200L69.5Low71.6Confident132 Ų132106.5 Ų106.569%0.69151%0.511SS*.SBendtrans-70.8-44.4175.1-73.9161.1000110.8V198V198-L200 PolarHBondContact O-N 3.14Å
201D61.6Low69.1Low116 Ų116108.3 Ų108.362%0.6252%0.519SS*.SBendtrans-59.3137.7177.4-61.2-60.9000112.9V203D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 3.01Å
202R62.8Low67.1Low232 Ų232111.2 Ų111.288%0.87553%0.526SS*.  trans-81.58.5-179.8-64.3-177.5176.2-179.60.2113.6
203V56.8Low64.8Low113 Ų113115.9 Ų115.969%0.68553%0.532SS*.  trans-68.9147-178.1-61.50000112.9D201 G205D201-V203 HydrophobicContact CB-CG2 3.96Å; D201-V203 PolarHBondContact O-N 3.01Å; V203-G205 PolarHBondContact O-N 3.29Å
204R56.7Low62.7Low259 Ų259121.1 Ų121.198%0.97756%0.559SS**  trans-102.178.3-168.9-171.2-178.7177.9130.5-3.1112.4
205G49.3Very low60.4Low57 Ų57124.7 Ų124.759%0.58858%0.579SS**  trans-176.6156.2172.700000116.4V203V203-G205 PolarHBondContact O-N 3.29Å
206G48.8Very low58Low56 Ų56123.4 Ų123.458%0.57759%0.589SS**  trans102.410516500000117R199 Q208R199-G206 PolarHBondContact NH1-O 3.22Å; G206-Q208 PolarHBondContact O-N 3.34Å
207R53.8Low55.8Low252 Ų252126.2 Ų126.295%0.95160%0.602SS**  trans-57.2116.9167.4-93.8-176170.9180-1.6110.3
208Q54.6Low53.6Low75 Ų75133.9 Ų133.935%0.3564%0.642SS.*  trans-86.8113.7179.3-136.5156.7-44.600110.3E196 G197 G206 Y210E196-Q208 PolarHBondContact O-NE2 3.32Å; G197-Q208 PolarHBondContact O-NE2 3.27Å; G206-Q208 PolarHBondContact O-N 3.34Å; Q208-Y210 HydrophobicContact CB-CD2 4.35Å; Q208-Y210 HydrophobicContact CB-CE2 4.03Å; Q208-Y210 HydrophobicContact CG-CD2 4.34Å; Q208-Y210 HydrophobicContact CG-CE2 3.6Å; Q208-Y210 PolarHBondContact NE2-OH 2.9Å; Q208-Y210 PolarHBondContact O-N 3.17Å
209K47.1Very low51.4Low206 Ų206138 Ų13890%0.89667%0.671SS**  trans-86.487.7-178.6-74.1-176.4177178.20111.3
210Y52Low49.2Very low77 Ų77138.1 Ų138.130%0.30269%0.687SS.*  trans-85.7111.6167.1-75-78.5000111.1L194 E196 G197 Q208 R212L194-Y210 HydrophobicContact CD1-CD1 3.42Å; L194-Y210 VanDerWaalsContact CD1-CD1 3.42Å; L194-Y210 HydrophobicContact CD1-CE1 3.74Å; L194-Y210 HydrophobicContact CD1-CG 4.02Å; E196-Y210 HydrophobicContact CG-CE1 4.44Å; E196-Y210 PolarHBondContact O-OH 2.76Å; E196-Y210 VanDerWaalsContact O-OH 3.05Å; G197-Y210 WeakPolarHBondContact CA-OH 3.23Å; G197-Y210 PolarHBondContact N-OH 3.45Å; Q208-Y210 HydrophobicContact CB-CD2 4.35Å; Q208-Y210 HydrophobicContact CB-CE2 4.03Å; Q208-Y210 HydrophobicContact CG-CD2 4.34Å; Q208-Y210 HydrophobicContact CG-CE2 3.6Å; Q208-Y210 PolarHBondContact NE2-OH 2.9Å; Q208-Y210 PolarHBondContact O-N 3.17Å; Y210-R212 PolarHBondContact O-N 3.45Å
211K41.7Very low47.5Very low216 Ų216140.9 Ų140.994%0.93969%0.689SS**  trans-76.3107.2169.3-174.7175.4-180-178.10107.8
212R52.2Low46.6Very low96 Ų96141.9 Ų141.936%0.36269%0.694SS.*  trans-99.7133.5-171.1-71.9173.5-75131.6-13.5111.4Y138 G141 Y210Y138-R212 VanDerWaalsContact CG-NH1 3.32Å; G141-R212 WeakPolarHBondContact O-CD 3.06Å; Y210-R212 PolarHBondContact O-N 3.45Å
213R45.4Very low45.4Very low135 Ų135137.9 Ų137.951%0.50969%0.69SS.*  trans-64.2138.3149.8-66.4177.6175.7-81.81.4107.1Y234R213-Y234 VanDerWaalsContact CZ-CE1 3.49Å; R213-Y234 PolarHBondContact NH2-OH 2.85Å
214I52.5Low44.4Very low115 Ų115138 Ų13859%0.5969%0.694SS**  trans-119.196.2170.5-58.8178.1000104A216I214-A216 HydrophobicContact CG2-CB 4.28Å; I214-A216 PolarHBondContact O-N 3.17Å
215D40.4Very low43.5Very low127 Ų127134.5 Ų134.568%0.67969%0.688SS**  trans-72.2116.8171.7-51.3-38.8000105.4
216A41.9Very low43.1Very low86 Ų86139.4 Ų139.471%0.71170%0.7SS**  trans-123.737.5-150.100000114.1I214I214-A216 HydrophobicContact CG2-CB 4.28Å; I214-A216 PolarHBondContact O-N 3.17Å
217E38.3Very low42.4Very low173 Ų173143.7 Ų143.781%0.80871%0.714SS**  trans-112.2158.7-178.3-58.2-168.2144.300111.6
218N37.3Very low41.7Very low165 Ų165138.1 Ų138.188%0.88270%0.699SS**SBendtrans67.165.2-177.8-61.4-50.8000117.4
219S38.9Very low41Very low97 Ų97140.1 Ų140.168%0.67872%0.719SS**  trans-163.197.4148.5175.60000111.9Y221S219-Y221 VanDerWaalsContact C-N 3.25Å; S219-Y221 PolarHBondContact O-N 3.33Å
220P32.6Very low40.7Very low116 Ų116135.2 Ų135.275%0.75372%0.717SS**  trans-83.241.3-168.535.4-38.2000115
221Y33.9Very low40.6Very low189 Ų189140 Ų14074%0.74174%0.739SS**  trans-143.2142.5176.6-61.7-76000111.5S219S219-Y221 VanDerWaalsContact C-N 3.25Å; S219-Y221 PolarHBondContact O-N 3.33Å
222L41.3Very low41.3Very low137 Ų137134.9 Ų134.972%0.71772%0.717SS**  trans80.478.8174.9-55160.9000117.8P124P124-L222 HydrophobicContact CB-CD1 3.89Å
223N37.8Very low41.7Very low148 Ų148133.4 Ų133.479%0.79172%0.72SS**  -177.9125.5119.6-1036.4000113.4
224P36.3Very low42.8Very low117 Ų117133.6 Ų133.676%0.7672%0.721SS**  trans-82.9143.7159.5-5.123.9000111.8
225Q36.7Very low44.4Very low184 Ų184128.9 Ų128.986%0.8670%0.697SS**  trans47.597.2158.6-62-168.4-6.400119.5
226L40.9Very low46.9Very low161 Ų161128 Ų12884%0.84369%0.687SS**  -153.8111.3120.4-122.1160.4000108.2Q228L226-Q228 PolarHBondContact O-N 3.37Å
227V34Very low49.4Very low145 Ų145125.6 Ų125.688%0.87966%0.662SS**  trans-74.691.7-173.5-176.80000109.7
228Q39.6Very low52.1Low136 Ų136117.5 Ų117.564%0.63662%0.624SS**PPolyproline II helixtrans-83.2145.3158.2-61.9-173.211.600108L226 A230L226-Q228 PolarHBondContact O-N 3.37Å; Q228-A230 PolarHBondContact O-N 2.81Å
229P39.4Very low54.8Low116 Ų116111 Ų11175%0.75359%0.592SS**PPolyproline II helixtrans-56.7134.6173.824.7-33.8000109.5K231P229-K231 PolarHBondContact O-N 3.08Å; P229-K231 VanDerWaalsContact O-N 3.11Å
230A41Very low57.5Low104 Ų104110.7 Ų110.786%0.8658%0.58SS**PPolyproline II helixtrans-58.1118.1-177.700000109.4Q228 K232Q228-A230 PolarHBondContact O-N 2.81Å; A230-K232 PolarHBondContact O-N 3.28Å
231K51Low60.6Low176 Ų176105.2 Ų105.277%0.76554%0.544SS*.  trans-74.2114.7174.3-70.9174.1179.8166.80106.8P229P229-K231 PolarHBondContact O-N 3.08Å; P229-K231 VanDerWaalsContact O-N 3.11Å
232K56.7Low63.5Low110 Ų11098.7 Ų98.748%0.47852%0.522SS..  trans-39.1123.4173.3-83.1-156.6156.5-160.70108.2A230 Y234 E362 E364 Y402A230-K232 PolarHBondContact O-N 3.28Å; K232-Y234 PolarHBondContact O-N 3.47Å; K232-E362 IonicContact NZ-OE2 2.72Å; K232-E362 PolarHBondContact NZ-OE2 2.86Å; K232-E364 IonicContact NZ-OE1 3.18Å; K232-Y402 PolarHBondContact NZ-OH 2.86Å
233P60.1Low66Low64 Ų6498.3 Ų98.342%0.41653%0.525SS..  trans-57.7137.1-179.218-28.7000110.3G405 Q406P233-G405 WeakPolarHBondContact CD-O 3.27Å; P233-G405 WeakPolarHBondContact CG-O 3.49Å; P233-Q406 PolarHBondContact O-NE2 3.44Å
234Y68.6Low68.7Low140 Ų14092.2 Ų92.255%0.54950%0.495SS..  trans-95.7103.1-167.1-176.8-78.5000110R213 K232 K236 S239R213-Y234 VanDerWaalsContact CZ-CE1 3.49Å; R213-Y234 PolarHBondContact NH2-OH 2.85Å; K232-Y234 PolarHBondContact O-N 3.47Å; Y234-K236 HydrophobicContact CD1-CG 4.23Å; Y234-K236 HydrophobicContact CE1-CB 4.37Å; Y234-K236 HydrophobicContact CE1-CG 3.9Å; Y234-S239 VanDerWaalsContact CE2-OG 3.23Å; Y234-S239 WeakPolarHBondContact CE2-OG 3.3Å; Y234-S239 WeakPolarHBondContact OH-CB 3.29Å
235N86.6Confident71.5Confident16 Ų1688.2 Ų88.29%0.08647%0.466CS..  trans-82.4130.5164.3-171.3-70.7000110.2I237 V238 S239 A398 D401N235-I237 WeakPolarHBondContact OD1-CB 3.38Å; N235-I237 PolarHBondContact OD1-N 2.86Å; N235-V238 HydrophobicContact CB-CB 4.11Å; N235-V238 HydrophobicContact CB-CG2 3.94Å; N235-V238 PolarHBondContact OD1-N 3.46Å; N235-V238 VanDerWaalsContact OD1-N 3.08Å; N235-S239 VanDerWaalsContact O-CB 3.29Å; N235-S239 WeakPolarHBondContact O-CB 3.38Å; N235-S239 PolarHBondContact O-N 2.79Å; N235-S239 PolarHBondContact O-OG 2.52Å; N235-A398 PolarHBondContact ND2-O 3.41Å; N235-D401 VanDerWaalsContact ND2-CB 3.35Å; N235-D401 WeakPolarHBondContact ND2-CB 3.45Å
236K91.5Very high74.1Confident108 Ų10881.5 Ų81.547%0.4744%0.439SS..Hα-helixtrans-71.7-38.6-176.9-67.2160-172.41500112.8Y234 H240Y234-K236 HydrophobicContact CD1-CG 4.23Å; Y234-K236 HydrophobicContact CE1-CB 4.37Å; Y234-K236 HydrophobicContact CE1-CG 3.9Å; K236-H240 PolarHBondContact O-N 2.84Å; K236-H240 VanDerWaalsContact O-N 3.17Å
237I95.1Very high76.4Confident35 Ų3582.6 Ų82.618%0.17944%0.439CS..Hα-helixtrans-73.5-50.8-177.4-55.6-59.6000109.2N235 S239 H240 L241 P287 V394 L395 A398N235-I237 WeakPolarHBondContact OD1-CB 3.38Å; N235-I237 PolarHBondContact OD1-N 2.86Å; I237-S239 VanDerWaalsContact C-N 3.27Å; I237-S239 PolarHBondContact O-N 3.25Å; I237-H240 CarbonylContact O-C 3.58Å; I237-H240 WeakPolarHBondContact O-CA 3.26Å; I237-H240 VanDerWaalsContact O-CB 3.31Å; I237-H240 WeakPolarHBondContact O-CB 3.44Å; I237-H240 PolarHBondContact O-N 3.02Å; I237-L241 HydrophobicContact CG2-CD1 4.18Å; I237-L241 HydrophobicContact CG2-CG 4.38Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.44Å; I237-P287 HydrophobicContact CD1-CB 3.93Å; I237-P287 HydrophobicContact CD1-CG 4Å; I237-P287 HydrophobicContact CG2-CG 4.43Å; I237-V394 HydrophobicContact CD1-CG1 4.09Å; I237-V394 HydrophobicContact CG1-CG1 4.18Å; I237-L395 HydrophobicContact CG2-CD2 4.08Å; I237-A398 HydrophobicContact CB-CB 3.63Å; I237-A398 HydrophobicContact CG1-CB 4.06Å; I237-A398 HydrophobicContact CG2-CB 3.83Å
238V95.6Very high79.2Confident3 Ų382.2 Ų82.22%0.01843%0.426CS..Hα-helixtrans-57-41.3175.8-176.90000111.5N235 H240 L241 L242 E364 A398 Y402N235-V238 HydrophobicContact CB-CB 4.11Å; N235-V238 HydrophobicContact CB-CG2 3.94Å; N235-V238 PolarHBondContact OD1-N 3.46Å; N235-V238 VanDerWaalsContact OD1-N 3.08Å; V238-H240 VanDerWaalsContact C-N 3.26Å; V238-H240 PolarHBondContact O-N 2.77Å; V238-L241 PolarHBondContact O-N 3.08Å; V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 WeakPolarHBondContact O-CG 3.43Å; V238-L242 PolarHBondContact O-N 3.49Å; V238-E364 HydrophobicContact CG1-CB 3.56Å; V238-E364 HydrophobicContact CG1-CG 3.6Å; V238-A398 HydrophobicContact CG2-CB 4.45Å; V238-Y402 HydrophobicContact CB-CD2 4.36Å; V238-Y402 HydrophobicContact CG1-CD2 4Å; V238-Y402 HydrophobicContact CG1-CE2 4.2Å; V238-Y402 HydrophobicContact CG2-CD2 4.28Å; V238-Y402 HydrophobicContact CG2-CG 4.34Å
239S94.2Very high81.7Confident29 Ų2977.3 Ų77.320%0.20340%0.404CS..Hα-helixtrans-63.3-28.8173.7-62.30000113.7Y234 N235 I237 V243Y234-S239 VanDerWaalsContact CE2-OG 3.23Å; Y234-S239 WeakPolarHBondContact CE2-OG 3.3Å; Y234-S239 WeakPolarHBondContact OH-CB 3.29Å; N235-S239 VanDerWaalsContact O-CB 3.29Å; N235-S239 WeakPolarHBondContact O-CB 3.38Å; N235-S239 PolarHBondContact O-N 2.79Å; N235-S239 PolarHBondContact O-OG 2.52Å; I237-S239 VanDerWaalsContact C-N 3.27Å; I237-S239 PolarHBondContact O-N 3.25Å; S239-V243 WeakPolarHBondContact O-CG2 3.29Å
240H95Very high84.4Confident91 Ų9177.6 Ų77.642%0.42139%0.391SS..Hα-helixtrans-78.1-44175.4-161.2-87.4000110.8K236 I237 V238 L242 V243 A244 H285 P287K236-H240 PolarHBondContact O-N 2.84Å; K236-H240 VanDerWaalsContact O-N 3.17Å; I237-H240 CarbonylContact O-C 3.58Å; I237-H240 WeakPolarHBondContact O-CA 3.26Å; I237-H240 VanDerWaalsContact O-CB 3.31Å; I237-H240 WeakPolarHBondContact O-CB 3.44Å; I237-H240 PolarHBondContact O-N 3.02Å; V238-H240 VanDerWaalsContact C-N 3.26Å; V238-H240 PolarHBondContact O-N 2.77Å; H240-L242 VanDerWaalsContact C-N 3.35Å; H240-L242 PolarHBondContact O-N 2.78Å; H240-V243 PolarHBondContact O-N 3.25Å; H240-V243 VanDerWaalsContact O-N 3.11Å; H240-A244 WeakPolarHBondContact O-CB 3.32Å; H240-A244 PolarHBondContact O-N 3.05Å; H240-H285 PolarHBondContact CE1-O 3.5Å; H240-H285 PolarHBondContact ND1-O 2.8Å; H240-P287 HydrophobicContact CB-CG 4.23Å
241L97Very high87.1Confident0 Ų072.8 Ų72.80%035%0.351CS..Hα-helixtrans-60.6-41.5176.3-63.8177.2000111.7I237 V238 V243 A244 E245 I286 V367 A371 L395I237-L241 HydrophobicContact CG2-CD1 4.18Å; I237-L241 HydrophobicContact CG2-CG 4.38Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.44Å; V238-L241 PolarHBondContact O-N 3.08Å; L241-V243 PolarHBondContact O-N 3.44Å; L241-A244 PolarHBondContact O-N 3.45Å; L241-E245 WeakPolarHBondContact O-CB 3.21Å; L241-E245 PolarHBondContact O-N 2.79Å; L241-I286 HydrophobicContact CD2-CB 4.43Å; L241-I286 HydrophobicContact CD2-CG1 3.95Å; L241-I286 HydrophobicContact CD2-CG2 4.3Å; L241-V367 HydrophobicContact CB-CB 4.1Å; L241-V367 HydrophobicContact CB-CG2 3.73Å; L241-A371 HydrophobicContact CD1-CB 3.83Å; L241-A371 HydrophobicContact CD2-CB 3.94Å; L241-L395 HydrophobicContact CD1-CD2 4.27Å
242L95Very high89.1Confident53 Ų5371 Ų7128%0.27735%0.347SS..Hα-helixtrans-58.3-31.5173.6-84.4-175.9000114.3V238 H240 K363 E364 V367V238-L242 WeakPolarHBondContact O-CB 3.36Å; V238-L242 WeakPolarHBondContact O-CG 3.43Å; V238-L242 PolarHBondContact O-N 3.49Å; H240-L242 VanDerWaalsContact C-N 3.35Å; H240-L242 PolarHBondContact O-N 2.78Å; L242-K363 HydrophobicContact CD2-CB 4.27Å; L242-K363 HydrophobicContact CD2-CD 3.85Å; L242-K363 HydrophobicContact CD2-CG 3.86Å; L242-E364 HydrophobicContact CD1-CG 3.75Å; L242-E364 HydrophobicContact CD2-CG 4.19Å; L242-E364 HydrophobicContact CG-CG 4.09Å; L242-V367 HydrophobicContact CD2-CG2 4.12Å; L242-V367 HydrophobicContact CG-CG2 4.33Å
243V93.9Very high90.9Very high128 Ų12867.7 Ų67.778%0.77634%0.336SS*.Hα-helixtrans-92.6-26.5-178.1172.20000111.7S239 H240 L241S239-V243 WeakPolarHBondContact O-CG2 3.29Å; H240-V243 PolarHBondContact O-N 3.25Å; H240-V243 VanDerWaalsContact O-N 3.11Å; L241-V243 PolarHBondContact O-N 3.44Å
244A94.8Very high92.5Very high20 Ų2068.2 Ų68.217%0.16534%0.336CS..Hα-helixtrans-78.4-24.5172.400000112.8H240 L241 H285H240-A244 WeakPolarHBondContact O-CB 3.32Å; H240-A244 PolarHBondContact O-N 3.05Å; L241-A244 PolarHBondContact O-N 3.45Å; A244-H285 HydrophobicContact CB-CB 3.73Å
245E95.1Very high93.6Very high34 Ų3467.4 Ų67.416%0.15935%0.348CS..SBendtrans-57.5126.6-176.7-176.660.5-172.400111.7L241 W282 F366 V367 K370L241-E245 WeakPolarHBondContact O-CB 3.21Å; L241-E245 PolarHBondContact O-N 2.79Å; E245-W282 PolarHBondContact OE2-NE1 2.88Å; E245-F366 WeakPolarHBondContact OE1-CE1 3.28Å; E245-V367 HydrophobicContact CB-CG1 3.89Å; E245-V367 HydrophobicContact CG-CG1 3.76Å; E245-K370 IonicContact OE1-NZ 3.39Å; E245-K370 PolarHBondContact OE1-NZ 3.31Å; E245-K370 IonicContact OE2-NZ 2.74Å; E245-K370 PolarHBondContact OE2-NZ 3.06Å
246P92.2Very high93.9Very high43 Ų4372.1 Ų72.128%0.27938%0.377SS..PPolyproline II helixtrans-66.1162.7-168.8-23.936.3000115.1V278 W282P246-V278 HydrophobicContact CB-CG1 3.38Å; P246-V278 HydrophobicContact CG-CG1 3.49Å; P246-V278 VanDerWaalsContact CG-CG1 3.49Å; P246-W282 HydrophobicContact CG-CB 4Å; P246-W282 HydrophobicContact CG-CG 4.24Å
247E89.3Confident93.8Very high183 Ų18369.7 Ų69.786%0.85537%0.371SS*.PPolyproline II helixtrans-67.9158.1164.6-61.3-169.7168.500111.1
248K91Very high93.7Very high137 Ų13773 Ų7360%0.59640%0.395SS*.PPolyproline II helixtrans-70139.4-177.4-61.5-168.3178.7-168.50111.4D328K248-D328 VanDerWaalsContact CD-CG 3.5Å; K248-D328 WeakPolarHBondContact CD-OD1 3.45Å; K248-D328 VanDerWaalsContact CD-OD2 3.23Å; K248-D328 WeakPolarHBondContact CD-OD2 3.44Å; K248-D328 WeakPolarHBondContact CE-OD2 3.49Å; K248-D328 IonicContact NZ-OD1 3.07Å; K248-D328 PolarHBondContact NZ-OD1 3.41Å; K248-D328 IonicContact NZ-OD2 3.71Å; K248-D328 PolarHBondContact NZ-OD2 3.13Å
249I93.4Very high93.5Very high33 Ų3378.9 Ų78.917%0.16943%0.427CS..PPolyproline II helixtrans-100136.8169-50-172.4000108.5L271 R274 E275 V278I249-L271 HydrophobicContact CB-CD1 4.3Å; I249-L271 HydrophobicContact CG2-CD1 4Å; I249-R274 HydrophobicContact CD1-CB 4.27Å; I249-R274 WeakPolarHBondContact CD1-O 3.38Å; I249-R274 HydrophobicContact CG2-CB 4.29Å; I249-E275 HydrophobicContact CB-CG 4.49Å; I249-E275 HydrophobicContact CD1-CB 4.45Å; I249-E275 HydrophobicContact CD1-CG 3.9Å; I249-E275 HydrophobicContact CG1-CG 4.47Å; I249-V278 HydrophobicContact CD1-CB 4.14Å; I249-V278 HydrophobicContact CD1-CG2 3.76Å
250Y95.6Very high93.5Very high123 Ų12379.3 Ų79.348%0.48243%0.429SS..PPolyproline II helixtrans-91.6139.8171.9-64.8-81.6000110.1M252 R274 D328 D329Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 3.47Å; Y250-R274 PolarHBondContact O-NH1 3Å; Y250-D328 HydrophobicContact CD1-CB 4.15Å; Y250-D328 HydrophobicContact CE1-CB 3.77Å; Y250-D329 VanDerWaalsContact CA-OD1 3.24Å; Y250-D329 WeakPolarHBondContact CA-OD1 3.23Å; Y250-D329 WeakPolarHBondContact CB-OD1 3.37Å; Y250-D329 HydrophobicContact CD1-CB 4.01Å
251A97Very high93.5Very high3 Ų378.1 Ų78.13%0.02543%0.426CS..  trans-65.4-37.717900000111.9T267 L271 R274 A327 D329 Y330A251-T267 HydrophobicContact CB-CG2 3.95Å; A251-L271 HydrophobicContact CB-CD2 4.24Å; A251-R274 PolarHBondContact O-NH2 2.79Å; A251-A327 HydrophobicContact CB-CB 3.86Å; A251-D329 PolarHBondContact N-OD1 3.13Å; A251-D329 PolarHBondContact N-OD2 2.93Å; A251-Y330 VanDerWaalsContact CB-CB 3.45Å; A251-Y330 HydrophobicContact CB-CD1 4.4Å; A251-Y330 HydrophobicContact CB-CG 3.99Å
252M94.6Very high93.4Very high139 Ų13981.6 Ų81.669%0.68544%0.444SS*.  trans55.653.9-176.9-57.5-63-57.800113.6Y250 D329Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 3.47Å; M252-D329 WeakPolarHBondContact CA-OD2 3.31Å; M252-D329 PolarHBondContact N-OD2 3.45Å
253P94.5Very high93.4Very high39 Ų3980.4 Ų80.425%0.25344%0.437SS..  trans-60.2138.6177.727-35.3000111.6P255 T267 D329 Y330P253-P255 WeakPolarHBondContact O-CD 3.43Å; P253-T267 HydrophobicContact CB-CG2 3.99Å; P253-D329 WeakPolarHBondContact CD-OD2 3.26Å; P253-Y330 HydrophobicContact CB-CD2 4.33Å; P253-Y330 HydrophobicContact CB-CE2 4.41Å; P253-Y330 HydrophobicContact CG-CD2 4.08Å
254D91.9Very high93.5Very high75 Ų7574.8 Ų74.840%0.40140%0.403SS..  trans-65.9118.3178.9-169.8-30.7000110.9T256 V257 K263D254-T256 VanDerWaalsContact C-N 3.26Å; D254-T256 PolarHBondContact O-N 2.76Å; D254-T256 WeakPolarHBondContact OD1-CA 3.34Å; D254-T256 VanDerWaalsContact OD1-CB 3.3Å; D254-T256 WeakPolarHBondContact OD1-CB 3.29Å; D254-T256 PolarHBondContact OD1-N 2.89Å; D254-T256 PolarHBondContact OD1-OG1 3.49Å; D254-T256 PolarHBondContact OD2-OG1 3.23Å; D254-V257 HydrophobicContact CB-CB 4.45Å; D254-V257 HydrophobicContact CB-CG2 4Å; D254-K263 WeakPolarHBondContact O-CE 3.43Å; D254-K263 PolarHBondContact O-NZ 3.33Å; D254-K263 VanDerWaalsContact O-NZ 3.08Å
255P91.7Very high93.6Very high124 Ų12474.5 Ų74.581%0.80540%0.399SS*.SBendtrans-77.2-8.9-179.733.3-36.7000113.6P253P253-P255 WeakPolarHBondContact O-CD 3.43Å
256T93Very high93.7Very high115 Ų11574.2 Ų74.271%0.70640%0.399SS*.SBendtrans-89.3-22.7179.773.40000113D254D254-T256 VanDerWaalsContact C-N 3.26Å; D254-T256 PolarHBondContact O-N 2.76Å; D254-T256 WeakPolarHBondContact OD1-CA 3.34Å; D254-T256 VanDerWaalsContact OD1-CB 3.3Å; D254-T256 WeakPolarHBondContact OD1-CB 3.29Å; D254-T256 PolarHBondContact OD1-N 2.89Å; D254-T256 PolarHBondContact OD1-OG1 3.49Å; D254-T256 PolarHBondContact OD2-OG1 3.23Å
257V91Very high93.9Very high57 Ų5772.7 Ų72.735%0.34539%0.389SS..SBendtrans-85.3129.6178.5-177.50000110D254 K263D254-V257 HydrophobicContact CB-CB 4.45Å; D254-V257 HydrophobicContact CB-CG2 4Å; V257-K263 HydrophobicContact CB-CD 4.12Å; V257-K263 HydrophobicContact CB-CG 4.35Å; V257-K263 HydrophobicContact CG1-CB 4.07Å; V257-K263 HydrophobicContact CG1-CD 4.04Å; V257-K263 HydrophobicContact CG1-CG 4.05Å; V257-K263 WeakPolarHBondContact O-CD 3.47Å; V257-K263 WeakPolarHBondContact O-CE 3.42Å; V257-K263 PolarHBondContact O-NZ 3.21Å
258P91.8Very high94.3Very high105 Ų10564.4 Ų64.468%0.68235%0.351SS*.PPolyproline II helixtrans-62.4146.5173.8-23.734.6000113.2S260P258-S260 PolarHBondContact O-N 3.43Å; P258-S260 PolarHBondContact O-OG 3.35Å
259D91.3Very high94.6Very high126 Ų12657.9 Ų57.967%0.67432%0.323SS*.SBendtrans-64.5127.7-179.6-61.9-37000111.6K263D259-K263 WeakPolarHBondContact OD1-CE 3.43Å; D259-K263 IonicContact OD1-NZ 3.97Å; D259-K263 PolarHBondContact OD1-NZ 3.11Å
260S94.1Very high94.7Very high37 Ų3758.5 Ų58.526%0.25933%0.326SS..  trans-162.5162.9-167.847.90000109.6P258 K263 A264P258-S260 PolarHBondContact O-N 3.43Å; P258-S260 PolarHBondContact O-OG 3.35Å; S260-K263 PolarHBondContact O-N 2.93Å; S260-K263 VanDerWaalsContact OG-CB 3.29Å; S260-K263 WeakPolarHBondContact OG-CB 3.39Å; S260-K263 PolarHBondContact OG-N 3.24Å; S260-A264 PolarHBondContact O-N 3.23Å
261D94.5Very high94.8Very high66 Ų6652.9 Ų52.935%0.35331%0.305SS..Hα-helixtrans-54.8-51.1171.960.5-29.5000111.7K263 A264 L265D261-K263 VanDerWaalsContact C-N 3.34Å; D261-K263 PolarHBondContact O-N 3.44Å; D261-A264 PolarHBondContact O-N 3.07Å; D261-L265 WeakPolarHBondContact O-CB 3.22Å; D261-L265 VanDerWaalsContact O-CG 3.28Å; D261-L265 WeakPolarHBondContact O-CG 3.35Å; D261-L265 PolarHBondContact O-N 3.05Å
262I95Very high94.9Very high73 Ų7353.3 Ų53.337%0.37431%0.308SS..Hα-helixtrans-61.1-41.8-179-60.7175.4000111.2T266I262-T266 VanDerWaalsContact O-CB 3.27Å; I262-T266 WeakPolarHBondContact O-CB 3.47Å; I262-T266 PolarHBondContact O-N 3.17Å; I262-T266 PolarHBondContact O-OG1 3.22Å
263K95.4Very high95Very high29 Ų2947.7 Ų47.713%0.12628%0.281CS..Hα-helixtrans-62.4-47176.5-177.3-169.4177.91790111.6D254 V257 D259 S260 D261 T267D254-K263 WeakPolarHBondContact O-CE 3.43Å; D254-K263 PolarHBondContact O-NZ 3.33Å; D254-K263 VanDerWaalsContact O-NZ 3.08Å; V257-K263 HydrophobicContact CB-CD 4.12Å; V257-K263 HydrophobicContact CB-CG 4.35Å; V257-K263 HydrophobicContact CG1-CB 4.07Å; V257-K263 HydrophobicContact CG1-CD 4.04Å; V257-K263 HydrophobicContact CG1-CG 4.05Å; V257-K263 WeakPolarHBondContact O-CD 3.47Å; V257-K263 WeakPolarHBondContact O-CE 3.42Å; V257-K263 PolarHBondContact O-NZ 3.21Å; D259-K263 WeakPolarHBondContact OD1-CE 3.43Å; D259-K263 IonicContact OD1-NZ 3.97Å; D259-K263 PolarHBondContact OD1-NZ 3.11Å; S260-K263 PolarHBondContact O-N 2.93Å; S260-K263 VanDerWaalsContact OG-CB 3.29Å; S260-K263 WeakPolarHBondContact OG-CB 3.39Å; S260-K263 PolarHBondContact OG-N 3.24Å; D261-K263 VanDerWaalsContact C-N 3.34Å; D261-K263 PolarHBondContact O-N 3.44Å; K263-T267 WeakPolarHBondContact O-CB 3.44Å; K263-T267 PolarHBondContact O-N 3.39Å; K263-T267 PolarHBondContact O-OG1 2.88Å
264A96.7Very high95.1Very high9 Ų949.8 Ų49.87%0.07428%0.284CS..Hα-helixtrans-64.6-47.7-179.100000111.7S260 D261 T266 T267 L268 Y330 A340S260-A264 PolarHBondContact O-N 3.23Å; D261-A264 PolarHBondContact O-N 3.07Å; A264-T266 PolarHBondContact O-N 2.84Å; A264-T267 PolarHBondContact O-N 3.38Å; A264-L268 WeakPolarHBondContact O-CG 3.02Å; A264-L268 PolarHBondContact O-N 3.19Å; A264-Y330 WeakPolarHBondContact CA-OH 3.25Å; A264-Y330 WeakPolarHBondContact CB-OH 3.39Å; A264-A340 HydrophobicContact CB-CB 3.75Å
265L96.7Very high95.3Very high14 Ų1447.5 Ų47.57%0.07327%0.271CS..Hα-helixtrans-64.2-39.6178.7-64.9178.7000112.2D261 L268 C269 L342 I438 V444D261-L265 WeakPolarHBondContact O-CB 3.22Å; D261-L265 VanDerWaalsContact O-CG 3.28Å; D261-L265 WeakPolarHBondContact O-CG 3.35Å; D261-L265 PolarHBondContact O-N 3.05Å; L265-L268 PolarHBondContact O-N 2.91Å; L265-C269 PolarHBondContact O-N 2.98Å; L265-C269 PolarHBondContact O-SG 3.39Å; L265-L342 HydrophobicContact CD2-CD1 3.9Å; L265-L342 HydrophobicContact CD2-CD2 4.13Å; L265-L342 HydrophobicContact CD2-CG 3.98Å; L265-I438 HydrophobicContact CD1-CD1 3.85Å; L265-I438 HydrophobicContact CD1-CG1 4.15Å; L265-I438 HydrophobicContact CD1-CG2 4.27Å; L265-I438 HydrophobicContact CD2-CD1 3.67Å; L265-I438 HydrophobicContact CG-CD1 4.31Å; L265-V444 HydrophobicContact CB-CG1 4.12Å; L265-V444 HydrophobicContact CB-CG2 3.75Å; L265-V444 HydrophobicContact CD1-CG2 4.1Å
266T96.4Very high95.6Very high28 Ų2841.7 Ų41.717%0.17223%0.233CC..Hα-helixtrans-61-51.6173.4-55.40000110.9I262 A264 L268 C269 D270 P445I262-T266 VanDerWaalsContact O-CB 3.27Å; I262-T266 WeakPolarHBondContact O-CB 3.47Å; I262-T266 PolarHBondContact O-N 3.17Å; I262-T266 PolarHBondContact O-OG1 3.22Å; A264-T266 PolarHBondContact O-N 2.84Å; T266-L268 PolarHBondContact O-N 2.7Å; T266-C269 PolarHBondContact O-N 3.06Å; T266-C269 VanDerWaalsContact O-N 3.09Å; T266-D270 VanDerWaalsContact O-CG 3.32Å; T266-D270 PolarHBondContact O-N 2.76Å; T266-P445 HydrophobicContact CG2-CG 3.85Å
267T97.1Very high95.7Very high11 Ų1140.2 Ų40.27%0.06722%0.223CC..Hα-helixtrans-53.5-41.2178.2-55.60000111.9A251 P253 K263 A264 L271 Y330A251-T267 HydrophobicContact CB-CG2 3.95Å; P253-T267 HydrophobicContact CB-CG2 3.99Å; K263-T267 WeakPolarHBondContact O-CB 3.44Å; K263-T267 PolarHBondContact O-N 3.39Å; K263-T267 PolarHBondContact O-OG1 2.88Å; A264-T267 PolarHBondContact O-N 3.38Å; T267-L271 VanDerWaalsContact O-CB 3.3Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 PolarHBondContact O-N 2.96Å; T267-Y330 HydrophobicContact CG2-CD1 4.1Å; T267-Y330 HydrophobicContact CG2-CD2 4.26Å; T267-Y330 HydrophobicContact CG2-CE1 4Å; T267-Y330 HydrophobicContact CG2-CE2 4.16Å; T267-Y330 HydrophobicContact CG2-CG 4.25Å
268L97.5Very high95.9Very high10 Ų1040 Ų405%0.05222%0.222CC..Hα-helixtrans-72.8-38.4179-69.9170.7000113.2A264 L265 T266 A272 Y326 Y330 M332 L342 F435A264-L268 WeakPolarHBondContact O-CG 3.02Å; A264-L268 PolarHBondContact O-N 3.19Å; L265-L268 PolarHBondContact O-N 2.91Å; T266-L268 PolarHBondContact O-N 2.7Å; L268-A272 VanDerWaalsContact O-CB 3.26Å; L268-A272 WeakPolarHBondContact O-CB 3.48Å; L268-A272 PolarHBondContact O-N 3.31Å; L268-Y326 HydrophobicContact CD2-CD1 3.39Å; L268-Y326 HydrophobicContact CD2-CD2 4.07Å; L268-Y326 HydrophobicContact CD2-CE1 3.83Å; L268-Y326 HydrophobicContact CD2-CE2 4.44Å; L268-Y326 HydrophobicContact CD2-CG 3.51Å; L268-Y330 HydrophobicContact CD2-CD1 4.14Å; L268-Y330 HydrophobicContact CD2-CE1 3.85Å; L268-Y330 HydrophobicContact CG-CE1 4.04Å; L268-M332 HydrophobicContact CD1-SD 4.1Å; L268-L342 HydrophobicContact CD1-CD1 3.36Å; L268-F435 HydrophobicContact CB-CZ 4.47Å
269C97.2Very high96.1Very high0 Ų035.5 Ų35.50%019%0.192CC..Hα-helixtrans-65.9-44.4174.9-650000111.1L265 T266 L271 A272 D273 M446 F450L265-C269 PolarHBondContact O-N 2.98Å; L265-C269 PolarHBondContact O-SG 3.39Å; T266-C269 PolarHBondContact O-N 3.06Å; T266-C269 VanDerWaalsContact O-N 3.09Å; C269-L271 VanDerWaalsContact C-N 3.33Å; C269-L271 PolarHBondContact O-N 2.82Å; C269-A272 PolarHBondContact O-N 3.35Å; C269-D273 PolarHBondContact O-N 2.74Å; C269-M446 HydrophobicContact CB-CG 4.35Å; C269-F450 HydrophobicContact CB-CD1 4.35Å; C269-F450 HydrophobicContact CB-CE1 4.17Å
270D96.5Very high96.3Very high46 Ų4630 Ų3025%0.24616%0.163CC..Hα-helixtrans-65.8-36.4178.7-65.7-8.6000111.6T266 R274 H447T266-D270 VanDerWaalsContact O-CG 3.32Å; T266-D270 PolarHBondContact O-N 2.76Å; D270-R274 WeakPolarHBondContact O-CG 3.37Å; D270-R274 PolarHBondContact O-N 3.4Å; D270-R274 PolarHBondContact O-NE 3.26Å; D270-R274 PolarHBondContact O-NH2 3.28Å; D270-H447 IonicContact OD1-CD2 3.85Å; D270-H447 IonicContact OD1-NE2 3.36Å
271L97.7Very high96.3Very high5 Ų529.7 Ų29.73%0.02617%0.166CC..Hα-helixtrans-67.1-45.6171.8176.762.1000111.5I249 A251 T267 C269 D273 R274 E275 A327I249-L271 HydrophobicContact CB-CD1 4.3Å; I249-L271 HydrophobicContact CG2-CD1 4Å; A251-L271 HydrophobicContact CB-CD2 4.24Å; T267-L271 VanDerWaalsContact O-CB 3.3Å; T267-L271 WeakPolarHBondContact O-CB 3.39Å; T267-L271 PolarHBondContact O-N 2.96Å; C269-L271 VanDerWaalsContact C-N 3.33Å; C269-L271 PolarHBondContact O-N 2.82Å; L271-D273 PolarHBondContact O-N 2.88Å; L271-R274 PolarHBondContact O-N 3.46Å; L271-E275 HydrophobicContact CD1-CG 4.15Å; L271-E275 PolarHBondContact O-N 2.86Å; L271-A327 HydrophobicContact CD2-CB 4.13Å
272A97.5Very high96.5Very high11 Ų1126.9 Ų26.99%0.09115%0.15CC..Hα-helixtrans-64-38.9-178.100000112.7L268 C269 E275 L276 L309 F450L268-A272 VanDerWaalsContact O-CB 3.26Å; L268-A272 WeakPolarHBondContact O-CB 3.48Å; L268-A272 PolarHBondContact O-N 3.31Å; C269-A272 PolarHBondContact O-N 3.35Å; A272-E275 PolarHBondContact O-N 3.47Å; A272-L276 VanDerWaalsContact O-CB 3.29Å; A272-L276 WeakPolarHBondContact O-CB 3.36Å; A272-L276 VanDerWaalsContact O-CG 3.29Å; A272-L276 WeakPolarHBondContact O-CG 3.45Å; A272-L276 PolarHBondContact O-N 2.94Å; A272-L309 HydrophobicContact CB-CD1 4.16Å; A272-F450 HydrophobicContact CB-CD2 3.78Å; A272-F450 HydrophobicContact CB-CE2 3.5Å; A272-F450 VanDerWaalsContact CB-CE2 3.5Å; A272-F450 HydrophobicContact CB-CZ 4.26Å
273D96.6Very high96.6Very high22 Ų2223.4 Ų23.412%0.11813%0.132CC..Hα-helixtrans-63.4-42174.7-164.687.4000111.8C269 L271 L276 V277 H447 L449 F450C269-D273 PolarHBondContact O-N 2.74Å; L271-D273 PolarHBondContact O-N 2.88Å; D273-L276 WeakPolarHBondContact O-CB 3.34Å; D273-L276 PolarHBondContact O-N 2.99Å; D273-V277 WeakPolarHBondContact O-CG2 3.36Å; D273-V277 PolarHBondContact O-N 3.19Å; D273-V277 VanDerWaalsContact O-N 3.08Å; D273-H447 HydrophobicContact CB-CB 3.92Å; D273-H447 WeakPolarHBondContact OD1-CB 3.22Å; D273-L449 WeakPolarHBondContact OD1-CB 3.46Å; D273-F450 HydrophobicContact CB-CB 4.2Å; D273-F450 PolarHBondContact OD1-N 2.85Å
274R96.6Very high96.6Very high83 Ų8323.9 Ų23.931%0.31313%0.134SC..Hα-helixtrans-67.7-42.2175.8-72.2176.3-72.4153.3-2.8112.7I249 Y250 A251 D270 L271 L276 V278I249-R274 HydrophobicContact CD1-CB 4.27Å; I249-R274 WeakPolarHBondContact CD1-O 3.38Å; I249-R274 HydrophobicContact CG2-CB 4.29Å; Y250-R274 PolarHBondContact O-NH1 3Å; A251-R274 PolarHBondContact O-NH2 2.79Å; D270-R274 WeakPolarHBondContact O-CG 3.37Å; D270-R274 PolarHBondContact O-N 3.4Å; D270-R274 PolarHBondContact O-NE 3.26Å; D270-R274 PolarHBondContact O-NH2 3.28Å; L271-R274 PolarHBondContact O-N 3.46Å; R274-L276 VanDerWaalsContact C-N 3.33Å; R274-V278 PolarHBondContact O-N 2.98Å
275E97.1Very high96.5Very high27 Ų2727.4 Ų27.413%0.12615%0.149CC..Hα-helixtrans-65.1-36172.8-74.3-159123.700111.3I249 L271 A272 V278 I279 L309 R316I249-E275 HydrophobicContact CB-CG 4.49Å; I249-E275 HydrophobicContact CD1-CB 4.45Å; I249-E275 HydrophobicContact CD1-CG 3.9Å; I249-E275 HydrophobicContact CG1-CG 4.47Å; L271-E275 HydrophobicContact CD1-CG 4.15Å; L271-E275 PolarHBondContact O-N 2.86Å; A272-E275 PolarHBondContact O-N 3.47Å; E275-V278 CarbonylContact O-C 3.55Å; E275-V278 PolarHBondContact O-N 3.03Å; E275-I279 WeakPolarHBondContact O-CB 3.41Å; E275-I279 WeakPolarHBondContact O-CD1 3.4Å; E275-I279 VanDerWaalsContact O-CG1 3.23Å; E275-I279 WeakPolarHBondContact O-CG1 3.29Å; E275-I279 PolarHBondContact O-N 3.03Å; E275-L309 HydrophobicContact CB-CD2 3.38Å; E275-L309 HydrophobicContact CG-CD2 4.32Å; E275-R316 IonicContact OE1-CZ 3.35Å; E275-R316 IonicContact OE1-NH1 3.7Å; E275-R316 PolarHBondContact OE1-NH1 3.14Å; E275-R316 IonicContact OE1-NH2 3.61Å; E275-R316 PolarHBondContact OE1-NH2 2.83Å; E275-R316 VanDerWaalsContact OE1-NH2 3.12Å; E275-R316 IonicContact OE2-CZ 3.18Å; E275-R316 IonicContact OE2-NH1 2.7Å; E275-R316 IonicContact OE2-NH2 3.98Å; E275-R316 PolarHBondContact OE2-NH2 3.03Å
276L97.1Very high96.5Very high1 Ų127 Ų271%0.00515%0.147CC..Hα-helixtrans-59.8-49.6174.8-88171.2000112.9A272 D273 R274 V278 I279 I280 W305 L449 F450 M453A272-L276 VanDerWaalsContact O-CB 3.29Å; A272-L276 WeakPolarHBondContact O-CB 3.36Å; A272-L276 VanDerWaalsContact O-CG 3.29Å; A272-L276 WeakPolarHBondContact O-CG 3.45Å; A272-L276 PolarHBondContact O-N 2.94Å; D273-L276 WeakPolarHBondContact O-CB 3.34Å; D273-L276 PolarHBondContact O-N 2.99Å; R274-L276 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 3.12Å; L276-I279 PolarHBondContact O-N 2.75Å; L276-I279 VanDerWaalsContact O-N 3.13Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.01Å; L276-W305 HydrophobicContact CD1-CE3 4.15Å; L276-W305 HydrophobicContact CD1-CZ3 4.21Å; L276-W305 HydrophobicContact CD2-CB 3.67Å; L276-W305 HydrophobicContact CD2-CD2 4.02Å; L276-W305 HydrophobicContact CD2-CE3 3.73Å; L276-W305 HydrophobicContact CD2-CG 4.06Å; L276-W305 HydrophobicContact CG-CE3 4.18Å; L276-L449 HydrophobicContact CB-CD2 3.9Å; L276-L449 HydrophobicContact CB-CG 4.35Å; L276-L449 HydrophobicContact CD1-CG 4.38Å; L276-F450 HydrophobicContact CD1-CB 4.36Å; L276-F450 HydrophobicContact CD1-CD2 3.88Å; L276-M453 HydrophobicContact CD1-CB 4.18Å; L276-M453 HydrophobicContact CD1-CG 4.04Å; L276-M453 HydrophobicContact CD2-CE 4.25Å; L276-M453 HydrophobicContact CD2-CG 4.14Å
277V96.1Very high96.5Very high85 Ų8527.3 Ų27.352%0.51515%0.15SC..Hα-helixtrans-55.1-41.8176.2173.30000110.8D273 G281 L449D273-V277 WeakPolarHBondContact O-CG2 3.36Å; D273-V277 PolarHBondContact O-N 3.19Å; D273-V277 VanDerWaalsContact O-N 3.08Å; V277-G281 PolarHBondContact O-N 3.01Å; V277-G281 VanDerWaalsContact O-N 3.13Å; V277-L449 HydrophobicContact CG2-CD2 3.61Å
278V95.4Very high96.3Very high53 Ų5328.4 Ų28.432%0.32116%0.162SC..Hα-helixtrans-72.5-35179.3169.80000112.4P246 I249 R274 E275 L276 G281 W282P246-V278 HydrophobicContact CB-CG1 3.38Å; P246-V278 HydrophobicContact CG-CG1 3.49Å; P246-V278 VanDerWaalsContact CG-CG1 3.49Å; I249-V278 HydrophobicContact CD1-CB 4.14Å; I249-V278 HydrophobicContact CD1-CG2 3.76Å; R274-V278 PolarHBondContact O-N 2.98Å; E275-V278 CarbonylContact O-C 3.55Å; E275-V278 PolarHBondContact O-N 3.03Å; L276-V278 PolarHBondContact O-N 3.12Å; V278-G281 PolarHBondContact O-N 2.97Å; V278-W282 WeakPolarHBondContact O-CB 3.37Å; V278-W282 PolarHBondContact O-N 3.04Å
279I96.1Very high96.3Very high9 Ų927.9 Ų27.95%0.04616%0.16CC..Hα-helixtrans-65-42.9173.6-73.2162.6000111.4E275 L276 G281 W282 A283 L301 I308 L309E275-I279 WeakPolarHBondContact O-CB 3.41Å; E275-I279 WeakPolarHBondContact O-CD1 3.4Å; E275-I279 VanDerWaalsContact O-CG1 3.23Å; E275-I279 WeakPolarHBondContact O-CG1 3.29Å; E275-I279 PolarHBondContact O-N 3.03Å; L276-I279 PolarHBondContact O-N 2.75Å; L276-I279 VanDerWaalsContact O-N 3.13Å; I279-G281 VanDerWaalsContact C-N 3.26Å; I279-G281 PolarHBondContact O-N 3.04Å; I279-W282 HydrophobicContact CG2-CE3 4.26Å; I279-W282 PolarHBondContact O-N 3.29Å; I279-A283 PolarHBondContact O-N 3.33Å; I279-L301 HydrophobicContact CG2-CD2 4.19Å; I279-I308 HydrophobicContact CD1-CB 4.21Å; I279-I308 HydrophobicContact CD1-CG2 3.61Å; I279-I308 HydrophobicContact CG1-CG2 3.78Å; I279-I308 HydrophobicContact CG2-CD1 4.07Å; I279-I308 HydrophobicContact CG2-CG2 4.05Å; I279-L309 HydrophobicContact CD1-CD2 3.58Å; I279-L309 HydrophobicContact CD1-CG 4.01Å
280I95.4Very high96.3Very high11 Ų1131 Ų316%0.05618%0.182CC..Hα-helixtrans-63.9-34.1175.2-63.9165.8000110.8M24 L276 K284 L301 L449M24-I280 HydrophobicContact CG-CG2 4.13Å; L276-I280 WeakPolarHBondContact O-CG1 3.48Å; L276-I280 PolarHBondContact O-N 3.01Å; I280-K284 WeakPolarHBondContact O-CE 3.5Å; I280-L301 HydrophobicContact CG1-CD1 4.28Å; I280-L301 HydrophobicContact CG1-CD2 4.28Å; I280-L301 HydrophobicContact CG2-CD1 4.38Å; I280-L449 HydrophobicContact CD1-CD1 3.94Å; I280-L449 HydrophobicContact CD1-CD2 3.96Å
281G94.6Very high96.2Very high31 Ų3134.6 Ų34.632%0.3221%0.206SC..Hα-helixtrans-64.3-52.8169.500000112.6V277 V278 I279 A283 K284 H285V277-G281 PolarHBondContact O-N 3.01Å; V277-G281 VanDerWaalsContact O-N 3.13Å; V278-G281 PolarHBondContact O-N 2.97Å; I279-G281 VanDerWaalsContact C-N 3.26Å; I279-G281 PolarHBondContact O-N 3.04Å; G281-A283 PolarHBondContact O-N 3.18Å; G281-K284 PolarHBondContact O-N 3.25Å; G281-H285 PolarHBondContact O-CD2 2.99Å
282W97.3Very high96.2Very high6 Ų635.1 Ų35.12%0.02321%0.208CC..Hα-helixtrans-58.5-42.4-178.116583.1000113.7E245 P246 V278 I279 K284 H285 I286 I308 K370 L374E245-W282 PolarHBondContact OE2-NE1 2.88Å; P246-W282 HydrophobicContact CG-CB 4Å; P246-W282 HydrophobicContact CG-CG 4.24Å; V278-W282 WeakPolarHBondContact O-CB 3.37Å; V278-W282 PolarHBondContact O-N 3.04Å; I279-W282 HydrophobicContact CG2-CE3 4.26Å; I279-W282 PolarHBondContact O-N 3.29Å; W282-K284 PolarHBondContact O-N 3.22Å; W282-H285 WeakPolarHBondContact O-CA 3.39Å; W282-H285 WeakPolarHBondContact O-CB 3.5Å; W282-H285 PolarHBondContact O-N 2.76Å; W282-I286 HydrophobicContact CD2-CD1 4.36Å; W282-I286 HydrophobicContact CE3-CD1 4.15Å; W282-I286 HydrophobicContact CH2-CD1 3.62Å; W282-I286 HydrophobicContact CZ2-CD1 3.86Å; W282-I286 HydrophobicContact CZ2-CG1 4.37Å; W282-I286 HydrophobicContact CZ3-CD1 3.78Å; W282-I308 HydrophobicContact CZ3-CD1 4.07Å; W282-I308 HydrophobicContact CZ3-CG2 4.2Å; W282-K370 HydrophobicContact CH2-CB 4.26Å; W282-K370 HydrophobicContact CH2-CD 4Å; W282-K370 HydrophobicContact CH2-CG 3.63Å; W282-K370 HydrophobicContact CZ2-CB 4.19Å; W282-K370 HydrophobicContact CZ2-CD 3.64Å; W282-K370 HydrophobicContact CZ2-CG 3.73Å; W282-L374 HydrophobicContact CZ3-CD2 4.14Å
283A97.6Very high96.1Very high0 Ų036.6 Ų36.60%022%0.218CC..Hα-helixtrans-54.8-39.1-17800000112.5I279 G281 H285 I286 F289 L301 L374I279-A283 PolarHBondContact O-N 3.33Å; G281-A283 PolarHBondContact O-N 3.18Å; A283-H285 PolarHBondContact O-N 3.31Å; A283-H285 VanDerWaalsContact O-N 3.08Å; A283-I286 WeakPolarHBondContact O-CB 3.4Å; A283-I286 PolarHBondContact O-N 2.81Å; A283-F289 HydrophobicContact CB-CD1 4.05Å; A283-F289 HydrophobicContact CB-CE1 3.69Å; A283-F289 HydrophobicContact CB-CE2 4.28Å; A283-F289 HydrophobicContact CB-CG 4.49Å; A283-F289 HydrophobicContact CB-CZ 3.81Å; A283-F289 WeakPolarHBondContact O-CB 3.47Å; A283-F289 VanDerWaalsContact O-CD1 3.23Å; A283-F289 WeakPolarHBondContact O-CD1 3.23Å; A283-F289 WeakPolarHBondContact O-CG 3.5Å; A283-L301 HydrophobicContact CB-CD2 3.93Å; A283-L374 HydrophobicContact CB-CD2 3.76Å
284K95.8Very high96Very high39 Ų3938.7 Ų38.717%0.1723%0.229CC..THydrogen-bonded Turntrans-63.2-14.7176.9-53.3175-163.11730114M24 I280 G281 W282 S290M24-K284 PolarHBondContact O-NZ 3.38Å; I280-K284 WeakPolarHBondContact O-CE 3.5Å; G281-K284 PolarHBondContact O-N 3.25Å; W282-K284 PolarHBondContact O-N 3.22Å; K284-S290 VanDerWaalsContact CA-OG 3.31Å; K284-S290 WeakPolarHBondContact CA-OG 3.34Å; K284-S290 PolarHBondContact O-OG 3.37Å; K284-S290 VanDerWaalsContact O-OG 3.13Å
285H95Very high95.9Very high83 Ų8335.9 Ų35.938%0.38422%0.224SC..THydrogen-bonded Turntrans-99.30.8177.6-69-101.2000113.2K27 H240 A244 G281 W282 A283K27-H285 PolarHBondContact NZ-NE2 2.89Å; H240-H285 PolarHBondContact CE1-O 3.5Å; H240-H285 PolarHBondContact ND1-O 2.8Å; A244-H285 HydrophobicContact CB-CB 3.73Å; G281-H285 PolarHBondContact O-CD2 2.99Å; W282-H285 WeakPolarHBondContact O-CA 3.39Å; W282-H285 WeakPolarHBondContact O-CB 3.5Å; W282-H285 PolarHBondContact O-N 2.76Å; A283-H285 PolarHBondContact O-N 3.31Å; A283-H285 VanDerWaalsContact O-N 3.08Å
286I96.7Very high95.9Very high5 Ų534.6 Ų34.63%0.02622%0.217CC..SBendtrans-77.9126.3171.1-62.9168000108.9L241 W282 A283 G288 F289 A371 L374 L391 L395L241-I286 HydrophobicContact CD2-CB 4.43Å; L241-I286 HydrophobicContact CD2-CG1 3.95Å; L241-I286 HydrophobicContact CD2-CG2 4.3Å; W282-I286 HydrophobicContact CD2-CD1 4.36Å; W282-I286 HydrophobicContact CE3-CD1 4.15Å; W282-I286 HydrophobicContact CH2-CD1 3.62Å; W282-I286 HydrophobicContact CZ2-CD1 3.86Å; W282-I286 HydrophobicContact CZ2-CG1 4.37Å; W282-I286 HydrophobicContact CZ3-CD1 3.78Å; A283-I286 WeakPolarHBondContact O-CB 3.4Å; A283-I286 PolarHBondContact O-N 2.81Å; I286-G288 PolarHBondContact O-N 2.98Å; I286-G288 VanDerWaalsContact O-N 3.15Å; I286-F289 HydrophobicContact CB-CB 4.02Å; I286-F289 HydrophobicContact CG2-CB 4.4Å; I286-F289 PolarHBondContact O-N 2.92Å; I286-F289 VanDerWaalsContact O-N 3.11Å; I286-A371 HydrophobicContact CD1-CB 4.19Å; I286-A371 HydrophobicContact CG2-CB 4.43Å; I286-L374 HydrophobicContact CD1-CD2 3.45Å; I286-L374 VanDerWaalsContact CD1-CD2 3.45Å; I286-L391 HydrophobicContact CG2-CD1 4.29Å; I286-L395 HydrophobicContact CG2-CD2 4.32Å
287P94.9Very high95.8Very high36 Ų3635.4 Ų35.423%0.23422%0.221CC..THydrogen-bonded Turntrans-57.8119.7178.8-25.435.5000111.9I237 H240 L391I237-P287 HydrophobicContact CD1-CB 3.93Å; I237-P287 HydrophobicContact CD1-CG 4Å; I237-P287 HydrophobicContact CG2-CG 4.43Å; H240-P287 HydrophobicContact CB-CG 4.23Å; P287-L391 VanDerWaalsContact O-CD1 3.23Å; P287-L391 WeakPolarHBondContact O-CD1 3.23Å
288G94.8Very high95.7Very high33 Ų3331.6 Ų31.634%0.3420%0.198SC..THydrogen-bonded Turntrans96.5-17.4-179.600000115.5I286 T291I286-G288 PolarHBondContact O-N 2.98Å; I286-G288 VanDerWaalsContact O-N 3.15Å; G288-T291 WeakPolarHBondContact CA-OG1 3.47Å; G288-T291 PolarHBondContact O-N 3.4Å; G288-T291 PolarHBondContact O-OG1 3.13Å
289F97.1Very high95.7Very high0 Ų029.5 Ų29.50%019%0.186CC..G310 helixtrans-67.2-50.3179.6-177.8-90.9000112A283 I286 T291 L292 Q297 L300 L301 L374 L391A283-F289 HydrophobicContact CB-CD1 4.05Å; A283-F289 HydrophobicContact CB-CE1 3.69Å; A283-F289 HydrophobicContact CB-CE2 4.28Å; A283-F289 HydrophobicContact CB-CG 4.49Å; A283-F289 HydrophobicContact CB-CZ 3.81Å; A283-F289 WeakPolarHBondContact O-CB 3.47Å; A283-F289 VanDerWaalsContact O-CD1 3.23Å; A283-F289 WeakPolarHBondContact O-CD1 3.23Å; A283-F289 WeakPolarHBondContact O-CG 3.5Å; I286-F289 HydrophobicContact CB-CB 4.02Å; I286-F289 HydrophobicContact CG2-CB 4.4Å; I286-F289 PolarHBondContact O-N 2.92Å; I286-F289 VanDerWaalsContact O-N 3.11Å; F289-T291 PolarHBondContact O-N 3.28Å; F289-L292 HydrophobicContact CD2-CD1 4.43Å; F289-L292 WeakPolarHBondContact O-CB 3.5Å; F289-L292 WeakPolarHBondContact O-CG 3.22Å; F289-L292 PolarHBondContact O-N 2.95Å; F289-L292 VanDerWaalsContact O-N 3.09Å; F289-Q297 HydrophobicContact CD1-CG 3.98Å; F289-Q297 HydrophobicContact CE1-CB 3.74Å; F289-Q297 HydrophobicContact CE1-CG 3.54Å; F289-Q297 HydrophobicContact CE2-CB 4.31Å; F289-Q297 HydrophobicContact CE2-CG 4.25Å; F289-Q297 HydrophobicContact CZ-CB 3.55Å; F289-Q297 HydrophobicContact CZ-CG 3.7Å; F289-L300 HydrophobicContact CD2-CD1 4.05Å; F289-L300 HydrophobicContact CE2-CB 4.06Å; F289-L300 HydrophobicContact CE2-CD1 3.85Å; F289-L301 HydrophobicContact CZ-CD1 4.08Å; F289-L301 HydrophobicContact CZ-CG 4.1Å; F289-L374 HydrophobicContact CD2-CD2 3.7Å; F289-L374 HydrophobicContact CD2-CG 4.4Å; F289-L374 HydrophobicContact CE2-CD1 4.35Å; F289-L374 HydrophobicContact CE2-CD2 3.63Å; F289-L374 HydrophobicContact CE2-CG 4.1Å; F289-L374 HydrophobicContact CZ-CD2 4.4Å; F289-L391 HydrophobicContact CB-CD2 4.39Å; F289-L391 HydrophobicContact CD2-CD2 4.31Å
290S95.8Very high95.7Very high65 Ų6529.1 Ų29.146%0.45518%0.183SC..G310 helixtrans-72.112.8177.7-63.30000115.2K284K284-S290 VanDerWaalsContact CA-OG 3.31Å; K284-S290 WeakPolarHBondContact CA-OG 3.34Å; K284-S290 PolarHBondContact O-OG 3.37Å; K284-S290 VanDerWaalsContact O-OG 3.13Å
291T95.4Very high95.7Very high122 Ų12228.6 Ų28.675%0.74818%0.181SC*.G310 helixtrans-110.4-2.7169.144.30000113.6G288 F289G288-T291 WeakPolarHBondContact CA-OG1 3.47Å; G288-T291 PolarHBondContact O-N 3.4Å; G288-T291 PolarHBondContact O-OG1 3.13Å; F289-T291 PolarHBondContact O-N 3.28Å
292L96.4Very high95.7Very high15 Ų1528.9 Ų28.98%0.07917%0.174CC..SBendtrans-76.7166.4171.8-59177.9000111.6F289 D296 Q297 L300 A387 V388 L391F289-L292 HydrophobicContact CD2-CD1 4.43Å; F289-L292 WeakPolarHBondContact O-CB 3.5Å; F289-L292 WeakPolarHBondContact O-CG 3.22Å; F289-L292 PolarHBondContact O-N 2.95Å; F289-L292 VanDerWaalsContact O-N 3.09Å; L292-D296 HydrophobicContact CB-CB 4.04Å; L292-Q297 HydrophobicContact CB-CG 4.04Å; L292-Q297 PolarHBondContact O-NE2 2.95Å; L292-L300 HydrophobicContact CD1-CD1 3.46Å; L292-L300 VanDerWaalsContact CD1-CD1 3.46Å; L292-A387 HydrophobicContact CD2-CB 3.59Å; L292-V388 HydrophobicContact CD1-CG2 4.19Å; L292-V388 HydrophobicContact CD2-CG2 4.19Å; L292-L391 HydrophobicContact CD1-CD2 3.86Å
293S96.4Very high95.6Very high42 Ų4228.9 Ų28.929%0.29418%0.175SC..  trans-51.2151.7164.21740000110.7A295 D296 Q297 E383S293-A295 VanDerWaalsContact C-N 3.33Å; S293-A295 PolarHBondContact OG-N 3.35Å; S293-D296 WeakPolarHBondContact CB-OD2 3.31Å; S293-D296 WeakPolarHBondContact O-CB 3.47Å; S293-D296 PolarHBondContact O-N 3.07Å; S293-Q297 VanDerWaalsContact O-CG 3.31Å; S293-Q297 WeakPolarHBondContact O-CG 3.4Å; S293-Q297 PolarHBondContact O-N 3.44Å; S293-Q297 PolarHBondContact O-NE2 3Å; S293-E383 WeakPolarHBondContact CB-OE2 3.5Å; S293-E383 PolarHBondContact OG-OE2 3.36Å
294L95.2Very high95.5Very high66 Ų6628.9 Ų28.935%0.34618%0.175SC..Hα-helixtrans-71.7-32.1176.9-172.351.8000111.4L21 M24 Q297 M298L21-L294 HydrophobicContact CB-CD2 4.35Å; L21-L294 HydrophobicContact CD1-CD2 3.77Å; L21-L294 HydrophobicContact CD2-CD1 4.31Å; L21-L294 HydrophobicContact CD2-CD2 3.62Å; L21-L294 HydrophobicContact CD2-CG 3.59Å; L21-L294 HydrophobicContact CG-CD2 4.08Å; M24-L294 HydrophobicContact CB-CD1 4.35Å; M24-L294 HydrophobicContact CE-CD1 3.5Å; M24-L294 HydrophobicContact SD-CD1 3.8Å; L294-Q297 PolarHBondContact O-N 3.13Å; L294-M298 WeakPolarHBondContact O-CG 3.24Å; L294-M298 PolarHBondContact O-N 3.27Å
295A94.5Very high95.5Very high25 Ų2527 Ų2721%0.20717%0.167CC..Hα-helixtrans-68.1-38.717000000111.8S293 M298 S299S293-A295 VanDerWaalsContact C-N 3.33Å; S293-A295 PolarHBondContact OG-N 3.35Å; A295-M298 PolarHBondContact O-N 2.78Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.09Å
296D96Very high95.6Very high0 Ų023.4 Ų23.40%015%0.15CC..Hα-helixtrans-61-47.7171.3-75.2-28.4000111.3L292 S293 M298 S299 L300 I382 E383 D384L292-D296 HydrophobicContact CB-CB 4.04Å; S293-D296 WeakPolarHBondContact CB-OD2 3.31Å; S293-D296 WeakPolarHBondContact O-CB 3.47Å; S293-D296 PolarHBondContact O-N 3.07Å; D296-M298 VanDerWaalsContact C-N 3.27Å; D296-M298 PolarHBondContact O-N 2.9Å; D296-S299 PolarHBondContact O-N 2.73Å; D296-L300 WeakPolarHBondContact O-CG 3.36Å; D296-L300 PolarHBondContact O-N 2.98Å; D296-I382 WeakPolarHBondContact OD1-CA 3.48Å; D296-I382 WeakPolarHBondContact OD1-CG2 3.44Å; D296-E383 PolarHBondContact OD1-N 2.91Å; D296-D384 PolarHBondContact OD2-N 2.8Å
297Q96.2Very high95.7Very high18 Ų1823.1 Ų23.18%0.08415%0.149CC..Hα-helixtrans-58.6-39.3177.8-71.5173.763.200111.8M24 F289 L292 S293 L294 L301M24-Q297 HydrophobicContact CE-CB 3.78Å; M24-Q297 HydrophobicContact CE-CG 4.5Å; F289-Q297 HydrophobicContact CD1-CG 3.98Å; F289-Q297 HydrophobicContact CE1-CB 3.74Å; F289-Q297 HydrophobicContact CE1-CG 3.54Å; F289-Q297 HydrophobicContact CE2-CB 4.31Å; F289-Q297 HydrophobicContact CE2-CG 4.25Å; F289-Q297 HydrophobicContact CZ-CB 3.55Å; F289-Q297 HydrophobicContact CZ-CG 3.7Å; L292-Q297 HydrophobicContact CB-CG 4.04Å; L292-Q297 PolarHBondContact O-NE2 2.95Å; S293-Q297 VanDerWaalsContact O-CG 3.31Å; S293-Q297 WeakPolarHBondContact O-CG 3.4Å; S293-Q297 PolarHBondContact O-N 3.44Å; S293-Q297 PolarHBondContact O-NE2 3Å; L294-Q297 PolarHBondContact O-N 3.13Å; Q297-L301 WeakPolarHBondContact O-CD1 3.36Å; Q297-L301 WeakPolarHBondContact O-CG 3.28Å; Q297-L301 PolarHBondContact O-N 2.91Å
298M93.9Very high95.8Very high4 Ų421.5 Ų21.52%0.0214%0.138CC..Hα-helixtrans-64.4-51.2172.1-74.3-169.454.500112Y16 E17 L20 L21 M24 L294 A295 D296 L300 L301 Q302Y16-M298 HydrophobicContact CD1-CE 3.76Å; Y16-M298 HydrophobicContact CE1-CE 3.61Å; E17-M298 HydrophobicContact CB-CE 4.45Å; E17-M298 HydrophobicContact CB-SD 4.28Å; E17-M298 HydrophobicContact CG-CE 4.15Å; E17-M298 HydrophobicContact CG-SD 4.28Å; L20-M298 HydrophobicContact CB-CE 3.63Å; L20-M298 HydrophobicContact CB-CG 4.48Å; L20-M298 HydrophobicContact CB-SD 3.77Å; L20-M298 HydrophobicContact CD1-CE 4.37Å; L20-M298 HydrophobicContact CD2-CE 3.99Å; L20-M298 HydrophobicContact CD2-CG 3.84Å; L20-M298 HydrophobicContact CD2-SD 4.22Å; L20-M298 HydrophobicContact CG-CE 4.18Å; L21-M298 HydrophobicContact CD2-SD 3.62Å; M24-M298 HydrophobicContact SD-CG 4.19Å; L294-M298 WeakPolarHBondContact O-CG 3.24Å; L294-M298 PolarHBondContact O-N 3.27Å; A295-M298 PolarHBondContact O-N 2.78Å; D296-M298 VanDerWaalsContact C-N 3.27Å; D296-M298 PolarHBondContact O-N 2.9Å; M298-L300 VanDerWaalsContact C-N 3.29Å; M298-L300 PolarHBondContact O-N 3.43Å; M298-L301 PolarHBondContact O-N 2.59Å; M298-L301 VanDerWaalsContact O-N 3.08Å; M298-Q302 WeakPolarHBondContact O-CB 3.26Å; M298-Q302 WeakPolarHBondContact O-CG 2.93Å; M298-Q302 PolarHBondContact O-N 2.96Å; M298-Q302 PolarHBondContact O-OE1 3.42Å
299S94.9Very high96Very high10 Ų1020.6 Ų20.67%0.0713%0.125CC..Hα-helixtrans-56.7-38.5178.5-88.60000113.3A295 D296 S303 S379A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.09Å; D296-S299 PolarHBondContact O-N 2.73Å; S299-S303 VanDerWaalsContact O-CB 3.23Å; S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 2.89Å; S299-S379 PolarHBondContact OG-OG 3.11Å
300L96.3Very high96Very high0 Ų020.9 Ų20.90%013%0.127CC..Hα-helixtrans-66-47.3174.2-67-171.9000111.4F289 L292 D296 M298 S303 A304 L374 I382 V388 L391F289-L300 HydrophobicContact CD2-CD1 4.05Å; F289-L300 HydrophobicContact CE2-CB 4.06Å; F289-L300 HydrophobicContact CE2-CD1 3.85Å; L292-L300 HydrophobicContact CD1-CD1 3.46Å; L292-L300 VanDerWaalsContact CD1-CD1 3.46Å; D296-L300 WeakPolarHBondContact O-CG 3.36Å; D296-L300 PolarHBondContact O-N 2.98Å; M298-L300 VanDerWaalsContact C-N 3.29Å; M298-L300 PolarHBondContact O-N 3.43Å; L300-S303 PolarHBondContact O-N 3.31Å; L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 3.39Å; L300-L374 HydrophobicContact CB-CD1 4.13Å; L300-L374 HydrophobicContact CB-CG 4.42Å; L300-I382 HydrophobicContact CD2-CD1 4.04Å; L300-V388 HydrophobicContact CD2-CG1 4.09Å; L300-L391 HydrophobicContact CD1-CD2 4.22Å
301L95.7Very high96.2Very high1 Ų117.9 Ų17.91%0.00511%0.105CC..Hα-helixtrans-63.1-49.3178.5-78.4164.7000112.2M24 I279 I280 A283 F289 Q297 M298 S303 A304 W305 L374M24-L301 HydrophobicContact SD-CD1 4.46Å; I279-L301 HydrophobicContact CG2-CD2 4.19Å; I280-L301 HydrophobicContact CG1-CD1 4.28Å; I280-L301 HydrophobicContact CG1-CD2 4.28Å; I280-L301 HydrophobicContact CG2-CD1 4.38Å; A283-L301 HydrophobicContact CB-CD2 3.93Å; F289-L301 HydrophobicContact CZ-CD1 4.08Å; F289-L301 HydrophobicContact CZ-CG 4.1Å; Q297-L301 WeakPolarHBondContact O-CD1 3.36Å; Q297-L301 WeakPolarHBondContact O-CG 3.28Å; Q297-L301 PolarHBondContact O-N 2.91Å; M298-L301 PolarHBondContact O-N 2.59Å; M298-L301 VanDerWaalsContact O-N 3.08Å; L301-S303 PolarHBondContact O-N 3.44Å; L301-A304 PolarHBondContact O-N 3.29Å; L301-W305 WeakPolarHBondContact O-CB 3.34Å; L301-W305 PolarHBondContact O-N 3.44Å; L301-L374 HydrophobicContact CD2-CD1 3.97Å; L301-L374 HydrophobicContact CG-CD1 4.22Å
302Q94.2Very high96.3Very high37 Ų3712.4 Ų12.417%0.1737%0.074CC..Hα-helixtrans-59.6-34.8175.1-69.7170.4-5800111.7Y16 M298 W305 M453 A456 K457Y16-Q302 PolarHBondContact OH-NE2 2.85Å; M298-Q302 WeakPolarHBondContact O-CB 3.26Å; M298-Q302 WeakPolarHBondContact O-CG 2.93Å; M298-Q302 PolarHBondContact O-N 2.96Å; M298-Q302 PolarHBondContact O-OE1 3.42Å; Q302-W305 VanDerWaalsContact O-CD1 3.29Å; Q302-M453 HydrophobicContact CG-CE 4.43Å; Q302-M453 HydrophobicContact CG-SD 4.43Å; Q302-A456 HydrophobicContact CB-CB 4.13Å; Q302-A456 HydrophobicContact CG-CB 3.85Å; Q302-A456 VanDerWaalsContact NE2-CB 3.31Å; Q302-K457 WeakPolarHBondContact O-CE 3.29Å
303S94Very high96.4Very high5 Ų512.1 Ų12.14%0.0357%0.073CC..Hα-helixtrans-71.7-41.5176-175.70000113.6S299 L300 L301 S377 D378 K457S299-S303 VanDerWaalsContact O-CB 3.23Å; S299-S303 WeakPolarHBondContact O-CB 3.42Å; S299-S303 PolarHBondContact O-N 2.89Å; L300-S303 PolarHBondContact O-N 3.31Å; L301-S303 PolarHBondContact O-N 3.44Å; S303-S377 WeakPolarHBondContact CB-OG 3.45Å; S303-S377 PolarHBondContact OG-OG 2.87Å; S303-D378 PolarHBondContact OG-N 3.45Å; S303-K457 WeakPolarHBondContact O-CE 3.41Å; S303-K457 PolarHBondContact O-NZ 2.8Å
304A96.1Very high96.5Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-107.6-10.4-163.100000115.8L300 L301 M306 E307 I308 A373 L374L300-A304 WeakPolarHBondContact O-CB 3.41Å; L300-A304 PolarHBondContact O-N 3.39Å; L301-A304 PolarHBondContact O-N 3.29Å; A304-M306 VanDerWaalsContact C-N 3.35Å; A304-M306 PolarHBondContact O-N 3.31Å; A304-M306 VanDerWaalsContact O-N 3.17Å; A304-E307 WeakPolarHBondContact O-CA 3.45Å; A304-E307 WeakPolarHBondContact O-CB 3.41Å; A304-E307 PolarHBondContact O-N 2.9Å; A304-I308 HydrophobicContact CB-CD1 3.87Å; A304-I308 HydrophobicContact CB-CG1 4.37Å; A304-I308 WeakPolarHBondContact O-CG1 3.18Å; A304-I308 PolarHBondContact O-N 2.83Å; A304-A373 VanDerWaalsContact CB-O 3.29Å; A304-A373 WeakPolarHBondContact CB-O 3.42Å; A304-L374 HydrophobicContact CB-CD1 4.14Å
305W96.5Very high96.6Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-51.1-46.6-168.969.7-89000115L276 L301 Q302 E307 I308 L309 V432 F450 M453 L454L276-W305 HydrophobicContact CD1-CE3 4.15Å; L276-W305 HydrophobicContact CD1-CZ3 4.21Å; L276-W305 HydrophobicContact CD2-CB 3.67Å; L276-W305 HydrophobicContact CD2-CD2 4.02Å; L276-W305 HydrophobicContact CD2-CE3 3.73Å; L276-W305 HydrophobicContact CD2-CG 4.06Å; L276-W305 HydrophobicContact CG-CE3 4.18Å; L301-W305 WeakPolarHBondContact O-CB 3.34Å; L301-W305 PolarHBondContact O-N 3.44Å; Q302-W305 VanDerWaalsContact O-CD1 3.29Å; W305-E307 VanDerWaalsContact C-N 3.34Å; W305-E307 PolarHBondContact O-N 2.65Å; W305-I308 WeakPolarHBondContact O-CB 3.15Å; W305-I308 PolarHBondContact O-N 3.34Å; W305-L309 HydrophobicContact CE3-CD1 3.58Å; W305-L309 HydrophobicContact CE3-CG 4.48Å; W305-L309 HydrophobicContact CZ3-CD1 3.64Å; W305-L309 WeakPolarHBondContact O-CG 3.24Å; W305-L309 PolarHBondContact O-N 3.2Å; W305-V432 HydrophobicContact CZ2-CG2 4.38Å; W305-F450 HydrophobicContact CH2-CD2 4.07Å; W305-F450 AromaticContact CH2-CE2 3.71Å; W305-F450 HydrophobicContact CH2-CE2 3.71Å; W305-F450 HydrophobicContact CZ3-CD2 4.04Å; W305-F450 AromaticContact CZ3-CE2 3.71Å; W305-F450 HydrophobicContact CZ3-CE2 3.71Å; W305-M453 HydrophobicContact CB-CE 3.72Å; W305-M453 VanDerWaalsContact CD1-CE 3.47Å; W305-M453 HydrophobicContact CD2-CB 4.09Å; W305-M453 HydrophobicContact CD2-CE 4.48Å; W305-M453 HydrophobicContact CG-CB 4.38Å; W305-M453 HydrophobicContact CG-CE 3.64Å; W305-M453 HydrophobicContact CZ2-CB 3.95Å; W305-M453 WeakPolarHBondContact CZ2-O 3.3Å; W305-M453 PolarHBondContact NE1-O 2.89Å; W305-L454 HydrophobicContact CH2-CD2 3.87Å; W305-L454 HydrophobicContact CH2-CG 4.1Å; W305-L454 HydrophobicContact CZ2-CD2 3.91Å; W305-L454 HydrophobicContact CZ2-CG 4.14Å
306M97.3Very high96.8Very high7 Ų711.5 Ų11.53%0.0345%0.054CC..Hα-helixtrans-70-30.4-179.4-178.266.981.500112.1A304 I308 L309 I310 S428 A431 V432 F435A304-M306 VanDerWaalsContact C-N 3.35Å; A304-M306 PolarHBondContact O-N 3.31Å; A304-M306 VanDerWaalsContact O-N 3.17Å; M306-I308 VanDerWaalsContact C-N 3.34Å; M306-L309 HydrophobicContact SD-CD1 4.46Å; M306-I310 HydrophobicContact CG-CD1 3.84Å; M306-I310 HydrophobicContact CG-CG1 4.49Å; M306-I310 WeakPolarHBondContact O-CB 3.28Å; M306-I310 WeakPolarHBondContact O-CD1 3.37Å; M306-I310 VanDerWaalsContact O-CG1 3.22Å; M306-I310 WeakPolarHBondContact O-CG1 3.36Å; M306-I310 PolarHBondContact O-N 3.35Å; M306-I310 HydrophobicContact SD-CD1 4.24Å; M306-I310 HydrophobicContact SD-CG1 4.41Å; M306-S428 WeakPolarHBondContact CB-OG 3.5Å; M306-A431 HydrophobicContact CE-CB 3.93Å; M306-A431 HydrophobicContact CG-CB 3.81Å; M306-A431 HydrophobicContact SD-CB 3.63Å; M306-V432 HydrophobicContact CB-CG2 3.93Å; M306-V432 HydrophobicContact CE-CG2 4.1Å; M306-V432 HydrophobicContact CG-CG2 3.95Å; M306-F435 HydrophobicContact CE-CD2 3.88Å; M306-F435 HydrophobicContact CE-CE2 4.42Å
307E97.7Very high96.9Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-67.2-38.1171.9-63.7175.9-107.400111.3A304 W305 I310 L311 L424 R425 S428A304-E307 WeakPolarHBondContact O-CA 3.45Å; A304-E307 WeakPolarHBondContact O-CB 3.41Å; A304-E307 PolarHBondContact O-N 2.9Å; W305-E307 VanDerWaalsContact C-N 3.34Å; W305-E307 PolarHBondContact O-N 2.65Å; E307-I310 PolarHBondContact O-N 2.99Å; E307-L311 WeakPolarHBondContact O-CB 3.21Å; E307-L311 WeakPolarHBondContact O-CG 3.43Å; E307-L311 PolarHBondContact O-N 3.33Å; E307-L424 HydrophobicContact CB-CD1 4.28Å; E307-L424 HydrophobicContact CB-CD2 3.96Å; E307-L424 HydrophobicContact CB-CG 3.9Å; E307-L424 HydrophobicContact CG-CD2 4.46Å; E307-L424 HydrophobicContact CG-CG 4.04Å; E307-R425 VanDerWaalsContact CD-NE 3.27Å; E307-R425 IonicContact OE1-CZ 2.69Å; E307-R425 IonicContact OE1-NE 2.72Å; E307-R425 PolarHBondContact OE1-NE 3.21Å; E307-R425 IonicContact OE1-NH2 3.11Å; E307-R425 PolarHBondContact OE1-NH2 3.04Å; E307-R425 IonicContact OE2-CZ 3.76Å; E307-R425 IonicContact OE2-NE 3.69Å; E307-R425 PolarHBondContact OE2-NE 2.89Å; E307-R425 IonicContact OE2-NH2 3.37Å; E307-R425 PolarHBondContact OE2-NH2 2.98Å; E307-S428 VanDerWaalsContact CG-CB 3.44Å; E307-S428 WeakPolarHBondContact CG-OG 3.37Å; E307-S428 PolarHBondContact N-OG 2.78Å
308I97.9Very high96.9Very high2 Ų211.9 Ų11.91%0.016%0.057CC..Hα-helixtrans-68.3-41.2178.6-62.4160.3000110.7I279 W282 A304 W305 M306 G312 K370 L374I279-I308 HydrophobicContact CD1-CB 4.21Å; I279-I308 HydrophobicContact CD1-CG2 3.61Å; I279-I308 HydrophobicContact CG1-CG2 3.78Å; I279-I308 HydrophobicContact CG2-CD1 4.07Å; I279-I308 HydrophobicContact CG2-CG2 4.05Å; W282-I308 HydrophobicContact CZ3-CD1 4.07Å; W282-I308 HydrophobicContact CZ3-CG2 4.2Å; A304-I308 HydrophobicContact CB-CD1 3.87Å; A304-I308 HydrophobicContact CB-CG1 4.37Å; A304-I308 WeakPolarHBondContact O-CG1 3.18Å; A304-I308 PolarHBondContact O-N 2.83Å; W305-I308 WeakPolarHBondContact O-CB 3.15Å; W305-I308 PolarHBondContact O-N 3.34Å; M306-I308 VanDerWaalsContact C-N 3.34Å; I308-G312 PolarHBondContact O-N 3.06Å; I308-G312 VanDerWaalsContact O-N 3.12Å; I308-K370 HydrophobicContact CG2-CD 4.3Å; I308-K370 VanDerWaalsContact CG2-CE 3.45Å; I308-K370 HydrophobicContact CG2-CG 3.9Å; I308-L374 HydrophobicContact CD1-CB 4.11Å; I308-L374 HydrophobicContact CD1-CD1 3.9Å
309L98Very high97Very high14 Ų1416.8 Ų16.87%0.0739%0.092CC..Hα-helixtrans-62.3-50.1171.9-69.2176.9000111.6A272 E275 I279 W305 M306 L311 G312 V313A272-L309 HydrophobicContact CB-CD1 4.16Å; E275-L309 HydrophobicContact CB-CD2 3.38Å; E275-L309 HydrophobicContact CG-CD2 4.32Å; I279-L309 HydrophobicContact CD1-CD2 3.58Å; I279-L309 HydrophobicContact CD1-CG 4.01Å; W305-L309 HydrophobicContact CE3-CD1 3.58Å; W305-L309 HydrophobicContact CE3-CG 4.48Å; W305-L309 HydrophobicContact CZ3-CD1 3.64Å; W305-L309 WeakPolarHBondContact O-CG 3.24Å; W305-L309 PolarHBondContact O-N 3.2Å; M306-L309 HydrophobicContact SD-CD1 4.46Å; L309-L311 PolarHBondContact O-N 2.97Å; L309-G312 WeakPolarHBondContact O-CA 3.44Å; L309-G312 PolarHBondContact O-N 2.94Å; L309-V313 PolarHBondContact O-N 3.41Å
310I98.4Very high97Very high6 Ų619.7 Ų19.73%0.03110%0.103CC..Hα-helixtrans-61.3-42.8179.8-71.8163.7000111M306 E307 G312 V313 V314 I349 L352 L424 T427 S428 A431M306-I310 HydrophobicContact CG-CD1 3.84Å; M306-I310 HydrophobicContact CG-CG1 4.49Å; M306-I310 WeakPolarHBondContact O-CB 3.28Å; M306-I310 WeakPolarHBondContact O-CD1 3.37Å; M306-I310 VanDerWaalsContact O-CG1 3.22Å; M306-I310 WeakPolarHBondContact O-CG1 3.36Å; M306-I310 PolarHBondContact O-N 3.35Å; M306-I310 HydrophobicContact SD-CD1 4.24Å; M306-I310 HydrophobicContact SD-CG1 4.41Å; E307-I310 PolarHBondContact O-N 2.99Å; I310-G312 VanDerWaalsContact C-N 3.25Å; I310-G312 PolarHBondContact O-N 3.46Å; I310-V313 PolarHBondContact O-N 3.18Å; I310-V314 HydrophobicContact CG2-CG2 3.98Å; I310-V314 VanDerWaalsContact O-CB 3.24Å; I310-V314 WeakPolarHBondContact O-CB 3.49Å; I310-V314 WeakPolarHBondContact O-CG2 3.33Å; I310-V314 PolarHBondContact O-N 3.11Å; I310-I349 HydrophobicContact CG2-CG1 4.48Å; I310-L352 HydrophobicContact CG2-CD1 3.74Å; I310-L424 HydrophobicContact CB-CD1 4.14Å; I310-L424 HydrophobicContact CG2-CD1 3.74Å; I310-T427 HydrophobicContact CD1-CG2 4.18Å; I310-T427 HydrophobicContact CG2-CG2 4.45Å; I310-S428 VanDerWaalsContact CD1-CA 3.48Å; I310-A431 HydrophobicContact CD1-CB 3.95Å
311L98.1Very high96.8Very high1 Ų126.2 Ų26.21%0.00513%0.134CC..Hα-helixtrans-57.9-39.2172.8-80.9176.3000111.8E307 L309 Y315 Y356 F366 K370 A373 L424E307-L311 WeakPolarHBondContact O-CB 3.21Å; E307-L311 WeakPolarHBondContact O-CG 3.43Å; E307-L311 PolarHBondContact O-N 3.33Å; L309-L311 PolarHBondContact O-N 2.97Å; L311-Y315 VanDerWaalsContact O-CB 3.28Å; L311-Y315 WeakPolarHBondContact O-CB 3.43Å; L311-Y315 PolarHBondContact O-N 3.33Å; L311-Y356 HydrophobicContact CD2-CE2 4.09Å; L311-F366 HydrophobicContact CB-CE2 4.08Å; L311-F366 WeakPolarHBondContact O-CE2 3.48Å; L311-K370 HydrophobicContact CD1-CB 4.31Å; L311-A373 HydrophobicContact CD1-CB 4.12Å; L311-L424 HydrophobicContact CD1-CD2 3.62Å; L311-L424 HydrophobicContact CD2-CD1 4.18Å; L311-L424 HydrophobicContact CD2-CD2 3.94Å; L311-L424 HydrophobicContact CG-CD1 3.89Å; L311-L424 HydrophobicContact CG-CD2 3.61Å; L311-L424 HydrophobicContact CG-CG 4.41Å
312G98.1Very high96.7Very high8 Ų830.2 Ų30.28%0.08216%0.155CC..Hα-helixtrans-58-56.1173.600000112.6I308 L309 I310 V314 Y315 R316I308-G312 PolarHBondContact O-N 3.06Å; I308-G312 VanDerWaalsContact O-N 3.12Å; L309-G312 WeakPolarHBondContact O-CA 3.44Å; L309-G312 PolarHBondContact O-N 2.94Å; I310-G312 VanDerWaalsContact C-N 3.25Å; I310-G312 PolarHBondContact O-N 3.46Å; G312-V314 VanDerWaalsContact C-N 3.34Å; G312-V314 PolarHBondContact O-N 3.19Å; G312-Y315 PolarHBondContact O-N 3.12Å; G312-R316 WeakPolarHBondContact O-CG 3.45Å; G312-R316 PolarHBondContact O-N 3.18Å
313V98.5Very high96.9Very high9 Ų932 Ų326%0.05516%0.163CC..Hα-helixtrans-58.1-45.9176.9179.80000111.3L309 I310 Y315 R316 S317 L324 Y326 I349L309-V313 PolarHBondContact O-N 3.41Å; I310-V313 PolarHBondContact O-N 3.18Å; V313-Y315 PolarHBondContact O-N 2.72Å; V313-R316 PolarHBondContact O-N 2.84Å; V313-S317 WeakPolarHBondContact O-CB 3.4Å; V313-S317 PolarHBondContact O-N 3.07Å; V313-S317 PolarHBondContact O-OG 3.09Å; V313-L324 HydrophobicContact CG1-CB 4.3Å; V313-L324 HydrophobicContact CG1-CD2 4.46Å; V313-Y326 HydrophobicContact CG1-CD1 4.11Å; V313-Y326 HydrophobicContact CG1-CE1 4.24Å; V313-Y326 HydrophobicContact CG1-CG 4.47Å; V313-Y326 HydrophobicContact CG2-CD1 3.83Å; V313-Y326 HydrophobicContact CG2-CE1 4.32Å; V313-I349 HydrophobicContact CG1-CG2 4.39Å
314V98.4Very high97.1Very high1 Ų131.8 Ų31.81%0.00616%0.162CC..Hα-helixtrans-59.9-45.3179.3165.30000111.6I310 G312 S317 L318 I349 L352 V353 Y356I310-V314 HydrophobicContact CG2-CG2 3.98Å; I310-V314 VanDerWaalsContact O-CB 3.24Å; I310-V314 WeakPolarHBondContact O-CB 3.49Å; I310-V314 WeakPolarHBondContact O-CG2 3.33Å; I310-V314 PolarHBondContact O-N 3.11Å; G312-V314 VanDerWaalsContact C-N 3.34Å; G312-V314 PolarHBondContact O-N 3.19Å; V314-S317 PolarHBondContact O-N 3.36Å; V314-L318 WeakPolarHBondContact O-CG 3.35Å; V314-L318 PolarHBondContact O-N 3.31Å; V314-I349 HydrophobicContact CG2-CG2 3.62Å; V314-L352 HydrophobicContact CG1-CB 4.21Å; V314-L352 HydrophobicContact CG2-CB 3.74Å; V314-L352 HydrophobicContact CG2-CD1 4.32Å; V314-V353 HydrophobicContact CB-CG2 4.34Å; V314-V353 HydrophobicContact CG1-CG2 4.25Å; V314-V353 HydrophobicContact CG2-CG2 4.16Å; V314-Y356 HydrophobicContact CG1-CD2 3.48Å; V314-Y356 VanDerWaalsContact CG1-CD2 3.48Å; V314-Y356 HydrophobicContact CG1-CE2 3.97Å; V314-Y356 HydrophobicContact CG1-CG 4.47Å
315Y98.1Very high97.2Very high67 Ų6732 Ų3226%0.26316%0.163SC..Hα-helixtrans-68-41.2178.8-177.2-96.8000112.3L311 G312 V313 S317 L318 L361 K363 F366L311-Y315 VanDerWaalsContact O-CB 3.28Å; L311-Y315 WeakPolarHBondContact O-CB 3.43Å; L311-Y315 PolarHBondContact O-N 3.33Å; G312-Y315 PolarHBondContact O-N 3.12Å; V313-Y315 PolarHBondContact O-N 2.72Å; Y315-S317 PolarHBondContact O-N 2.72Å; Y315-L318 HydrophobicContact CD2-CD1 3.71Å; Y315-L318 HydrophobicContact CE2-CD1 4.13Å; Y315-L318 HydrophobicContact CG-CD1 4.44Å; Y315-L318 WeakPolarHBondContact O-CG 3.34Å; Y315-L318 PolarHBondContact O-N 2.97Å; Y315-L361 HydrophobicContact CD2-CD2 4.2Å; Y315-K363 WeakPolarHBondContact OH-CB 3.44Å; Y315-F366 AromaticContact CD1-CD1 3.89Å; Y315-F366 HydrophobicContact CD1-CD1 3.89Å; Y315-F366 AromaticContact CD1-CE1 3.94Å; Y315-F366 HydrophobicContact CD1-CE1 3.94Å; Y315-F366 HydrophobicContact CD1-CG 4.2Å; Y315-F366 HydrophobicContact CD1-CZ 4.28Å; Y315-F366 HydrophobicContact CD2-CB 3.45Å; Y315-F366 VanDerWaalsContact CD2-CB 3.45Å; Y315-F366 AromaticContact CD2-CD1 3.86Å; Y315-F366 HydrophobicContact CD2-CD1 3.86Å; Y315-F366 AromaticContact CD2-CD2 3.8Å; Y315-F366 HydrophobicContact CD2-CD2 3.8Å; Y315-F366 AromaticContact CD2-CG 3.41Å; Y315-F366 HydrophobicContact CD2-CG 3.41Å; Y315-F366 VanDerWaalsContact CD2-CG 3.41Å; Y315-F366 HydrophobicContact CE1-CD1 4.15Å; Y315-F366 HydrophobicContact CE1-CE1 4.44Å; Y315-F366 HydrophobicContact CE2-CB 3.66Å; Y315-F366 HydrophobicContact CE2-CD1 4.11Å; Y315-F366 AromaticContact CE2-CG 3.92Å; Y315-F366 HydrophobicContact CE2-CG 3.92Å; Y315-F366 HydrophobicContact CG-CB 4.16Å; Y315-F366 AromaticContact CG-CD1 3.76Å; Y315-F366 HydrophobicContact CG-CD1 3.76Å; Y315-F366 AromaticContact CG-CD2 3.7Å; Y315-F366 HydrophobicContact CG-CD2 3.7Å; Y315-F366 HydrophobicContact CG-CE1 4.04Å; Y315-F366 AromaticContact CG-CE2 3.99Å; Y315-F366 HydrophobicContact CG-CE2 3.99Å; Y315-F366 AromaticContact CG-CG 3.58Å; Y315-F366 HydrophobicContact CG-CG 3.58Å; Y315-F366 HydrophobicContact CG-CZ 4.15Å
316R97.7Very high97.2Very high52 Ų5232.9 Ų32.920%0.19617%0.167CC..Hα-helixtrans-58.6-35.3172.9-71.6-174.2-75.8-106.816.3112E275 G312 V313 V325 Y326E275-R316 IonicContact OE1-CZ 3.35Å; E275-R316 IonicContact OE1-NH1 3.7Å; E275-R316 PolarHBondContact OE1-NH1 3.14Å; E275-R316 IonicContact OE1-NH2 3.61Å; E275-R316 PolarHBondContact OE1-NH2 2.83Å; E275-R316 VanDerWaalsContact OE1-NH2 3.12Å; E275-R316 IonicContact OE2-CZ 3.18Å; E275-R316 IonicContact OE2-NH1 2.7Å; E275-R316 IonicContact OE2-NH2 3.98Å; E275-R316 PolarHBondContact OE2-NH2 3.03Å; G312-R316 WeakPolarHBondContact O-CG 3.45Å; G312-R316 PolarHBondContact O-N 3.18Å; V313-R316 PolarHBondContact O-N 2.84Å; R316-V325 HydrophobicContact CB-CB 3.84Å; R316-V325 HydrophobicContact CB-CG1 3.84Å; R316-V325 WeakPolarHBondContact CB-O 3.46Å; R316-V325 PolarHBondContact NE-O 3.47Å; R316-Y326 PolarHBondContact NE-O 2.86Å; R316-Y326 PolarHBondContact NH2-O 3.02Å
317S98.3Very high97.3Very high0 Ų032.6 Ų32.60%017%0.165CC..G310 helixtrans-84.5-7.2-174.4-49.70000115.3V313 V314 Y315 S319 F320 V325V313-S317 WeakPolarHBondContact O-CB 3.4Å; V313-S317 PolarHBondContact O-N 3.07Å; V313-S317 PolarHBondContact O-OG 3.09Å; V314-S317 PolarHBondContact O-N 3.36Å; Y315-S317 PolarHBondContact O-N 2.72Å; S317-S319 PolarHBondContact O-N 2.69Å; S317-F320 PolarHBondContact O-N 2.66Å; S317-V325 PolarHBondContact OG-N 3.08Å
318L97.6Very high97Very high25 Ų2536 Ų3613%0.13118%0.183CC..G310 helixtrans-59.1-26.1-173.4-65.8176.3000114.7V314 Y315 K357 L361V314-L318 WeakPolarHBondContact O-CG 3.35Å; V314-L318 PolarHBondContact O-N 3.31Å; Y315-L318 HydrophobicContact CD2-CD1 3.71Å; Y315-L318 HydrophobicContact CE2-CD1 4.13Å; Y315-L318 HydrophobicContact CG-CD1 4.44Å; Y315-L318 WeakPolarHBondContact O-CG 3.34Å; Y315-L318 PolarHBondContact O-N 2.97Å; L318-K357 HydrophobicContact CD2-CB 4.22Å; L318-K357 WeakPolarHBondContact O-CD 3.47Å; L318-K357 WeakPolarHBondContact O-CE 3.45Å; L318-L361 HydrophobicContact CD1-CB 4.13Å; L318-L361 HydrophobicContact CD1-CD2 4.4Å
319S94.8Very high97Very high108 Ų10838.6 Ų38.676%0.75520%0.197SC*.G310 helixtrans-84.9-8.8-179.6-58.70000114.4S317S317-S319 PolarHBondContact O-N 2.69Å
320F95.8Very high96.9Very high71 Ų7139.5 Ų39.531%0.31120%0.2SC..SBendtrans-106.5164.9-172.8-63.9-101.3000110.7S317 E323 V325 I331 K357S317-F320 PolarHBondContact O-N 2.66Å; F320-E323 HydrophobicContact CB-CB 4.36Å; F320-E323 WeakPolarHBondContact CD1-OE2 3.42Å; F320-V325 HydrophobicContact CD1-CG2 4.3Å; F320-V325 HydrophobicContact CD2-CG2 3.48Å; F320-V325 VanDerWaalsContact CD2-CG2 3.48Å; F320-V325 HydrophobicContact CE1-CG2 4.29Å; F320-V325 HydrophobicContact CE2-CG2 3.49Å; F320-V325 VanDerWaalsContact CE2-CG2 3.49Å; F320-V325 HydrophobicContact CG-CG2 3.92Å; F320-V325 HydrophobicContact CZ-CG2 3.91Å; F320-I331 HydrophobicContact CE1-CD1 3.8Å; F320-I331 HydrophobicContact CZ-CD1 4.1Å; F320-K357 PolarHBondContact O-NZ 3.08Å
321E92.5Very high96.9Very high137 Ų13742 Ų4264%0.6421%0.213SC*.SBendtrans-114.9117.8175.1-58-60.1165.300109.3E323 K357E321-E323 PolarHBondContact O-N 3.42Å; E321-K357 IonicContact OE1-NZ 2.83Å; E321-K357 PolarHBondContact OE1-NZ 3.39Å; E321-K357 IonicContact OE2-NZ 3.37Å; E321-K357 PolarHBondContact OE2-NZ 3.17Å
322D93.1Very high96.8Very high85 Ų8542 Ų4246%0.45521%0.213SC..SBendtrans58.66.8176.1-70.9-48.3000117.9L350 K354D322-L350 WeakPolarHBondContact O-CD1 3.34Å; D322-K354 WeakPolarHBondContact OD1-CE 3.45Å; D322-K354 IonicContact OD1-NZ 3.79Å; D322-K354 PolarHBondContact OD1-NZ 2.63Å; D322-K354 IonicContact OD2-NZ 2.7Å
323E97Very high96.7Very high74 Ų7444.5 Ų44.535%0.34622%0.224SC..  trans-101.3154.4169.8-61.4166.2132.300111.8F320 E321 I331 D333F320-E323 HydrophobicContact CB-CB 4.36Å; F320-E323 WeakPolarHBondContact CD1-OE2 3.42Å; E321-E323 PolarHBondContact O-N 3.42Å; E323-I331 HydrophobicContact CB-CG2 3.96Å; E323-D333 HydrophobicContact CG-CB 4.41Å
324L98.5Very high96.7Very high0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-114.5126.5171.7-68.8-175.6000112.7V313 Y326 I331 M332 N346 I349 L350 V353V313-L324 HydrophobicContact CG1-CB 4.3Å; V313-L324 HydrophobicContact CG1-CD2 4.46Å; L324-Y326 HydrophobicContact CB-CD2 4.27Å; L324-Y326 HydrophobicContact CB-CE2 3.83Å; L324-Y326 HydrophobicContact CD1-CE2 4.36Å; L324-Y326 PolarHBondContact O-N 3.02Å; L324-I331 CarbonylContact O-C 3.59Å; L324-I331 WeakPolarHBondContact O-CA 3.42Å; L324-M332 PolarHBondContact N-O 3.27Å; L324-M332 PolarHBondContact O-N 2.66Å; L324-N346 HydrophobicContact CD1-CB 4.35Å; L324-N346 WeakPolarHBondContact CD1-OD1 3.49Å; L324-N346 VanDerWaalsContact CG-OD1 3.22Å; L324-N346 WeakPolarHBondContact CG-OD1 3.42Å; L324-I349 HydrophobicContact CD1-CB 3.75Å; L324-I349 HydrophobicContact CD1-CD1 4.1Å; L324-I349 HydrophobicContact CD1-CG2 3.76Å; L324-I349 HydrophobicContact CD2-CB 4.3Å; L324-I349 HydrophobicContact CD2-CG2 3.66Å; L324-I349 HydrophobicContact CG-CG2 4.41Å; L324-L350 HydrophobicContact CD2-CD2 3.66Å; L324-L350 HydrophobicContact CD2-CG 4.03Å; L324-L350 HydrophobicContact CG-CD2 4.14Å; L324-L350 HydrophobicContact CG-CG 4.24Å; L324-V353 HydrophobicContact CD2-CG2 3.87Å
325V98.2Very high96.6Very high5 Ų554.3 Ų54.33%0.0327%0.273CS..EExtended strand (participates in β ladder)trans-95.287.4179.4-174.90000109.6R316 S317 F320 A327 I331R316-V325 HydrophobicContact CB-CB 3.84Å; R316-V325 HydrophobicContact CB-CG1 3.84Å; R316-V325 WeakPolarHBondContact CB-O 3.46Å; R316-V325 PolarHBondContact NE-O 3.47Å; S317-V325 PolarHBondContact OG-N 3.08Å; F320-V325 HydrophobicContact CD1-CG2 4.3Å; F320-V325 HydrophobicContact CD2-CG2 3.48Å; F320-V325 VanDerWaalsContact CD2-CG2 3.48Å; F320-V325 HydrophobicContact CE1-CG2 4.29Å; F320-V325 HydrophobicContact CE2-CG2 3.49Å; F320-V325 VanDerWaalsContact CE2-CG2 3.49Å; F320-V325 HydrophobicContact CG-CG2 3.92Å; F320-V325 HydrophobicContact CZ-CG2 3.91Å; V325-A327 WeakPolarHBondContact CG1-O 3.34Å; V325-I331 HydrophobicContact CG1-CG1 4.28Å; V325-I331 HydrophobicContact CG2-CD1 4.29Å; V325-I331 HydrophobicContact CG2-CG1 4.16Å; V325-I331 HydrophobicContact CG2-CG2 4.32Å
326Y98.2Very high96.5Very high19 Ų1955.2 Ų55.28%0.07528%0.279CS..EExtended strand (participates in β ladder)trans-67.8-39.6175.4-70.8-84000111.2L268 V313 R316 L324 Y330 M332L268-Y326 HydrophobicContact CD2-CD1 3.39Å; L268-Y326 HydrophobicContact CD2-CD2 4.07Å; L268-Y326 HydrophobicContact CD2-CE1 3.83Å; L268-Y326 HydrophobicContact CD2-CE2 4.44Å; L268-Y326 HydrophobicContact CD2-CG 3.51Å; V313-Y326 HydrophobicContact CG1-CD1 4.11Å; V313-Y326 HydrophobicContact CG1-CE1 4.24Å; V313-Y326 HydrophobicContact CG1-CG 4.47Å; V313-Y326 HydrophobicContact CG2-CD1 3.83Å; V313-Y326 HydrophobicContact CG2-CE1 4.32Å; R316-Y326 PolarHBondContact NE-O 2.86Å; R316-Y326 PolarHBondContact NH2-O 3.02Å; L324-Y326 HydrophobicContact CB-CD2 4.27Å; L324-Y326 HydrophobicContact CB-CE2 3.83Å; L324-Y326 HydrophobicContact CD1-CE2 4.36Å; L324-Y326 PolarHBondContact O-N 3.02Å; Y326-Y330 PolarHBondContact N-O 2.91Å; Y326-M332 HydrophobicContact CD2-CB 4.25Å; Y326-M332 HydrophobicContact CD2-CG 3.91Å; Y326-M332 HydrophobicContact CD2-SD 3.86Å; Y326-M332 HydrophobicContact CE2-CB 3.98Å; Y326-M332 HydrophobicContact CE2-CG 3.91Å; Y326-M332 HydrophobicContact CE2-SD 3.55Å; Y326-M332 VanDerWaalsContact CE2-SD 3.55Å
327A97.6Very high96.4Very high1 Ų152.7 Ų52.71%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-146169.916800000110.7A251 L271 V325 D329 Y330A251-A327 HydrophobicContact CB-CB 3.86Å; L271-A327 HydrophobicContact CD2-CB 4.13Å; V325-A327 WeakPolarHBondContact CG1-O 3.34Å; A327-D329 WeakPolarHBondContact CB-OD1 3.38Å; A327-D329 PolarHBondContact O-N 2.84Å; A327-D329 VanDerWaalsContact O-N 3.14Å; A327-Y330 PolarHBondContact N-O 3.22Å; A327-Y330 CarbonylContact O-C 3.52Å; A327-Y330 PolarHBondContact O-N 2.76Å; A327-Y330 VanDerWaalsContact O-O 3.1Å
328D93.3Very high96.3Very high71 Ų7158.3 Ų58.338%0.3829%0.294SS..THydrogen-bonded Turntrans-60.3-22.9177.6-8828.5000113.3K248 Y250K248-D328 VanDerWaalsContact CD-CG 3.5Å; K248-D328 WeakPolarHBondContact CD-OD1 3.45Å; K248-D328 VanDerWaalsContact CD-OD2 3.23Å; K248-D328 WeakPolarHBondContact CD-OD2 3.44Å; K248-D328 WeakPolarHBondContact CE-OD2 3.49Å; K248-D328 IonicContact NZ-OD1 3.07Å; K248-D328 PolarHBondContact NZ-OD1 3.41Å; K248-D328 IonicContact NZ-OD2 3.71Å; K248-D328 PolarHBondContact NZ-OD2 3.13Å; Y250-D328 HydrophobicContact CD1-CB 4.15Å; Y250-D328 HydrophobicContact CE1-CB 3.77Å
329D96Very high96.2Very high56 Ų5662 Ų6230%0.29931%0.313SS..THydrogen-bonded Turntrans-1082.1176.964.9-43.5000113.6Y250 A251 M252 P253 A327Y250-D329 VanDerWaalsContact CA-OD1 3.24Å; Y250-D329 WeakPolarHBondContact CA-OD1 3.23Å; Y250-D329 WeakPolarHBondContact CB-OD1 3.37Å; Y250-D329 HydrophobicContact CD1-CB 4.01Å; A251-D329 PolarHBondContact N-OD1 3.13Å; A251-D329 PolarHBondContact N-OD2 2.93Å; M252-D329 WeakPolarHBondContact CA-OD2 3.31Å; M252-D329 PolarHBondContact N-OD2 3.45Å; P253-D329 WeakPolarHBondContact CD-OD2 3.26Å; A327-D329 WeakPolarHBondContact CB-OD1 3.38Å; A327-D329 PolarHBondContact O-N 2.84Å; A327-D329 VanDerWaalsContact O-N 3.14Å
330Y97.3Very high96.2Very high34 Ų3457 Ų5713%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-141.997.9-178-160.9-116.4000111.7A251 P253 A264 T267 L268 Y326 A327 M332A251-Y330 VanDerWaalsContact CB-CB 3.45Å; A251-Y330 HydrophobicContact CB-CD1 4.4Å; A251-Y330 HydrophobicContact CB-CG 3.99Å; P253-Y330 HydrophobicContact CB-CD2 4.33Å; P253-Y330 HydrophobicContact CB-CE2 4.41Å; P253-Y330 HydrophobicContact CG-CD2 4.08Å; A264-Y330 WeakPolarHBondContact CA-OH 3.25Å; A264-Y330 WeakPolarHBondContact CB-OH 3.39Å; T267-Y330 HydrophobicContact CG2-CD1 4.1Å; T267-Y330 HydrophobicContact CG2-CD2 4.26Å; T267-Y330 HydrophobicContact CG2-CE1 4Å; T267-Y330 HydrophobicContact CG2-CE2 4.16Å; T267-Y330 HydrophobicContact CG2-CG 4.25Å; L268-Y330 HydrophobicContact CD2-CD1 4.14Å; L268-Y330 HydrophobicContact CD2-CE1 3.85Å; L268-Y330 HydrophobicContact CG-CE1 4.04Å; Y326-Y330 PolarHBondContact N-O 2.91Å; A327-Y330 PolarHBondContact N-O 3.22Å; A327-Y330 CarbonylContact O-C 3.52Å; A327-Y330 PolarHBondContact O-N 2.76Å; A327-Y330 VanDerWaalsContact O-O 3.1Å; Y330-M332 HydrophobicContact CE1-CG 4.07Å; Y330-M332 HydrophobicContact CE1-SD 3.83Å
331I97.4Very high96.2Very high57 Ų5756 Ų5629%0.29229%0.288SS..EExtended strand (participates in β ladder)trans-111.5142176.7-52.6-179.5000107.2F320 E323 L324 V325 Q336F320-I331 HydrophobicContact CE1-CD1 3.8Å; F320-I331 HydrophobicContact CZ-CD1 4.1Å; E323-I331 HydrophobicContact CB-CG2 3.96Å; L324-I331 CarbonylContact O-C 3.59Å; L324-I331 WeakPolarHBondContact O-CA 3.42Å; V325-I331 HydrophobicContact CG1-CG1 4.28Å; V325-I331 HydrophobicContact CG2-CD1 4.29Å; V325-I331 HydrophobicContact CG2-CG1 4.16Å; V325-I331 HydrophobicContact CG2-CG2 4.32Å; I331-Q336 PolarHBondContact O-OE1 3.17Å
332M97.3Very high96.4Very high2 Ų249.5 Ų49.51%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-123.9128.6174.9-63.1-177.369.800111.3L268 L324 Y326 Y330 Q336 A340 L342L268-M332 HydrophobicContact CD1-SD 4.1Å; L324-M332 PolarHBondContact N-O 3.27Å; L324-M332 PolarHBondContact O-N 2.66Å; Y326-M332 HydrophobicContact CD2-CB 4.25Å; Y326-M332 HydrophobicContact CD2-CG 3.91Å; Y326-M332 HydrophobicContact CD2-SD 3.86Å; Y326-M332 HydrophobicContact CE2-CB 3.98Å; Y326-M332 HydrophobicContact CE2-CG 3.91Å; Y326-M332 HydrophobicContact CE2-SD 3.55Å; Y326-M332 VanDerWaalsContact CE2-SD 3.55Å; Y330-M332 HydrophobicContact CE1-CG 4.07Å; Y330-M332 HydrophobicContact CE1-SD 3.83Å; M332-Q336 VanDerWaalsContact CA-OE1 3.29Å; M332-Q336 HydrophobicContact CB-CB 4.35Å; M332-Q336 HydrophobicContact CE-CB 4.23Å; M332-Q336 WeakPolarHBondContact CE-O 3.44Å; M332-A340 HydrophobicContact CE-CB 3.88Å; M332-L342 HydrophobicContact CE-CD1 4.26Å
333D96.4Very high96.5Very high61 Ų6147.6 Ų47.633%0.32625%0.247SC..  trans-85.8-173.8168.668.933.9000112.4E323 D335 Q336 S337E323-D333 HydrophobicContact CG-CB 4.41Å; D333-D335 WeakPolarHBondContact OD1-CA 3.28Å; D333-D335 PolarHBondContact OD1-N 3.33Å; D333-Q336 WeakPolarHBondContact OD1-CB 3.47Å; D333-Q336 WeakPolarHBondContact OD1-CG 3.32Å; D333-Q336 PolarHBondContact OD1-N 3.32Å; D333-S337 WeakPolarHBondContact O-CB 3.4Å; D333-S337 PolarHBondContact O-N 3.02Å; D333-S337 PolarHBondContact O-OG 2.68Å
334E96.5Very high96.5Very high112 Ų11249.1 Ų49.152%0.52326%0.258SS..Hα-helixtrans-65-41.6178.4-164.9-173.3150.500112.9S337 K338 L343E334-S337 PolarHBondContact O-N 2.71Å; E334-K338 WeakPolarHBondContact O-CB 3.36Å; E334-K338 PolarHBondContact O-N 3.04Å; E334-L343 HydrophobicContact CG-CD1 3.45Å; E334-L343 VanDerWaalsContact CG-CD1 3.45Å
335D96.4Very high96.5Very high104 Ų10449.4 Ų49.456%0.55626%0.26SS*.Hα-helixtrans-76-34.7-176.6-90.1-37.6000111.8D333 K338 L339D333-D335 WeakPolarHBondContact OD1-CA 3.28Å; D333-D335 PolarHBondContact OD1-N 3.33Å; D335-K338 PolarHBondContact O-N 2.59Å; D335-K338 IonicContact OD1-NZ 2.66Å; D335-K338 PolarHBondContact OD1-NZ 2.94Å; D335-L339 WeakPolarHBondContact O-CB 3.37Å; D335-L339 PolarHBondContact O-N 2.83Å
336Q95.9Very high96.4Very high85 Ų8549.2 Ų49.240%0.39726%0.259SS..Hα-helixtrans-65.7-43169.1-67.6174.7-49.300111.3I331 M332 D333 K338 L339 A340I331-Q336 PolarHBondContact O-OE1 3.17Å; M332-Q336 VanDerWaalsContact CA-OE1 3.29Å; M332-Q336 HydrophobicContact CB-CB 4.35Å; M332-Q336 HydrophobicContact CE-CB 4.23Å; M332-Q336 WeakPolarHBondContact CE-O 3.44Å; D333-Q336 WeakPolarHBondContact OD1-CB 3.47Å; D333-Q336 WeakPolarHBondContact OD1-CG 3.32Å; D333-Q336 PolarHBondContact OD1-N 3.32Å; Q336-K338 VanDerWaalsContact C-N 3.28Å; Q336-K338 PolarHBondContact O-N 2.92Å; Q336-L339 PolarHBondContact O-N 3.35Å; Q336-A340 WeakPolarHBondContact O-CB 3.38Å; Q336-A340 PolarHBondContact O-N 3.05Å
337S96.7Very high96.4Very high0 Ų051.5 Ų51.50%027%0.272CS..Hα-helixtrans-62.1-37.4174.3-64.10000112D333 E334 G341 L342 L343 N346D333-S337 WeakPolarHBondContact O-CB 3.4Å; D333-S337 PolarHBondContact O-N 3.02Å; D333-S337 PolarHBondContact O-OG 2.68Å; E334-S337 PolarHBondContact O-N 2.71Å; S337-G341 PolarHBondContact O-N 2.83Å; S337-L342 CarbonylContact O-C 3.57Å; S337-L342 WeakPolarHBondContact O-CA 3.08Å; S337-L342 PolarHBondContact O-N 3.47Å; S337-L343 PolarHBondContact O-N 2.83Å; S337-N346 VanDerWaalsContact OG-CG 3.28Å; S337-N346 PolarHBondContact OG-OD1 3.27Å
338K96.7Very high96.4Very high118 Ų11852 Ų5251%0.51328%0.276SS..Hα-helixtrans-72.4-39.9176.7176.5177.4158.2-156.20112.7E334 D335 Q336 A340 G341 L343E334-K338 WeakPolarHBondContact O-CB 3.36Å; E334-K338 PolarHBondContact O-N 3.04Å; D335-K338 PolarHBondContact O-N 2.59Å; D335-K338 IonicContact OD1-NZ 2.66Å; D335-K338 PolarHBondContact OD1-NZ 2.94Å; Q336-K338 VanDerWaalsContact C-N 3.28Å; Q336-K338 PolarHBondContact O-N 2.92Å; K338-A340 VanDerWaalsContact C-N 3.29Å; K338-A340 PolarHBondContact O-N 2.71Å; K338-G341 PolarHBondContact O-N 3.34Å; K338-L343 HydrophobicContact CB-CB 4.23Å; K338-L343 HydrophobicContact CB-CD2 4.21Å; K338-L343 HydrophobicContact CD-CD2 4.36Å; K338-L343 HydrophobicContact CG-CD2 4.26Å
339L95.1Very high96.7Very high101 Ų10148.9 Ų48.953%0.52926%0.259SS..Hα-helixtrans-59.5-40.6171.4178.963.5000111.2D335 Q336 G341D335-L339 WeakPolarHBondContact O-CB 3.37Å; D335-L339 PolarHBondContact O-N 2.83Å; Q336-L339 PolarHBondContact O-N 3.35Å; L339-G341 VanDerWaalsContact C-N 3.29Å; L339-G341 PolarHBondContact O-N 3.07Å
340A95Very high96.8Very high4 Ų446.6 Ų46.63%0.03325%0.247CC..THydrogen-bonded Turntrans-79.91.2178.700000115.1A264 M332 Q336 K338 L342A264-A340 HydrophobicContact CB-CB 3.75Å; M332-A340 HydrophobicContact CE-CB 3.88Å; Q336-A340 WeakPolarHBondContact O-CB 3.38Å; Q336-A340 PolarHBondContact O-N 3.05Å; K338-A340 VanDerWaalsContact C-N 3.29Å; K338-A340 PolarHBondContact O-N 2.71Å; A340-L342 HydrophobicContact CB-CB 4.38Å; A340-L342 HydrophobicContact CB-CD1 3.86Å; A340-L342 HydrophobicContact CB-CG 4.12Å; A340-L342 PolarHBondContact O-N 3.25Å
341G95.1Very high96.8Very high49 Ų4950.3 Ų50.351%0.50527%0.265SS..THydrogen-bonded Turntrans70.44-173.700000115S337 K338 L339 H434S337-G341 PolarHBondContact O-N 2.83Å; K338-G341 PolarHBondContact O-N 3.34Å; L339-G341 VanDerWaalsContact C-N 3.29Å; L339-G341 PolarHBondContact O-N 3.07Å; G341-H434 PolarHBondContact O-CE1 2.99Å
342L96.3Very high96.8Very high1 Ų147.6 Ų47.61%0.00525%0.252CS..  trans-89.9-6.8-174.2-71.8169.8000114.7L265 L268 M332 S337 A340 D344 L345 N346 H434L265-L342 HydrophobicContact CD2-CD1 3.9Å; L265-L342 HydrophobicContact CD2-CD2 4.13Å; L265-L342 HydrophobicContact CD2-CG 3.98Å; L268-L342 HydrophobicContact CD1-CD1 3.36Å; M332-L342 HydrophobicContact CE-CD1 4.26Å; S337-L342 CarbonylContact O-C 3.57Å; S337-L342 WeakPolarHBondContact O-CA 3.08Å; S337-L342 PolarHBondContact O-N 3.47Å; A340-L342 HydrophobicContact CB-CB 4.38Å; A340-L342 HydrophobicContact CB-CD1 3.86Å; A340-L342 HydrophobicContact CB-CG 4.12Å; A340-L342 PolarHBondContact O-N 3.25Å; L342-D344 PolarHBondContact O-N 2.9Å; L342-L345 HydrophobicContact CD2-CD2 4.14Å; L342-L345 CarbonylContact O-C 3.44Å; L342-L345 WeakPolarHBondContact O-CA 3.35Å; L342-L345 WeakPolarHBondContact O-CB 3.29Å; L342-L345 PolarHBondContact O-N 3.34Å; L342-N346 PolarHBondContact O-N 2.83Å; L342-H434 WeakPolarHBondContact CD2-NE2 3.42Å
343L96.7Very high96.9Very high45 Ų4547.8 Ų47.824%0.23625%0.253CS..Hα-helixtrans-44.4-40.8-177.4177.360.8000113.4E334 S337 K338 L345 N346 N347E334-L343 HydrophobicContact CG-CD1 3.45Å; E334-L343 VanDerWaalsContact CG-CD1 3.45Å; S337-L343 PolarHBondContact O-N 2.83Å; K338-L343 HydrophobicContact CB-CB 4.23Å; K338-L343 HydrophobicContact CB-CD2 4.21Å; K338-L343 HydrophobicContact CD-CD2 4.36Å; K338-L343 HydrophobicContact CG-CD2 4.26Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.44Å; L343-N346 WeakPolarHBondContact O-CB 3.21Å; L343-N346 PolarHBondContact O-N 2.97Å; L343-N347 WeakPolarHBondContact O-CB 3.46Å; L343-N347 VanDerWaalsContact O-CG 3.31Å; L343-N347 PolarHBondContact O-N 3.12Å; L343-N347 PolarHBondContact O-ND2 2.84Å; L343-N347 VanDerWaalsContact O-ND2 3.13Å
344D96.7Very high96.9Very high107 Ų10750.1 Ų50.157%0.57226%0.26SS*.Hα-helixtrans-73.3-25.6-176.9-14552.3000113L342 K430L342-D344 PolarHBondContact O-N 2.9Å; D344-K430 VanDerWaalsContact CG-NZ 3.3Å; D344-K430 WeakPolarHBondContact O-CE 3.27Å; D344-K430 PolarHBondContact O-NZ 3.12Å; D344-K430 IonicContact OD1-NZ 2.78Å; D344-K430 WeakPolarHBondContact OD2-CE 3.27Å; D344-K430 IonicContact OD2-NZ 2.6Å; D344-K430 PolarHBondContact OD2-NZ 2.82Å
345L97.1Very high97Very high6 Ų649 Ų493%0.03125%0.253CS..Hα-helixtrans-85.4-41.5170.1176.958.3000111.4L342 L343 N347 A348 I349 T427 A431L342-L345 HydrophobicContact CD2-CD2 4.14Å; L342-L345 CarbonylContact O-C 3.44Å; L342-L345 WeakPolarHBondContact O-CA 3.35Å; L342-L345 WeakPolarHBondContact O-CB 3.29Å; L342-L345 PolarHBondContact O-N 3.34Å; L343-L345 VanDerWaalsContact C-N 3.34Å; L343-L345 PolarHBondContact O-N 3.44Å; L345-N347 VanDerWaalsContact C-N 3.28Å; L345-N347 PolarHBondContact O-N 3.47Å; L345-A348 WeakPolarHBondContact O-CA 3.48Å; L345-A348 WeakPolarHBondContact O-CB 3.12Å; L345-A348 PolarHBondContact O-N 3.15Å; L345-I349 HydrophobicContact CD1-CD1 4.1Å; L345-I349 HydrophobicContact CD1-CG1 4.15Å; L345-I349 HydrophobicContact CG-CD1 3.96Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 PolarHBondContact O-N 3.29Å; L345-T427 HydrophobicContact CD1-CG2 4.21Å; L345-A431 HydrophobicContact CD1-CB 3.85Å; L345-A431 HydrophobicContact CD2-CB 3.98Å
346N97.8Very high97Very high1 Ų144 Ų441%0.00523%0.227CC..Hα-helixtrans-49.6-50.5173.2-179.563000110.8L324 S337 L342 L343 A348 I349 L350L324-N346 HydrophobicContact CD1-CB 4.35Å; L324-N346 WeakPolarHBondContact CD1-OD1 3.49Å; L324-N346 VanDerWaalsContact CG-OD1 3.22Å; L324-N346 WeakPolarHBondContact CG-OD1 3.42Å; S337-N346 VanDerWaalsContact OG-CG 3.28Å; S337-N346 PolarHBondContact OG-OD1 3.27Å; L342-N346 PolarHBondContact O-N 2.83Å; L343-N346 WeakPolarHBondContact O-CB 3.21Å; L343-N346 PolarHBondContact O-N 2.97Å; N346-A348 VanDerWaalsContact C-N 3.26Å; N346-A348 PolarHBondContact O-N 3.44Å; N346-I349 PolarHBondContact O-N 3.19Å; N346-L350 WeakPolarHBondContact ND2-CD1 3.3Å; N346-L350 WeakPolarHBondContact O-CB 3.46Å; N346-L350 WeakPolarHBondContact O-CG 3.17Å; N346-L350 PolarHBondContact O-N 3.45Å
347N97.6Very high97.1Very high67 Ų6742.9 Ų42.936%0.35822%0.221SC..Hα-helixtrans-63-25.3177.2-75.3-33000114.5L343 L345 Q351L343-N347 WeakPolarHBondContact O-CB 3.46Å; L343-N347 VanDerWaalsContact O-CG 3.31Å; L343-N347 PolarHBondContact O-N 3.12Å; L343-N347 PolarHBondContact O-ND2 2.84Å; L343-N347 VanDerWaalsContact O-ND2 3.13Å; L345-N347 VanDerWaalsContact C-N 3.28Å; L345-N347 PolarHBondContact O-N 3.47Å; N347-Q351 WeakPolarHBondContact O-CG 3.39Å; N347-Q351 PolarHBondContact O-NE2 3.43Å
348A98Very high97Very high11 Ų1147.2 Ų47.29%0.09125%0.251CS..Hα-helixtrans-82.9-34.4175.600000112.2L345 N346 T427 K430L345-A348 WeakPolarHBondContact O-CA 3.48Å; L345-A348 WeakPolarHBondContact O-CB 3.12Å; L345-A348 PolarHBondContact O-N 3.15Å; N346-A348 VanDerWaalsContact C-N 3.26Å; N346-A348 PolarHBondContact O-N 3.44Å; A348-T427 HydrophobicContact CB-CG2 3.88Å; A348-T427 PolarHBondContact O-OG1 2.93Å; A348-K430 HydrophobicContact CB-CD 4.29Å
349I98.5Very high96.9Very high6 Ų642.8 Ų42.83%0.03123%0.233CC..Hα-helixtrans-72.6-40.8173.4-60.2171.9000110.2I310 V313 V314 L324 L345 N346 Q351 L352 V353 T427I310-I349 HydrophobicContact CG2-CG1 4.48Å; V313-I349 HydrophobicContact CG1-CG2 4.39Å; V314-I349 HydrophobicContact CG2-CG2 3.62Å; L324-I349 HydrophobicContact CD1-CB 3.75Å; L324-I349 HydrophobicContact CD1-CD1 4.1Å; L324-I349 HydrophobicContact CD1-CG2 3.76Å; L324-I349 HydrophobicContact CD2-CB 4.3Å; L324-I349 HydrophobicContact CD2-CG2 3.66Å; L324-I349 HydrophobicContact CG-CG2 4.41Å; L345-I349 HydrophobicContact CD1-CD1 4.1Å; L345-I349 HydrophobicContact CD1-CG1 4.15Å; L345-I349 HydrophobicContact CG-CD1 3.96Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 PolarHBondContact O-N 3.29Å; N346-I349 PolarHBondContact O-N 3.19Å; I349-Q351 PolarHBondContact O-N 3.27Å; I349-L352 WeakPolarHBondContact O-CA 3.3Å; I349-L352 WeakPolarHBondContact O-CB 3.23Å; I349-L352 PolarHBondContact O-N 2.87Å; I349-V353 PolarHBondContact O-N 2.96Å; I349-T427 HydrophobicContact CG1-CG2 3.66Å
350L98.1Very high96.9Very high8 Ų846.1 Ų46.14%0.04224%0.243CC..Hα-helixtrans-61-27175.5-75.7175000113.4D322 L324 N346 V353 K354D322-L350 WeakPolarHBondContact O-CD1 3.34Å; L324-L350 HydrophobicContact CD2-CD2 3.66Å; L324-L350 HydrophobicContact CD2-CG 4.03Å; L324-L350 HydrophobicContact CG-CD2 4.14Å; L324-L350 HydrophobicContact CG-CG 4.24Å; N346-L350 WeakPolarHBondContact ND2-CD1 3.3Å; N346-L350 WeakPolarHBondContact O-CB 3.46Å; N346-L350 WeakPolarHBondContact O-CG 3.17Å; N346-L350 PolarHBondContact O-N 3.45Å; L350-V353 PolarHBondContact O-N 2.93Å; L350-K354 WeakPolarHBondContact O-CB 3.49Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.33Å; L350-K354 PolarHBondContact O-N 3.27Å
351Q97.7Very high97Very high111 Ų11146.7 Ų46.752%0.51925%0.245SC..Hα-helixtrans-65.6-38.9170.6-75.3172.252.300112.2N347 I349 K355N347-Q351 WeakPolarHBondContact O-CG 3.39Å; N347-Q351 PolarHBondContact O-NE2 3.43Å; I349-Q351 PolarHBondContact O-N 3.27Å; Q351-K355 VanDerWaalsContact O-CB 3.28Å; Q351-K355 WeakPolarHBondContact O-CB 3.49Å; Q351-K355 PolarHBondContact O-N 3.17Å
352L97.9Very high97Very high0 Ų047.7 Ų47.70%024%0.237CC..Hα-helixtrans-67-45.2172.1-70.4163.4000111I310 V314 I349 K354 K355 Y356 L423 L424 T427I310-L352 HydrophobicContact CG2-CD1 3.74Å; V314-L352 HydrophobicContact CG1-CB 4.21Å; V314-L352 HydrophobicContact CG2-CB 3.74Å; V314-L352 HydrophobicContact CG2-CD1 4.32Å; I349-L352 WeakPolarHBondContact O-CA 3.3Å; I349-L352 WeakPolarHBondContact O-CB 3.23Å; I349-L352 PolarHBondContact O-N 2.87Å; L352-K354 PolarHBondContact O-N 2.72Å; L352-K355 WeakPolarHBondContact O-CB 3.37Å; L352-K355 PolarHBondContact O-N 2.77Å; L352-K355 VanDerWaalsContact O-N 3.17Å; L352-Y356 HydrophobicContact CB-CD2 4.39Å; L352-Y356 HydrophobicContact CB-CE2 4.3Å; L352-Y356 HydrophobicContact CD2-CE2 4.06Å; L352-Y356 WeakPolarHBondContact O-CD2 3.4Å; L352-Y356 PolarHBondContact O-N 3.28Å; L352-L423 HydrophobicContact CD2-CB 4.09Å; L352-L423 HydrophobicContact CD2-CD2 3.89Å; L352-L423 HydrophobicContact CD2-CG 3.75Å; L352-L423 HydrophobicContact CG-CD2 4.35Å; L352-L423 HydrophobicContact CG-CG 4.21Å; L352-L424 HydrophobicContact CD1-CD1 4.08Å; L352-L424 HydrophobicContact CD2-CB 4.38Å; L352-T427 HydrophobicContact CD1-CG2 4.11Å
353V98.4Very high97Very high6 Ų651.7 Ų51.74%0.03625%0.254CS..Hα-helixtrans-54.5-53.5175.2178.80000110.4V314 L324 I349 L350 K355 Y356 K357V314-V353 HydrophobicContact CB-CG2 4.34Å; V314-V353 HydrophobicContact CG1-CG2 4.25Å; V314-V353 HydrophobicContact CG2-CG2 4.16Å; L324-V353 HydrophobicContact CD2-CG2 3.87Å; I349-V353 PolarHBondContact O-N 2.96Å; L350-V353 PolarHBondContact O-N 2.93Å; V353-K355 VanDerWaalsContact C-N 3.3Å; V353-K355 PolarHBondContact O-N 3.11Å; V353-Y356 PolarHBondContact O-N 3.03Å; V353-K357 WeakPolarHBondContact O-CB 3.43Å; V353-K357 PolarHBondContact O-N 3.34Å
354K97.7Very high96.9Very high110 Ų11051.4 Ų51.448%0.47825%0.252SS..Hα-helixtrans-59.9-38.5178.8-71.8169.3-178179.60112.1D322 L350 L352 S358D322-K354 WeakPolarHBondContact OD1-CE 3.45Å; D322-K354 IonicContact OD1-NZ 3.79Å; D322-K354 PolarHBondContact OD1-NZ 2.63Å; D322-K354 IonicContact OD2-NZ 2.7Å; L350-K354 WeakPolarHBondContact O-CB 3.49Å; L350-K354 VanDerWaalsContact O-CG 3.26Å; L350-K354 WeakPolarHBondContact O-CG 3.33Å; L350-K354 PolarHBondContact O-N 3.27Å; L352-K354 PolarHBondContact O-N 2.72Å; K354-S358 WeakPolarHBondContact O-CB 3.23Å; K354-S358 PolarHBondContact O-N 3.25Å
355K97.2Very high96.9Very high88 Ų8846.3 Ų46.338%0.38322%0.224SC..Hα-helixtrans-62.8-55.5175.6178.660.6174.3-176.30111.9Q351 L352 V353 S358 M359 T420Q351-K355 VanDerWaalsContact O-CB 3.28Å; Q351-K355 WeakPolarHBondContact O-CB 3.49Å; Q351-K355 PolarHBondContact O-N 3.17Å; L352-K355 WeakPolarHBondContact O-CB 3.37Å; L352-K355 PolarHBondContact O-N 2.77Å; L352-K355 VanDerWaalsContact O-N 3.17Å; V353-K355 VanDerWaalsContact C-N 3.3Å; V353-K355 PolarHBondContact O-N 3.11Å; K355-S358 PolarHBondContact O-N 3.15Å; K355-S358 PolarHBondContact O-OG 2.89Å; K355-M359 HydrophobicContact CD-SD 4.38Å; K355-M359 PolarHBondContact O-N 3.09Å; K355-T420 HydrophobicContact CD-CG2 4.48Å; K355-T420 HydrophobicContact CG-CG2 3.9Å
356Y97.7Very high97Very high0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-70.3-34.1-178.4-69.4-64.5000112.9L311 V314 L352 V353 S358 M359 K360 L361 L369 T420L311-Y356 HydrophobicContact CD2-CE2 4.09Å; V314-Y356 HydrophobicContact CG1-CD2 3.48Å; V314-Y356 VanDerWaalsContact CG1-CD2 3.48Å; V314-Y356 HydrophobicContact CG1-CE2 3.97Å; V314-Y356 HydrophobicContact CG1-CG 4.47Å; L352-Y356 HydrophobicContact CB-CD2 4.39Å; L352-Y356 HydrophobicContact CB-CE2 4.3Å; L352-Y356 HydrophobicContact CD2-CE2 4.06Å; L352-Y356 WeakPolarHBondContact O-CD2 3.4Å; L352-Y356 PolarHBondContact O-N 3.28Å; V353-Y356 PolarHBondContact O-N 3.03Å; Y356-S358 PolarHBondContact O-N 3.44Å; Y356-M359 CarbonylContact O-C 3.58Å; Y356-M359 PolarHBondContact O-N 3.09Å; Y356-M359 VanDerWaalsContact O-N 3.08Å; Y356-K360 PolarHBondContact O-N 3.17Å; Y356-L361 HydrophobicContact CD1-CB 4.49Å; Y356-L361 HydrophobicContact CD1-CD1 4.06Å; Y356-L361 HydrophobicContact CD1-CD2 3.86Å; Y356-L361 HydrophobicContact CD1-CG 4.38Å; Y356-L361 HydrophobicContact CE1-CD2 4.44Å; Y356-L361 HydrophobicContact CG-CD2 3.99Å; Y356-L361 PolarHBondContact O-N 2.93Å; Y356-L369 HydrophobicContact CE1-CD1 3.72Å; Y356-T420 HydrophobicContact CE1-CG2 3.87Å; Y356-T420 WeakPolarHBondContact CE1-OG1 3.41Å; Y356-T420 WeakPolarHBondContact OH-CB 3.49Å; Y356-T420 PolarHBondContact OH-OG1 2.98Å
357K97.1Very high97Very high61 Ų6146.3 Ų46.327%0.26522%0.224SC..Hα-helixtrans-61.5-41.3172.5-168.8173.4-174.2178.90111.6L318 F320 E321 V353 M359 K360L318-K357 HydrophobicContact CD2-CB 4.22Å; L318-K357 WeakPolarHBondContact O-CD 3.47Å; L318-K357 WeakPolarHBondContact O-CE 3.45Å; F320-K357 PolarHBondContact O-NZ 3.08Å; E321-K357 IonicContact OE1-NZ 2.83Å; E321-K357 PolarHBondContact OE1-NZ 3.39Å; E321-K357 IonicContact OE2-NZ 3.37Å; E321-K357 PolarHBondContact OE2-NZ 3.17Å; V353-K357 WeakPolarHBondContact O-CB 3.43Å; V353-K357 PolarHBondContact O-N 3.34Å; K357-M359 PolarHBondContact O-N 3.33Å; K357-K360 PolarHBondContact O-N 3.33Å; K357-K360 VanDerWaalsContact O-N 3.17Å
358S95.6Very high97Very high91 Ų9143.1 Ų43.164%0.63621%0.207SC*.Hα-helixtrans-63.7-27.6172.679.70000114K354 K355 Y356K354-S358 WeakPolarHBondContact O-CB 3.23Å; K354-S358 PolarHBondContact O-N 3.25Å; K355-S358 PolarHBondContact O-N 3.15Å; K355-S358 PolarHBondContact O-OG 2.89Å; Y356-S358 PolarHBondContact O-N 3.44Å
359M94.6Very high97Very high26 Ų2642.6 Ų42.613%0.12820%0.202CC..Hα-helixtrans-86.9-14.7177.2-69.4177.557.700112.9K355 Y356 K357 R413 K416 M417 T420K355-M359 HydrophobicContact CD-SD 4.38Å; K355-M359 PolarHBondContact O-N 3.09Å; Y356-M359 CarbonylContact O-C 3.58Å; Y356-M359 PolarHBondContact O-N 3.09Å; Y356-M359 VanDerWaalsContact O-N 3.08Å; K357-M359 PolarHBondContact O-N 3.33Å; M359-R413 PolarHBondContact O-NH1 3.08Å; M359-R413 PolarHBondContact O-NH2 3.49Å; M359-K416 HydrophobicContact CE-CB 3.88Å; M359-M417 HydrophobicContact CE-CB 4.37Å; M359-M417 HydrophobicContact CE-CG 3.51Å; M359-T420 HydrophobicContact SD-CG2 4.3Å
360K95.6Very high96.9Very high170 Ų17042.9 Ų42.974%0.73920%0.204SC*.THydrogen-bonded Turntrans5567.3-170-53.7177.5-176.81780111Y356 K357 E362 R413Y356-K360 PolarHBondContact O-N 3.17Å; K357-K360 PolarHBondContact O-N 3.33Å; K357-K360 VanDerWaalsContact O-N 3.17Å; K360-E362 PolarHBondContact O-N 3.32Å; K360-R413 PolarHBondContact O-NH2 3.23Å
361L96.4Very high96.9Very high16 Ų1642.6 Ų42.68%0.08420%0.202CC..  trans-63.9120.9-179.5-172.672.8000111.3Y315 L318 Y356 E365 F366 L369 M417Y315-L361 HydrophobicContact CD2-CD2 4.2Å; L318-L361 HydrophobicContact CD1-CB 4.13Å; L318-L361 HydrophobicContact CD1-CD2 4.4Å; Y356-L361 HydrophobicContact CD1-CB 4.49Å; Y356-L361 HydrophobicContact CD1-CD1 4.06Å; Y356-L361 HydrophobicContact CD1-CD2 3.86Å; Y356-L361 HydrophobicContact CD1-CG 4.38Å; Y356-L361 HydrophobicContact CE1-CD2 4.44Å; Y356-L361 HydrophobicContact CG-CD2 3.99Å; Y356-L361 PolarHBondContact O-N 2.93Å; L361-E365 VanDerWaalsContact CA-OE2 3.28Å; L361-E365 WeakPolarHBondContact CA-OE2 3.47Å; L361-E365 HydrophobicContact CD1-CB 3.53Å; L361-E365 HydrophobicContact CG-CB 4.27Å; L361-F366 HydrophobicContact CD2-CB 3.97Å; L361-F366 HydrophobicContact CG-CB 4.3Å; L361-L369 HydrophobicContact CD1-CD1 3.94Å; L361-M417 HydrophobicContact CD1-CE 4.34Å
362E95.2Very high96.9Very high71 Ų7137.4 Ų37.433%0.33218%0.178SC..  trans-81.3165.9173.9-59.7-146.3138.800111.8K232 K360 E364 E365 F366 Y402K232-E362 IonicContact NZ-OE2 2.72Å; K232-E362 PolarHBondContact NZ-OE2 2.86Å; K360-E362 PolarHBondContact O-N 3.32Å; E362-E364 PolarHBondContact O-N 3.29Å; E362-E365 HydrophobicContact CB-CG 4.19Å; E362-E365 PolarHBondContact N-OE2 2.95Å; E362-E365 WeakPolarHBondContact O-CB 3.45Å; E362-E365 PolarHBondContact O-N 3.38Å; E362-F366 PolarHBondContact O-N 3.5Å; E362-Y402 PolarHBondContact OE2-OH 2.95Å
363K96Very high96.9Very high84 Ų8437.4 Ų37.437%0.36518%0.178SC..Hα-helixtrans-63.7-43.2-179.8-167.8-177.6177.1-171.20111.7L242 Y315 E365 F366 V367L242-K363 HydrophobicContact CD2-CB 4.27Å; L242-K363 HydrophobicContact CD2-CD 3.85Å; L242-K363 HydrophobicContact CD2-CG 3.86Å; Y315-K363 WeakPolarHBondContact OH-CB 3.44Å; K363-E365 VanDerWaalsContact C-N 3.3Å; K363-E365 PolarHBondContact O-N 3.19Å; K363-F366 WeakPolarHBondContact O-CB 3.49Å; K363-F366 PolarHBondContact O-N 3.32Å; K363-V367 HydrophobicContact CG-CG1 4.47Å; K363-V367 PolarHBondContact O-N 2.87Å
364E95.5Very high96.9Very high40 Ų4037.1 Ų37.119%0.18718%0.176CC..Hα-helixtrans-54.1-44.9174-75.797.111500113.1K232 V238 L242 E362 V367 T368 Y402K232-E364 IonicContact NZ-OE1 3.18Å; V238-E364 HydrophobicContact CG1-CB 3.56Å; V238-E364 HydrophobicContact CG1-CG 3.6Å; L242-E364 HydrophobicContact CD1-CG 3.75Å; L242-E364 HydrophobicContact CD2-CG 4.19Å; L242-E364 HydrophobicContact CG-CG 4.09Å; E362-E364 PolarHBondContact O-N 3.29Å; E364-V367 WeakPolarHBondContact O-CG2 3.28Å; E364-T368 WeakPolarHBondContact O-CB 3.4Å; E364-T368 PolarHBondContact O-N 3.01Å; E364-T368 VanDerWaalsContact O-N 3.12Å; E364-T368 PolarHBondContact O-OG1 3.29Å; E364-Y402 HydrophobicContact CB-CD1 4.43Å; E364-Y402 HydrophobicContact CB-CD2 4.42Å; E364-Y402 HydrophobicContact CB-CE1 3.7Å; E364-Y402 HydrophobicContact CB-CE2 3.67Å; E364-Y402 VanDerWaalsContact CB-OH 3.32Å; E364-Y402 WeakPolarHBondContact CB-OH 3.21Å; E364-Y402 HydrophobicContact CG-CE1 4.44Å; E364-Y402 HydrophobicContact CG-CE2 3.58Å; E364-Y402 VanDerWaalsContact CG-OH 3.31Å; E364-Y402 WeakPolarHBondContact CG-OH 3.32Å; E364-Y402 PolarHBondContact OE1-OH 3.41Å
365E96.5Very high96.8Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-65.7-44.2178.5-67178167.400111.3L361 E362 K363 T368 L369 Y402 E403 H407 R413 M417L361-E365 VanDerWaalsContact CA-OE2 3.28Å; L361-E365 WeakPolarHBondContact CA-OE2 3.47Å; L361-E365 HydrophobicContact CD1-CB 3.53Å; L361-E365 HydrophobicContact CG-CB 4.27Å; E362-E365 HydrophobicContact CB-CG 4.19Å; E362-E365 PolarHBondContact N-OE2 2.95Å; E362-E365 WeakPolarHBondContact O-CB 3.45Å; E362-E365 PolarHBondContact O-N 3.38Å; K363-E365 VanDerWaalsContact C-N 3.3Å; K363-E365 PolarHBondContact O-N 3.19Å; E365-T368 PolarHBondContact O-N 2.78Å; E365-L369 WeakPolarHBondContact O-CB 3.46Å; E365-L369 PolarHBondContact O-N 2.82Å; E365-Y402 HydrophobicContact CG-CE1 4.2Å; E365-E403 WeakPolarHBondContact CG-OE1 3.35Å; E365-H407 IonicContact OE1-CE1 2.76Å; E365-H407 PolarHBondContact OE1-CE1 3.5Å; E365-H407 IonicContact OE1-ND1 2.71Å; E365-H407 PolarHBondContact OE1-ND1 2.89Å; E365-R413 IonicContact OE1-CZ 3.37Å; E365-R413 IonicContact OE1-NE 3.84Å; E365-R413 PolarHBondContact OE1-NE 3.22Å; E365-R413 IonicContact OE1-NH2 2.69Å; E365-R413 PolarHBondContact OE1-NH2 2.96Å; E365-R413 IonicContact OE2-CZ 2.72Å; E365-R413 IonicContact OE2-NE 3.58Å; E365-R413 IonicContact OE2-NH2 2.66Å; E365-R413 PolarHBondContact OE2-NH2 3.25Å; E365-M417 HydrophobicContact CB-CE 3.53Å; E365-M417 HydrophobicContact CB-SD 4.39Å; E365-M417 HydrophobicContact CG-CE 3.89Å; E365-M417 HydrophobicContact CG-SD 4.21Å
366F97.8Very high96.6Very high6 Ų630 Ų303%0.02615%0.148CC..Hα-helixtrans-58.9-53.8175160.4-109.7000112.5E245 L311 Y315 L361 E362 K363 T368 L369 K370E245-F366 WeakPolarHBondContact OE1-CE1 3.28Å; L311-F366 HydrophobicContact CB-CE2 4.08Å; L311-F366 WeakPolarHBondContact O-CE2 3.48Å; Y315-F366 AromaticContact CD1-CD1 3.89Å; Y315-F366 HydrophobicContact CD1-CD1 3.89Å; Y315-F366 AromaticContact CD1-CE1 3.94Å; Y315-F366 HydrophobicContact CD1-CE1 3.94Å; Y315-F366 HydrophobicContact CD1-CG 4.2Å; Y315-F366 HydrophobicContact CD1-CZ 4.28Å; Y315-F366 HydrophobicContact CD2-CB 3.45Å; Y315-F366 VanDerWaalsContact CD2-CB 3.45Å; Y315-F366 AromaticContact CD2-CD1 3.86Å; Y315-F366 HydrophobicContact CD2-CD1 3.86Å; Y315-F366 AromaticContact CD2-CD2 3.8Å; Y315-F366 HydrophobicContact CD2-CD2 3.8Å; Y315-F366 AromaticContact CD2-CG 3.41Å; Y315-F366 HydrophobicContact CD2-CG 3.41Å; Y315-F366 VanDerWaalsContact CD2-CG 3.41Å; Y315-F366 HydrophobicContact CE1-CD1 4.15Å; Y315-F366 HydrophobicContact CE1-CE1 4.44Å; Y315-F366 HydrophobicContact CE2-CB 3.66Å; Y315-F366 HydrophobicContact CE2-CD1 4.11Å; Y315-F366 AromaticContact CE2-CG 3.92Å; Y315-F366 HydrophobicContact CE2-CG 3.92Å; Y315-F366 HydrophobicContact CG-CB 4.16Å; Y315-F366 AromaticContact CG-CD1 3.76Å; Y315-F366 HydrophobicContact CG-CD1 3.76Å; Y315-F366 AromaticContact CG-CD2 3.7Å; Y315-F366 HydrophobicContact CG-CD2 3.7Å; Y315-F366 HydrophobicContact CG-CE1 4.04Å; Y315-F366 AromaticContact CG-CE2 3.99Å; Y315-F366 HydrophobicContact CG-CE2 3.99Å; Y315-F366 AromaticContact CG-CG 3.58Å; Y315-F366 HydrophobicContact CG-CG 3.58Å; Y315-F366 HydrophobicContact CG-CZ 4.15Å; L361-F366 HydrophobicContact CD2-CB 3.97Å; L361-F366 HydrophobicContact CG-CB 4.3Å; E362-F366 PolarHBondContact O-N 3.5Å; K363-F366 WeakPolarHBondContact O-CB 3.49Å; K363-F366 PolarHBondContact O-N 3.32Å; F366-T368 PolarHBondContact O-N 3.42Å; F366-L369 PolarHBondContact O-N 2.83Å; F366-K370 HydrophobicContact CE2-CD 4.4Å; F366-K370 HydrophobicContact CZ-CD 4Å; F366-K370 VanDerWaalsContact O-CB 3.3Å; F366-K370 WeakPolarHBondContact O-CB 3.21Å; F366-K370 PolarHBondContact O-N 3.4Å
367V97.7Very high95.9Very high0 Ų031.2 Ų31.20%016%0.156CC..Hα-helixtrans-65.7-28.4-178.1-59.70000112.2L241 L242 E245 K363 E364 A371L241-V367 HydrophobicContact CB-CB 4.1Å; L241-V367 HydrophobicContact CB-CG2 3.73Å; L242-V367 HydrophobicContact CD2-CG2 4.12Å; L242-V367 HydrophobicContact CG-CG2 4.33Å; E245-V367 HydrophobicContact CB-CG1 3.89Å; E245-V367 HydrophobicContact CG-CG1 3.76Å; K363-V367 HydrophobicContact CG-CG1 4.47Å; K363-V367 PolarHBondContact O-N 2.87Å; E364-V367 WeakPolarHBondContact O-CG2 3.28Å; V367-A371 PolarHBondContact O-N 3.36Å; V367-A371 VanDerWaalsContact O-N 3.17Å
368T97.5Very high95.1Very high0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-75-44.6176-50.60000111.3E364 E365 F366 K370 A371 I372 L399E364-T368 WeakPolarHBondContact O-CB 3.4Å; E364-T368 PolarHBondContact O-N 3.01Å; E364-T368 VanDerWaalsContact O-N 3.12Å; E364-T368 PolarHBondContact O-OG1 3.29Å; E365-T368 PolarHBondContact O-N 2.78Å; F366-T368 PolarHBondContact O-N 3.42Å; T368-K370 VanDerWaalsContact C-N 3.32Å; T368-K370 PolarHBondContact O-N 3.03Å; T368-A371 PolarHBondContact O-N 3.5Å; T368-I372 HydrophobicContact CG2-CD1 4.05Å; T368-I372 VanDerWaalsContact O-CG1 3.29Å; T368-I372 WeakPolarHBondContact O-CG1 3.34Å; T368-I372 PolarHBondContact O-N 2.67Å; T368-L399 HydrophobicContact CG2-CB 3.86Å; T368-L399 HydrophobicContact CG2-CD1 4.25Å
369L97.8Very high94.4Very high0 Ų030.4 Ų30.40%015%0.15CC..Hα-helixtrans-59.9-40.4171.6-83.7174.6000112.5Y356 L361 E365 F366 A371 I372 A373 M417 L421Y356-L369 HydrophobicContact CE1-CD1 3.72Å; L361-L369 HydrophobicContact CD1-CD1 3.94Å; E365-L369 WeakPolarHBondContact O-CB 3.46Å; E365-L369 PolarHBondContact O-N 2.82Å; F366-L369 PolarHBondContact O-N 2.83Å; L369-A371 VanDerWaalsContact C-N 3.34Å; L369-A371 PolarHBondContact O-N 3.29Å; L369-I372 PolarHBondContact O-N 3.47Å; L369-A373 WeakPolarHBondContact O-CB 3.34Å; L369-A373 PolarHBondContact O-N 3.3Å; L369-M417 HydrophobicContact CD1-CB 4.27Å; L369-M417 HydrophobicContact CD1-CE 3.77Å; L369-M417 HydrophobicContact CD2-CB 4.2Å; L369-M417 HydrophobicContact CD2-CE 4.43Å; L369-M417 HydrophobicContact CG-CE 3.78Å; L369-L421 HydrophobicContact CD2-CD2 4.29Å
370K97.8Very high93.5Very high13 Ų1337.8 Ų37.86%0.05719%0.186CC..Hα-helixtrans-60.2-42.6176.7-166-171.7175.5-1730111.6E245 W282 I308 L311 F366 T368 L374E245-K370 IonicContact OE1-NZ 3.39Å; E245-K370 PolarHBondContact OE1-NZ 3.31Å; E245-K370 IonicContact OE2-NZ 2.74Å; E245-K370 PolarHBondContact OE2-NZ 3.06Å; W282-K370 HydrophobicContact CH2-CB 4.26Å; W282-K370 HydrophobicContact CH2-CD 4Å; W282-K370 HydrophobicContact CH2-CG 3.63Å; W282-K370 HydrophobicContact CZ2-CB 4.19Å; W282-K370 HydrophobicContact CZ2-CD 3.64Å; W282-K370 HydrophobicContact CZ2-CG 3.73Å; I308-K370 HydrophobicContact CG2-CD 4.3Å; I308-K370 VanDerWaalsContact CG2-CE 3.45Å; I308-K370 HydrophobicContact CG2-CG 3.9Å; L311-K370 HydrophobicContact CD1-CB 4.31Å; F366-K370 HydrophobicContact CE2-CD 4.4Å; F366-K370 HydrophobicContact CZ-CD 4Å; F366-K370 VanDerWaalsContact O-CB 3.3Å; F366-K370 WeakPolarHBondContact O-CB 3.21Å; F366-K370 PolarHBondContact O-N 3.4Å; T368-K370 VanDerWaalsContact C-N 3.32Å; T368-K370 PolarHBondContact O-N 3.03Å; K370-L374 PolarHBondContact O-N 3.12Å
371A98.2Very high93Very high1 Ų136.6 Ų36.61%0.00818%0.183CC..Hα-helixtrans-69.8-38.9174.500000112.8L241 I286 V367 T368 L369 L374 A375 L395L241-A371 HydrophobicContact CD1-CB 3.83Å; L241-A371 HydrophobicContact CD2-CB 3.94Å; I286-A371 HydrophobicContact CD1-CB 4.19Å; I286-A371 HydrophobicContact CG2-CB 4.43Å; V367-A371 PolarHBondContact O-N 3.36Å; V367-A371 VanDerWaalsContact O-N 3.17Å; T368-A371 PolarHBondContact O-N 3.5Å; L369-A371 VanDerWaalsContact C-N 3.34Å; L369-A371 PolarHBondContact O-N 3.29Å; A371-L374 PolarHBondContact O-N 3.44Å; A371-A375 PolarHBondContact O-N 2.87Å; A371-L395 HydrophobicContact CB-CD1 4.2Å; A371-L395 HydrophobicContact CB-CD2 3.85Å
372I98Very high92.8Very high2 Ų237.3 Ų37.31%0.0119%0.187CC..Hα-helixtrans-63.2-41.6174.7-68.6162.4000110.7T368 L369 L374 A375 N376 L395 L399 L418 L421T368-I372 HydrophobicContact CG2-CD1 4.05Å; T368-I372 VanDerWaalsContact O-CG1 3.29Å; T368-I372 WeakPolarHBondContact O-CG1 3.34Å; T368-I372 PolarHBondContact O-N 2.67Å; L369-I372 PolarHBondContact O-N 3.47Å; I372-L374 VanDerWaalsContact C-N 3.29Å; I372-L374 PolarHBondContact O-N 3.33Å; I372-A375 PolarHBondContact O-N 3.33Å; I372-A375 VanDerWaalsContact O-N 3.11Å; I372-N376 WeakPolarHBondContact O-CB 3.38Å; I372-N376 PolarHBondContact O-N 2.92Å; I372-L395 HydrophobicContact CG1-CB 3.78Å; I372-L399 HydrophobicContact CD1-CB 4.24Å; I372-L399 HydrophobicContact CD1-CD2 3.88Å; I372-L418 HydrophobicContact CD1-CD2 4.17Å; I372-L418 HydrophobicContact CG2-CD2 3.98Å; I372-L421 HydrophobicContact CG2-CD1 3.89Å
373A97.4Very high92.7Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-60.4-37176.700000112.5A304 L311 L369 L421 L424A304-A373 VanDerWaalsContact CB-O 3.29Å; A304-A373 WeakPolarHBondContact CB-O 3.42Å; L311-A373 HydrophobicContact CD1-CB 4.12Å; L369-A373 WeakPolarHBondContact O-CB 3.34Å; L369-A373 PolarHBondContact O-N 3.3Å; A373-L421 HydrophobicContact CB-CD2 4.48Å; A373-L424 HydrophobicContact CB-CD2 4.27Å
374L97.1Very high92.7Very high1 Ų139.8 Ų39.81%0.00520%0.202CC..Hα-helixtrans-64.3-42.4172.4-177.967.3000112.6W282 A283 I286 F289 L300 L301 A304 I308 K370 A371 I372W282-L374 HydrophobicContact CZ3-CD2 4.14Å; A283-L374 HydrophobicContact CB-CD2 3.76Å; I286-L374 HydrophobicContact CD1-CD2 3.45Å; I286-L374 VanDerWaalsContact CD1-CD2 3.45Å; F289-L374 HydrophobicContact CD2-CD2 3.7Å; F289-L374 HydrophobicContact CD2-CG 4.4Å; F289-L374 HydrophobicContact CE2-CD1 4.35Å; F289-L374 HydrophobicContact CE2-CD2 3.63Å; F289-L374 HydrophobicContact CE2-CG 4.1Å; F289-L374 HydrophobicContact CZ-CD2 4.4Å; L300-L374 HydrophobicContact CB-CD1 4.13Å; L300-L374 HydrophobicContact CB-CG 4.42Å; L301-L374 HydrophobicContact CD2-CD1 3.97Å; L301-L374 HydrophobicContact CG-CD1 4.22Å; A304-L374 HydrophobicContact CB-CD1 4.14Å; I308-L374 HydrophobicContact CD1-CB 4.11Å; I308-L374 HydrophobicContact CD1-CD1 3.9Å; K370-L374 PolarHBondContact O-N 3.12Å; A371-L374 PolarHBondContact O-N 3.44Å; I372-L374 VanDerWaalsContact C-N 3.29Å; I372-L374 PolarHBondContact O-N 3.33Å
375A96.4Very high92.6Very high1 Ų142.5 Ų42.51%0.00822%0.221CC..Hα-helixtrans-77.9-25.7-178.200000113.4A371 I372 S377 L391 Q392 L395A371-A375 PolarHBondContact O-N 2.87Å; I372-A375 PolarHBondContact O-N 3.33Å; I372-A375 VanDerWaalsContact O-N 3.11Å; A375-S377 VanDerWaalsContact C-N 3.27Å; A375-S377 PolarHBondContact O-N 3.28Å; A375-L391 HydrophobicContact CB-CD2 4.2Å; A375-L391 HydrophobicContact CB-CG 4.13Å; A375-Q392 HydrophobicContact CB-CG 3.76Å; A375-Q392 PolarHBondContact O-NE2 3.17Å; A375-L395 HydrophobicContact CB-CD1 3.84Å
376N92.2Very high92.6Very high48 Ų4848.7 Ų48.726%0.25725%0.25SC..SBendtrans-8562-179.3-171.181.8000111.5I372 R425I372-N376 WeakPolarHBondContact O-CB 3.38Å; I372-N376 PolarHBondContact O-N 2.92Å; N376-R425 PolarHBondContact O-NH2 3.27Å
377S83.5Confident92.5Very high24 Ų2449.3 Ų49.317%0.16826%0.257CS..  trans-81.2143.5-179.1-1800000112.9S303 A375 S379S303-S377 WeakPolarHBondContact CB-OG 3.45Å; S303-S377 PolarHBondContact OG-OG 2.87Å; A375-S377 VanDerWaalsContact C-N 3.27Å; A375-S377 PolarHBondContact O-N 3.28Å; S377-S379 VanDerWaalsContact OG-CB 3.27Å; S377-S379 WeakPolarHBondContact OG-CB 3.33Å; S377-S379 PolarHBondContact OG-N 2.84Å
378D80.2Confident92.5Very high105 Ų10549.7 Ų49.756%0.56126%0.259SS*.  trans-957.3169.4-66.4-4.3000111.7S303 M380 R425S303-D378 PolarHBondContact OG-N 3.45Å; D378-M380 PolarHBondContact O-N 3.31Å; D378-R425 IonicContact OD1-CZ 2.73Å; D378-R425 IonicContact OD1-NH1 3.98Å; D378-R425 PolarHBondContact OD1-NH1 3.26Å; D378-R425 IonicContact OD2-CZ 2.76Å; D378-R425 IonicContact OD2-NH1 2.77Å; D378-R425 PolarHBondContact OD2-NH1 2.92Å
379S80.7Confident92.4Very high31 Ų3153.7 Ų53.722%0.21728%0.278CS..  trans-61127.5-176.4-1780000111.5S299 S377 H381S299-S379 PolarHBondContact OG-OG 3.11Å; S377-S379 VanDerWaalsContact OG-CB 3.27Å; S377-S379 WeakPolarHBondContact OG-CB 3.33Å; S377-S379 PolarHBondContact OG-N 2.84Å; S379-H381 PolarHBondContact O-N 2.73Å; S379-H381 PolarHBondContact OG-N 2.61Å; S379-H381 VanDerWaalsContact OG-N 3.14Å
380M77.1Confident92.3Very high181 Ų18158.9 Ų58.989%0.89230%0.3SS*.THydrogen-bonded Turntrans-76.22.2172-63.8-175.765.700113D378D378-M380 PolarHBondContact O-N 3.31Å
381H84Confident92.3Very high144 Ų14458.6 Ų58.667%0.66730%0.299SS*.THydrogen-bonded Turntrans-113.515.5-170.5-50.3-70.6000113.9S379 E383S379-H381 PolarHBondContact O-N 2.73Å; S379-H381 PolarHBondContact OG-N 2.61Å; S379-H381 VanDerWaalsContact OG-N 3.14Å; H381-E383 PolarHBondContact O-N 2.85Å
382I92.2Very high92.2Very high32 Ų3260.1 Ų60.116%0.16431%0.306CS..  trans-69.6124.9175-59.8-59.4000110.1D296 L300 V385 V388D296-I382 WeakPolarHBondContact OD1-CA 3.48Å; D296-I382 WeakPolarHBondContact OD1-CG2 3.44Å; L300-I382 HydrophobicContact CD2-CD1 4.04Å; I382-V385 HydrophobicContact CB-CG2 4.29Å; I382-V385 HydrophobicContact CG2-CB 4.43Å; I382-V385 HydrophobicContact CG2-CG2 3.88Å; I382-V388 HydrophobicContact CD1-CG2 4.41Å; I382-V388 HydrophobicContact CG2-CB 4.22Å; I382-V388 HydrophobicContact CG2-CG2 3.66Å
383E94Very high92.1Very high131 Ų13163.9 Ų63.961%0.61233%0.326SS*.SBendtrans-81.2-56.7-179.7-61.3-173.7120.700111.5S293 D296 H381S293-E383 WeakPolarHBondContact CB-OE2 3.5Å; S293-E383 PolarHBondContact OG-OE2 3.36Å; D296-E383 PolarHBondContact OD1-N 2.91Å; H381-E383 PolarHBondContact O-N 2.85Å
384D94.9Very high92Very high75 Ų7566.6 Ų66.640%0.40134%0.342SS..  trans-104.980.7177-168.6-16.1000110.8D296 E386 A387 V388D296-D384 PolarHBondContact OD2-N 2.8Å; D384-E386 PolarHBondContact O-N 2.76Å; D384-E386 WeakPolarHBondContact OD1-CA 3.38Å; D384-E386 WeakPolarHBondContact OD1-CB 3.35Å; D384-E386 PolarHBondContact OD1-N 2.77Å; D384-A387 HydrophobicContact CB-CB 3.83Å; D384-A387 PolarHBondContact O-N 3.19Å; D384-A387 PolarHBondContact OD1-N 2.73Å; D384-A387 WeakPolarHBondContact OD2-CB 3.49Å; D384-V388 PolarHBondContact O-N 3.37Å
385V94.4Very high92Very high97 Ų9766.6 Ų66.659%0.58834%0.342SS*.Hα-helixtrans-55.9-31.7175-177.90000111.6I382 Q389I382-V385 HydrophobicContact CB-CG2 4.29Å; I382-V385 HydrophobicContact CG2-CB 4.43Å; I382-V385 HydrophobicContact CG2-CG2 3.88Å; V385-Q389 WeakPolarHBondContact O-CB 3.31Å; V385-Q389 PolarHBondContact O-N 3.49Å
386E95.7Very high92Very high130 Ų13068.5 Ų68.561%0.60735%0.351SS*.Hα-helixtrans-72.1-37.7175.9-59.1-166.7178.700112.2D384 Q389 K390D384-E386 PolarHBondContact O-N 2.76Å; D384-E386 WeakPolarHBondContact OD1-CA 3.38Å; D384-E386 WeakPolarHBondContact OD1-CB 3.35Å; D384-E386 PolarHBondContact OD1-N 2.77Å; E386-Q389 PolarHBondContact O-N 2.88Å; E386-K390 WeakPolarHBondContact O-CB 3.26Å; E386-K390 WeakPolarHBondContact O-CD 3.38Å; E386-K390 WeakPolarHBondContact O-CE 3.22Å; E386-K390 WeakPolarHBondContact O-CG 3.08Å; E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 IonicContact OE2-NZ 3.66Å; E386-K390 PolarHBondContact OE2-NZ 3.37Å
387A96.4Very high92.2Very high20 Ų2071.9 Ų71.917%0.16537%0.366CS..Hα-helixtrans-67.1-40.517700000111.6L292 D384 K390 L391L292-A387 HydrophobicContact CD2-CB 3.59Å; D384-A387 HydrophobicContact CB-CB 3.83Å; D384-A387 PolarHBondContact O-N 3.19Å; D384-A387 PolarHBondContact OD1-N 2.73Å; D384-A387 WeakPolarHBondContact OD2-CB 3.49Å; A387-K390 PolarHBondContact O-N 2.83Å; A387-L391 PolarHBondContact O-N 3.07Å
388V96.1Very high92.8Very high8 Ų870.9 Ų70.95%0.04836%0.358CS..Hα-helixtrans-64.1-42.3172175.80000111.2L292 L300 I382 D384 K390 L391 Q392L292-V388 HydrophobicContact CD1-CG2 4.19Å; L292-V388 HydrophobicContact CD2-CG2 4.19Å; L300-V388 HydrophobicContact CD2-CG1 4.09Å; I382-V388 HydrophobicContact CD1-CG2 4.41Å; I382-V388 HydrophobicContact CG2-CB 4.22Å; I382-V388 HydrophobicContact CG2-CG2 3.66Å; D384-V388 PolarHBondContact O-N 3.37Å; V388-K390 PolarHBondContact O-N 3.45Å; V388-L391 WeakPolarHBondContact O-CB 3.43Å; V388-L391 PolarHBondContact O-N 3.2Å; V388-Q392 WeakPolarHBondContact O-CG 3.38Å; V388-Q392 PolarHBondContact O-N 3.23Å
389Q95.5Very high93.6Very high84 Ų8465.9 Ų65.939%0.39333%0.332SS..Hα-helixtrans-60.8-43.9174.1-171.263.566.700111.7V385 E386 L391 Q392 D393V385-Q389 WeakPolarHBondContact O-CB 3.31Å; V385-Q389 PolarHBondContact O-N 3.49Å; E386-Q389 PolarHBondContact O-N 2.88Å; Q389-L391 PolarHBondContact O-N 2.92Å; Q389-Q392 WeakPolarHBondContact O-CB 3.35Å; Q389-Q392 PolarHBondContact O-N 3.47Å; Q389-Q392 VanDerWaalsContact O-N 3.12Å; Q389-D393 PolarHBondContact NE2-OD1 2.71Å; Q389-D393 WeakPolarHBondContact O-CB 3.39Å; Q389-D393 PolarHBondContact O-N 3.21Å
390K96.3Very high94.2Very high108 Ų10869.8 Ų69.847%0.4735%0.347SS..Hα-helixtrans-60.8-32.7176.5-68.9153.6-158.9155.80112.1E386 A387 V388 V394E386-K390 WeakPolarHBondContact O-CB 3.26Å; E386-K390 WeakPolarHBondContact O-CD 3.38Å; E386-K390 WeakPolarHBondContact O-CE 3.22Å; E386-K390 WeakPolarHBondContact O-CG 3.08Å; E386-K390 PolarHBondContact O-N 2.94Å; E386-K390 IonicContact OE2-NZ 3.66Å; E386-K390 PolarHBondContact OE2-NZ 3.37Å; A387-K390 PolarHBondContact O-N 2.83Å; V388-K390 PolarHBondContact O-N 3.45Å; K390-V394 VanDerWaalsContact O-CG2 3.3Å; K390-V394 WeakPolarHBondContact O-CG2 3.31Å; K390-V394 PolarHBondContact O-N 3.18Å
391L97Very high95Very high8 Ų865.6 Ų65.64%0.04233%0.328CS..Hα-helixtrans-69.8-46.6171.8175.261.2000111.8I286 P287 F289 L292 L300 A375 A387 V388 Q389 D393 V394 L395I286-L391 HydrophobicContact CG2-CD1 4.29Å; P287-L391 VanDerWaalsContact O-CD1 3.23Å; P287-L391 WeakPolarHBondContact O-CD1 3.23Å; F289-L391 HydrophobicContact CB-CD2 4.39Å; F289-L391 HydrophobicContact CD2-CD2 4.31Å; L292-L391 HydrophobicContact CD1-CD2 3.86Å; L300-L391 HydrophobicContact CD1-CD2 4.22Å; A375-L391 HydrophobicContact CB-CD2 4.2Å; A375-L391 HydrophobicContact CB-CG 4.13Å; A387-L391 PolarHBondContact O-N 3.07Å; V388-L391 WeakPolarHBondContact O-CB 3.43Å; V388-L391 PolarHBondContact O-N 3.2Å; Q389-L391 PolarHBondContact O-N 2.92Å; L391-D393 VanDerWaalsContact C-N 3.35Å; L391-D393 PolarHBondContact O-N 3.08Å; L391-V394 PolarHBondContact O-N 3.33Å; L391-L395 HydrophobicContact CD1-CD1 3.96Å; L391-L395 HydrophobicContact CD1-CG 4.33Å; L391-L395 HydrophobicContact CG-CD1 4.1Å; L391-L395 WeakPolarHBondContact O-CG 3.32Å; L391-L395 PolarHBondContact O-N 3.4Å
392Q96.7Very high95.5Very high32 Ų3259.2 Ų59.215%0.1530%0.298CS..Hα-helixtrans-58.2-46.2175.6-69.1177.99.600111.6A375 V388 Q389 V394 L395 H396A375-Q392 HydrophobicContact CB-CG 3.76Å; A375-Q392 PolarHBondContact O-NE2 3.17Å; V388-Q392 WeakPolarHBondContact O-CG 3.38Å; V388-Q392 PolarHBondContact O-N 3.23Å; Q389-Q392 WeakPolarHBondContact O-CB 3.35Å; Q389-Q392 PolarHBondContact O-N 3.47Å; Q389-Q392 VanDerWaalsContact O-N 3.12Å; Q392-V394 PolarHBondContact O-N 2.69Å; Q392-L395 PolarHBondContact O-N 3.25Å; Q392-L395 VanDerWaalsContact O-N 3.15Å; Q392-H396 WeakPolarHBondContact O-CB 3.36Å; Q392-H396 VanDerWaalsContact O-CG 3.31Å; Q392-H396 PolarHBondContact O-N 2.86Å; Q392-H396 PolarHBondContact O-ND1 3.09Å
393D96.3Very high95.5Very high82 Ų8258.1 Ų58.144%0.43929%0.292SS..Hα-helixtrans-59.9-45.4-178.4-68.4-9.5000111.6Q389 L391 L395 H396 E397Q389-D393 PolarHBondContact NE2-OD1 2.71Å; Q389-D393 WeakPolarHBondContact O-CB 3.39Å; Q389-D393 PolarHBondContact O-N 3.21Å; L391-D393 VanDerWaalsContact C-N 3.35Å; L391-D393 PolarHBondContact O-N 3.08Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 3.02Å; D393-H396 PolarHBondContact O-N 3.41Å; D393-E397 WeakPolarHBondContact O-CB 3.29Å; D393-E397 PolarHBondContact O-N 3.38Å
394V96.2Very high95.4Very high56 Ų5655.1 Ų55.134%0.33929%0.29SS..Hα-helixtrans-63.3-35176.91680000112.1I237 K390 L391 Q392 A398I237-V394 HydrophobicContact CD1-CG1 4.09Å; I237-V394 HydrophobicContact CG1-CG1 4.18Å; K390-V394 VanDerWaalsContact O-CG2 3.3Å; K390-V394 WeakPolarHBondContact O-CG2 3.31Å; K390-V394 PolarHBondContact O-N 3.18Å; L391-V394 PolarHBondContact O-N 3.33Å; Q392-V394 PolarHBondContact O-N 2.69Å; V394-A398 WeakPolarHBondContact O-CB 3.46Å; V394-A398 PolarHBondContact O-N 2.97Å
395L97.3Very high95.1Very high1 Ų152.6 Ų52.61%0.00528%0.281CS..Hα-helixtrans-76.8-35.4177.3-67169.8000112.2I237 L241 I286 A371 I372 A375 L391 Q392 D393 A398 L399I237-L395 HydrophobicContact CG2-CD2 4.08Å; L241-L395 HydrophobicContact CD1-CD2 4.27Å; I286-L395 HydrophobicContact CG2-CD2 4.32Å; A371-L395 HydrophobicContact CB-CD1 4.2Å; A371-L395 HydrophobicContact CB-CD2 3.85Å; I372-L395 HydrophobicContact CG1-CB 3.78Å; A375-L395 HydrophobicContact CB-CD1 3.84Å; L391-L395 HydrophobicContact CD1-CD1 3.96Å; L391-L395 HydrophobicContact CD1-CG 4.33Å; L391-L395 HydrophobicContact CG-CD1 4.1Å; L391-L395 WeakPolarHBondContact O-CG 3.32Å; L391-L395 PolarHBondContact O-N 3.4Å; Q392-L395 PolarHBondContact O-N 3.25Å; Q392-L395 VanDerWaalsContact O-N 3.15Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 3.02Å; L395-A398 PolarHBondContact O-N 2.9Å; L395-L399 PolarHBondContact O-N 2.67Å
396H96.3Very high94.8Very high42 Ų4249.6 Ų49.619%0.19426%0.261CS..Hα-helixtrans-69.3-44173.3-70.1150.3000112.4Q392 D393 A398 L399 Q400Q392-H396 WeakPolarHBondContact O-CB 3.36Å; Q392-H396 VanDerWaalsContact O-CG 3.31Å; Q392-H396 PolarHBondContact O-N 2.86Å; Q392-H396 PolarHBondContact O-ND1 3.09Å; D393-H396 PolarHBondContact O-N 3.41Å; H396-A398 VanDerWaalsContact C-N 3.32Å; H396-A398 PolarHBondContact O-N 3.12Å; H396-L399 PolarHBondContact O-N 3.3Å; H396-Q400 WeakPolarHBondContact O-CB 3.48Å; H396-Q400 VanDerWaalsContact O-CG 3.28Å; H396-Q400 WeakPolarHBondContact O-CG 3.5Å; H396-Q400 PolarHBondContact O-N 2.89Å
397E95.8Very high94.4Very high119 Ų11944.6 Ų44.656%0.55624%0.238SC*.Hα-helixtrans-58.9-44.9171.7-174178.9-152.200110D393 L399 Q400 D401D393-E397 WeakPolarHBondContact O-CB 3.29Å; D393-E397 PolarHBondContact O-N 3.38Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 3.29Å; E397-Q400 PolarHBondContact O-N 3.46Å; E397-D401 WeakPolarHBondContact O-CB 3.17Å; E397-D401 PolarHBondContact O-N 3.21Å
398A96Very high93.9Very high2 Ų250.8 Ų50.82%0.01727%0.265CS..Hα-helixtrans-60.2-38.9177.500000114.2N235 I237 V238 V394 L395 H396 Y402N235-A398 PolarHBondContact ND2-O 3.41Å; I237-A398 HydrophobicContact CB-CB 3.63Å; I237-A398 HydrophobicContact CG1-CB 4.06Å; I237-A398 HydrophobicContact CG2-CB 3.83Å; V238-A398 HydrophobicContact CG2-CB 4.45Å; V394-A398 WeakPolarHBondContact O-CB 3.46Å; V394-A398 PolarHBondContact O-N 2.97Å; L395-A398 PolarHBondContact O-N 2.9Å; H396-A398 VanDerWaalsContact C-N 3.32Å; H396-A398 PolarHBondContact O-N 3.12Å; A398-Y402 WeakPolarHBondContact O-CB 3.48Å; A398-Y402 PolarHBondContact O-N 3.45Å
399L95.7Very high93.6Very high1 Ų157.3 Ų57.31%0.00530%0.295CS..Hα-helixtrans-68.7-46.7173.8-179.760000111.3T368 I372 L395 H396 E397 D401 Y402 E403 A414 M417 L418T368-L399 HydrophobicContact CG2-CB 3.86Å; T368-L399 HydrophobicContact CG2-CD1 4.25Å; I372-L399 HydrophobicContact CD1-CB 4.24Å; I372-L399 HydrophobicContact CD1-CD2 3.88Å; L395-L399 PolarHBondContact O-N 2.67Å; H396-L399 PolarHBondContact O-N 3.3Å; E397-L399 VanDerWaalsContact C-N 3.34Å; E397-L399 PolarHBondContact O-N 3.29Å; L399-D401 PolarHBondContact O-N 3.17Å; L399-Y402 PolarHBondContact O-N 3.18Å; L399-E403 HydrophobicContact CD1-CG 4.03Å; L399-E403 HydrophobicContact CG-CG 4.42Å; L399-E403 WeakPolarHBondContact O-CG 3.29Å; L399-E403 PolarHBondContact O-N 2.9Å; L399-A414 HydrophobicContact CD2-CB 4.07Å; L399-A414 HydrophobicContact CG-CB 3.9Å; L399-M417 HydrophobicContact CD1-CE 3.52Å; L399-M417 HydrophobicContact CD1-SD 4.16Å; L399-M417 HydrophobicContact CD2-CE 4.23Å; L399-L418 HydrophobicContact CD2-CD2 4.33Å; L399-L418 HydrophobicContact CD2-CG 4.33Å
400Q94.8Very high93.4Very high112 Ų11254.5 Ų54.552%0.52328%0.283SS..Hα-helixtrans-61.5-45.2-179-71.6174.526.800112.1H396 E397 Y402 E403 A404 A414H396-Q400 WeakPolarHBondContact O-CB 3.48Å; H396-Q400 VanDerWaalsContact O-CG 3.28Å; H396-Q400 WeakPolarHBondContact O-CG 3.5Å; H396-Q400 PolarHBondContact O-N 2.89Å; E397-Q400 PolarHBondContact O-N 3.46Å; Q400-Y402 VanDerWaalsContact C-N 3.32Å; Q400-Y402 PolarHBondContact O-N 3.43Å; Q400-E403 PolarHBondContact O-N 3.2Å; Q400-A404 VanDerWaalsContact O-CB 3.22Å; Q400-A404 WeakPolarHBondContact O-CB 3.06Å; Q400-A404 PolarHBondContact O-N 3.27Å; Q400-A414 HydrophobicContact CG-CB 4.31Å
401D93.3Very high93Very high94 Ų9454.7 Ų54.750%0.50330%0.295SS..Hα-helixtrans-59.1-40.4173.7-89.93.9000112.5N235 E397 L399 G405N235-D401 VanDerWaalsContact ND2-CB 3.35Å; N235-D401 WeakPolarHBondContact ND2-CB 3.45Å; E397-D401 WeakPolarHBondContact O-CB 3.17Å; E397-D401 PolarHBondContact O-N 3.21Å; L399-D401 PolarHBondContact O-N 3.17Å; D401-G405 PolarHBondContact O-N 3.46Å
402Y93.7Very high92.9Very high10 Ų1062.2 Ų62.24%0.03932%0.323CS..Hα-helixtrans-69.1-49.1179.8-175.5-92.5000111K232 V238 E362 E364 E365 A398 L399 Q400 G405 Q406K232-Y402 PolarHBondContact NZ-OH 2.86Å; V238-Y402 HydrophobicContact CB-CD2 4.36Å; V238-Y402 HydrophobicContact CG1-CD2 4Å; V238-Y402 HydrophobicContact CG1-CE2 4.2Å; V238-Y402 HydrophobicContact CG2-CD2 4.28Å; V238-Y402 HydrophobicContact CG2-CG 4.34Å; E362-Y402 PolarHBondContact OE2-OH 2.95Å; E364-Y402 HydrophobicContact CB-CD1 4.43Å; E364-Y402 HydrophobicContact CB-CD2 4.42Å; E364-Y402 HydrophobicContact CB-CE1 3.7Å; E364-Y402 HydrophobicContact CB-CE2 3.67Å; E364-Y402 VanDerWaalsContact CB-OH 3.32Å; E364-Y402 WeakPolarHBondContact CB-OH 3.21Å; E364-Y402 HydrophobicContact CG-CE1 4.44Å; E364-Y402 HydrophobicContact CG-CE2 3.58Å; E364-Y402 VanDerWaalsContact CG-OH 3.31Å; E364-Y402 WeakPolarHBondContact CG-OH 3.32Å; E364-Y402 PolarHBondContact OE1-OH 3.41Å; E365-Y402 HydrophobicContact CG-CE1 4.2Å; A398-Y402 WeakPolarHBondContact O-CB 3.48Å; A398-Y402 PolarHBondContact O-N 3.45Å; L399-Y402 PolarHBondContact O-N 3.18Å; Q400-Y402 VanDerWaalsContact C-N 3.32Å; Q400-Y402 PolarHBondContact O-N 3.43Å; Y402-G405 CarbonylContact O-C 3.58Å; Y402-G405 WeakPolarHBondContact O-CA 3.32Å; Y402-G405 PolarHBondContact O-N 3.14Å; Y402-G405 VanDerWaalsContact O-N 3.09Å; Y402-Q406 HydrophobicContact CD1-CG 3.97Å; Y402-Q406 HydrophobicContact CD2-CG 4.2Å; Y402-Q406 HydrophobicContact CE1-CB 4.34Å; Y402-Q406 HydrophobicContact CE1-CG 3.46Å; Y402-Q406 VanDerWaalsContact CE1-CG 3.46Å; Y402-Q406 HydrophobicContact CE2-CG 3.75Å; Y402-Q406 HydrophobicContact CG-CG 4.3Å; Y402-Q406 WeakPolarHBondContact O-CG 3.17Å; Y402-Q406 PolarHBondContact O-N 3.17Å
403E93.6Very high92.8Very high8 Ų862.1 Ų62.14%0.03732%0.321CS..Hα-helixtrans-64-43.9179.1-66.6-45.3129.100112.8E365 L399 Q400 G405 Q406 H407 R413 A414E365-E403 WeakPolarHBondContact CG-OE1 3.35Å; L399-E403 HydrophobicContact CD1-CG 4.03Å; L399-E403 HydrophobicContact CG-CG 4.42Å; L399-E403 WeakPolarHBondContact O-CG 3.29Å; L399-E403 PolarHBondContact O-N 2.9Å; Q400-E403 PolarHBondContact O-N 3.2Å; E403-G405 PolarHBondContact O-N 3.39Å; E403-G405 VanDerWaalsContact O-N 3.12Å; E403-Q406 PolarHBondContact O-N 3.5Å; E403-H407 CarbonylContact O-C 3.48Å; E403-H407 WeakPolarHBondContact O-CA 3.31Å; E403-H407 PolarHBondContact O-N 3.49Å; E403-H407 IonicContact OE2-CE1 3.43Å; E403-H407 IonicContact OE2-CG 3.63Å; E403-H407 IonicContact OE2-ND1 3.13Å; E403-H407 PolarHBondContact OE2-ND1 3.3Å; E403-R413 HydrophobicContact CG-CB 4.33Å; E403-R413 HydrophobicContact CG-CG 4.44Å; E403-R413 WeakPolarHBondContact OE2-CD 3.28Å; E403-R413 VanDerWaalsContact OE2-CG 3.26Å; E403-R413 WeakPolarHBondContact OE2-CG 3.44Å; E403-R413 IonicContact OE2-NE 2.72Å; E403-R413 PolarHBondContact OE2-NE 2.84Å; E403-A414 HydrophobicContact CB-CB 4.3Å; E403-A414 HydrophobicContact CG-CB 3.84Å
404A91Very high92.8Very high68 Ų6858.7 Ų58.756%0.56230%0.304SS*.Hα-helixtrans-60.4-22.7175.200000112.7Q400Q400-A404 VanDerWaalsContact O-CB 3.22Å; Q400-A404 WeakPolarHBondContact O-CB 3.06Å; Q400-A404 PolarHBondContact O-N 3.27Å
405G88.2Confident92.8Very high22 Ų2257.8 Ų57.823%0.22731%0.306CS..Hα-helixtrans-95.9-31.4-18000000116.2P233 D401 Y402 E403P233-G405 WeakPolarHBondContact CD-O 3.27Å; P233-G405 WeakPolarHBondContact CG-O 3.49Å; D401-G405 PolarHBondContact O-N 3.46Å; Y402-G405 CarbonylContact O-C 3.58Å; Y402-G405 WeakPolarHBondContact O-CA 3.32Å; Y402-G405 PolarHBondContact O-N 3.14Å; Y402-G405 VanDerWaalsContact O-N 3.09Å; E403-G405 PolarHBondContact O-N 3.39Å; E403-G405 VanDerWaalsContact O-N 3.12Å
406Q88Confident92.7Very high35 Ų3561.7 Ų61.716%0.16432%0.323CS..Hα-helixtrans-95.7-43.7177.3-53.1-43.8-4800113.1P233 Y402 E403P233-Q406 PolarHBondContact O-NE2 3.44Å; Y402-Q406 HydrophobicContact CD1-CG 3.97Å; Y402-Q406 HydrophobicContact CD2-CG 4.2Å; Y402-Q406 HydrophobicContact CE1-CB 4.34Å; Y402-Q406 HydrophobicContact CE1-CG 3.46Å; Y402-Q406 VanDerWaalsContact CE1-CG 3.46Å; Y402-Q406 HydrophobicContact CE2-CG 3.75Å; Y402-Q406 HydrophobicContact CG-CG 4.3Å; Y402-Q406 WeakPolarHBondContact O-CG 3.17Å; Y402-Q406 PolarHBondContact O-N 3.17Å; E403-Q406 PolarHBondContact O-N 3.5Å
407H87.2Confident92.6Very high25 Ų2559.7 Ų59.712%0.11631%0.314CS..  trans-115.753.1-166.2-63.1122.1000111E365 E403 E409 D410 R413E365-H407 IonicContact OE1-CE1 2.76Å; E365-H407 PolarHBondContact OE1-CE1 3.5Å; E365-H407 IonicContact OE1-ND1 2.71Å; E365-H407 PolarHBondContact OE1-ND1 2.89Å; E403-H407 CarbonylContact O-C 3.48Å; E403-H407 WeakPolarHBondContact O-CA 3.31Å; E403-H407 PolarHBondContact O-N 3.49Å; E403-H407 IonicContact OE2-CE1 3.43Å; E403-H407 IonicContact OE2-CG 3.63Å; E403-H407 IonicContact OE2-ND1 3.13Å; E403-H407 PolarHBondContact OE2-ND1 3.3Å; H407-E409 IonicContact CD2-OE1 2.79Å; H407-E409 PolarHBondContact O-N 3.14Å; H407-D410 CarbonylContact O-C 3.57Å; H407-D410 PolarHBondContact O-N 3.02Å; H407-R413 PolarHBondContact CE1-NE 3.25Å; H407-R413 WeakPolarHBondContact ND1-CD 3.39Å; H407-R413 PolarHBondContact ND1-NE 3.08Å; H407-R413 VanDerWaalsContact ND1-NE 3.19Å
408M86.1Confident92.7Very high150 Ų15056.2 Ų56.274%0.73930%0.299SS*.THydrogen-bonded Turntrans-55.3-24.5-176.6-60.3-173.27600113.4
409E90.5Very high92.7Very high144 Ų14463.5 Ų63.567%0.67333%0.334SS*.THydrogen-bonded Turntrans-77-19177.870.7-70.6165.100115H407H407-E409 IonicContact CD2-OE1 2.79Å; H407-E409 PolarHBondContact O-N 3.14Å
410D91Very high92.8Very high26 Ų2663.6 Ų63.614%0.13934%0.335CS..  trans-129.375.7175.8-17236.7000112.2H407 R412 R413 K416H407-D410 CarbonylContact O-C 3.57Å; H407-D410 PolarHBondContact O-N 3.02Å; D410-R412 PolarHBondContact O-N 2.87Å; D410-R412 IonicContact OD1-NE 2.59Å; D410-R412 IonicContact OD1-NH2 3.96Å; D410-R413 HydrophobicContact CB-CB 4.47Å; D410-R413 WeakPolarHBondContact O-CB 3.3Å; D410-R413 PolarHBondContact O-N 3.47Å; D410-K416 IonicContact OD1-NZ 3.95Å; D410-K416 PolarHBondContact OD1-NZ 3.39Å; D410-K416 WeakPolarHBondContact OD2-CE 3.42Å; D410-K416 IonicContact OD2-NZ 2.72Å; D410-K416 PolarHBondContact OD2-NZ 3.05Å
411P89.2Confident92.9Very high112 Ų11258.9 Ų58.973%0.72731%0.313SS*.THydrogen-bonded Turntrans-65.614.3-179.928.6-37.7000114.9
412R93.6Very high93.1Very high166 Ų16658.8 Ų58.863%0.62632%0.318SS*.THydrogen-bonded Turntrans-115.21.5172.5-64.6160.9-64.6-139-5.9112.3D410 A414 G415 K416D410-R412 PolarHBondContact O-N 2.87Å; D410-R412 IonicContact OD1-NE 2.59Å; D410-R412 IonicContact OD1-NH2 3.96Å; R412-A414 PolarHBondContact O-N 3.09Å; R412-G415 WeakPolarHBondContact O-CA 3.24Å; R412-G415 PolarHBondContact O-N 3.03Å; R412-G415 VanDerWaalsContact O-N 3.08Å; R412-K416 WeakPolarHBondContact O-CG 3.25Å; R412-K416 PolarHBondContact O-N 2.99Å
413R94.8Very high93.2Very high29 Ų2960.4 Ų60.411%0.10933%0.327CS..Hα-helixtrans-58.3-47.6-172.7-173.3161.3168.4107.95.1112.6M359 K360 E365 E403 H407 D410 G415 K416 M417M359-R413 PolarHBondContact O-NH1 3.08Å; M359-R413 PolarHBondContact O-NH2 3.49Å; K360-R413 PolarHBondContact O-NH2 3.23Å; E365-R413 IonicContact OE1-CZ 3.37Å; E365-R413 IonicContact OE1-NE 3.84Å; E365-R413 PolarHBondContact OE1-NE 3.22Å; E365-R413 IonicContact OE1-NH2 2.69Å; E365-R413 PolarHBondContact OE1-NH2 2.96Å; E365-R413 IonicContact OE2-CZ 2.72Å; E365-R413 IonicContact OE2-NE 3.58Å; E365-R413 IonicContact OE2-NH2 2.66Å; E365-R413 PolarHBondContact OE2-NH2 3.25Å; E403-R413 HydrophobicContact CG-CB 4.33Å; E403-R413 HydrophobicContact CG-CG 4.44Å; E403-R413 WeakPolarHBondContact OE2-CD 3.28Å; E403-R413 VanDerWaalsContact OE2-CG 3.26Å; E403-R413 WeakPolarHBondContact OE2-CG 3.44Å; E403-R413 IonicContact OE2-NE 2.72Å; E403-R413 PolarHBondContact OE2-NE 2.84Å; H407-R413 PolarHBondContact CE1-NE 3.25Å; H407-R413 WeakPolarHBondContact ND1-CD 3.39Å; H407-R413 PolarHBondContact ND1-NE 3.08Å; H407-R413 VanDerWaalsContact ND1-NE 3.19Å; D410-R413 HydrophobicContact CB-CB 4.47Å; D410-R413 WeakPolarHBondContact O-CB 3.3Å; D410-R413 PolarHBondContact O-N 3.47Å; R413-G415 VanDerWaalsContact C-N 3.32Å; R413-G415 PolarHBondContact O-N 3.2Å; R413-K416 WeakPolarHBondContact O-CB 3.49Å; R413-K416 PolarHBondContact O-N 3.28Å; R413-K416 VanDerWaalsContact O-N 3.09Å; R413-M417 HydrophobicContact CG-SD 4.14Å; R413-M417 WeakPolarHBondContact O-CG 3.34Å; R413-M417 PolarHBondContact O-N 2.95Å
414A95.4Very high93.4Very high11 Ų1160 Ų609%0.09133%0.325CS..Hα-helixtrans-53.4-46.4172.500000112.2L399 Q400 E403 R412 M417 L418L399-A414 HydrophobicContact CD2-CB 4.07Å; L399-A414 HydrophobicContact CG-CB 3.9Å; Q400-A414 HydrophobicContact CG-CB 4.31Å; E403-A414 HydrophobicContact CB-CB 4.3Å; E403-A414 HydrophobicContact CG-CB 3.84Å; R412-A414 PolarHBondContact O-N 3.09Å; A414-M417 WeakPolarHBondContact O-CB 3.42Å; A414-M417 PolarHBondContact O-N 3.18Å; A414-L418 WeakPolarHBondContact O-CG 3.26Å; A414-L418 PolarHBondContact O-N 2.94Å
415G96.2Very high93.7Very high36 Ų3658.4 Ų58.437%0.37130%0.304SS..Hα-helixtrans-63.1-43.117600000113.2R412 R413 M417 L418 M419R412-G415 WeakPolarHBondContact O-CA 3.24Å; R412-G415 PolarHBondContact O-N 3.03Å; R412-G415 VanDerWaalsContact O-N 3.08Å; R413-G415 VanDerWaalsContact C-N 3.32Å; R413-G415 PolarHBondContact O-N 3.2Å; G415-M417 PolarHBondContact O-N 3.41Å; G415-L418 PolarHBondContact O-N 3.17Å; G415-M419 VanDerWaalsContact O-CG 3.28Å; G415-M419 WeakPolarHBondContact O-CG 3.44Å; G415-M419 PolarHBondContact O-N 3.43Å
416K95.7Very high94.1Very high83 Ų8363.7 Ų63.736%0.36132%0.323SS..Hα-helixtrans-60.9-33.9174.8-69.1171.1-176.5171.90112.3M359 D410 R412 R413M359-K416 HydrophobicContact CE-CB 3.88Å; D410-K416 IonicContact OD1-NZ 3.95Å; D410-K416 PolarHBondContact OD1-NZ 3.39Å; D410-K416 WeakPolarHBondContact OD2-CE 3.42Å; D410-K416 IonicContact OD2-NZ 2.72Å; D410-K416 PolarHBondContact OD2-NZ 3.05Å; R412-K416 WeakPolarHBondContact O-CG 3.25Å; R412-K416 PolarHBondContact O-N 2.99Å; R413-K416 WeakPolarHBondContact O-CB 3.49Å; R413-K416 PolarHBondContact O-N 3.28Å; R413-K416 VanDerWaalsContact O-N 3.09Å
417M95.7Very high94.6Very high0 Ų062.2 Ų62.20%032%0.316CS..Hα-helixtrans-72.2-48.3176-69.5166.857.700111.3M359 L361 E365 L369 L399 R413 A414 G415 M419 T420M359-M417 HydrophobicContact CE-CB 4.37Å; M359-M417 HydrophobicContact CE-CG 3.51Å; L361-M417 HydrophobicContact CD1-CE 4.34Å; E365-M417 HydrophobicContact CB-CE 3.53Å; E365-M417 HydrophobicContact CB-SD 4.39Å; E365-M417 HydrophobicContact CG-CE 3.89Å; E365-M417 HydrophobicContact CG-SD 4.21Å; L369-M417 HydrophobicContact CD1-CB 4.27Å; L369-M417 HydrophobicContact CD1-CE 3.77Å; L369-M417 HydrophobicContact CD2-CB 4.2Å; L369-M417 HydrophobicContact CD2-CE 4.43Å; L369-M417 HydrophobicContact CG-CE 3.78Å; L399-M417 HydrophobicContact CD1-CE 3.52Å; L399-M417 HydrophobicContact CD1-SD 4.16Å; L399-M417 HydrophobicContact CD2-CE 4.23Å; R413-M417 HydrophobicContact CG-SD 4.14Å; R413-M417 WeakPolarHBondContact O-CG 3.34Å; R413-M417 PolarHBondContact O-N 2.95Å; A414-M417 WeakPolarHBondContact O-CB 3.42Å; A414-M417 PolarHBondContact O-N 3.18Å; G415-M417 PolarHBondContact O-N 3.41Å; M417-M419 PolarHBondContact O-N 3.35Å; M417-T420 WeakPolarHBondContact O-CB 3.44Å; M417-T420 PolarHBondContact O-N 3.44Å; M417-T420 PolarHBondContact O-OG1 3.34Å
418L96.8Very high95.1Very high47 Ų4761.1 Ų61.125%0.24631%0.312CS..Hα-helixtrans-58.9-35.4175.6-66.4173.4000112.1I372 L399 A414 G415 T420 L421I372-L418 HydrophobicContact CD1-CD2 4.17Å; I372-L418 HydrophobicContact CG2-CD2 3.98Å; L399-L418 HydrophobicContact CD2-CD2 4.33Å; L399-L418 HydrophobicContact CD2-CG 4.33Å; A414-L418 WeakPolarHBondContact O-CG 3.26Å; A414-L418 PolarHBondContact O-N 2.94Å; G415-L418 PolarHBondContact O-N 3.17Å; L418-T420 PolarHBondContact O-N 3.11Å; L418-L421 HydrophobicContact CD2-CD1 3.93Å; L418-L421 WeakPolarHBondContact O-CB 3.49Å; L418-L421 WeakPolarHBondContact O-CG 3.11Å; L418-L421 PolarHBondContact O-N 3.3Å; L418-L421 VanDerWaalsContact O-N 3.09Å
419M96.9Very high95.5Very high155 Ų15558.2 Ų58.276%0.76430%0.302SS*.THydrogen-bonded Turntrans-65.8-0.5172.7-70.7-1787700115.1G415 M417G415-M419 VanDerWaalsContact O-CG 3.28Å; G415-M419 WeakPolarHBondContact O-CG 3.44Å; G415-M419 PolarHBondContact O-N 3.43Å; M417-M419 PolarHBondContact O-N 3.35Å
420T96.9Very high95.8Very high3 Ų355.1 Ų55.12%0.01829%0.287CS..THydrogen-bonded Turntrans-90.1-21169.6650000113.6K355 Y356 M359 M417 L418 P422 L423 L424K355-T420 HydrophobicContact CD-CG2 4.48Å; K355-T420 HydrophobicContact CG-CG2 3.9Å; Y356-T420 HydrophobicContact CE1-CG2 3.87Å; Y356-T420 WeakPolarHBondContact CE1-OG1 3.41Å; Y356-T420 WeakPolarHBondContact OH-CB 3.49Å; Y356-T420 PolarHBondContact OH-OG1 2.98Å; M359-T420 HydrophobicContact SD-CG2 4.3Å; M417-T420 WeakPolarHBondContact O-CB 3.44Å; M417-T420 PolarHBondContact O-N 3.44Å; M417-T420 PolarHBondContact O-OG1 3.34Å; L418-T420 PolarHBondContact O-N 3.11Å; T420-P422 VanDerWaalsContact C-CD 3.48Å; T420-L423 PolarHBondContact O-N 3.33Å; T420-L424 PolarHBondContact O-N 3.05Å; T420-L424 VanDerWaalsContact O-N 3.11Å
421L97.1Very high96.1Very high13 Ų1354 Ų547%0.06828%0.281CS..Hα-helixtrans-57.9-37.1-177-61.7173.3000113.9L369 I372 A373 L418 L423 L424 R425L369-L421 HydrophobicContact CD2-CD2 4.29Å; I372-L421 HydrophobicContact CG2-CD1 3.89Å; A373-L421 HydrophobicContact CB-CD2 4.48Å; L418-L421 HydrophobicContact CD2-CD1 3.93Å; L418-L421 WeakPolarHBondContact O-CB 3.49Å; L418-L421 WeakPolarHBondContact O-CG 3.11Å; L418-L421 PolarHBondContact O-N 3.3Å; L418-L421 VanDerWaalsContact O-N 3.09Å; L421-L423 VanDerWaalsContact C-N 3.31Å; L421-L423 PolarHBondContact O-N 2.96Å; L421-L424 HydrophobicContact CD2-CD2 4.12Å; L421-L424 WeakPolarHBondContact O-CB 3.37Å; L421-L424 PolarHBondContact O-N 3.14Å; L421-R425 WeakPolarHBondContact O-CB 3.44Å; L421-R425 PolarHBondContact O-N 3.35Å
422P96.8Very high96.5Very high91 Ų9149 Ų4959%0.59125%0.248SC*.Hα-helixtrans-63-33.5175.4-25.136.2000114T420 Q426T420-P422 VanDerWaalsContact C-CD 3.48Å; P422-Q426 WeakPolarHBondContact O-CB 3.46Å; P422-Q426 PolarHBondContact O-N 2.93Å
423L97.3Very high96.6Very high45 Ų4545.5 Ų45.524%0.23624%0.239CC..Hα-helixtrans-75.1-36175.9-17761.1000111L352 T420 L421 Q426 T427L352-L423 HydrophobicContact CD2-CB 4.09Å; L352-L423 HydrophobicContact CD2-CD2 3.89Å; L352-L423 HydrophobicContact CD2-CG 3.75Å; L352-L423 HydrophobicContact CG-CD2 4.35Å; L352-L423 HydrophobicContact CG-CG 4.21Å; T420-L423 PolarHBondContact O-N 3.33Å; L421-L423 VanDerWaalsContact C-N 3.31Å; L421-L423 PolarHBondContact O-N 2.96Å; L423-Q426 PolarHBondContact O-N 3Å; L423-T427 PolarHBondContact O-N 3.31Å; L423-T427 PolarHBondContact O-OG1 2.99Å
424L97.9Very high96.6Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-61.7-48.9173177.964000111.3E307 I310 L311 L352 A373 T420 L421 Q426 T427 S428E307-L424 HydrophobicContact CB-CD1 4.28Å; E307-L424 HydrophobicContact CB-CD2 3.96Å; E307-L424 HydrophobicContact CB-CG 3.9Å; E307-L424 HydrophobicContact CG-CD2 4.46Å; E307-L424 HydrophobicContact CG-CG 4.04Å; I310-L424 HydrophobicContact CB-CD1 4.14Å; I310-L424 HydrophobicContact CG2-CD1 3.74Å; L311-L424 HydrophobicContact CD1-CD2 3.62Å; L311-L424 HydrophobicContact CD2-CD1 4.18Å; L311-L424 HydrophobicContact CD2-CD2 3.94Å; L311-L424 HydrophobicContact CG-CD1 3.89Å; L311-L424 HydrophobicContact CG-CD2 3.61Å; L311-L424 HydrophobicContact CG-CG 4.41Å; L352-L424 HydrophobicContact CD1-CD1 4.08Å; L352-L424 HydrophobicContact CD2-CB 4.38Å; A373-L424 HydrophobicContact CB-CD2 4.27Å; T420-L424 PolarHBondContact O-N 3.05Å; T420-L424 VanDerWaalsContact O-N 3.11Å; L421-L424 HydrophobicContact CD2-CD2 4.12Å; L421-L424 WeakPolarHBondContact O-CB 3.37Å; L421-L424 PolarHBondContact O-N 3.14Å; L424-Q426 VanDerWaalsContact C-N 3.34Å; L424-Q426 PolarHBondContact O-N 3.3Å; L424-T427 PolarHBondContact O-N 2.82Å; L424-S428 VanDerWaalsContact O-CB 3.25Å; L424-S428 WeakPolarHBondContact O-CB 3.48Å; L424-S428 PolarHBondContact O-N 3.38Å
425R96.6Very high96.6Very high33 Ų3346.8 Ų46.813%0.12524%0.244CC..Hα-helixtrans-56.3-45.3173.9-178.959.652.169.6-3.6111.5E307 N376 D378 L421 S428 T429E307-R425 VanDerWaalsContact CD-NE 3.27Å; E307-R425 IonicContact OE1-CZ 2.69Å; E307-R425 IonicContact OE1-NE 2.72Å; E307-R425 PolarHBondContact OE1-NE 3.21Å; E307-R425 IonicContact OE1-NH2 3.11Å; E307-R425 PolarHBondContact OE1-NH2 3.04Å; E307-R425 IonicContact OE2-CZ 3.76Å; E307-R425 IonicContact OE2-NE 3.69Å; E307-R425 PolarHBondContact OE2-NE 2.89Å; E307-R425 IonicContact OE2-NH2 3.37Å; E307-R425 PolarHBondContact OE2-NH2 2.98Å; N376-R425 PolarHBondContact O-NH2 3.27Å; D378-R425 IonicContact OD1-CZ 2.73Å; D378-R425 IonicContact OD1-NH1 3.98Å; D378-R425 PolarHBondContact OD1-NH1 3.26Å; D378-R425 IonicContact OD2-CZ 2.76Å; D378-R425 IonicContact OD2-NH1 2.77Å; D378-R425 PolarHBondContact OD2-NH1 2.92Å; L421-R425 WeakPolarHBondContact O-CB 3.44Å; L421-R425 PolarHBondContact O-N 3.35Å; R425-S428 WeakPolarHBondContact O-CB 2.96Å; R425-S428 PolarHBondContact O-N 3.09Å; R425-T429 PolarHBondContact O-N 3.02Å; R425-T429 PolarHBondContact O-OG1 2.72Å
426Q96.8Very high96.6Very high133 Ų13347.5 Ų47.562%0.62124%0.236SC*.Hα-helixtrans-61.8-47.9177.2-173.2179.124.500112.9P422 L423 L424 S428 T429 K430P422-Q426 WeakPolarHBondContact O-CB 3.46Å; P422-Q426 PolarHBondContact O-N 2.93Å; L423-Q426 PolarHBondContact O-N 3Å; L424-Q426 VanDerWaalsContact C-N 3.34Å; L424-Q426 PolarHBondContact O-N 3.3Å; Q426-S428 VanDerWaalsContact C-N 3.31Å; Q426-S428 PolarHBondContact O-N 3.32Å; Q426-T429 PolarHBondContact O-N 3.26Å; Q426-K430 PolarHBondContact O-N 3.06Å; Q426-K430 VanDerWaalsContact O-N 3.1Å
427T97.9Very high96.6Very high4 Ų446.9 Ų46.93%0.02524%0.237CC..Hα-helixtrans-66.6-34.5177.6-59.80000111.5I310 L345 A348 I349 L352 L423 L424 K430 A431I310-T427 HydrophobicContact CD1-CG2 4.18Å; I310-T427 HydrophobicContact CG2-CG2 4.45Å; L345-T427 HydrophobicContact CD1-CG2 4.21Å; A348-T427 HydrophobicContact CB-CG2 3.88Å; A348-T427 PolarHBondContact O-OG1 2.93Å; I349-T427 HydrophobicContact CG1-CG2 3.66Å; L352-T427 HydrophobicContact CD1-CG2 4.11Å; L423-T427 PolarHBondContact O-N 3.31Å; L423-T427 PolarHBondContact O-OG1 2.99Å; L424-T427 PolarHBondContact O-N 2.82Å; T427-K430 PolarHBondContact O-N 3.43Å; T427-A431 WeakPolarHBondContact O-CB 3.45Å; T427-A431 PolarHBondContact O-N 3.3Å
428S97.1Very high96.5Very high2 Ų247.5 Ų47.51%0.01424%0.24CC..Hα-helixtrans-62.1-49173.1176.80000112.6M306 E307 I310 L424 R425 Q426 K430 A431 V432M306-S428 WeakPolarHBondContact CB-OG 3.5Å; E307-S428 VanDerWaalsContact CG-CB 3.44Å; E307-S428 WeakPolarHBondContact CG-OG 3.37Å; E307-S428 PolarHBondContact N-OG 2.78Å; I310-S428 VanDerWaalsContact CD1-CA 3.48Å; L424-S428 VanDerWaalsContact O-CB 3.25Å; L424-S428 WeakPolarHBondContact O-CB 3.48Å; L424-S428 PolarHBondContact O-N 3.38Å; R425-S428 WeakPolarHBondContact O-CB 2.96Å; R425-S428 PolarHBondContact O-N 3.09Å; Q426-S428 VanDerWaalsContact C-N 3.31Å; Q426-S428 PolarHBondContact O-N 3.32Å; S428-K430 VanDerWaalsContact C-N 3.28Å; S428-K430 PolarHBondContact O-N 2.93Å; S428-A431 PolarHBondContact O-N 2.9Å; S428-A431 VanDerWaalsContact O-N 3.12Å; S428-V432 WeakPolarHBondContact O-CG2 3.45Å; S428-V432 PolarHBondContact O-N 2.83Å
429T95.8Very high96.4Very high89 Ų8947.5 Ų47.555%0.54624%0.238SC..Hα-helixtrans-58.2-40.4173.6-57.80000111.8R425 Q426 Q433R425-T429 PolarHBondContact O-N 3.02Å; R425-T429 PolarHBondContact O-OG1 2.72Å; Q426-T429 PolarHBondContact O-N 3.26Å; T429-Q433 WeakPolarHBondContact O-CB 3.36Å; T429-Q433 PolarHBondContact O-N 2.96Å
430K96.6Very high96.4Very high80 Ų8045.8 Ų45.835%0.34823%0.231SC..Hα-helixtrans-63.9-41175.5-169.4175.4-172.4176.10112.3D344 A348 Q426 T427 S428 H434D344-K430 VanDerWaalsContact CG-NZ 3.3Å; D344-K430 WeakPolarHBondContact O-CE 3.27Å; D344-K430 PolarHBondContact O-NZ 3.12Å; D344-K430 IonicContact OD1-NZ 2.78Å; D344-K430 WeakPolarHBondContact OD2-CE 3.27Å; D344-K430 IonicContact OD2-NZ 2.6Å; D344-K430 PolarHBondContact OD2-NZ 2.82Å; A348-K430 HydrophobicContact CB-CD 4.29Å; Q426-K430 PolarHBondContact O-N 3.06Å; Q426-K430 VanDerWaalsContact O-N 3.1Å; T427-K430 PolarHBondContact O-N 3.43Å; S428-K430 VanDerWaalsContact C-N 3.28Å; S428-K430 PolarHBondContact O-N 2.93Å; K430-H434 WeakPolarHBondContact O-CB 3.29Å; K430-H434 PolarHBondContact O-N 2.72Å; K430-H434 VanDerWaalsContact O-N 3.08Å
431A97.5Very high96.2Very high1 Ų151.1 Ų51.11%0.00826%0.256CS..Hα-helixtrans-65.4-48.1177.500000112M306 I310 L345 T427 S428 Q433 H434 F435M306-A431 HydrophobicContact CE-CB 3.93Å; M306-A431 HydrophobicContact CG-CB 3.81Å; M306-A431 HydrophobicContact SD-CB 3.63Å; I310-A431 HydrophobicContact CD1-CB 3.95Å; L345-A431 HydrophobicContact CD1-CB 3.85Å; L345-A431 HydrophobicContact CD2-CB 3.98Å; T427-A431 WeakPolarHBondContact O-CB 3.45Å; T427-A431 PolarHBondContact O-N 3.3Å; S428-A431 PolarHBondContact O-N 2.9Å; S428-A431 VanDerWaalsContact O-N 3.12Å; A431-Q433 PolarHBondContact O-N 3.03Å; A431-H434 PolarHBondContact O-N 3.31Å; A431-F435 WeakPolarHBondContact O-CD2 3.32Å; A431-F435 PolarHBondContact O-N 2.8Å
432V96.8Very high96Very high8 Ų853.6 Ų53.65%0.04828%0.284CS..Hα-helixtrans-55.9-50.3175.9171.50000110.6W305 M306 S428 H434 F435 Y436 L454 K457 V458W305-V432 HydrophobicContact CZ2-CG2 4.38Å; M306-V432 HydrophobicContact CB-CG2 3.93Å; M306-V432 HydrophobicContact CE-CG2 4.1Å; M306-V432 HydrophobicContact CG-CG2 3.95Å; S428-V432 WeakPolarHBondContact O-CG2 3.45Å; S428-V432 PolarHBondContact O-N 2.83Å; V432-H434 VanDerWaalsContact C-N 3.27Å; V432-H434 PolarHBondContact O-N 2.99Å; V432-F435 PolarHBondContact O-N 3.11Å; V432-Y436 VanDerWaalsContact O-CB 3.3Å; V432-Y436 WeakPolarHBondContact O-CB 3.41Å; V432-Y436 PolarHBondContact O-N 3.04Å; V432-L454 HydrophobicContact CG1-CD2 4.24Å; V432-K457 HydrophobicContact CG1-CB 3.88Å; V432-V458 HydrophobicContact CG1-CG2 3.84Å
433Q95.9Very high95.8Very high93 Ų9355 Ų5544%0.43528%0.281SS..Hα-helixtrans-60.1-38.2179.7-174.265.371.500112.1T429 A431 N437T429-Q433 WeakPolarHBondContact O-CB 3.36Å; T429-Q433 PolarHBondContact O-N 2.96Å; A431-Q433 PolarHBondContact O-N 3.03Å; Q433-N437 PolarHBondContact NE2-OD1 3.39Å; Q433-N437 PolarHBondContact O-N 3.21Å; Q433-N437 PolarHBondContact O-OD1 2.99Å; Q433-N437 VanDerWaalsContact O-OD1 3.12Å
434H95.1Very high95.6Very high48 Ų4853.4 Ų53.422%0.22227%0.273CS..Hα-helixtrans-67.2-48178.8-169.887.8000111.9G341 L342 K430 A431 V432 Y436 N437 I438G341-H434 PolarHBondContact O-CE1 2.99Å; L342-H434 WeakPolarHBondContact CD2-NE2 3.42Å; K430-H434 WeakPolarHBondContact O-CB 3.29Å; K430-H434 PolarHBondContact O-N 2.72Å; K430-H434 VanDerWaalsContact O-N 3.08Å; A431-H434 PolarHBondContact O-N 3.31Å; V432-H434 VanDerWaalsContact C-N 3.27Å; V432-H434 PolarHBondContact O-N 2.99Å; H434-Y436 VanDerWaalsContact C-N 3.35Å; H434-Y436 PolarHBondContact O-N 3.45Å; H434-N437 WeakPolarHBondContact O-CB 3.17Å; H434-N437 PolarHBondContact O-N 2.74Å; H434-I438 VanDerWaalsContact CD2-CD1 3.47Å; H434-I438 WeakPolarHBondContact CD2-CD1 3.25Å; H434-I438 WeakPolarHBondContact O-CG1 3.45Å; H434-I438 PolarHBondContact O-N 3.15Å
435F96.2Very high95.4Very high19 Ų1957.1 Ų57.18%0.08330%0.297CS..Hα-helixtrans-67.2-33.3176-77-71.6000113L268 M306 A431 V432 N437 I438 K439 F450 L454L268-F435 HydrophobicContact CB-CZ 4.47Å; M306-F435 HydrophobicContact CE-CD2 3.88Å; M306-F435 HydrophobicContact CE-CE2 4.42Å; A431-F435 WeakPolarHBondContact O-CD2 3.32Å; A431-F435 PolarHBondContact O-N 2.8Å; V432-F435 PolarHBondContact O-N 3.11Å; F435-N437 VanDerWaalsContact C-N 3.35Å; F435-I438 HydrophobicContact CD1-CD1 4.03Å; F435-I438 HydrophobicContact CE1-CD1 4.39Å; F435-I438 PolarHBondContact O-N 3.05Å; F435-K439 PolarHBondContact O-N 2.99Å; F435-F450 HydrophobicContact CB-CE1 4.37Å; F435-F450 HydrophobicContact CB-CZ 4.08Å; F435-F450 HydrophobicContact CD1-CE1 4.04Å; F435-F450 AromaticContact CD1-CZ 3.77Å; F435-F450 HydrophobicContact CD1-CZ 3.77Å; F435-F450 HydrophobicContact CD2-CZ 4.29Å; F435-F450 HydrophobicContact CE1-CZ 4.26Å; F435-F450 HydrophobicContact CG-CE1 4.33Å; F435-F450 AromaticContact CG-CZ 3.79Å; F435-F450 HydrophobicContact CG-CZ 3.79Å; F435-L454 HydrophobicContact CB-CD1 4.15Å; F435-L454 HydrophobicContact CB-CD2 3.84Å
436Y96Very high95.3Very high50 Ų5056.9 Ų56.920%0.19630%0.298CS..Hα-helixtrans-64.4-38.4171.8-166.6-83.6000111.8V432 H434 K439 L440 V458V432-Y436 VanDerWaalsContact O-CB 3.3Å; V432-Y436 WeakPolarHBondContact O-CB 3.41Å; V432-Y436 PolarHBondContact O-N 3.04Å; H434-Y436 VanDerWaalsContact C-N 3.35Å; H434-Y436 PolarHBondContact O-N 3.45Å; Y436-K439 WeakPolarHBondContact O-CB 3.2Å; Y436-K439 PolarHBondContact O-N 3.32Å; Y436-L440 HydrophobicContact CD1-CD1 3.97Å; Y436-L440 HydrophobicContact CD1-CG 4.08Å; Y436-L440 HydrophobicContact CE1-CD1 3.82Å; Y436-L440 HydrophobicContact CE1-CD2 4.16Å; Y436-L440 HydrophobicContact CE1-CG 3.97Å; Y436-L440 WeakPolarHBondContact O-CG 3.4Å; Y436-L440 PolarHBondContact O-N 2.86Å; Y436-V458 HydrophobicContact CD1-CG1 4.32Å; Y436-V458 HydrophobicContact CD2-CB 3.8Å; Y436-V458 HydrophobicContact CD2-CG1 4.06Å; Y436-V458 HydrophobicContact CD2-CG2 3.58Å; Y436-V458 HydrophobicContact CE1-CG1 4Å; Y436-V458 HydrophobicContact CE2-CB 3.57Å; Y436-V458 HydrophobicContact CE2-CG1 3.7Å; Y436-V458 HydrophobicContact CE2-CG2 3.94Å; Y436-V458 HydrophobicContact CG-CB 4.45Å; Y436-V458 HydrophobicContact CG-CG1 4.34Å; Y436-V458 HydrophobicContact CG-CG2 4.03Å
437N94.9Very high95.1Very high70 Ų7055 Ų5537%0.37429%0.289SS..Hα-helixtrans-64.3-43.5173.2-66.9-4000111.5Q433 H434 F435 K439 L440 E441Q433-N437 PolarHBondContact NE2-OD1 3.39Å; Q433-N437 PolarHBondContact O-N 3.21Å; Q433-N437 PolarHBondContact O-OD1 2.99Å; Q433-N437 VanDerWaalsContact O-OD1 3.12Å; H434-N437 WeakPolarHBondContact O-CB 3.17Å; H434-N437 PolarHBondContact O-N 2.74Å; F435-N437 VanDerWaalsContact C-N 3.35Å; N437-K439 VanDerWaalsContact C-N 3.3Å; N437-K439 PolarHBondContact O-N 2.91Å; N437-L440 WeakPolarHBondContact O-CB 3.37Å; N437-L440 PolarHBondContact O-N 3.27Å; N437-L440 VanDerWaalsContact O-N 3.11Å; N437-E441 PolarHBondContact O-N 3.38Å; N437-E441 VanDerWaalsContact O-N 3.07Å
438I94.4Very high95Very high13 Ų1360.3 Ų60.37%0.06731%0.312CS..Hα-helixtrans-60.4-40.7175.7-64.3160.6000111.1L265 H434 F435 L440 E441 G442 V444 M446L265-I438 HydrophobicContact CD1-CD1 3.85Å; L265-I438 HydrophobicContact CD1-CG1 4.15Å; L265-I438 HydrophobicContact CD1-CG2 4.27Å; L265-I438 HydrophobicContact CD2-CD1 3.67Å; L265-I438 HydrophobicContact CG-CD1 4.31Å; H434-I438 VanDerWaalsContact CD2-CD1 3.47Å; H434-I438 WeakPolarHBondContact CD2-CD1 3.25Å; H434-I438 WeakPolarHBondContact O-CG1 3.45Å; H434-I438 PolarHBondContact O-N 3.15Å; F435-I438 HydrophobicContact CD1-CD1 4.03Å; F435-I438 HydrophobicContact CE1-CD1 4.39Å; F435-I438 PolarHBondContact O-N 3.05Å; I438-L440 PolarHBondContact O-N 3.48Å; I438-E441 PolarHBondContact O-N 3.15Å; I438-G442 PolarHBondContact O-N 3.44Å; I438-V444 HydrophobicContact CG2-CB 3.79Å; I438-V444 HydrophobicContact CG2-CG1 4.48Å; I438-V444 HydrophobicContact CG2-CG2 3.69Å; I438-M446 HydrophobicContact CB-CE 4Å; I438-M446 HydrophobicContact CG2-CE 3.68Å
439K94.8Very high94.9Very high47 Ų4760.7 Ų60.720%0.20431%0.314CS..Hα-helixtrans-57.6-46.5172.7174.5-164.6172.2-171.10111.5F435 Y436 N437 E441 G442 M446 L451 E455F435-K439 PolarHBondContact O-N 2.99Å; Y436-K439 WeakPolarHBondContact O-CB 3.2Å; Y436-K439 PolarHBondContact O-N 3.32Å; N437-K439 VanDerWaalsContact C-N 3.3Å; N437-K439 PolarHBondContact O-N 2.91Å; K439-E441 VanDerWaalsContact C-N 3.26Å; K439-E441 PolarHBondContact O-N 3.47Å; K439-G442 PolarHBondContact O-N 2.91Å; K439-G442 VanDerWaalsContact O-N 3.11Å; K439-M446 HydrophobicContact CB-CE 4.13Å; K439-M446 HydrophobicContact CB-SD 3.9Å; K439-M446 HydrophobicContact CG-SD 4.47Å; K439-L451 HydrophobicContact CD-CD2 3.73Å; K439-L451 HydrophobicContact CG-CD2 3.76Å; K439-E455 VanDerWaalsContact NZ-CD 3.32Å; K439-E455 IonicContact NZ-OE1 2.62Å; K439-E455 PolarHBondContact NZ-OE1 3.38Å
440L95.1Very high94.9Very high120 Ų12056.5 Ų56.563%0.62829%0.288SS*.Hα-helixtrans-63.9-28.4177.9-69179000113.1Y436 N437 I438 G442Y436-L440 HydrophobicContact CD1-CD1 3.97Å; Y436-L440 HydrophobicContact CD1-CG 4.08Å; Y436-L440 HydrophobicContact CE1-CD1 3.82Å; Y436-L440 HydrophobicContact CE1-CD2 4.16Å; Y436-L440 HydrophobicContact CE1-CG 3.97Å; Y436-L440 WeakPolarHBondContact O-CG 3.4Å; Y436-L440 PolarHBondContact O-N 2.86Å; N437-L440 WeakPolarHBondContact O-CB 3.37Å; N437-L440 PolarHBondContact O-N 3.27Å; N437-L440 VanDerWaalsContact O-N 3.11Å; I438-L440 PolarHBondContact O-N 3.48Å; L440-G442 VanDerWaalsContact C-N 3.33Å
441E94.3Very high94.8Very high115 Ų11554.9 Ų54.954%0.53728%0.283SS..Hα-helixtrans-74.6-20.8174-68.9-172.3-155.900113.6N437 I438 K439 K443N437-E441 PolarHBondContact O-N 3.38Å; N437-E441 VanDerWaalsContact O-N 3.07Å; I438-E441 PolarHBondContact O-N 3.15Å; K439-E441 VanDerWaalsContact C-N 3.26Å; K439-E441 PolarHBondContact O-N 3.47Å; E441-K443 HydrophobicContact CB-CD 4.34Å; E441-K443 HydrophobicContact CB-CG 4.3Å; E441-K443 PolarHBondContact O-N 2.87Å; E441-K443 VanDerWaalsContact O-N 3.1Å; E441-K443 WeakPolarHBondContact OE2-CD 3.48Å; E441-K443 WeakPolarHBondContact OE2-CE 3.41Å; E441-K443 IonicContact OE2-NZ 2.63Å; E441-K443 PolarHBondContact OE2-NZ 3.23Å
442G93.2Very high94.6Very high64 Ų6455.7 Ų55.766%0.6629%0.286SS*.THydrogen-bonded Turntrans65.99.8174.800000116.1I438 K439 L440I438-G442 PolarHBondContact O-N 3.44Å; K439-G442 PolarHBondContact O-N 2.91Å; K439-G442 VanDerWaalsContact O-N 3.11Å; L440-G442 VanDerWaalsContact C-N 3.33Å
443K90.9Very high94.5Very high120 Ų12055.3 Ų55.352%0.52228%0.284SS..  trans-80.8-27.8-176.5-64.1172.1-175.8165.70114.4E441E441-K443 HydrophobicContact CB-CD 4.34Å; E441-K443 HydrophobicContact CB-CG 4.3Å; E441-K443 PolarHBondContact O-N 2.87Å; E441-K443 VanDerWaalsContact O-N 3.1Å; E441-K443 WeakPolarHBondContact OE2-CD 3.48Å; E441-K443 WeakPolarHBondContact OE2-CE 3.41Å; E441-K443 IonicContact OE2-NZ 2.63Å; E441-K443 PolarHBondContact OE2-NZ 3.23Å
444V94Very high94.5Very high12 Ų1250.9 Ų50.97%0.07326%0.264CS..SBendtrans-111.3126.2-171.51770000107.9L265 I438L265-V444 HydrophobicContact CB-CG1 4.12Å; L265-V444 HydrophobicContact CB-CG2 3.75Å; L265-V444 HydrophobicContact CD1-CG2 4.1Å; I438-V444 HydrophobicContact CG2-CB 3.79Å; I438-V444 HydrophobicContact CG2-CG1 4.48Å; I438-V444 HydrophobicContact CG2-CG2 3.69Å
445P92.8Very high94.4Very high78 Ų7853.5 Ų53.551%0.50628%0.276SS..  trans-65.5140.5174.229.7-34000109.6T266T266-P445 HydrophobicContact CG2-CG 3.85Å
446M94.4Very high94Very high28 Ų2854.4 Ų54.414%0.13829%0.287CS..  trans-132.5136176.1-67.5-176.5-17700109.1C269 I438 K439 F450 L451 L454C269-M446 HydrophobicContact CB-CG 4.35Å; I438-M446 HydrophobicContact CB-CE 4Å; I438-M446 HydrophobicContact CG2-CE 3.68Å; K439-M446 HydrophobicContact CB-CE 4.13Å; K439-M446 HydrophobicContact CB-SD 3.9Å; K439-M446 HydrophobicContact CG-SD 4.47Å; M446-F450 HydrophobicContact CB-CD1 4.22Å; M446-F450 HydrophobicContact CE-CE1 4.24Å; M446-F450 HydrophobicContact CG-CD1 4.07Å; M446-F450 HydrophobicContact CG-CE1 4.34Å; M446-F450 HydrophobicContact SD-CD1 3.91Å; M446-F450 HydrophobicContact SD-CE1 3.89Å; M446-L451 HydrophobicContact CB-CD1 4.14Å; M446-L451 HydrophobicContact CB-CD2 3.76Å; M446-L451 HydrophobicContact CB-CG 3.74Å; M446-L451 HydrophobicContact CG-CD2 4.4Å; M446-L451 HydrophobicContact SD-CD2 3.8Å; M446-L454 HydrophobicContact SD-CD1 4.06Å
447H94.4Very high93.3Very high95 Ų9555.4 Ų55.444%0.4429%0.292SS..  trans-71.2156176-73.6-58.4000111.9D270 D273 L449 F450 L451D270-H447 IonicContact OD1-CD2 3.85Å; D270-H447 IonicContact OD1-NE2 3.36Å; D273-H447 HydrophobicContact CB-CB 3.92Å; D273-H447 WeakPolarHBondContact OD1-CB 3.22Å; H447-L449 VanDerWaalsContact C-N 3.34Å; H447-L449 PolarHBondContact O-N 3.5Å; H447-F450 PolarHBondContact O-N 2.79Å; H447-L451 WeakPolarHBondContact O-CG 3.11Å; H447-L451 PolarHBondContact O-N 2.72Å
448K94.8Very high92.4Very high114 Ų11457.3 Ų57.350%0.49631%0.306SS..Hα-helixtrans-59-40.8-172-177176.3173.4-167.90112.6E19 L451 E452E19-K448 IonicContact OE1-NZ 3.05Å; E19-K448 PolarHBondContact OE1-NZ 3.13Å; E19-K448 IonicContact OE2-NZ 3.67Å; E19-K448 PolarHBondContact OE2-NZ 3.45Å; K448-L451 PolarHBondContact O-N 3.18Å; K448-E452 WeakPolarHBondContact CE-OE1 3.3Å; K448-E452 HydrophobicContact CG-CG 4.34Å; K448-E452 IonicContact NZ-OE1 3.6Å; K448-E452 WeakPolarHBondContact O-CB 3.28Å; K448-E452 WeakPolarHBondContact O-CG 3.05Å; K448-E452 PolarHBondContact O-N 2.92Å
449L94.8Very high92.3Very high10 Ų1059.6 Ų59.65%0.05232%0.318CS..Hα-helixtrans-68.2-45.2179.3173.564.3000111.9D273 L276 V277 I280 H447 L451 E452 M453D273-L449 WeakPolarHBondContact OD1-CB 3.46Å; L276-L449 HydrophobicContact CB-CD2 3.9Å; L276-L449 HydrophobicContact CB-CG 4.35Å; L276-L449 HydrophobicContact CD1-CG 4.38Å; V277-L449 HydrophobicContact CG2-CD2 3.61Å; I280-L449 HydrophobicContact CD1-CD1 3.94Å; I280-L449 HydrophobicContact CD1-CD2 3.96Å; H447-L449 VanDerWaalsContact C-N 3.34Å; H447-L449 PolarHBondContact O-N 3.5Å; L449-L451 VanDerWaalsContact C-N 3.27Å; L449-L451 PolarHBondContact O-N 2.76Å; L449-E452 WeakPolarHBondContact CA-OE2 3.37Å; L449-E452 PolarHBondContact O-N 3.32Å; L449-M453 HydrophobicContact CD1-CG 3.78Å; L449-M453 HydrophobicContact CD1-SD 4.24Å; L449-M453 HydrophobicContact CG-CG 4.34Å; L449-M453 WeakPolarHBondContact O-CB 3.37Å; L449-M453 VanDerWaalsContact O-CG 3.22Å; L449-M453 WeakPolarHBondContact O-CG 3.42Å; L449-M453 PolarHBondContact O-N 3.07Å
450F95.3Very high92.2Very high1 Ų160.2 Ų60.20%0.00432%0.324CS..Hα-helixtrans-58.4-39.4174.4-171.4-114.1000112.3C269 A272 D273 L276 W305 F435 M446 H447 M453 L454C269-F450 HydrophobicContact CB-CD1 4.35Å; C269-F450 HydrophobicContact CB-CE1 4.17Å; A272-F450 HydrophobicContact CB-CD2 3.78Å; A272-F450 HydrophobicContact CB-CE2 3.5Å; A272-F450 VanDerWaalsContact CB-CE2 3.5Å; A272-F450 HydrophobicContact CB-CZ 4.26Å; D273-F450 HydrophobicContact CB-CB 4.2Å; D273-F450 PolarHBondContact OD1-N 2.85Å; L276-F450 HydrophobicContact CD1-CB 4.36Å; L276-F450 HydrophobicContact CD1-CD2 3.88Å; W305-F450 HydrophobicContact CH2-CD2 4.07Å; W305-F450 AromaticContact CH2-CE2 3.71Å; W305-F450 HydrophobicContact CH2-CE2 3.71Å; W305-F450 HydrophobicContact CZ3-CD2 4.04Å; W305-F450 AromaticContact CZ3-CE2 3.71Å; W305-F450 HydrophobicContact CZ3-CE2 3.71Å; F435-F450 HydrophobicContact CB-CE1 4.37Å; F435-F450 HydrophobicContact CB-CZ 4.08Å; F435-F450 HydrophobicContact CD1-CE1 4.04Å; F435-F450 AromaticContact CD1-CZ 3.77Å; F435-F450 HydrophobicContact CD1-CZ 3.77Å; F435-F450 HydrophobicContact CD2-CZ 4.29Å; F435-F450 HydrophobicContact CE1-CZ 4.26Å; F435-F450 HydrophobicContact CG-CE1 4.33Å; F435-F450 AromaticContact CG-CZ 3.79Å; F435-F450 HydrophobicContact CG-CZ 3.79Å; M446-F450 HydrophobicContact CB-CD1 4.22Å; M446-F450 HydrophobicContact CE-CE1 4.24Å; M446-F450 HydrophobicContact CG-CD1 4.07Å; M446-F450 HydrophobicContact CG-CE1 4.34Å; M446-F450 HydrophobicContact SD-CD1 3.91Å; M446-F450 HydrophobicContact SD-CE1 3.89Å; H447-F450 PolarHBondContact O-N 2.79Å; F450-M453 PolarHBondContact O-N 2.58Å; F450-L454 HydrophobicContact CD1-CD1 3.87Å; F450-L454 HydrophobicContact CE1-CD1 3.66Å; F450-L454 HydrophobicContact CE1-CG 4.49Å; F450-L454 HydrophobicContact CZ-CD1 4.13Å; F450-L454 WeakPolarHBondContact O-CG 3.26Å; F450-L454 PolarHBondContact O-N 2.65Å
451L95.3Very high92Very high47 Ų4756.9 Ų56.925%0.24631%0.307CS..Hα-helixtrans-64.7-47.5173.2-69.7171000112.7K439 M446 H447 K448 L449 M453 L454 E455K439-L451 HydrophobicContact CD-CD2 3.73Å; K439-L451 HydrophobicContact CG-CD2 3.76Å; M446-L451 HydrophobicContact CB-CD1 4.14Å; M446-L451 HydrophobicContact CB-CD2 3.76Å; M446-L451 HydrophobicContact CB-CG 3.74Å; M446-L451 HydrophobicContact CG-CD2 4.4Å; M446-L451 HydrophobicContact SD-CD2 3.8Å; H447-L451 WeakPolarHBondContact O-CG 3.11Å; H447-L451 PolarHBondContact O-N 2.72Å; K448-L451 PolarHBondContact O-N 3.18Å; L449-L451 VanDerWaalsContact C-N 3.27Å; L449-L451 PolarHBondContact O-N 2.76Å; L451-M453 PolarHBondContact O-N 3.34Å; L451-L454 PolarHBondContact O-N 2.76Å; L451-E455 WeakPolarHBondContact O-CG 3.4Å; L451-E455 PolarHBondContact O-N 3.44Å
452E94.2Very high91.9Very high17 Ų1753.5 Ų53.58%0.07929%0.294CS..Hα-helixtrans-57.1-36.1176.2-75.9163.6162.200112.4Y16 R23 K448 L449 A456Y16-E452 HydrophobicContact CD2-CG 4.49Å; Y16-E452 HydrophobicContact CE2-CB 3.72Å; Y16-E452 HydrophobicContact CE2-CG 4.04Å; Y16-E452 WeakPolarHBondContact CE2-O 3.16Å; Y16-E452 PolarHBondContact OH-O 3.01Å; R23-E452 IonicContact CZ-OE2 3.14Å; R23-E452 IonicContact NH1-OE2 2.8Å; R23-E452 PolarHBondContact NH1-OE2 3.12Å; R23-E452 IonicContact NH2-OE1 2.85Å; R23-E452 PolarHBondContact NH2-OE1 3.09Å; R23-E452 IonicContact NH2-OE2 3.77Å; R23-E452 PolarHBondContact NH2-OE2 3.47Å; R23-E452 VanDerWaalsContact NH2-OE2 3.11Å; K448-E452 WeakPolarHBondContact CE-OE1 3.3Å; K448-E452 HydrophobicContact CG-CG 4.34Å; K448-E452 IonicContact NZ-OE1 3.6Å; K448-E452 WeakPolarHBondContact O-CB 3.28Å; K448-E452 WeakPolarHBondContact O-CG 3.05Å; K448-E452 PolarHBondContact O-N 2.92Å; L449-E452 WeakPolarHBondContact CA-OE2 3.37Å; L449-E452 PolarHBondContact O-N 3.32Å; E452-A456 WeakPolarHBondContact O-CB 3.12Å; E452-A456 PolarHBondContact O-N 3.14Å
453M94.8Very high91.8Very high1 Ų152.8 Ų52.81%0.00527%0.271CS..Hα-helixtrans-83.1-25.8-179.2-62.3-63.1-67.200113L276 Q302 W305 L449 F450 L451L276-M453 HydrophobicContact CD1-CB 4.18Å; L276-M453 HydrophobicContact CD1-CG 4.04Å; L276-M453 HydrophobicContact CD2-CE 4.25Å; L276-M453 HydrophobicContact CD2-CG 4.14Å; Q302-M453 HydrophobicContact CG-CE 4.43Å; Q302-M453 HydrophobicContact CG-SD 4.43Å; W305-M453 HydrophobicContact CB-CE 3.72Å; W305-M453 VanDerWaalsContact CD1-CE 3.47Å; W305-M453 HydrophobicContact CD2-CB 4.09Å; W305-M453 HydrophobicContact CD2-CE 4.48Å; W305-M453 HydrophobicContact CG-CB 4.38Å; W305-M453 HydrophobicContact CG-CE 3.64Å; W305-M453 HydrophobicContact CZ2-CB 3.95Å; W305-M453 WeakPolarHBondContact CZ2-O 3.3Å; W305-M453 PolarHBondContact NE1-O 2.89Å; L449-M453 HydrophobicContact CD1-CG 3.78Å; L449-M453 HydrophobicContact CD1-SD 4.24Å; L449-M453 HydrophobicContact CG-CG 4.34Å; L449-M453 WeakPolarHBondContact O-CB 3.37Å; L449-M453 VanDerWaalsContact O-CG 3.22Å; L449-M453 WeakPolarHBondContact O-CG 3.42Å; L449-M453 PolarHBondContact O-N 3.07Å; F450-M453 PolarHBondContact O-N 2.58Å; L451-M453 PolarHBondContact O-N 3.34Å
454L94.4Very high91.9Very high0 Ų048.3 Ų48.30%025%0.254CS..Hα-helixtrans-73.4-39.4168.5-75.2170.2000112W305 V432 F435 M446 F450 L451 K457W305-L454 HydrophobicContact CH2-CD2 3.87Å; W305-L454 HydrophobicContact CH2-CG 4.1Å; W305-L454 HydrophobicContact CZ2-CD2 3.91Å; W305-L454 HydrophobicContact CZ2-CG 4.14Å; V432-L454 HydrophobicContact CG1-CD2 4.24Å; F435-L454 HydrophobicContact CB-CD1 4.15Å; F435-L454 HydrophobicContact CB-CD2 3.84Å; M446-L454 HydrophobicContact SD-CD1 4.06Å; F450-L454 HydrophobicContact CD1-CD1 3.87Å; F450-L454 HydrophobicContact CE1-CD1 3.66Å; F450-L454 HydrophobicContact CE1-CG 4.49Å; F450-L454 HydrophobicContact CZ-CD1 4.13Å; F450-L454 WeakPolarHBondContact O-CG 3.26Å; F450-L454 PolarHBondContact O-N 2.65Å; L451-L454 PolarHBondContact O-N 2.76Å; L454-K457 PolarHBondContact O-N 2.7Å
455E92.5Very high91.7Very high103 Ų10350.9 Ų50.948%0.48127%0.267SS..Hα-helixtrans-68.2-36.3178.3-74.4176.2174.200112.5K439 L451 K457K439-E455 VanDerWaalsContact NZ-CD 3.32Å; K439-E455 IonicContact NZ-OE1 2.62Å; K439-E455 PolarHBondContact NZ-OE1 3.38Å; L451-E455 WeakPolarHBondContact O-CG 3.4Å; L451-E455 PolarHBondContact O-N 3.44Å; E455-K457 PolarHBondContact O-N 3.49Å
456A88.6Confident91.6Very high38 Ų3848.8 Ų48.831%0.31425%0.249SC..THydrogen-bonded Turntrans-69.47.4174.800000115.1Y16 Q302 E452Y16-A456 WeakPolarHBondContact OH-CB 3.47Å; Q302-A456 HydrophobicContact CB-CB 4.13Å; Q302-A456 HydrophobicContact CG-CB 3.85Å; Q302-A456 VanDerWaalsContact NE2-CB 3.31Å; E452-A456 WeakPolarHBondContact O-CB 3.12Å; E452-A456 PolarHBondContact O-N 3.14Å
457K81Confident91.4Very high71 Ų7150.6 Ų50.631%0.30926%0.258SS..THydrogen-bonded Turntrans-128.6-3.2-174.4-89.8-58.7-149.9-176.10115.5Q302 S303 V432 L454 E455Q302-K457 WeakPolarHBondContact O-CE 3.29Å; S303-K457 WeakPolarHBondContact O-CE 3.41Å; S303-K457 PolarHBondContact O-NZ 2.8Å; V432-K457 HydrophobicContact CG1-CB 3.88Å; L454-K457 PolarHBondContact O-N 2.7Å; E455-K457 PolarHBondContact O-N 3.49Å
458V76.7Confident91.1Very high110 Ų11046.5 Ų46.567%0.66724%0.241SC*.  trans-136.40-173.4-1780000111.2V432 Y436V432-V458 HydrophobicContact CG1-CG2 3.84Å; Y436-V458 HydrophobicContact CD1-CG1 4.32Å; Y436-V458 HydrophobicContact CD2-CB 3.8Å; Y436-V458 HydrophobicContact CD2-CG1 4.06Å; Y436-V458 HydrophobicContact CD2-CG2 3.58Å; Y436-V458 HydrophobicContact CE1-CG1 4Å; Y436-V458 HydrophobicContact CE2-CB 3.57Å; Y436-V458 HydrophobicContact CE2-CG1 3.7Å; Y436-V458 HydrophobicContact CE2-CG2 3.94Å; Y436-V458 HydrophobicContact CG-CB 4.45Å; Y436-V458 HydrophobicContact CG-CG1 4.34Å; Y436-V458 HydrophobicContact CG-CG2 4.03Å

Retrieved 458 of 458 residues in 715.5 ms (Link to these results)

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