A0A3Q0KC52_SCHMA Loading...

Putative eukaryotic translation initiation factor 4 gamma

AlphaFold DB , UniProt , Accession A0A3Q0KC52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 928 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M69.9Low82.8Confident141 Ų141107.6 Ų107.670%0.69547%0.472SS*.  0-49.90-82.6-59.3-120.500112.6Q3 Y4M1-Q3 PolarHBondContact O-N 3.32Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.25Å
2D79Confident82.6Confident87 Ų87100.4 Ų100.447%0.46544%0.442SS..Hα-helixtrans-57.1-34.3-175-59-61.5000114.8Y4 F5 H6 R63D2-Y4 VanDerWaalsContact C-N 3.29Å; D2-Y4 PolarHBondContact O-N 3.42Å; D2-F5 PolarHBondContact O-N 3.31Å; D2-H6 PolarHBondContact O-N 3.41Å; D2-H6 PolarHBondContact O-ND1 3.34Å; D2-R63 IonicContact OD1-CZ 3.85Å; D2-R63 IonicContact OD1-NE 2.9Å; D2-R63 IonicContact OD1-NH2 3.11Å; D2-R63 PolarHBondContact OD1-NH2 3.33Å; D2-R63 IonicContact OD2-NH2 2.66Å
3Q83.3Confident82.4Confident169 Ų16996.5 Ų96.579%0.7943%0.434SS*.Hα-helixtrans-58.8-36.4175-66.6179.90.600113.1M1 H6 R7M1-Q3 PolarHBondContact O-N 3.32Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-H6 PolarHBondContact O-N 3.39Å; Q3-R7 PolarHBondContact O-N 3.36Å
4Y83.8Confident81.8Confident166 Ų166101.5 Ų101.565%0.65145%0.448SS*.Hα-helixtrans-67.9-44.1177-75.4-79.1000111.3M1 D2 H6 R7 L8M1-Y4 WeakPolarHBondContact O-CB 3.44Å; M1-Y4 PolarHBondContact O-N 3.25Å; D2-Y4 VanDerWaalsContact C-N 3.29Å; D2-Y4 PolarHBondContact O-N 3.42Å; Y4-H6 VanDerWaalsContact C-N 3.34Å; Y4-H6 PolarHBondContact O-N 3.4Å; Y4-R7 WeakPolarHBondContact O-CA 3.46Å; Y4-R7 WeakPolarHBondContact O-CB 3.43Å; Y4-R7 PolarHBondContact O-N 3.39Å; Y4-R7 VanDerWaalsContact O-N 3.11Å; Y4-L8 WeakPolarHBondContact O-CG 3.46Å; Y4-L8 PolarHBondContact O-N 3.31Å
5F85Confident81.1Confident16 Ų1694.9 Ų94.97%0.0742%0.42CS..Hα-helixtrans-67.7-33.9176.5-74.1-83.9000112.6D2 R7 L8 R9 L59 R63 W67D2-F5 PolarHBondContact O-N 3.31Å; F5-R7 VanDerWaalsContact C-N 3.3Å; F5-R7 PolarHBondContact O-N 3.49Å; F5-L8 HydrophobicContact CD1-CD1 4.17Å; F5-L8 HydrophobicContact CE1-CD1 4.41Å; F5-L8 PolarHBondContact O-N 3.47Å; F5-R9 WeakPolarHBondContact O-CG 3.32Å; F5-R9 PolarHBondContact O-N 3.34Å; F5-L59 HydrophobicContact CE1-CB 4.32Å; F5-L59 WeakPolarHBondContact CE1-O 3.37Å; F5-R63 HydrophobicContact CD1-CB 3.78Å; F5-R63 HydrophobicContact CD1-CG 3.89Å; F5-R63 HydrophobicContact CD2-CG 4.11Å; F5-R63 HydrophobicContact CE1-CB 3.65Å; F5-R63 HydrophobicContact CE1-CG 4.07Å; F5-R63 HydrophobicContact CE2-CG 4.28Å; F5-R63 HydrophobicContact CG-CB 4.33Å; F5-R63 HydrophobicContact CG-CG 3.91Å; F5-R63 HydrophobicContact CZ-CB 4.09Å; F5-R63 HydrophobicContact CZ-CG 4.26Å; F5-W67 HydrophobicContact CE2-CZ2 4.29Å; F5-W67 AromaticContact CZ-CH2 3.91Å; F5-W67 HydrophobicContact CZ-CH2 3.91Å; F5-W67 AromaticContact CZ-CZ2 3.67Å; F5-W67 HydrophobicContact CZ-CZ2 3.67Å
6H84.3Confident80.3Confident103 Ų10395.9 Ų95.948%0.47742%0.421SS..Hα-helixtrans-64.2-37.2170.4-77.847.9000111.6D2 Q3 Y4 R10D2-H6 PolarHBondContact O-N 3.41Å; D2-H6 PolarHBondContact O-ND1 3.34Å; Q3-H6 PolarHBondContact O-N 3.39Å; Y4-H6 VanDerWaalsContact C-N 3.34Å; Y4-H6 PolarHBondContact O-N 3.4Å; H6-R10 WeakPolarHBondContact O-CB 3.33Å; H6-R10 PolarHBondContact O-N 3.48Å
7R85.7Confident79Confident164 Ų16496.7 Ų96.762%0.61943%0.43SS*.Hα-helixtrans-66.6-42.6173.9-169.1173.5-177.9168.5-0.5111.5Q3 Y4 F5 R10 I11Q3-R7 PolarHBondContact O-N 3.36Å; Y4-R7 WeakPolarHBondContact O-CA 3.46Å; Y4-R7 WeakPolarHBondContact O-CB 3.43Å; Y4-R7 PolarHBondContact O-N 3.39Å; Y4-R7 VanDerWaalsContact O-N 3.11Å; F5-R7 VanDerWaalsContact C-N 3.3Å; F5-R7 PolarHBondContact O-N 3.49Å; R7-R10 PolarHBondContact O-N 3.37Å; R7-I11 HydrophobicContact CG-CD1 4.2Å; R7-I11 WeakPolarHBondContact O-CG1 3.37Å; R7-I11 PolarHBondContact O-N 3.47Å
8L86Confident77.6Confident44 Ų4492.8 Ų92.823%0.2342%0.417CS..Hα-helixtrans-60-47.4174.4-73.2176000112Y4 F5 R10 I11 L12 V56 I60Y4-L8 WeakPolarHBondContact O-CG 3.46Å; Y4-L8 PolarHBondContact O-N 3.31Å; F5-L8 HydrophobicContact CD1-CD1 4.17Å; F5-L8 HydrophobicContact CE1-CD1 4.41Å; F5-L8 PolarHBondContact O-N 3.47Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.16Å; L8-I11 WeakPolarHBondContact O-CB 3.49Å; L8-I11 PolarHBondContact O-N 3.29Å; L8-I11 VanDerWaalsContact O-N 3.14Å; L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.23Å; L8-V56 HydrophobicContact CB-CG1 3.95Å; L8-V56 HydrophobicContact CD2-CG1 4.12Å; L8-V56 HydrophobicContact CD2-CG2 4.17Å; L8-V56 HydrophobicContact CG-CG1 4.48Å; L8-I60 HydrophobicContact CB-CD1 4.41Å
9R86.9Confident76.2Confident101 Ų10191.9 Ų91.938%0.38142%0.416SS..Hα-helixtrans-56.5-40.7173.6-77.6-178.5-179.3156.3-1112.3F5 L12 S13 I60 E64F5-R9 WeakPolarHBondContact O-CG 3.32Å; F5-R9 PolarHBondContact O-N 3.34Å; R9-L12 PolarHBondContact O-N 3.48Å; R9-S13 WeakPolarHBondContact O-CB 3.47Å; R9-S13 PolarHBondContact O-N 3.07Å; R9-I60 HydrophobicContact CG-CD1 3.71Å; R9-I60 HydrophobicContact CG-CG1 4.19Å; R9-I60 HydrophobicContact CG-CG2 4.27Å; R9-E64 IonicContact CZ-OE1 2.68Å; R9-E64 IonicContact NE-OE1 2.95Å; R9-E64 IonicContact NH2-OE1 3.93Å; R9-E64 PolarHBondContact NH2-OE1 3Å
10R84.3Confident74.6Confident131 Ų13190.3 Ų90.349%0.49443%0.426SS..Hα-helixtrans-69.9-34.5177.9-165.9-175.1-66.6110.3-4113H6 R7 L8 S13 R14H6-R10 WeakPolarHBondContact O-CB 3.33Å; H6-R10 PolarHBondContact O-N 3.48Å; R7-R10 PolarHBondContact O-N 3.37Å; L8-R10 VanDerWaalsContact C-N 3.27Å; L8-R10 PolarHBondContact O-N 3.16Å; R10-S13 PolarHBondContact O-OG 2.94Å; R10-S13 VanDerWaalsContact O-OG 3.05Å; R10-R14 WeakPolarHBondContact O-CD 3.41Å; R10-R14 VanDerWaalsContact O-CG 3.25Å; R10-R14 WeakPolarHBondContact O-CG 3.37Å; R10-R14 PolarHBondContact O-N 3.01Å
11I82.4Confident73Confident62 Ų6293.1 Ų93.132%0.31844%0.443SS..Hα-helixtrans-65.8-44.7174.4-72.7164.5000109.6R7 L8 R14 A15 L48R7-I11 HydrophobicContact CG-CD1 4.2Å; R7-I11 WeakPolarHBondContact O-CG1 3.37Å; R7-I11 PolarHBondContact O-N 3.47Å; L8-I11 WeakPolarHBondContact O-CB 3.49Å; L8-I11 PolarHBondContact O-N 3.29Å; L8-I11 VanDerWaalsContact O-N 3.14Å; I11-R14 PolarHBondContact O-N 3.06Å; I11-A15 PolarHBondContact O-N 3.08Å; I11-A15 VanDerWaalsContact O-N 3.15Å; I11-L48 HydrophobicContact CG2-CD1 3.5Å; I11-L48 VanDerWaalsContact CG2-CD1 3.5Å; I11-L48 HydrophobicContact CG2-CD2 4.37Å
12L80.5Confident71.4Confident21 Ų2192.4 Ų92.411%0.1145%0.447CS..Hα-helixtrans-66.9-41.5179-177.1138.3000112.2L8 R9 R14 A15 Y16 V56 E57 I60L8-L12 WeakPolarHBondContact O-CB 3.48Å; L8-L12 PolarHBondContact O-N 3.23Å; R9-L12 PolarHBondContact O-N 3.48Å; L12-R14 PolarHBondContact O-N 3.1Å; L12-A15 PolarHBondContact O-N 2.86Å; L12-Y16 HydrophobicContact CD1-CE2 4.36Å; L12-Y16 HydrophobicContact CD2-CD2 3.71Å; L12-Y16 HydrophobicContact CD2-CE2 3.34Å; L12-Y16 HydrophobicContact CG-CD2 4.04Å; L12-Y16 HydrophobicContact CG-CE2 3.61Å; L12-Y16 WeakPolarHBondContact O-CD2 3.43Å; L12-Y16 PolarHBondContact O-N 3.45Å; L12-Y16 VanDerWaalsContact O-N 3.09Å; L12-V56 HydrophobicContact CB-CG1 4.37Å; L12-V56 HydrophobicContact CD1-CB 4.31Å; L12-V56 HydrophobicContact CD1-CG1 3.9Å; L12-E57 HydrophobicContact CD1-CB 4.39Å; L12-E57 VanDerWaalsContact CD1-OE2 3.28Å; L12-E57 WeakPolarHBondContact CD1-OE2 3.39Å; L12-I60 HydrophobicContact CD1-CD1 4.33Å
13S79.9Confident68.9Low49 Ų4996.2 Ų96.234%0.34346%0.46SS..Hα-helixtrans-60.7-44.7175760000112.1R9 R10 A15 Y16 D17R9-S13 WeakPolarHBondContact O-CB 3.47Å; R9-S13 PolarHBondContact O-N 3.07Å; R10-S13 PolarHBondContact O-OG 2.94Å; R10-S13 VanDerWaalsContact O-OG 3.05Å; S13-A15 VanDerWaalsContact C-N 3.26Å; S13-A15 PolarHBondContact O-N 3.33Å; S13-Y16 PolarHBondContact O-N 3.02Å; S13-Y16 VanDerWaalsContact O-N 3.07Å; S13-D17 VanDerWaalsContact O-CG 3.23Å; S13-D17 PolarHBondContact O-N 3.41Å
14R74.4Confident66.4Low167 Ų16796.3 Ų96.363%0.6347%0.466SS*.Hα-helixtrans-60.4-35.9176.5-73171.3178.4-173.2-3.3112.6R10 I11 L12 Y16 S18R10-R14 WeakPolarHBondContact O-CD 3.41Å; R10-R14 VanDerWaalsContact O-CG 3.25Å; R10-R14 WeakPolarHBondContact O-CG 3.37Å; R10-R14 PolarHBondContact O-N 3.01Å; I11-R14 PolarHBondContact O-N 3.06Å; L12-R14 PolarHBondContact O-N 3.1Å; R14-Y16 VanDerWaalsContact C-N 3.35Å; R14-S18 PolarHBondContact O-N 2.94Å
15A71.2Confident63.7Low3 Ų396.9 Ų96.93%0.02547%0.471CS..Hα-helixtrans-75.5-20.8177.400000113.7I11 L12 S13 S18 N19 L48I11-A15 PolarHBondContact O-N 3.08Å; I11-A15 VanDerWaalsContact O-N 3.15Å; L12-A15 PolarHBondContact O-N 2.86Å; S13-A15 VanDerWaalsContact C-N 3.26Å; S13-A15 PolarHBondContact O-N 3.33Å; A15-S18 PolarHBondContact O-OG 2.83Å; A15-S18 VanDerWaalsContact O-OG 3.05Å; A15-N19 PolarHBondContact O-ND2 3.33Å; A15-L48 HydrophobicContact CB-CB 4.27Å; A15-L48 HydrophobicContact CB-CD1 3.54Å; A15-L48 HydrophobicContact CB-CG 3.9Å
16Y68.7Low61Low111 Ų111103.9 Ų103.944%0.43551%0.509SS..Hα-helixtrans-83.7-41.8170.3-77.4-66.4000111.7L12 S13 R14 S18 N19 G20L12-Y16 HydrophobicContact CD1-CE2 4.36Å; L12-Y16 HydrophobicContact CD2-CD2 3.71Å; L12-Y16 HydrophobicContact CD2-CE2 3.34Å; L12-Y16 HydrophobicContact CG-CD2 4.04Å; L12-Y16 HydrophobicContact CG-CE2 3.61Å; L12-Y16 WeakPolarHBondContact O-CD2 3.43Å; L12-Y16 PolarHBondContact O-N 3.45Å; L12-Y16 VanDerWaalsContact O-N 3.09Å; S13-Y16 PolarHBondContact O-N 3.02Å; S13-Y16 VanDerWaalsContact O-N 3.07Å; R14-Y16 VanDerWaalsContact C-N 3.35Å; Y16-S18 PolarHBondContact O-N 3.44Å; Y16-N19 PolarHBondContact O-N 2.97Å; Y16-G20 PolarHBondContact O-N 2.92Å
17D57.8Low58.4Low109 Ų109107.6 Ų107.658%0.58353%0.527SS*.Hα-helixtrans-59.8-35.6178.3-65.1-28.7000111.3S13 N19 G20S13-D17 VanDerWaalsContact O-CG 3.23Å; S13-D17 PolarHBondContact O-N 3.41Å; D17-N19 VanDerWaalsContact C-N 3.25Å; D17-N19 PolarHBondContact O-N 3.16Å; D17-G20 PolarHBondContact O-N 3.22Å
18S54.5Low55.4Low27 Ų27104.4 Ų104.419%0.18953%0.53CS..Hα-helixtrans-64.7-26.7174.965.10000113.6R14 A15 Y16R14-S18 PolarHBondContact O-N 2.94Å; A15-S18 PolarHBondContact O-OG 2.83Å; A15-S18 VanDerWaalsContact O-OG 3.05Å; Y16-S18 PolarHBondContact O-N 3.44Å
19N50.6Low52.5Low75 Ų75110.4 Ų110.440%0.40156%0.559SS.*Hα-helixtrans-85.3-18.9178.9-64-28000112.6A15 Y16 D17 R53A15-N19 PolarHBondContact O-ND2 3.33Å; Y16-N19 PolarHBondContact O-N 2.97Å; D17-N19 VanDerWaalsContact C-N 3.25Å; D17-N19 PolarHBondContact O-N 3.16Å; N19-R53 PolarHBondContact ND2-NH1 3.22Å
20G44.3Very low49.6Very low60 Ų60109.8 Ų109.862%0.61957%0.57SS**Hα-helixtrans-84.9-10.8-173.700000116Y16 D17 T22Y16-G20 PolarHBondContact O-N 2.92Å; D17-G20 PolarHBondContact O-N 3.22Å; G20-T22 PolarHBondContact O-N 3.24Å
21L40.6Very low47.1Very low150 Ų150108.9 Ų108.979%0.78558%0.579SS**SBendtrans-80.412.4-173.8-88.9163.2000115.5
22T36.7Very low44.4Very low125 Ų125115 Ų11577%0.76761%0.606SS**SBendtrans-113.737.3179.257.60000113.4G20G20-T22 PolarHBondContact O-N 3.24Å
23F26.2Very low41.8Very low168 Ų168117.6 Ų117.674%0.73764%0.639SS**  trans-156.272.4167.1-146.3-97.4000113.2
24N30.6Very low39.4Very low171 Ų171123.9 Ų123.991%0.91466%0.66SS**  trans-131.7119.8156.7-96.5-28000110.5
25K27.9Very low37.1Very low178 Ų178123.6 Ų123.677%0.77467%0.669SS**  trans-62.3139.9-177.6-81170.9169.71740111.8E27K25-E27 PolarHBondContact O-N 3.07Å
26N27.3Very low35Very low162 Ų162131.6 Ų131.687%0.86670%0.704SS**  trans-29.9108.9154.2-52.7-21.7000114.6
27E30.1Very low33Very low181 Ų181135.9 Ų135.985%0.84672%0.724SS**  trans-142.596.5151.5-90.7-170.7168.500105.5K25K25-E27 PolarHBondContact O-N 3.07Å
28S23.1Very low31.6Very low98 Ų98135 Ų13569%0.68573%0.727SS**  82.7116.495.167.40000114.2
29M24.6Very low30.3Very low170 Ų170138.8 Ų138.884%0.83775%0.753SS**  trans85.5116.3143.3-58.7-117.872.100120.1
30S26.5Very low29.4Very low87 Ų87140.9 Ų140.961%0.60877%0.774SS**  90.6120.2128.7-69.20000121
31T31.3Very low28.9Very low113 Ų113146.5 Ų146.569%0.69378%0.781SS**  trans71.1106.9134.756.50000119.4
32E25.9Very low28.5Very low190 Ų190143.2 Ų143.289%0.88878%0.775SS**  57.6119.4125.9-74.6166.3145.200119.9
33G25.4Very low28.7Very low76 Ų76143.5 Ų143.578%0.78477%0.772SS**  trans90.171.1135.200000116.6
34K30.5Very low29.6Very low181 Ų181142.5 Ų142.579%0.78778%0.775SS**  trans-161.1116.3140.6-117.1163.8-174.4170.90112.1F36K34-F36 HydrophobicContact CB-CD2 4.18Å; K34-F36 HydrophobicContact CB-CE2 4.18Å; K34-F36 HydrophobicContact CD-CE2 4.46Å; K34-F36 PolarHBondContact O-N 3.37Å
35I25.3Very low30.5Very low160 Ų160138.9 Ų138.982%0.82176%0.755SS**  trans-61.694.3167.8-63.5160.5000107.5K37I35-K37 HydrophobicContact CG2-CG 4.35Å; I35-K37 PolarHBondContact O-N 2.96Å
36F27.9Very low31.7Very low172 Ų172134.7 Ų134.775%0.75475%0.747SS**  trans-88100164.3-90.4-84.1000108.1K34 S38K34-F36 HydrophobicContact CB-CD2 4.18Å; K34-F36 HydrophobicContact CB-CE2 4.18Å; K34-F36 HydrophobicContact CD-CE2 4.46Å; K34-F36 PolarHBondContact O-N 3.37Å; F36-S38 PolarHBondContact O-N 3.17Å
37K24.9Very low33.9Very low200 Ų200133 Ų13387%0.8774%0.737SS**  trans-6785.8158.8-74.3-179.5176.1-179.30107.8I35I35-K37 HydrophobicContact CG2-CG 4.35Å; I35-K37 PolarHBondContact O-N 2.96Å
38S29.1Very low36Very low92 Ų92125.9 Ų125.964%0.64370%0.704SS**  trans-114104.7164.261.50000108.7F36 S40F36-S38 PolarHBondContact O-N 3.17Å; S38-S40 PolarHBondContact O-N 2.92Å
39S27.6Very low38.5Very low105 Ų105124.8 Ų124.873%0.73470%0.697SS**  trans-4.5102.9155.453.70000114.9K41S39-K41 PolarHBondContact O-N 3.01Å
40S30.8Very low41Very low119 Ų119119.6 Ų119.683%0.83268%0.677SS**  trans-67.172.5160.953.60000109S38 A42S38-S40 PolarHBondContact O-N 2.92Å; S40-A42 VanDerWaalsContact C-N 3.27Å; S40-A42 PolarHBondContact O-N 2.93Å; S40-A42 VanDerWaalsContact O-N 3.08Å
41K33.8Very low43.6Very low179 Ų179123.5 Ų123.578%0.77868%0.679SS**  trans-70.4100.7155.1-106.5161.6179.6162.70104.6S39 N43S39-K41 PolarHBondContact O-N 3.01Å; K41-N43 VanDerWaalsContact C-N 3.34Å; K41-N43 PolarHBondContact O-N 3.49Å
42A33Very low46.1Very low80 Ų80121.2 Ų121.266%0.66166%0.664SS**  trans-45.1104.8165.900000106.9S40 D44S40-A42 VanDerWaalsContact C-N 3.27Å; S40-A42 PolarHBondContact O-N 2.93Å; S40-A42 VanDerWaalsContact O-N 3.08Å; A42-D44 PolarHBondContact O-N 3.3Å
43N41.7Very low48.8Very low131 Ų131114.8 Ų114.870%0.70163%0.632SS**  trans-72.591169.1-77.7-25.9000104.3K41 N45K41-N43 VanDerWaalsContact C-N 3.34Å; K41-N43 PolarHBondContact O-N 3.49Å; N43-N45 WeakPolarHBondContact CB-OD1 3.22Å; N43-N45 PolarHBondContact O-N 3.17Å; N43-N45 PolarHBondContact O-OD1 3.14Å
44D43.8Very low51.8Low148 Ų148117.7 Ų117.779%0.79162%0.623SS**  trans-57.385159.8-70.2-25.8000106.2A42 C46A42-D44 PolarHBondContact O-N 3.3Å; D44-C46 PolarHBondContact O-N 3.18Å
45N49.4Very low54.6Low95 Ų95113.6 Ų113.651%0.50861%0.608SS.*  trans-7080.6179-72.1-27000105.9N43 I47N43-N45 WeakPolarHBondContact CB-OD1 3.22Å; N43-N45 PolarHBondContact O-N 3.17Å; N43-N45 PolarHBondContact O-OD1 3.14Å; N45-I47 VanDerWaalsContact C-N 3.32Å; N45-I47 PolarHBondContact O-N 2.98Å
46C53.7Low57.5Low89 Ų89106.6 Ų106.660%0.60157%0.573SS**  trans-60.993-179.6-175.80000108.9D44 L48D44-C46 PolarHBondContact O-N 3.18Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 2.65Å
47I73.2Confident60.3Low127 Ų127101.2 Ų101.265%0.65155%0.55SS**  trans-71.695.4172.1-62.3163.7000106N45 S49N45-I47 VanDerWaalsContact C-N 3.32Å; N45-I47 PolarHBondContact O-N 2.98Å; I47-S49 PolarHBondContact O-N 3.35Å
48L73.8Confident63.1Low31 Ų3195.3 Ų95.316%0.16253%0.528CS..  trans-61.2129172.2-61.6173000109.3I11 A15 C46 S50 R53I11-L48 HydrophobicContact CG2-CD1 3.5Å; I11-L48 VanDerWaalsContact CG2-CD1 3.5Å; I11-L48 HydrophobicContact CG2-CD2 4.37Å; A15-L48 HydrophobicContact CB-CB 4.27Å; A15-L48 HydrophobicContact CB-CD1 3.54Å; A15-L48 HydrophobicContact CB-CG 3.9Å; C46-L48 VanDerWaalsContact C-N 3.34Å; C46-L48 PolarHBondContact O-N 2.65Å; L48-S50 PolarHBondContact O-N 3.06Å; L48-R53 HydrophobicContact CB-CG 3.66Å; L48-R53 HydrophobicContact CD1-CG 4.4Å; L48-R53 PolarHBondContact O-NE 3.01Å; L48-R53 VanDerWaalsContact O-NE 3.17Å
49S77.5Confident65.8Low76 Ų7694 Ų9453%0.53151%0.514SS..  trans-49.5140.6171.9171.10000110.9I47 R51 V52 R53I47-S49 PolarHBondContact O-N 3.35Å; S49-R51 PolarHBondContact O-N 2.84Å; S49-R51 VanDerWaalsContact O-N 3.09Å; S49-V52 PolarHBondContact O-N 3.38Å; S49-R53 PolarHBondContact O-N 3.43Å
50S76.7Confident68.6Low60 Ų6089.3 Ų89.342%0.4248%0.48SS..Hα-helixtrans-49.6-38.5178.6-61.20000112.3L48 V52 R53 F54L48-S50 PolarHBondContact O-N 3.06Å; S50-V52 PolarHBondContact O-N 2.82Å; S50-R53 PolarHBondContact O-N 3.41Å; S50-R53 PolarHBondContact OG-NH2 3.29Å; S50-F54 WeakPolarHBondContact O-CD2 3.24Å; S50-F54 PolarHBondContact O-N 3.37Å
51R80.5Confident71.1Confident170 Ų17085.3 Ų85.364%0.64245%0.449SS*.Hα-helixtrans-59.7-45.5177.5-172.776.5-178.6110.4-1112.4S49 M55S49-R51 PolarHBondContact O-N 2.84Å; S49-R51 VanDerWaalsContact O-N 3.09Å; R51-M55 WeakPolarHBondContact O-CB 3.32Å; R51-M55 PolarHBondContact O-N 3.16Å
52V82.9Confident73.4Confident64 Ų6479 Ų7939%0.38842%0.424SS..Hα-helixtrans-69.6-41.1-179.1179.20000110.1S49 S50 F54 M55 V56S49-V52 PolarHBondContact O-N 3.38Å; S50-V52 PolarHBondContact O-N 2.82Å; V52-F54 PolarHBondContact O-N 2.78Å; V52-M55 PolarHBondContact O-N 3.45Å; V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CG2 2.89Å; V52-V56 PolarHBondContact O-N 3.02Å
53R84Confident75.8Confident56 Ų5678.8 Ų78.821%0.21141%0.406CS..Hα-helixtrans-57.4-50.7175.5-68.2-173.7-70.8170.80.3111.7N19 L48 S49 S50 M55 V56 E57N19-R53 PolarHBondContact ND2-NH1 3.22Å; L48-R53 HydrophobicContact CB-CG 3.66Å; L48-R53 HydrophobicContact CD1-CG 4.4Å; L48-R53 PolarHBondContact O-NE 3.01Å; L48-R53 VanDerWaalsContact O-NE 3.17Å; S49-R53 PolarHBondContact O-N 3.43Å; S50-R53 PolarHBondContact O-N 3.41Å; S50-R53 PolarHBondContact OG-NH2 3.29Å; R53-M55 VanDerWaalsContact C-N 3.33Å; R53-M55 PolarHBondContact O-N 3.37Å; R53-V56 PolarHBondContact O-N 3.22Å; R53-E57 WeakPolarHBondContact O-CB 3.46Å; R53-E57 PolarHBondContact O-N 3.43Å
54F87.2Confident77.8Confident136 Ų13677.7 Ų77.760%0.59640%0.396SS*.Hα-helixtrans-63.3-37.4177.1-71.9-59.8000112.8S50 V52 E57 D58S50-F54 WeakPolarHBondContact O-CD2 3.24Å; S50-F54 PolarHBondContact O-N 3.37Å; V52-F54 PolarHBondContact O-N 2.78Å; F54-E57 PolarHBondContact O-N 3.44Å; F54-D58 WeakPolarHBondContact O-CB 3.24Å; F54-D58 PolarHBondContact O-N 3.47Å
55M88.9Confident79.5Confident95 Ų9574.3 Ų74.347%0.46838%0.378SS..Hα-helixtrans-64.7-42.1176.3-172-173.3-57.300112.2R51 V52 R53 D58 L59R51-M55 WeakPolarHBondContact O-CB 3.32Å; R51-M55 PolarHBondContact O-N 3.16Å; V52-M55 PolarHBondContact O-N 3.45Å; R53-M55 VanDerWaalsContact C-N 3.33Å; R53-M55 PolarHBondContact O-N 3.37Å; M55-D58 PolarHBondContact O-N 3.06Å; M55-L59 WeakPolarHBondContact O-CG 3.4Å; M55-L59 PolarHBondContact O-N 3.21Å; M55-L59 VanDerWaalsContact O-N 3.1Å
56V87.5Confident81Confident14 Ų1476.3 Ų76.39%0.08539%0.389CS..Hα-helixtrans-67.8-41.8177.8172.90000111L8 L12 V52 R53 L59 I60L8-V56 HydrophobicContact CB-CG1 3.95Å; L8-V56 HydrophobicContact CD2-CG1 4.12Å; L8-V56 HydrophobicContact CD2-CG2 4.17Å; L8-V56 HydrophobicContact CG-CG1 4.48Å; L12-V56 HydrophobicContact CB-CG1 4.37Å; L12-V56 HydrophobicContact CD1-CB 4.31Å; L12-V56 HydrophobicContact CD1-CG1 3.9Å; V52-V56 HydrophobicContact CG1-CG2 4.32Å; V52-V56 WeakPolarHBondContact O-CG2 2.89Å; V52-V56 PolarHBondContact O-N 3.02Å; R53-V56 PolarHBondContact O-N 3.22Å; V56-L59 PolarHBondContact O-N 2.73Å; V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.18Å; V56-I60 PolarHBondContact O-N 2.63Å
57E85.8Confident82.1Confident59 Ų5977.9 Ų77.928%0.27638%0.382SS..Hα-helixtrans-58.7-46.6173.6-160.673-122.900111L12 R53 F54 L59 I60 D61L12-E57 HydrophobicContact CD1-CB 4.39Å; L12-E57 VanDerWaalsContact CD1-OE2 3.28Å; L12-E57 WeakPolarHBondContact CD1-OE2 3.39Å; R53-E57 WeakPolarHBondContact O-CB 3.46Å; R53-E57 PolarHBondContact O-N 3.43Å; F54-E57 PolarHBondContact O-N 3.44Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.8Å; E57-I60 PolarHBondContact O-N 2.54Å; E57-D61 WeakPolarHBondContact O-CB 3.31Å; E57-D61 PolarHBondContact O-N 3.01Å
58D84.8Confident82Confident76 Ų7675.2 Ų75.241%0.40637%0.369SS..Hα-helixtrans-57.8-40.3176-83.6-17.3000112.6F54 M55 L62 R70F54-D58 WeakPolarHBondContact O-CB 3.24Å; F54-D58 PolarHBondContact O-N 3.47Å; M55-D58 PolarHBondContact O-N 3.06Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 VanDerWaalsContact O-CG 3.22Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 2.88Å; D58-R70 IonicContact OD1-CZ 3.97Å; D58-R70 IonicContact OD1-NE 3.76Å; D58-R70 IonicContact OD1-NH2 3.76Å; D58-R70 PolarHBondContact OD1-NH2 3.34Å
59L85.5Confident81.6Confident65 Ų6576.3 Ų76.334%0.3438%0.378SS..Hα-helixtrans-69.5-39.6177.7-71.5175.3000112.5F5 M55 V56 E57 R63 W67F5-L59 HydrophobicContact CE1-CB 4.32Å; F5-L59 WeakPolarHBondContact CE1-O 3.37Å; M55-L59 WeakPolarHBondContact O-CG 3.4Å; M55-L59 PolarHBondContact O-N 3.21Å; M55-L59 VanDerWaalsContact O-N 3.1Å; V56-L59 PolarHBondContact O-N 2.73Å; E57-L59 VanDerWaalsContact C-N 3.3Å; E57-L59 PolarHBondContact O-N 2.8Å; L59-R63 WeakPolarHBondContact O-CB 3.19Å; L59-R63 PolarHBondContact O-N 3.33Å; L59-W67 HydrophobicContact CD2-CZ3 4.45Å
60I85.3Confident81.1Confident5 Ų579.3 Ų79.33%0.02638%0.377CS..Hα-helixtrans-66-46.1176.8-68.1163.3000109.6L8 R9 L12 V56 E57 L62 R63 E64L8-I60 HydrophobicContact CB-CD1 4.41Å; R9-I60 HydrophobicContact CG-CD1 3.71Å; R9-I60 HydrophobicContact CG-CG1 4.19Å; R9-I60 HydrophobicContact CG-CG2 4.27Å; L12-I60 HydrophobicContact CD1-CD1 4.33Å; V56-I60 HydrophobicContact CG1-CD1 3.79Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.18Å; V56-I60 PolarHBondContact O-N 2.63Å; E57-I60 PolarHBondContact O-N 2.54Å; I60-L62 PolarHBondContact O-N 2.85Å; I60-R63 CarbonylContact O-C 3.58Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.09Å; I60-R63 PolarHBondContact O-N 3.04Å; I60-E64 HydrophobicContact CG2-CG 4.47Å; I60-E64 WeakPolarHBondContact O-CG 3.34Å; I60-E64 PolarHBondContact O-N 3.25Å
61D84.2Confident80.5Confident36 Ų3685.8 Ų85.819%0.19339%0.393CS..Hα-helixtrans-62.8-41.8177.7-78.4-14000112.4E57 R63 E64 N65 R70E57-D61 WeakPolarHBondContact O-CB 3.31Å; E57-D61 PolarHBondContact O-N 3.01Å; D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 3.45Å; D61-E64 PolarHBondContact O-N 3.06Å; D61-N65 WeakPolarHBondContact O-CB 3.18Å; D61-N65 PolarHBondContact O-N 3.1Å; D61-N65 PolarHBondContact O-ND2 3.12Å; D61-R70 VanDerWaalsContact CB-NH2 3.34Å; D61-R70 IonicContact OD2-CZ 2.77Å; D61-R70 IonicContact OD2-NH1 3.32Å; D61-R70 PolarHBondContact OD2-NH1 3.14Å; D61-R70 IonicContact OD2-NH2 3.99Å; D61-R70 PolarHBondContact OD2-NH2 2.87Å
62L82.7Confident79.4Confident46 Ų4682 Ų8224%0.24140%0.398CS..Hα-helixtrans-61-42.3172.7-77.1171.9000110.3D58 I60 E64 N65 N66 W67 I68D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 VanDerWaalsContact O-CG 3.22Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 2.88Å; I60-L62 PolarHBondContact O-N 2.85Å; L62-E64 PolarHBondContact O-N 2.86Å; L62-N65 CarbonylContact O-C 3.6Å; L62-N65 PolarHBondContact O-N 3.48Å; L62-N66 PolarHBondContact O-N 2.87Å; L62-W67 HydrophobicContact CB-CE3 3.9Å; L62-W67 HydrophobicContact CB-CZ3 4.23Å; L62-W67 HydrophobicContact CD1-CE3 4.4Å; L62-W67 HydrophobicContact CD1-CZ3 4.41Å; L62-W67 VanDerWaalsContact O-CA 3.22Å; L62-W67 WeakPolarHBondContact O-CA 3.22Å; L62-W67 PolarHBondContact O-N 3.5Å; L62-I68 WeakPolarHBondContact CD2-O 3.44Å
63R83.2Confident78.1Confident75 Ų7580.9 Ų80.928%0.28340%0.399SS..Hα-helixtrans-62.7-41.6177.1179.360.6174.2176.40.6112.2D2 F5 L59 I60 D61 N65 N66D2-R63 IonicContact OD1-CZ 3.85Å; D2-R63 IonicContact OD1-NE 2.9Å; D2-R63 IonicContact OD1-NH2 3.11Å; D2-R63 PolarHBondContact OD1-NH2 3.33Å; D2-R63 IonicContact OD2-NH2 2.66Å; F5-R63 HydrophobicContact CD1-CB 3.78Å; F5-R63 HydrophobicContact CD1-CG 3.89Å; F5-R63 HydrophobicContact CD2-CG 4.11Å; F5-R63 HydrophobicContact CE1-CB 3.65Å; F5-R63 HydrophobicContact CE1-CG 4.07Å; F5-R63 HydrophobicContact CE2-CG 4.28Å; F5-R63 HydrophobicContact CG-CB 4.33Å; F5-R63 HydrophobicContact CG-CG 3.91Å; F5-R63 HydrophobicContact CZ-CB 4.09Å; F5-R63 HydrophobicContact CZ-CG 4.26Å; L59-R63 WeakPolarHBondContact O-CB 3.19Å; L59-R63 PolarHBondContact O-N 3.33Å; I60-R63 CarbonylContact O-C 3.58Å; I60-R63 WeakPolarHBondContact O-CA 3.43Å; I60-R63 WeakPolarHBondContact O-CB 3.09Å; I60-R63 PolarHBondContact O-N 3.04Å; D61-R63 VanDerWaalsContact C-N 3.29Å; D61-R63 PolarHBondContact O-N 3.45Å; R63-N65 VanDerWaalsContact C-N 3.32Å; R63-N66 PolarHBondContact O-N 2.87Å
64E82.7Confident76.8Confident108 Ų10881.8 Ų81.851%0.50541%0.406SS..Hα-helixtrans-66.8-35.1177.4-72-178.2-173.100112.2R9 I60 D61 L62 N66R9-E64 IonicContact CZ-OE1 2.68Å; R9-E64 IonicContact NE-OE1 2.95Å; R9-E64 IonicContact NH2-OE1 3.93Å; R9-E64 PolarHBondContact NH2-OE1 3Å; I60-E64 HydrophobicContact CG2-CG 4.47Å; I60-E64 WeakPolarHBondContact O-CG 3.34Å; I60-E64 PolarHBondContact O-N 3.25Å; D61-E64 PolarHBondContact O-N 3.06Å; L62-E64 PolarHBondContact O-N 2.86Å; E64-N66 VanDerWaalsContact C-N 3.25Å; E64-N66 PolarHBondContact O-N 3.49Å
65N80.8Confident75.1Confident77 Ų7783.8 Ų83.841%0.41241%0.409SS..THydrogen-bonded Turntrans-87.522.8176.5-68-58.8000113.2D61 L62 R63 W67 I68D61-N65 WeakPolarHBondContact O-CB 3.18Å; D61-N65 PolarHBondContact O-N 3.1Å; D61-N65 PolarHBondContact O-ND2 3.12Å; L62-N65 CarbonylContact O-C 3.6Å; L62-N65 PolarHBondContact O-N 3.48Å; R63-N65 VanDerWaalsContact C-N 3.32Å; N65-W67 PolarHBondContact O-N 3.21Å; N65-W67 VanDerWaalsContact O-N 3.15Å; N65-I68 HydrophobicContact CB-CB 4.31Å; N65-I68 WeakPolarHBondContact O-CB 3.39Å; N65-I68 VanDerWaalsContact O-CD1 3.24Å; N65-I68 WeakPolarHBondContact O-CD1 3.45Å; N65-I68 WeakPolarHBondContact O-CG1 3.46Å; N65-I68 PolarHBondContact O-N 3.05Å
66N80.1Confident73.6Confident138 Ų13882.5 Ų82.574%0.73841%0.407SS*.THydrogen-bonded Turntrans50.440-178.6-64.6-53.7000113.6L62 R63 E64 I68L62-N66 PolarHBondContact O-N 2.87Å; R63-N66 PolarHBondContact O-N 2.87Å; E64-N66 VanDerWaalsContact C-N 3.25Å; E64-N66 PolarHBondContact O-N 3.49Å; N66-I68 VanDerWaalsContact C-N 3.27Å; N66-I68 PolarHBondContact O-N 3.38Å
67W76.9Confident72.2Confident121 Ų12189.7 Ų89.746%0.45844%0.439SS..THydrogen-bonded Turntrans60.928.3-176.5-6095.8000114.8F5 L59 L62 N65 P69F5-W67 HydrophobicContact CE2-CZ2 4.29Å; F5-W67 AromaticContact CZ-CH2 3.91Å; F5-W67 HydrophobicContact CZ-CH2 3.91Å; F5-W67 AromaticContact CZ-CZ2 3.67Å; F5-W67 HydrophobicContact CZ-CZ2 3.67Å; L59-W67 HydrophobicContact CD2-CZ3 4.45Å; L62-W67 HydrophobicContact CB-CE3 3.9Å; L62-W67 HydrophobicContact CB-CZ3 4.23Å; L62-W67 HydrophobicContact CD1-CE3 4.4Å; L62-W67 HydrophobicContact CD1-CZ3 4.41Å; L62-W67 VanDerWaalsContact O-CA 3.22Å; L62-W67 WeakPolarHBondContact O-CA 3.22Å; L62-W67 PolarHBondContact O-N 3.5Å; N65-W67 PolarHBondContact O-N 3.21Å; N65-W67 VanDerWaalsContact O-N 3.15Å; W67-P69 WeakPolarHBondContact O-CD 3.08Å
68I70.8Confident70.9Confident71 Ų7192.2 Ų92.236%0.36446%0.459SS..  trans-79.1120.5174.1-61.5167000109.2L62 N65 N66L62-I68 WeakPolarHBondContact CD2-O 3.44Å; N65-I68 HydrophobicContact CB-CB 4.31Å; N65-I68 WeakPolarHBondContact O-CB 3.39Å; N65-I68 VanDerWaalsContact O-CD1 3.24Å; N65-I68 WeakPolarHBondContact O-CD1 3.45Å; N65-I68 WeakPolarHBondContact O-CG1 3.46Å; N65-I68 PolarHBondContact O-N 3.05Å; N66-I68 VanDerWaalsContact C-N 3.27Å; N66-I68 PolarHBondContact O-N 3.38Å
69P66.6Low69.6Low54 Ų5493.4 Ų93.435%0.35147%0.466SS..  trans-62.4138.8174.7-20.332.2000111.7W67 R71W67-P69 WeakPolarHBondContact O-CD 3.08Å; P69-R71 PolarHBondContact O-N 3.19Å; P69-R71 VanDerWaalsContact O-N 3.16Å
70R66.3Low68.4Low139 Ų13995.8 Ų95.853%0.52547%0.473SS..SBendtrans-59.8-28.5-175.7-60.9-178.4-153.8-90.37.2114.1D58 D61 A72D58-R70 IonicContact OD1-CZ 3.97Å; D58-R70 IonicContact OD1-NE 3.76Å; D58-R70 IonicContact OD1-NH2 3.76Å; D58-R70 PolarHBondContact OD1-NH2 3.34Å; D61-R70 VanDerWaalsContact CB-NH2 3.34Å; D61-R70 IonicContact OD2-CZ 2.77Å; D61-R70 IonicContact OD2-NH1 3.32Å; D61-R70 PolarHBondContact OD2-NH1 3.14Å; D61-R70 IonicContact OD2-NH2 3.99Å; D61-R70 PolarHBondContact OD2-NH2 2.87Å; R70-A72 PolarHBondContact O-N 2.99Å
71R63.8Low67.4Low197 Ų197100.7 Ų100.774%0.74351%0.505SS*.  trans-86.1106.6-176.7-63-172.8-170.8-172.63.8109.5P69 G73 Q74P69-R71 PolarHBondContact O-N 3.19Å; P69-R71 VanDerWaalsContact O-N 3.16Å; R71-G73 PolarHBondContact O-N 2.94Å; R71-Q74 PolarHBondContact O-N 3.4Å
72A58Low66.7Low91 Ų91103.7 Ų103.775%0.75251%0.514SS*.G310 helixtrans-50.7-26.1177.200000113.8R70 Q74R70-A72 PolarHBondContact O-N 2.99Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.23Å
73G55.8Low66.5Low39 Ų39109.1 Ų109.140%0.40254%0.536SS..G310 helixtrans-68.7-20.2176.500000115.5R71 R75 T76 N79R71-G73 PolarHBondContact O-N 2.94Å; G73-R75 PolarHBondContact O-N 3.06Å; G73-T76 PolarHBondContact O-OG1 2.84Å; G73-N79 WeakPolarHBondContact O-CB 3.46Å
74Q55.1Low66.1Low76 Ų76109.8 Ų109.836%0.35554%0.544SS..G310 helixtrans-74.8-5.2-178.9-81.9177.1-29.500114.4R71 A72 N79 K80R71-Q74 PolarHBondContact O-N 3.4Å; A72-Q74 VanDerWaalsContact C-N 3.33Å; A72-Q74 PolarHBondContact O-N 3.23Å; Q74-N79 WeakPolarHBondContact CA-O 3.49Å; Q74-N79 CarbonylContact O-C 3.58Å; Q74-K80 VanDerWaalsContact O-CA 3.29Å; Q74-K80 WeakPolarHBondContact O-CA 3.18Å; Q74-K80 PolarHBondContact O-N 3.09Å
75R52.2Low65.9Low177 Ų177113.6 Ų113.667%0.66855%0.554SS**G310 helixtrans-91.3-20.5177.6-77.6-173174.4-124.82.7114.3G73 E77G73-R75 PolarHBondContact O-N 3.06Å; R75-E77 PolarHBondContact O-N 3.38Å
76T57.7Low65.8Low69 Ų69113 Ų11342%0.42355%0.551SS.*SBendtrans-62.1142.5177.561.70000107.6G73 T78 N79 K80G73-T76 PolarHBondContact O-OG1 2.84Å; T76-T78 WeakPolarHBondContact CB-OG1 3.2Å; T76-T78 PolarHBondContact O-N 3.32Å; T76-T78 PolarHBondContact OG1-OG1 3.33Å; T76-N79 PolarHBondContact O-N 3.38Å; T76-K80 PolarHBondContact O-N 2.81Å; T76-K80 VanDerWaalsContact O-N 3.15Å
77E58.1Low65.6Low164 Ų164109.5 Ų109.577%0.76653%0.532SS*.THydrogen-bonded Turntrans-53.2-27.1-178.7-53.7-169.6-146.600111.4R75 R82R75-E77 PolarHBondContact O-N 3.38Å; E77-R82 PolarHBondContact O-NH2 3.23Å
78T58.5Low65.6Low112 Ų112106.3 Ų106.369%0.68752%0.52SS*.THydrogen-bonded Turntrans-70.2-30.2173.755.60000115.1T76T76-T78 WeakPolarHBondContact CB-OG1 3.2Å; T76-T78 PolarHBondContact O-N 3.32Å; T76-T78 PolarHBondContact OG1-OG1 3.33Å
79N57.1Low65.8Low102 Ų102107.3 Ų107.355%0.54553%0.525SS..THydrogen-bonded Turntrans-12011.6-171.1-102.5-42.1000114.7G73 Q74 T76G73-N79 WeakPolarHBondContact O-CB 3.46Å; Q74-N79 WeakPolarHBondContact CA-O 3.49Å; Q74-N79 CarbonylContact O-C 3.58Å; T76-N79 PolarHBondContact O-N 3.38Å
80K61Low66.4Low115 Ų115108.4 Ų108.450%0.553%0.526SS..SBendtrans-62.6143.9166.977.2176-174.7-179.50109.7Q74 T76 R82Q74-K80 VanDerWaalsContact O-CA 3.29Å; Q74-K80 WeakPolarHBondContact O-CA 3.18Å; Q74-K80 PolarHBondContact O-N 3.09Å; T76-K80 PolarHBondContact O-N 2.81Å; T76-K80 VanDerWaalsContact O-N 3.15Å; K80-R82 HydrophobicContact CG-CG 4.11Å; K80-R82 PolarHBondContact O-N 2.87Å; K80-R82 VanDerWaalsContact O-N 3.14Å
81P63.4Low67Low108 Ų108104.5 Ų104.570%0.70152%0.515SS*.  trans-55.6122.1166.5-17.829000108.8
82R70.2Confident67.7Low98 Ų9898 Ų9837%0.3750%0.495SS..  trans-104.7147.5177.1-67.6179.9-178.9-121.9-1.8109.1E77 K80 L84 I87 E90E77-R82 PolarHBondContact O-NH2 3.23Å; K80-R82 HydrophobicContact CG-CG 4.11Å; K80-R82 PolarHBondContact O-N 2.87Å; K80-R82 VanDerWaalsContact O-N 3.14Å; R82-L84 PolarHBondContact O-N 3.5Å; R82-I87 HydrophobicContact CB-CD1 4.43Å; R82-I87 HydrophobicContact CB-CG1 4.17Å; R82-E90 IonicContact NH1-OE2 3.79Å
83F77.8Confident68.7Low161 Ų161102.7 Ų102.771%0.70650%0.498SS*.  trans-65.7139.6171.1-71.6-82.5000108.6R85 D86 I87F83-R85 PolarHBondContact O-N 3.09Å; F83-R85 VanDerWaalsContact O-N 3.07Å; F83-D86 PolarHBondContact N-OD2 3.34Å; F83-D86 WeakPolarHBondContact O-CA 3.41Å; F83-D86 WeakPolarHBondContact O-CB 3.3Å; F83-D86 PolarHBondContact O-N 3.43Å; F83-I87 PolarHBondContact O-N 2.82Å
84L76.2Confident69.8Low88 Ų88108.1 Ų108.146%0.46151%0.513SS..Hα-helixtrans-58.1-26.7177.6-170.859.2000112.1R82 I87 R88 E105R82-L84 PolarHBondContact O-N 3.5Å; L84-I87 HydrophobicContact CD1-CD1 4.31Å; L84-R88 WeakPolarHBondContact O-CG 3.46Å; L84-R88 PolarHBondContact O-N 3.5Å; L84-E105 WeakPolarHBondContact CD2-OE1 3.3Å
85R77.6Confident70.9Confident188 Ų188107.7 Ų107.771%0.70952%0.518SS*.Hα-helixtrans-60.8-44169.4-172-179-159.7-140.74.2112.8F83 I87 R88 L89F83-R85 PolarHBondContact O-N 3.09Å; F83-R85 VanDerWaalsContact O-N 3.07Å; R85-I87 VanDerWaalsContact C-N 3.33Å; R85-R88 PolarHBondContact O-N 3.37Å; R85-L89 HydrophobicContact CG-CD1 4.37Å; R85-L89 WeakPolarHBondContact O-CG 3.38Å; R85-L89 PolarHBondContact O-N 2.93Å
86D78.1Confident72Confident65 Ų65102.1 Ų102.135%0.34852%0.516SS..Hα-helixtrans-65.4-41.7-179.5-58.8-26000110.2F83 R88 L89 E90F83-D86 PolarHBondContact N-OD2 3.34Å; F83-D86 WeakPolarHBondContact O-CA 3.41Å; F83-D86 WeakPolarHBondContact O-CB 3.3Å; F83-D86 PolarHBondContact O-N 3.43Å; D86-R88 VanDerWaalsContact C-N 3.33Å; D86-R88 PolarHBondContact O-N 2.88Å; D86-L89 PolarHBondContact O-N 3.2Å; D86-E90 WeakPolarHBondContact O-CB 3.48Å; D86-E90 PolarHBondContact O-N 3.24Å
87I77Confident72.7Confident65 Ų65103 Ų10333%0.33352%0.521SS..Hα-helixtrans-60.5-43.4175.3-59.3173.6000110.4R82 F83 L84 R85 E90 I91R82-I87 HydrophobicContact CB-CD1 4.43Å; R82-I87 HydrophobicContact CB-CG1 4.17Å; F83-I87 PolarHBondContact O-N 2.82Å; L84-I87 HydrophobicContact CD1-CD1 4.31Å; R85-I87 VanDerWaalsContact C-N 3.33Å; I87-E90 PolarHBondContact O-N 3.28Å; I87-I91 HydrophobicContact CG2-CD1 3.84Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 VanDerWaalsContact O-CG1 3.27Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3.01Å
88R75.7Confident73.3Confident53 Ų53101.7 Ų101.720%0.252%0.518CS..Hα-helixtrans-63.3-41176.2-75.7176.1168.7114.112.4112.7L84 R85 D86 E90 L92 V99 E105L84-R88 WeakPolarHBondContact O-CG 3.46Å; L84-R88 PolarHBondContact O-N 3.5Å; R85-R88 PolarHBondContact O-N 3.37Å; D86-R88 VanDerWaalsContact C-N 3.33Å; D86-R88 PolarHBondContact O-N 2.88Å; R88-E90 VanDerWaalsContact C-N 3.33Å; R88-L92 VanDerWaalsContact O-CB 3.25Å; R88-L92 WeakPolarHBondContact O-CB 3.22Å; R88-L92 PolarHBondContact O-N 3.43Å; R88-V99 HydrophobicContact CG-CB 4.41Å; R88-V99 PolarHBondContact NE-O 3.26Å; R88-E105 IonicContact CZ-OE1 3.79Å; R88-E105 VanDerWaalsContact CZ-OE1 3.32Å; R88-E105 IonicContact CZ-OE2 2.72Å; R88-E105 IonicContact NH1-OE1 2.87Å; R88-E105 PolarHBondContact NH1-OE1 3.1Å; R88-E105 IonicContact NH1-OE2 2.92Å; R88-E105 IonicContact NH2-OE1 3.69Å; R88-E105 PolarHBondContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.65Å; R88-E105 PolarHBondContact NH2-OE2 3.45Å
89L76Confident73.8Confident93 Ų9399.2 Ų99.249%0.48750%0.503SS..Hα-helixtrans-67.6-35.6176.8-71.8171.9000111.8R85 D86 K93R85-L89 HydrophobicContact CG-CD1 4.37Å; R85-L89 WeakPolarHBondContact O-CG 3.38Å; R85-L89 PolarHBondContact O-N 2.93Å; D86-L89 PolarHBondContact O-N 3.2Å; L89-K93 VanDerWaalsContact O-CB 3.28Å; L89-K93 WeakPolarHBondContact O-CB 3.27Å; L89-K93 PolarHBondContact O-N 3.02Å
90E79.8Confident74.2Confident76 Ų7697.2 Ų97.236%0.35550%0.501SS..Hα-helixtrans-67.5-48.5175-172.8165.4-15800111.1R82 D86 I87 R88 L92 K93 E94R82-E90 IonicContact NH1-OE2 3.79Å; D86-E90 WeakPolarHBondContact O-CB 3.48Å; D86-E90 PolarHBondContact O-N 3.24Å; I87-E90 PolarHBondContact O-N 3.28Å; R88-E90 VanDerWaalsContact C-N 3.33Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-K93 CarbonylContact O-C 3.54Å; E90-K93 WeakPolarHBondContact O-CB 3.21Å; E90-K93 PolarHBondContact O-N 3.24Å; E90-E94 WeakPolarHBondContact O-CG 3.39Å; E90-E94 PolarHBondContact O-N 2.84Å
91I77.3Confident74.3Confident58 Ų5894.3 Ų94.330%0.29749%0.494SS..Hα-helixtrans-59.6-42.2174.1-65.4165.8000110.6I87 K93 E94 S95 V99I87-I91 HydrophobicContact CG2-CD1 3.84Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 VanDerWaalsContact O-CG1 3.27Å; I87-I91 WeakPolarHBondContact O-CG1 3.32Å; I87-I91 PolarHBondContact O-N 3.01Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 3.35Å; I91-E94 PolarHBondContact O-N 3.14Å; I91-S95 WeakPolarHBondContact CG2-OG 3.31Å; I91-S95 WeakPolarHBondContact O-CB 3.44Å; I91-S95 PolarHBondContact O-N 3.08Å; I91-S95 PolarHBondContact O-OG 2.84Å; I91-V99 HydrophobicContact CB-CG2 4.38Å; I91-V99 HydrophobicContact CD1-CG2 4.16Å; I91-V99 HydrophobicContact CG2-CG2 3.65Å
92L78.7Confident74Confident61 Ų6192.3 Ų92.332%0.31948%0.48SS..Hα-helixtrans-60.6-42175.2177.558.2000111.6R88 E90 G96 L98R88-L92 VanDerWaalsContact O-CB 3.25Å; R88-L92 WeakPolarHBondContact O-CB 3.22Å; R88-L92 PolarHBondContact O-N 3.43Å; E90-L92 VanDerWaalsContact C-N 3.29Å; E90-L92 PolarHBondContact O-N 3.42Å; L92-G96 WeakPolarHBondContact O-CA 3.29Å; L92-G96 PolarHBondContact O-N 3.41Å; L92-L98 HydrophobicContact CD1-CD2 4.21Å; L92-L98 HydrophobicContact CD1-CG 3.76Å; L92-L98 HydrophobicContact CD2-CD2 3.91Å; L92-L98 HydrophobicContact CD2-CG 4.3Å
93K79Confident73.3Confident189 Ų18993.4 Ų93.482%0.82250%0.499SS*.Hα-helixtrans-68.8-38.5179.1-174.4-174.3175.5-164.80112.5L89 E90 I91L89-K93 VanDerWaalsContact O-CB 3.28Å; L89-K93 WeakPolarHBondContact O-CB 3.27Å; L89-K93 PolarHBondContact O-N 3.02Å; E90-K93 CarbonylContact O-C 3.54Å; E90-K93 WeakPolarHBondContact O-CB 3.21Å; E90-K93 PolarHBondContact O-N 3.24Å; I91-K93 VanDerWaalsContact C-N 3.31Å; I91-K93 PolarHBondContact O-N 3.35Å
94E79.4Confident72.1Confident152 Ų15291 Ų9171%0.7150%0.503SS*.Hα-helixtrans-84.7-42.3-175.6-70.4-175165.700113.3E90 I91E90-E94 WeakPolarHBondContact O-CG 3.39Å; E90-E94 PolarHBondContact O-N 2.84Å; I91-E94 PolarHBondContact O-N 3.14Å
95S78.6Confident71.1Confident67 Ų6790.4 Ų90.447%0.46950%0.497SS..Hα-helixtrans-103.6-15.9-172.871.50000113.7I91 V97I91-S95 WeakPolarHBondContact CG2-OG 3.31Å; I91-S95 WeakPolarHBondContact O-CB 3.44Å; I91-S95 PolarHBondContact O-N 3.08Å; I91-S95 PolarHBondContact O-OG 2.84Å; S95-V97 PolarHBondContact O-N 3.04Å; S95-V97 WeakPolarHBondContact OG-CB 3.38Å; S95-V97 PolarHBondContact OG-N 3.23Å; S95-V97 VanDerWaalsContact OG-N 3.09Å
96G75.6Confident69.6Low60 Ų6086.9 Ų86.962%0.61948%0.484SS*.  trans69.2-0.2-168.100000113.8L92L92-G96 WeakPolarHBondContact O-CA 3.29Å; L92-G96 PolarHBondContact O-N 3.41Å
97V72.6Confident68.3Low89 Ų8987.3 Ų87.354%0.53949%0.492SS..  trans-92.8120.1-178.8-176.70000109.9S95 V99S95-V97 PolarHBondContact O-N 3.04Å; S95-V97 WeakPolarHBondContact OG-CB 3.38Å; S95-V97 PolarHBondContact OG-N 3.23Å; S95-V97 VanDerWaalsContact OG-N 3.09Å; V97-V99 PolarHBondContact O-N 3Å
98L70.2Confident66.9Low135 Ų13591.2 Ų91.271%0.70752%0.518SS*.  trans-72.5105.2169.4-96.7166.6000109.8L92 A100L92-L98 HydrophobicContact CD1-CD2 4.21Å; L92-L98 HydrophobicContact CD1-CG 3.76Å; L92-L98 HydrophobicContact CD2-CD2 3.91Å; L92-L98 HydrophobicContact CD2-CG 4.3Å; L98-A100 PolarHBondContact O-N 3.44Å
99V68.6Low65.4Low61 Ų6193.9 Ų93.937%0.3754%0.541SS..  trans-75.293167.1-179.60000108.5R88 I91 V97R88-V99 HydrophobicContact CG-CB 4.41Å; R88-V99 PolarHBondContact NE-O 3.26Å; I91-V99 HydrophobicContact CB-CG2 4.38Å; I91-V99 HydrophobicContact CD1-CG2 4.16Å; I91-V99 HydrophobicContact CG2-CG2 3.65Å; V97-V99 PolarHBondContact O-N 3Å
100A65.1Low63.7Low60 Ų6096.7 Ų96.750%0.49655%0.552SS.*PPolyproline II helixtrans-59.8141.9178.400000111.2L98 T102L98-A100 PolarHBondContact O-N 3.44Å; A100-T102 PolarHBondContact O-N 3.15Å
101P63.3Low61.7Low54 Ų5497.8 Ų97.835%0.35157%0.565SS.*PPolyproline II helixtrans-58.7135.2168.5-2031.3000110.5E105 R106P101-E105 WeakPolarHBondContact CA-OE2 3.27Å; P101-E105 HydrophobicContact CB-CB 3.98Å; P101-R106 HydrophobicContact CB-CG 4.19Å; P101-R106 PolarHBondContact O-NE 3.47Å
102T58.4Low59.7Low66 Ų66101.1 Ų101.141%0.40558%0.584SS.*PPolyproline II helixtrans-61155.9172.257.80000110.2A100 S104 E105 R106A100-T102 PolarHBondContact O-N 3.15Å; T102-S104 PolarHBondContact O-N 3.32Å; T102-S104 PolarHBondContact OG1-OG 2.79Å; T102-E105 PolarHBondContact N-OE2 3.33Å; T102-E105 PolarHBondContact O-N 3.14Å; T102-E105 WeakPolarHBondContact OG1-CG 3.46Å; T102-E105 PolarHBondContact OG1-OE2 3.05Å; T102-R106 PolarHBondContact O-N 2.9Å
103P54.2Low57.7Low121 Ų121103.5 Ų103.579%0.78660%0.6SS**THydrogen-bonded Turntrans-53.7-28.8177.4-27.835.8000114E105P103-E105 VanDerWaalsContact C-N 3.29Å; P103-E105 PolarHBondContact O-N 3.3Å
104S52.5Low55.6Low111 Ų111100.8 Ų100.878%0.77660%0.602SS**THydrogen-bonded Turntrans-68.6-21.4174.328.50000114.6T102T102-S104 PolarHBondContact O-N 3.32Å; T102-S104 PolarHBondContact OG1-OG 2.79Å
105E54.8Low53.4Low74 Ų7497.3 Ų97.335%0.34661%0.607SS.*THydrogen-bonded Turntrans-100.3-14.2-178.9-65.8169.1105.600113.3L84 R88 P101 T102 P103 S107L84-E105 WeakPolarHBondContact CD2-OE1 3.3Å; R88-E105 IonicContact CZ-OE1 3.79Å; R88-E105 VanDerWaalsContact CZ-OE1 3.32Å; R88-E105 IonicContact CZ-OE2 2.72Å; R88-E105 IonicContact NH1-OE1 2.87Å; R88-E105 PolarHBondContact NH1-OE1 3.1Å; R88-E105 IonicContact NH1-OE2 2.92Å; R88-E105 IonicContact NH2-OE1 3.69Å; R88-E105 PolarHBondContact NH2-OE1 3.33Å; R88-E105 IonicContact NH2-OE2 3.65Å; R88-E105 PolarHBondContact NH2-OE2 3.45Å; P101-E105 WeakPolarHBondContact CA-OE2 3.27Å; P101-E105 HydrophobicContact CB-CB 3.98Å; T102-E105 PolarHBondContact N-OE2 3.33Å; T102-E105 PolarHBondContact O-N 3.14Å; T102-E105 WeakPolarHBondContact OG1-CG 3.46Å; T102-E105 PolarHBondContact OG1-OE2 3.05Å; P103-E105 VanDerWaalsContact C-N 3.29Å; P103-E105 PolarHBondContact O-N 3.3Å; E105-S107 PolarHBondContact O-N 3.23Å
106R47.2Very low51.3Low115 Ų11598.7 Ų98.743%0.43462%0.617SS.*SBendtrans-75111.7179-68.9-178.2178-137.34.3108.5P101 T102 D112P101-R106 HydrophobicContact CB-CG 4.19Å; P101-R106 PolarHBondContact O-NE 3.47Å; T102-R106 PolarHBondContact O-N 2.9Å; R106-D112 IonicContact CZ-OD2 3.58Å; R106-D112 IonicContact NH1-OD2 2.65Å; R106-D112 PolarHBondContact NH1-OD2 2.95Å
107S49.6Very low49.1Very low73 Ų73100.7 Ų100.751%0.5163%0.627SS.*  trans-57.5150.9170.759.80000109.9E105 T109 Q110E105-S107 PolarHBondContact O-N 3.23Å; S107-T109 PolarHBondContact O-N 2.85Å; S107-T109 PolarHBondContact OG-OG1 3.37Å; S107-Q110 PolarHBondContact O-N 3.49Å
108V48.1Very low47.2Very low147 Ų147104.7 Ų104.789%0.89164%0.638SS**THydrogen-bonded Turntrans-54.2-12.3179.1178.80000113.2
109T44.1Very low45.2Very low109 Ų109106.4 Ų106.467%0.66964%0.644SS**THydrogen-bonded Turntrans-88.4-2.2-172.853.60000116S107S107-T109 PolarHBondContact O-N 2.85Å; S107-T109 PolarHBondContact OG-OG1 3.37Å
110Q40.5Very low43.2Very low153 Ų153106.5 Ų106.572%0.71566%0.658SS**  trans-134.687.8178.7-73.4-94.9-67.900111.8S107S107-Q110 PolarHBondContact O-N 3.49Å
111P37.7Very low41.3Very low98 Ų98112.7 Ų112.764%0.63668%0.676SS**  trans-102.7127.9-179.121.4-3.8000113
112D36.7Very low39.5Very low129 Ų129115.9 Ų115.969%0.6970%0.699SS**  trans-92.616.6179.6-74.4-38.1000114.3R106R106-D112 IonicContact CZ-OD2 3.58Å; R106-D112 IonicContact NH1-OD2 2.65Å; R106-D112 PolarHBondContact NH1-OD2 2.95Å
113V36.1Very low37.9Very low110 Ų110118.4 Ų118.467%0.66772%0.72SS**  trans-122.1113.7-176.2-171.20000112.2G115V113-G115 PolarHBondContact O-N 2.72Å
114P34.6Very low36.4Very low132 Ų132117 Ų11786%0.85772%0.719SS**THydrogen-bonded Turntrans-56.5119166.2-22.633.5000110.4
115G33.9Very low35Very low79 Ų79116.6 Ų116.681%0.81472%0.716SS**THydrogen-bonded Turntrans128.7-10.8177.600000115.8V113 A117V113-G115 PolarHBondContact O-N 2.72Å; G115-A117 VanDerWaalsContact C-N 3.28Å; G115-A117 PolarHBondContact O-N 2.74Å; G115-A117 VanDerWaalsContact O-N 3.08Å
116S33.2Very low33.5Very low96 Ų96118.6 Ų118.667%0.67174%0.738SS**  trans-85.263.6174.4-178.50000111.7F118S116-F118 PolarHBondContact O-N 3.02Å
117A30Very low32.3Very low102 Ų102120.3 Ų120.384%0.84376%0.756SS**  trans-76.387.9178.800000111.2G115G115-A117 VanDerWaalsContact C-N 3.28Å; G115-A117 PolarHBondContact O-N 2.74Å; G115-A117 VanDerWaalsContact O-N 3.08Å
118F32.2Very low31Very low173 Ų173121.4 Ų121.476%0.75976%0.763SS**  trans-147.774.6167-164.2-92.1000110.7S116S116-F118 PolarHBondContact O-N 3.02Å
119M28.6Very low29.7Very low171 Ų171120.5 Ų120.584%0.84276%0.764SS**  trans165.596.2145.2-124.376.181.300108.6
120G26.1Very low28.8Very low63 Ų63121.2 Ų121.265%0.64977%0.767SS**  trans-149.5-6.4170.300000114.2S122G120-S122 PolarHBondContact O-N 3Å
121H26.2Very low28Very low190 Ų190121.8 Ų121.888%0.8878%0.776SS**SBendtrans-100.962-176.5-40.8-69.1000110.9
122S25.5Very low27.5Very low121 Ų121119.9 Ų119.985%0.84677%0.774SS**SBendtrans-159.9-2163.2-81.30000116.1G120G120-S122 PolarHBondContact O-N 3Å
123S24.7Very low26.8Very low119 Ų119123.1 Ų123.183%0.83278%0.784SS**SBendtrans-133.638.3-172-43.60000114.5
124A22.9Very low26.1Very low92 Ų92127.1 Ų127.176%0.7679%0.793SS**SBendtrans-166.683.6161.900000110.2
125S23.5Very low25.7Very low103 Ų103126.5 Ų126.572%0.7279%0.789SS**  trans-177.265.6144.3-94.90000109.1
126S21.8Very low25.1Very low116 Ų116131.7 Ų131.781%0.81179%0.79SS**SBendtrans-73.6127.9132-63.80000105.2
127N22Very low24.7Very low151 Ų151133.9 Ų133.981%0.80780%0.799SS**  trans84.886.8-175.3-48.8-5000114.2
128S22.6Very low24.3Very low96 Ų96131.7 Ų131.767%0.67179%0.786SS**  -165.7116.6108.362.40000109.2V130S128-V130 PolarHBondContact O-N 3.13Å
129S21.6Very low23.7Very low128 Ų128126.6 Ų126.690%0.89578%0.782SS**  trans-65.3107.7162.9-46.80000107.4
130V25Very low23.5Very low123 Ų123127.2 Ų127.275%0.74579%0.788SS**  trans-132.7106.3162175.50000107.3S128 G132S128-V130 PolarHBondContact O-N 3.13Å; V130-G132 PolarHBondContact O-N 3.46Å
131N23.3Very low23Very low166 Ų166129.4 Ų129.489%0.88879%0.793SS**  trans-52121.9164.7-73.2-12.4000109.2
132G26.6Very low22.7Very low58 Ų58125.8 Ų125.860%0.59879%0.79SS**  trans-150.6103.917200000108.2V130 F134V130-G132 PolarHBondContact O-N 3.46Å; G132-F134 PolarHBondContact O-N 3.13Å
133E23Very low22.5Very low196 Ų196125.8 Ų125.892%0.91679%0.789SS**  trans-53.8117.3-174-61.2166.3148.300111.7
134F21.6Very low22.2Very low195 Ų195125.5 Ų125.586%0.85579%0.787SS**  trans-105.5125161.8-87.5-81.6000108.8G132 F136G132-F134 PolarHBondContact O-N 3.13Å; F134-F136 PolarHBondContact O-N 2.85Å
135P25.1Very low22.3Very low119 Ų119125.8 Ų125.877%0.77378%0.784SS**  trans-75.4122.2-176.430.4-31.2000110
136F21.3Very low22.4Very low188 Ų188130.4 Ų130.483%0.82579%0.791SS**  trans-65126.5168.7-178.8-99.2000110.6F134F134-F136 PolarHBondContact O-N 2.85Å
137V25.1Very low22.5Very low141 Ų141132.7 Ų132.786%0.85579%0.794SS**  trans-118.1130.7158.3176.30000107.2
138G21.2Very low22.9Very low56 Ų56133.7 Ų133.758%0.57780%0.8SS**  trans-57.8167.1-171.400000113.5
139G21.4Very low23Very low66 Ų66132.7 Ų132.768%0.6881%0.805SS**  cis147100.128.400000104.5
140L22.3Very low23.3Very low185 Ų185130.2 Ų130.297%0.96980%0.8SS**  trans-143.493.9163.9-70.8179000105.8
141S17Very low23.4Very low108 Ų108132.4 Ų132.476%0.75581%0.806SS**  trans-84.7152.1169.142.30000110.3
142S19.8Very low24Very low115 Ų115130.3 Ų130.380%0.80480%0.795SS**  trans71.191.6157.568.30000118.6
143S21.9Very low24.5Very low120 Ų120133.9 Ų133.984%0.83981%0.805SS**  -148.5109.8123.660.40000109.9
144S18.5Very low25.2Very low113 Ų113126.5 Ų126.579%0.7978%0.782SS**  trans-62.7128.7168.1165.70000110.9
145S23.6Very low26Very low99 Ų99124.5 Ų124.569%0.69278%0.775SS**  172.6123.9125.5-81.70000113.3
146K25.9Very low26.5Very low199 Ų199122.5 Ų122.587%0.86577%0.768SS**  trans59.6100142.1-68.8176.5177.11750119.3N148K146-N148 PolarHBondContact O-N 3.28Å
147N24Very low27.7Very low164 Ų164120.9 Ų120.988%0.87776%0.761SS**  trans0.9111.4137.7-76.1-8.9000116.4
148N29.6Very low29.3Very low172 Ų172117 Ų11792%0.9274%0.74SS**  trans-114.3122.1139.1-104.6-11.8000107.7K146K146-N148 PolarHBondContact O-N 3.28Å
149G25.4Very low30.3Very low76 Ų76124 Ų12478%0.78475%0.749SS**  trans-61.8138.8-168.900000113.2L151G149-L151 PolarHBondContact O-N 3.47Å
150G27.1Very low31.8Very low76 Ų76127.1 Ų127.178%0.78475%0.748SS**  trans-57.5131.7173.300000112N152G150-N152 PolarHBondContact O-N 3.02Å
151L28Very low33.3Very low168 Ų168124.5 Ų124.588%0.8873%0.73SS**  trans-64.998.1173.6-170.266.6000110G149G149-L151 PolarHBondContact O-N 3.47Å
152N36.5Very low34.7Very low122 Ų122123.8 Ų123.865%0.65272%0.718SS**  trans24.891.6151.5-64.8-25.5000119.1G150 G154G150-N152 PolarHBondContact O-N 3.02Å; N152-G154 PolarHBondContact O-N 3.47Å
153T36.1Very low36.2Very low133 Ų133121.3 Ų121.382%0.81670%0.704SS**THydrogen-bonded Turntrans-69.422.2152.851.10000113.5
154G38.9Very low38Very low41 Ų41122.7 Ų122.742%0.42369%0.691SS.*THydrogen-bonded Turntrans-88.9-29.2-173.100000114.4N152 A156 K157 S158N152-G154 PolarHBondContact O-N 3.47Å; G154-A156 PolarHBondContact O-N 3.31Å; G154-K157 PolarHBondContact O-N 3.29Å; G154-S158 PolarHBondContact O-N 3.36Å; G154-S158 VanDerWaalsContact O-N 3.14Å
155E38Very low39.5Very low153 Ų153122.1 Ų122.172%0.71568%0.677SS**Hα-helixtrans-70.3-38.2-171-66.6-178.4165.600112.8K157 S158 W159E155-K157 VanDerWaalsContact C-N 3.34Å; E155-K157 PolarHBondContact O-N 2.86Å; E155-S158 WeakPolarHBondContact O-CB 3.41Å; E155-S158 PolarHBondContact O-N 2.84Å; E155-W159 PolarHBondContact O-N 2.99Å
156A35.3Very low41Very low77 Ų77118.9 Ų118.964%0.63666%0.659SS**Hα-helixtrans-66.3-34.8177.600000112.9G154 M160G154-A156 PolarHBondContact O-N 3.31Å; A156-M160 PolarHBondContact O-N 3.43Å
157K45.8Very low42.3Very low155 Ų155116.5 Ų116.567%0.67465%0.651SS**Hα-helixtrans-67.6-40.8173.6-76.5-178.1177.6177.80111G154 E155 W159 M160 E161G154-K157 PolarHBondContact O-N 3.29Å; E155-K157 VanDerWaalsContact C-N 3.34Å; E155-K157 PolarHBondContact O-N 2.86Å; K157-W159 PolarHBondContact O-N 2.81Å; K157-M160 PolarHBondContact O-N 3.25Å; K157-E161 PolarHBondContact O-N 3.25Å
158S58.4Low43.7Very low58 Ų58112.7 Ų112.741%0.40663%0.628SS.*Hα-helixtrans-61.5-44.4178.8-171.80000112G154 E155 M160 E161 L162G154-S158 PolarHBondContact O-N 3.36Å; G154-S158 VanDerWaalsContact O-N 3.14Å; E155-S158 WeakPolarHBondContact O-CB 3.41Å; E155-S158 PolarHBondContact O-N 2.84Å; S158-M160 PolarHBondContact O-N 3.46Å; S158-E161 PolarHBondContact O-N 2.94Å; S158-L162 WeakPolarHBondContact O-CB 3.39Å; S158-L162 VanDerWaalsContact O-CG 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.39Å; S158-L162 PolarHBondContact O-N 3.42Å
159W43.3Very low44.3Very low204 Ų204110 Ų11077%0.77361%0.613SS**Hα-helixtrans-64.7-40.5179-111.177.5000113.6E155 K157 L162 A163E155-W159 PolarHBondContact O-N 2.99Å; K157-W159 PolarHBondContact O-N 2.81Å; W159-L162 PolarHBondContact O-N 3.31Å; W159-A163 WeakPolarHBondContact O-CB 2.96Å; W159-A163 PolarHBondContact O-N 3.34Å
160M52.2Low45.3Very low132 Ų132111.6 Ų111.665%0.6561%0.611SS**Hα-helixtrans-69.6-34.1175.4-76.2-130.4-91.900112.8A156 K157 S158 R164A156-M160 PolarHBondContact O-N 3.43Å; K157-M160 PolarHBondContact O-N 3.25Å; S158-M160 PolarHBondContact O-N 3.46Å; M160-R164 WeakPolarHBondContact O-CB 3.47Å; M160-R164 PolarHBondContact O-N 3.04Å
161E54.7Low46.2Very low129 Ų129118 Ų11860%0.60361%0.611SS**Hα-helixtrans-66.7-42.2171-94.9178.1156.800112.3K157 S158 R164 M165K157-E161 PolarHBondContact O-N 3.25Å; S158-E161 PolarHBondContact O-N 2.94Å; E161-R164 PolarHBondContact O-N 3.41Å; E161-M165 WeakPolarHBondContact O-CB 3.31Å; E161-M165 PolarHBondContact O-N 2.96Å
162L45.1Very low46.5Very low93 Ų93115.7 Ų115.749%0.48760%0.596SS.*Hα-helixtrans-64-39.6175.4-71.2176.8000112.1S158 W159 M165 G166S158-L162 WeakPolarHBondContact O-CB 3.39Å; S158-L162 VanDerWaalsContact O-CG 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.39Å; S158-L162 PolarHBondContact O-N 3.42Å; W159-L162 PolarHBondContact O-N 3.31Å; L162-M165 HydrophobicContact CD2-SD 3.38Å; L162-M165 WeakPolarHBondContact CD2-SD 3.5Å; L162-M165 HydrophobicContact CG-SD 4.47Å; L162-M165 VanDerWaalsContact O-CG 3.31Å; L162-M165 WeakPolarHBondContact O-CG 3.46Å; L162-G166 PolarHBondContact O-N 3.06Å
163A52.9Low46.2Very low63 Ų63114 Ų11452%0.52159%0.594SS.*Hα-helixtrans-64-45174.800000111.2W159 G166 E167W159-A163 WeakPolarHBondContact O-CB 2.96Å; W159-A163 PolarHBondContact O-N 3.34Å; A163-G166 PolarHBondContact O-N 3.46Å; A163-E167 PolarHBondContact O-N 2.86Å
164R58.7Low46.2Very low149 Ų149113 Ų11356%0.56259%0.59SS**Hα-helixtrans-65.8-39.5178.4-164.7-177.7-67.7111-0.9112.2M160 E161 G166 E167 E168M160-R164 WeakPolarHBondContact O-CB 3.47Å; M160-R164 PolarHBondContact O-N 3.04Å; E161-R164 PolarHBondContact O-N 3.41Å; R164-G166 VanDerWaalsContact C-N 3.31Å; R164-E167 PolarHBondContact O-N 2.76Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 3.44Å
165M50.2Low45.8Very low102 Ų102122.3 Ų122.350%0.50261%0.612SS.*Hα-helixtrans-67.7-34.1175.590.1-169.5-80.700111.4E161 L162 E168 L169E161-M165 WeakPolarHBondContact O-CB 3.31Å; E161-M165 PolarHBondContact O-N 2.96Å; L162-M165 HydrophobicContact CD2-SD 3.38Å; L162-M165 WeakPolarHBondContact CD2-SD 3.5Å; L162-M165 HydrophobicContact CG-SD 4.47Å; L162-M165 VanDerWaalsContact O-CG 3.31Å; L162-M165 WeakPolarHBondContact O-CG 3.46Å; M165-E168 PolarHBondContact O-N 2.8Å; M165-L169 WeakPolarHBondContact O-CB 3.23Å; M165-L169 VanDerWaalsContact O-CG 3.25Å; M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.2Å
166G55.1Low45.3Very low31 Ų31121.7 Ų121.732%0.3261%0.614SS.*Hα-helixtrans-63.3-46.2174.400000111.9L162 A163 R164 E168 L169 C170L162-G166 PolarHBondContact O-N 3.06Å; A163-G166 PolarHBondContact O-N 3.46Å; R164-G166 VanDerWaalsContact C-N 3.31Å; G166-E168 VanDerWaalsContact C-N 3.34Å; G166-E168 PolarHBondContact O-N 3.04Å; G166-L169 PolarHBondContact O-N 3.26Å; G166-C170 PolarHBondContact O-N 3.23Å; G166-C170 VanDerWaalsContact O-N 3.12Å; G166-C170 PolarHBondContact O-SG 3.39Å; G166-C170 VanDerWaalsContact O-SG 3.39Å
167E54.2Low44.8Very low148 Ų148127.4 Ų127.469%0.69263%0.625SS**Hα-helixtrans-60.7-42.5173.6-114.4-176.7165.800112.3A163 R164 C170 R171A163-E167 PolarHBondContact O-N 2.86Å; R164-E167 PolarHBondContact O-N 2.76Å; E167-C170 PolarHBondContact O-N 3.28Å; E167-R171 PolarHBondContact O-N 2.92Å
168E51.4Low43.8Very low85 Ų85126 Ų12640%0.39763%0.633SS.*Hα-helixtrans-67-39.7180-168.358.5-146.400111.7R164 M165 G166 C170 R171 Q172R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 3.44Å; M165-E168 PolarHBondContact O-N 2.8Å; G166-E168 VanDerWaalsContact C-N 3.34Å; G166-E168 PolarHBondContact O-N 3.04Å; E168-C170 VanDerWaalsContact C-N 3.32Å; E168-C170 PolarHBondContact O-N 3.2Å; E168-R171 PolarHBondContact O-N 3.47Å; E168-R171 VanDerWaalsContact O-N 3.17Å; E168-Q172 HydrophobicContact CG-CG 4.37Å; E168-Q172 VanDerWaalsContact CG-NE2 3.27Å; E168-Q172 WeakPolarHBondContact O-CB 3.44Å; E168-Q172 WeakPolarHBondContact O-CG 3.47Å; E168-Q172 PolarHBondContact O-N 2.92Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.48Å; E168-Q172 PolarHBondContact OE1-NE2 3.19Å
169L42.8Very low42.2Very low114 Ų114130.2 Ų130.260%0.59765%0.65SS**Hα-helixtrans-63.5-36.3173.6-74.4172.2000112.4M165 G166 R171 Q172M165-L169 WeakPolarHBondContact O-CB 3.23Å; M165-L169 VanDerWaalsContact O-CG 3.25Å; M165-L169 WeakPolarHBondContact O-CG 3.48Å; M165-L169 PolarHBondContact O-N 3.2Å; G166-L169 PolarHBondContact O-N 3.26Å; L169-R171 VanDerWaalsContact C-N 3.33Å; L169-Q172 PolarHBondContact O-N 3.07Å
170C45.9Very low41.5Very low110 Ų110128.5 Ų128.574%0.74366%0.655SS**Hα-helixtrans-69.5-30175-70.30000112.6G166 E167 E168G166-C170 PolarHBondContact O-N 3.23Å; G166-C170 VanDerWaalsContact O-N 3.12Å; G166-C170 PolarHBondContact O-SG 3.39Å; G166-C170 VanDerWaalsContact O-SG 3.39Å; E167-C170 PolarHBondContact O-N 3.28Å; E168-C170 VanDerWaalsContact C-N 3.32Å; E168-C170 PolarHBondContact O-N 3.2Å
171R47.2Very low40.2Very low210 Ų210129.1 Ų129.179%0.79266%0.661SS**Hα-helixtrans-77-36.1172.3-81.4-176.361.193.21.9112.7E167 E168 L169 S173E167-R171 PolarHBondContact O-N 2.92Å; E168-R171 PolarHBondContact O-N 3.47Å; E168-R171 VanDerWaalsContact O-N 3.17Å; L169-R171 VanDerWaalsContact C-N 3.33Å; R171-S173 PolarHBondContact O-N 2.92Å; R171-S173 VanDerWaalsContact O-N 3.1Å
172Q33.1Very low38.7Very low121 Ų121130.5 Ų130.557%0.56567%0.673SS**  trans-84.236.9-176.6-67.4-17227.400113.9E168 L169 P174E168-Q172 HydrophobicContact CG-CG 4.37Å; E168-Q172 VanDerWaalsContact CG-NE2 3.27Å; E168-Q172 WeakPolarHBondContact O-CB 3.44Å; E168-Q172 WeakPolarHBondContact O-CG 3.47Å; E168-Q172 PolarHBondContact O-N 2.92Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.48Å; E168-Q172 PolarHBondContact OE1-NE2 3.19Å; L169-Q172 PolarHBondContact O-N 3.07Å; Q172-P174 WeakPolarHBondContact O-CD 3.45Å
173S31.9Very low37.7Very low87 Ų87134.4 Ų134.461%0.60869%0.686SS**  trans-64.4115.2159.7178.20000107.5R171 R175R171-S173 PolarHBondContact O-N 2.92Å; R171-S173 VanDerWaalsContact O-N 3.1Å; S173-R175 PolarHBondContact O-N 2.78Å
174P34.5Very low36.5Very low112 Ų112138.3 Ų138.373%0.72770%0.698SS**  trans-59.2113.9-174.6-2233.5000109.8Q172Q172-P174 WeakPolarHBondContact O-CD 3.45Å
175R31.6Very low34.9Very low236 Ų236143 Ų14389%0.89172%0.716SS**  trans-86.17.8170.5-82.2-152.1-175.4176.33.7112.8S173 F177S173-R175 PolarHBondContact O-N 2.78Å; R175-F177 PolarHBondContact O-N 3.12Å
176D27.2Very low33.7Very low139 Ų139146.6 Ų146.674%0.74374%0.735SS**  trans-104.374.6-173.4-59-31.1000111.3
177F24.7Very low32.2Very low197 Ų197148 Ų14886%0.86475%0.749SS**  trans-110.769.6148.1-98.5-81.6000108R175R175-F177 PolarHBondContact O-N 3.12Å
178C23.9Very low30.9Very low127 Ų127149.8 Ų149.886%0.85876%0.758SS**  trans-91.787.5159.2-86.10000107.6
179L26Very low29.5Very low145 Ų145151.5 Ų151.576%0.75978%0.779SS**  trans-144.586.9168.4-116178.7000108.2
180L28.2Very low28.8Very low168 Ų168151.4 Ų151.488%0.8879%0.785SS**  trans175.290.6143-95.3142.7000107.8N182L180-N182 PolarHBondContact O-N 3.11Å
181D24.3Very low27.7Very low145 Ų145154 Ų15478%0.77579%0.79SS**  trans-46.5120.1151.9-87.2-55.3000109.6
182N23.9Very low26.7Very low158 Ų158148.3 Ų148.385%0.84578%0.783SS**  trans-138.279.4147.6-145.14.1000108.7L180 N184L180-N182 PolarHBondContact O-N 3.11Å; N182-N184 PolarHBondContact O-N 3.34Å; N182-N184 VanDerWaalsContact O-N 3.12Å
183K24.1Very low26.4Very low176 Ų176151.3 Ų151.377%0.76580%0.796SS**  trans-60.1104.7157.8-75.2-179.9176.71740108
184N26.9Very low26.1Very low144 Ų144156.6 Ų156.677%0.7781%0.809SS**  trans166.7101.7138.3-89-18.1000109.9N182N182-N184 PolarHBondContact O-N 3.34Å; N182-N184 VanDerWaalsContact O-N 3.12Å
185R24.9Very low25.8Very low247 Ų247160.3 Ų160.393%0.93282%0.816SS**  trans179.793.8132.8-97.7169.6-142.6-121.66.6108.7
186I25.9Very low25.4Very low179 Ų179152.5 Ų152.592%0.91881%0.81SS**  trans-87.4136.3155.4-70.3165.5000105.8
187G24.5Very low25.3Very low59 Ų59156.2 Ų156.261%0.60881%0.813SS**  trans90.5128.3179.200000111.5
188E26Very low25.5Very low187 Ų187152.6 Ų152.687%0.87481%0.809SS**  cis-151.1150.419-67.2175.3141.800107P190E188-P190 VanDerWaalsContact O-CD 3.26Å; E188-P190 WeakPolarHBondContact O-CD 3.42Å
189S21.1Very low25.7Very low120 Ų120155.1 Ų155.184%0.83981%0.808SS**  trans-83110.1164.6-54.40000108.3
190P28.2Very low25.8Very low113 Ų113153 Ų15373%0.73481%0.811SS**  trans-88.2113.4165.114.65.6000107.3E188 S192E188-P190 VanDerWaalsContact O-CD 3.26Å; E188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-S192 PolarHBondContact O-N 3.13Å
191I23.4Very low25.8Very low163 Ų163148.6 Ų148.684%0.83681%0.807SS**  trans-57102.2158.5-65.6161.1000106.6
192S27Very low25.9Very low92 Ų92150.1 Ų150.164%0.64381%0.813SS**  trans-116102.1163.769.90000108.8P190 F194P190-S192 PolarHBondContact O-N 3.13Å; S192-F194 PolarHBondContact O-N 2.96Å
193Q25.9Very low26.1Very low183 Ų183147 Ų14786%0.85581%0.809SS**  trans-45.4115.8162-65.6165.8-34.700109.6
194F26.2Very low26.3Very low198 Ų198145.2 Ų145.287%0.86881%0.813SS**  trans-117.8121.6159.1-108.7-85.6000108.9S192S192-F194 PolarHBondContact O-N 2.96Å
195H28.6Very low26.4Very low190 Ų190144.1 Ų144.188%0.8882%0.817SS**  trans-51.1134.9-179.5-88.3-77.8000112.4
196G22.9Very low26.6Very low73 Ų73140 Ų14075%0.75381%0.814SS**  trans-60.6135.8165.300000111.9
197R24.5Very low26.9Very low217 Ų217142.1 Ų142.182%0.81981%0.81SS**  trans-142.6104.3146.5-165.8174.2-170.3-176.13.1108.2Q199R197-Q199 PolarHBondContact O-N 2.92Å
198P28.2Very low26.9Very low120 Ų120150.8 Ų150.878%0.77982%0.824SS**  trans-79.9108.7174.630.2-27.3000108.3
199Q29Very low27Very low181 Ų181150.6 Ų150.685%0.84682%0.821SS**  trans-89.595.3156.1-80.6-158.24.400107.3R197R197-Q199 PolarHBondContact O-N 2.92Å
200A29.1Very low27.3Very low99 Ų99152.9 Ų152.982%0.81882%0.823SS**  trans-85.6145.3168.300000109.8
201G28.1Very low27Very low76 Ų76152.6 Ų152.678%0.78482%0.823SS**  trans113.171.314800000116.6
202I24.8Very low27.3Very low177 Ų177150.5 Ų150.591%0.90882%0.823SS**  trans-69.4118.5152.8-65.5162.9000107.4
203A29Very low27.2Very low92 Ų92154.6 Ų154.676%0.7683%0.83SS**  trans-159.787.2162.700000111
204T28.6Very low27.4Very low140 Ų140153.8 Ų153.886%0.85983%0.831SS**  trans-118.596.8159.750.60000107.9
205S29.1Very low27.4Very low121 Ų121151.5 Ų151.585%0.84683%0.828SS**  trans-129.495.8167.6-770000108.1R207S205-R207 PolarHBondContact O-N 3.39Å
206N27.7Very low27.4Very low161 Ų161149.8 Ų149.886%0.86183%0.825SS**  trans-73.698.4168.7-89.9-30.2000108.8
207R32.4Very low27.3Very low223 Ų223150.8 Ų150.884%0.84282%0.82SS**  trans-123.6103.8152.9-74.3-146-178.6-177.93.9109S205 F209S205-R207 PolarHBondContact O-N 3.39Å; R207-F209 PolarHBondContact O-N 3.48Å
208R24.5Very low27.6Very low240 Ų240148.3 Ų148.391%0.90682%0.817SS**  trans-84.5101-179.2-170.3-177-82.7163.4-9.2107.2
209F28.4Very low27.4Very low184 Ų184146.8 Ų146.881%0.80781%0.809SS**  trans-101.4150164.6-87.1-75.6000110.2R207R207-F209 PolarHBondContact O-N 3.48Å
210L28.3Very low27.3Very low167 Ų167144.5 Ų144.587%0.87480%0.803SS**  trans-69.3137.2-168.6-67.3161.9000113.3
211S22.5Very low27.1Very low107 Ų107145.4 Ų145.475%0.74879%0.794SS**  trans26.6113.7133.6173.50000118.1
212S29.2Very low27.1Very low119 Ų119148.5 Ų148.583%0.83279%0.791SS**  -152.6120.5119.7-150.70000110.5
213K24.3Very low27.7Very low179 Ų179144.6 Ų144.678%0.77878%0.777SS**  trans-70.6135.7168.9-72.2173.4170.2178.90108.7
214N30.7Very low27.6Very low166 Ų166148.7 Ų148.789%0.88878%0.78SS**  trans-16196141.8-100.6-1.8000107.7
215D25.1Very low27.6Very low149 Ų149151.1 Ų151.180%0.79778%0.782SS**  trans-98.8131.8170.7-72.8-52.3000109
216L28.5Very low27.3Very low155 Ų155148.5 Ų148.581%0.81277%0.774SS**  trans163.396.4143.2-110.567.2000105.8
217S22.4Very low27.4Very low93 Ų93146.7 Ų146.765%0.6577%0.774SS**  65.5142.979.785.10000113.9
218H30.6Very low26.9Very low166 Ų166145.6 Ų145.677%0.76978%0.775SS**  trans112.782.8-179.4-66.362.9000111.3
219S24.3Very low27.2Very low87 Ų87140 Ų14061%0.60877%0.77SS**  83.7135.564.4810000114
220N25.1Very low26.9Very low134 Ų134138.5 Ų138.572%0.71777%0.77SS**  trans78.2138.6158.8-55.1-19.8000116.3
221N26.4Very low26.7Very low117 Ų117137.7 Ų137.763%0.62677%0.767SS**  cis-176.6135.5-2-108.1-24.1000106.5
222I27.7Very low27Very low141 Ų141138 Ų13872%0.72377%0.765SS**  trans67.4151.6131.2-57.6171.9000117.6
223P37.3Very low26.7Very low96 Ų96139.6 Ų139.662%0.62376%0.764SS**  cis-135.6161.3-25.535.2-17.1000116.7
224H25.7Very low26.8Very low178 Ų178135.9 Ų135.982%0.82476%0.76SS**  43146.8129.8-59-69000125.7
225Q29.9Very low26.4Very low191 Ų191139.8 Ų139.889%0.89376%0.763SS**  trans90.2113.4160.9-52.9-147.632.900114.1
226G22.7Very low26.5Very low66 Ų66138.8 Ų138.868%0.6876%0.762SS**  cis97.886.12000000110.2
227S28.7Very low26.2Very low123 Ų123141.4 Ų141.486%0.8677%0.767SS**  trans174.3120.9143.427.20000111.5
228K23.2Very low26.4Very low200 Ų200146.6 Ų146.687%0.8778%0.778SS**  trans-63147156.2-74174.8171.31770108
229P29.4Very low26.1Very low122 Ų122144.7 Ų144.779%0.79278%0.778SS**  -145.8157.187.733-13.5000115.5
230N23Very low26.1Very low152 Ų152148 Ų14881%0.81378%0.784SS**  trans-32.3139.4160.7-54.9-23.9000113.1
231N24Very low26.3Very low151 Ų151149.6 Ų149.681%0.80779%0.785SS**  170.9153.2102.5-150.3-2.1000110.6
232T28.7Very low26.2Very low114 Ų114151.3 Ų151.370%0.69979%0.792SS**  trans87.197.5151-32.60000118.4
233D22.4Very low26.1Very low152 Ų152154 Ų15481%0.81380%0.802SS**  trans-43.5127.1149.7-63.8-59.9000112.5
234S28.1Very low25.6Very low101 Ų101155.6 Ų155.671%0.70681%0.809SS**  trans-162.5112.1147-171.20000110.1T236S234-T236 PolarHBondContact O-N 2.99Å
235W20.7Very low25.7Very low248 Ų248153 Ų15394%0.93981%0.811SS**  trans-67116.5175.3-74.846.1000109.6
236T27.9Very low25.6Very low128 Ų128148.5 Ų148.579%0.78580%0.801SS**  trans-109.5123.6166.947.60000109.9S234 K238S234-T236 PolarHBondContact O-N 2.99Å; T236-K238 PolarHBondContact O-N 3.3Å
237K22.7Very low25.7Very low209 Ų209153.5 Ų153.591%0.90981%0.812SS**  trans-53.2119.4178.2-66.3169.6176176.10110.4
238K25.7Very low25.8Very low203 Ų203152.9 Ų152.988%0.88380%0.803SS**  trans-124.397.2161.8-139.5177.3-176.6-178.10108.4T236T236-K238 PolarHBondContact O-N 3.3Å
239T23.7Very low25.9Very low126 Ų126146.1 Ų146.177%0.77379%0.79SS**  trans-60.5124162.6360000109.5
240E26Very low25.6Very low155 Ų155152.6 Ų152.672%0.72480%0.799SS**  trans-173.9131.5140.3-106.9-173.2136.700112.8
241K27.7Very low25.7Very low169 Ų169151.7 Ų151.774%0.73580%0.798SS**  trans65.292147.4-70.8169.4179.51450120.9
242I24.7Very low25.6Very low152 Ų152156.3 Ų156.378%0.77980%0.804SS**  20.3106119.8-50.1169.4000116.2V244I242-V244 HydrophobicContact CG2-CG2 3.89Å
243E26.3Very low25.3Very low198 Ų198153.9 Ų153.993%0.92580%0.802SS**  trans-133127.7140.3-106.7-178.7177.800108.3
244V27.5Very low25.5Very low129 Ų129153.3 Ų153.378%0.78280%0.804SS**  trans-91.3110.5-166.5174.70000108.8I242I242-V244 HydrophobicContact CG2-CG2 3.89Å
245S27.3Very low25.4Very low123 Ų123154.8 Ų154.886%0.8680%0.804SS**  trans-152.589.9158.4-168.20000108.4
246S27.5Very low25.5Very low97 Ų97148.7 Ų148.768%0.67880%0.796SS**  trans-91.4101.6177.655.70000109.8V248S246-V248 PolarHBondContact O-N 2.99Å
247D24.8Very low25.4Very low172 Ų172151.3 Ų151.392%0.9280%0.796SS**  trans-62.9104.3156.1-117.2-21.9000108
248V31.1Very low25.7Very low109 Ų109149.4 Ų149.466%0.66180%0.795SS**  trans-100.999174.4-156.30000107.6S246 W250S246-V248 PolarHBondContact O-N 2.99Å; V248-W250 PolarHBondContact O-N 3.22Å
249G24.4Very low25.6Very low58 Ų58151.4 Ų151.460%0.59880%0.797SS**  trans-53133.7166.800000110.6V251G249-V251 PolarHBondContact O-N 2.94Å
250W23.1Very low25.8Very low259 Ų259152.3 Ų152.398%0.98180%0.797SS**  trans-63.3100.9-178.2-7078.2000110.7V248V248-W250 PolarHBondContact O-N 3.22Å
251V26.3Very low25.7Very low132 Ų132150.5 Ų150.580%0.880%0.801SS**  trans-71.2124.2175.6171.60000109.9G249G249-V251 PolarHBondContact O-N 2.94Å
252R21.8Very low25.6Very low249 Ų249148.9 Ų148.994%0.9481%0.806SS**  trans-64.9126.8161.4-84.8-179.6173.5172.5-1.7109.5
253G22.7Very low25.8Very low63 Ų63148.8 Ų148.865%0.64981%0.805SS**  trans164.2111.7160.600000115.8
254V24.7Very low25.7Very low140 Ų140145.5 Ų145.585%0.84880%0.799SS**  trans73.7107.6144.7-160.10000117.4
255N26.2Very low25.6Very low132 Ų132147.2 Ų147.271%0.70680%0.803SS**  175.9105.3101.2-158.2-12.7000111.3K257N255-K257 PolarHBondContact O-N 2.91Å
256P24.1Very low25.4Very low119 Ų119146.6 Ų146.677%0.77380%0.798SS**  trans-9380.2177.735.2-28.7000110.5
257K25.8Very low25.4Very low184 Ų184149 Ų14980%0.880%0.803SS**  trans-151.372.3170.2-73.6-168.9179.5171.20112.8N255N255-K257 PolarHBondContact O-N 2.91Å
258L28.6Very low25.3Very low168 Ų168144.8 Ų144.888%0.8880%0.801SS**  trans-137.995.3153.3-86.4168.7000108.2N260L258-N260 PolarHBondContact O-N 3.48Å
259R23.4Very low25.1Very low246 Ų246146.1 Ų146.193%0.92880%0.803SS**  trans-74112166.5-75.7176.5178.5149.9-2.8107.1
260N27Very low25.1Very low145 Ų145149.3 Ų149.378%0.77582%0.816SS**  trans-110.8120.4155.8-83.2-0.9000108.1L258 V262L258-N260 PolarHBondContact O-N 3.48Å; N260-V262 PolarHBondContact O-N 3.16Å
261S24.4Very low25.4Very low116 Ų116141.8 Ų141.881%0.81180%0.799SS**  trans-62.2120175.447.70000110.9
262V25.2Very low25.8Very low136 Ų136141.8 Ų141.882%0.82480%0.799SS**  trans-110.7123.7164.4176.70000107.8N260 T264N260-V262 PolarHBondContact O-N 3.16Å; V262-T264 PolarHBondContact O-N 3.27Å
263I29Very low26.5Very low150 Ų150134 Ų13477%0.76978%0.777SS**  trans-68.9117.6-178-64165.8000108.3L265I263-L265 PolarHBondContact O-N 3.33Å
264T24.6Very low27.6Very low128 Ų128135.7 Ų135.779%0.78578%0.778SS**  trans-73.6110.4171460000110V262V262-T264 PolarHBondContact O-N 3.27Å
265L25.5Very low28.7Very low166 Ų166135.5 Ų135.587%0.86977%0.773SS**  trans-79.3119.6163.4-74.8162.9000108.6I263I263-L265 PolarHBondContact O-N 3.33Å
266S22.4Very low29.9Very low109 Ų109131 Ų13176%0.76275%0.748SS**  trans-97.992.7179.5420000109.2
267N28.7Very low31.2Very low147 Ų147127.7 Ų127.779%0.78673%0.727SS**  trans-117.998.9163.5-83.88.4000108.3I269N267-I269 PolarHBondContact O-N 3Å
268G23Very low32.3Very low85 Ų85122.9 Ų122.988%0.87671%0.714SS**  trans-72.9112.3169.300000109.5
269I25.9Very low33.2Very low136 Ų136123.4 Ų123.470%0.69771%0.705SS**  trans-122.8116.5165.1-61.3173.2000106.4N267 T271N267-I269 PolarHBondContact O-N 3Å; I269-T271 HydrophobicContact CG2-CG2 4.41Å; I269-T271 PolarHBondContact O-N 3.4Å; I269-T271 VanDerWaalsContact O-N 3.16Å
270S24.4Very low34.5Very low126 Ų126114.1 Ų114.188%0.88167%0.672SS**  trans-68.7102.2175.7-58.80000109.4
271T28.9Very low36Very low100 Ų100110.4 Ų110.461%0.61365%0.652SS**  trans-99.4128.2168.556.40000110.4I269 N273I269-T271 HydrophobicContact CG2-CG2 4.41Å; I269-T271 PolarHBondContact O-N 3.4Å; I269-T271 VanDerWaalsContact O-N 3.16Å; T271-N273 PolarHBondContact O-N 3Å; T271-N273 VanDerWaalsContact O-N 3.1Å
272T36.2Very low37.2Very low132 Ų132113.8 Ų113.881%0.8165%0.647SS**  trans-60100.9178.149.40000111.2S274T272-S274 PolarHBondContact O-N 2.93Å; T272-S274 VanDerWaalsContact O-N 3.16Å
273N36.3Very low38.3Very low87 Ų87113.5 Ų113.547%0.46564%0.635SS.*  trans-80.424.7-177-84.3-27000114.6T271 N275 L281T271-N273 PolarHBondContact O-N 3Å; T271-N273 VanDerWaalsContact O-N 3.1Å; N273-N275 VanDerWaalsContact C-N 3.28Å; N273-N275 PolarHBondContact O-N 3.33Å; N273-L281 HydrophobicContact CB-CD2 4.15Å
274S45.9Very low39.3Very low98 Ų98108.5 Ų108.569%0.68561%0.609SS**THydrogen-bonded Turntrans-71.1-14.6-168.554.90000115.4T272T272-S274 PolarHBondContact O-N 2.93Å; T272-S274 VanDerWaalsContact O-N 3.16Å
275N46.9Very low40.1Very low136 Ų136105.3 Ų105.373%0.72760%0.596SS**THydrogen-bonded Turntrans-106.417.2-171.7-61.9-5.2000114N273N273-N275 VanDerWaalsContact C-N 3.28Å; N273-N275 PolarHBondContact O-N 3.33Å
276L52.6Low40.8Very low38 Ų38100.7 Ų100.720%0.19958%0.581CS.*SBendtrans-97.9139.7179-73176.9000112.4M280 L281 L284L276-M280 HydrophobicContact CB-CB 4.48Å; L276-M280 HydrophobicContact CD1-CE 4.1Å; L276-M280 HydrophobicContact CD2-CE 3.44Å; L276-M280 VanDerWaalsContact CD2-CE 3.44Å; L276-M280 HydrophobicContact CD2-SD 4.12Å; L276-M280 HydrophobicContact CG-CE 4.34Å; L276-L281 HydrophobicContact CB-CG 4.11Å; L276-L281 WeakPolarHBondContact O-CD1 3.23Å; L276-L284 HydrophobicContact CD1-CD1 3.74Å
277P51.2Low42Very low49 Ų49101.3 Ų101.332%0.31857%0.572SS.*  trans-56.2144.4174.4-23.931.7000111.9R279 M280 L281P277-R279 PolarHBondContact O-N 2.95Å; P277-M280 PolarHBondContact O-N 3.2Å; P277-L281 PolarHBondContact O-N 3.28Å; P277-L281 VanDerWaalsContact O-N 3.17Å
278P48.2Very low42.5Very low82 Ų8298 Ų9853%0.53257%0.565SS.*Hα-helixtrans-54.4-26.9-175-2933.7000115.3R282P278-R282 WeakPolarHBondContact O-CB 3.38Å; P278-R282 WeakPolarHBondContact O-CG 3.36Å; P278-R282 PolarHBondContact O-N 3.02Å
279R48.6Very low43.3Very low180 Ų18097.7 Ų97.768%0.67955%0.554SS**Hα-helixtrans-74.9-33.2178.1-161.6179.3-176.3179.50112.3P277 K283P277-R279 PolarHBondContact O-N 2.95Å; R279-K283 WeakPolarHBondContact O-CB 3.41Å; R279-K283 PolarHBondContact O-N 3.32Å
280M50.6Low43.6Very low50 Ų5094 Ų9425%0.24655%0.55CS..Hα-helixtrans-72-46.2172-93.1-178.767.600110.4L276 P277 R282 K283 L284L276-M280 HydrophobicContact CB-CB 4.48Å; L276-M280 HydrophobicContact CD1-CE 4.1Å; L276-M280 HydrophobicContact CD2-CE 3.44Å; L276-M280 VanDerWaalsContact CD2-CE 3.44Å; L276-M280 HydrophobicContact CD2-SD 4.12Å; L276-M280 HydrophobicContact CG-CE 4.34Å; P277-M280 PolarHBondContact O-N 3.2Å; M280-R282 VanDerWaalsContact C-N 3.31Å; M280-R282 PolarHBondContact O-N 3.05Å; M280-K283 PolarHBondContact O-N 3.04Å; M280-L284 WeakPolarHBondContact O-CB 3.32Å; M280-L284 VanDerWaalsContact O-CG 3.24Å; M280-L284 WeakPolarHBondContact O-CG 3.22Å; M280-L284 PolarHBondContact O-N 3.26Å
281L56.7Low43.8Very low67 Ų6795.3 Ų95.335%0.35155%0.547SS..Hα-helixtrans-54.9-45.4173.1-83.5164.4000112.2N273 L276 P277 L284 A285N273-L281 HydrophobicContact CB-CD2 4.15Å; L276-L281 HydrophobicContact CB-CG 4.11Å; L276-L281 WeakPolarHBondContact O-CD1 3.23Å; P277-L281 PolarHBondContact O-N 3.28Å; P277-L281 VanDerWaalsContact O-N 3.17Å; L281-L284 WeakPolarHBondContact O-CB 3.31Å; L281-L284 PolarHBondContact O-N 3.23Å; L281-A285 WeakPolarHBondContact O-CB 3.47Å; L281-A285 PolarHBondContact O-N 2.91Å
282R50.5Low43.5Very low188 Ų18895.4 Ų95.471%0.70955%0.552SS**Hα-helixtrans-65.2-38.4175-82.3-176.4-127.9-173.1-1.3113.1P278 M280 L284 A285 A286P278-R282 WeakPolarHBondContact O-CB 3.38Å; P278-R282 WeakPolarHBondContact O-CG 3.36Å; P278-R282 PolarHBondContact O-N 3.02Å; M280-R282 VanDerWaalsContact C-N 3.31Å; M280-R282 PolarHBondContact O-N 3.05Å; R282-L284 VanDerWaalsContact C-N 3.32Å; R282-A285 PolarHBondContact O-N 2.89Å; R282-A286 WeakPolarHBondContact O-CB 3.21Å; R282-A286 PolarHBondContact O-N 3.47Å
283K48Very low43Very low130 Ų13098 Ų9857%0.56556%0.555SS**Hα-helixtrans-64.9-39.6176.3-162.1-178.2179.5-166.50110.9R279 M280 A286 E287R279-K283 WeakPolarHBondContact O-CB 3.41Å; R279-K283 PolarHBondContact O-N 3.32Å; M280-K283 PolarHBondContact O-N 3.04Å; K283-A286 PolarHBondContact O-N 3.07Å; K283-E287 PolarHBondContact O-N 3.43Å
284L49.8Very low42.4Very low44 Ų4499.2 Ų99.223%0.2357%0.565CS.*Hα-helixtrans-65.6-44.5174.6-69.5170.3000112.2L276 M280 L281 R282 A286 E287 A288 P768L276-L284 HydrophobicContact CD1-CD1 3.74Å; M280-L284 WeakPolarHBondContact O-CB 3.32Å; M280-L284 VanDerWaalsContact O-CG 3.24Å; M280-L284 WeakPolarHBondContact O-CG 3.22Å; M280-L284 PolarHBondContact O-N 3.26Å; L281-L284 WeakPolarHBondContact O-CB 3.31Å; L281-L284 PolarHBondContact O-N 3.23Å; R282-L284 VanDerWaalsContact C-N 3.32Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 2.86Å; L284-E287 PolarHBondContact O-N 3.37Å; L284-A288 WeakPolarHBondContact O-CB 3.39Å; L284-A288 PolarHBondContact O-N 2.85Å; L284-P768 HydrophobicContact CD2-CG 3.75Å
285A42.8Very low41.4Very low62 Ų62101.5 Ų101.551%0.51257%0.57SS.*Hα-helixtrans-63.9-37.3176.200000111.9L281 R282 A289L281-A285 WeakPolarHBondContact O-CB 3.47Å; L281-A285 PolarHBondContact O-N 2.91Å; R282-A285 PolarHBondContact O-N 2.89Å; A285-A289 WeakPolarHBondContact O-CB 3.44Å; A285-A289 PolarHBondContact O-N 2.97Å
286A40.2Very low40.1Very low68 Ų68100.2 Ų100.256%0.56257%0.571SS**Hα-helixtrans-68.6-38176.200000112.6R282 K283 L284R282-A286 WeakPolarHBondContact O-CB 3.21Å; R282-A286 PolarHBondContact O-N 3.47Å; K283-A286 PolarHBondContact O-N 3.07Å; L284-A286 VanDerWaalsContact C-N 3.31Å; L284-A286 PolarHBondContact O-N 2.86Å
287E46.8Very low38.7Very low122 Ų122104.7 Ų104.757%0.5760%0.601SS**Hα-helixtrans-69.2-39.7174-87.1175.516800112.1K283 L284 A289 G290K283-E287 PolarHBondContact O-N 3.43Å; L284-E287 PolarHBondContact O-N 3.37Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 2.93Å; E287-G290 PolarHBondContact O-N 3.03Å
288A39.5Very low37.2Very low77 Ų77107.4 Ų107.464%0.63662%0.621SS**Hα-helixtrans-66.9-33.7176.400000112.8L284 G290L284-A288 WeakPolarHBondContact O-CB 3.39Å; L284-A288 PolarHBondContact O-N 2.85Å; A288-G290 PolarHBondContact O-N 3.45Å
289A38.7Very low36Very low79 Ų79111.2 Ų111.265%0.65364%0.637SS**THydrogen-bonded Turntrans-73.3-8.717800000114A285 E287 N291A285-A289 WeakPolarHBondContact O-CB 3.44Å; A285-A289 PolarHBondContact O-N 2.97Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 2.93Å; A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 3.18Å
290G31.9Very low34.7Very low58 Ų58108.7 Ų108.760%0.59864%0.641SS**THydrogen-bonded Turntrans-70.9-11.718000000115.5E287 A288E287-G290 PolarHBondContact O-N 3.03Å; A288-G290 PolarHBondContact O-N 3.45Å
291N28.6Very low33.4Very low154 Ų154115 Ų11582%0.82467%0.667SS**  trans-115.678.8-174.1-74.84.2000111.7A289A289-N291 VanDerWaalsContact C-N 3.25Å; A289-N291 PolarHBondContact O-N 3.18Å
292S23.5Very low31.8Very low103 Ų103117.9 Ų117.972%0.7268%0.683SS**  trans-127.889.4164.9-161.60000109.2
293Q26.2Very low30.3Very low187 Ų187117.5 Ų117.587%0.87469%0.689SS**  trans-108.3104159.4-78-139.2-36.600108.9N295Q293-N295 PolarHBondContact O-N 3.47Å
294V23.8Very low29.3Very low111 Ų111117.7 Ų117.767%0.67370%0.701SS**  trans-59.9117.1164.6-178.90000108.1
295N23.4Very low27.9Very low147 Ų147124.4 Ų124.479%0.78673%0.729SS**  trans-135.885.5157.6-93.4-22.2000108.4Q293 T297Q293-N295 PolarHBondContact O-N 3.47Å; N295-T297 PolarHBondContact O-N 3.05Å
296S19.8Very low27Very low109 Ų109130.5 Ų130.576%0.76275%0.747SS**  trans-73107.5163.5-590000108.6
297T22.9Very low26.2Very low132 Ų132133.3 Ų133.381%0.8176%0.759SS**  trans-137.298.815434.30000108.7N295N295-T297 PolarHBondContact O-N 3.05Å
298S21.5Very low25.1Very low106 Ų106131.7 Ų131.774%0.74177%0.766SS**  trans-61.8126.7161.850.30000109.5
299N22.1Very low24.3Very low162 Ų162135.2 Ų135.287%0.86678%0.775SS**  trans-141.7105.4152-95.8-20.9000108.4
300V20.3Very low23.5Very low127 Ų127136.5 Ų136.577%0.7778%0.779SS**  trans-76.1120.1168.9172.20000107
301F23.4Very low23.1Very low183 Ų183142.2 Ų142.280%0.80379%0.79SS**  trans-151110.5157-110.6-79.6000111.6
302N23.6Very low22.8Very low127 Ų127141.2 Ų141.268%0.67979%0.789SS**  trans45.3113145.4-66.4-8.4000121.2
303E20.2Very low22.8Very low179 Ų179143.5 Ų143.584%0.83679%0.788SS**  trans-42.4136.2146.2-61.7179132.400112.4
304T26.4Very low22.5Very low134 Ų134139.3 Ų139.382%0.82278%0.78SS**  trans-142.5104.7149.9-38.70000108.4
305K21.4Very low22.5Very low186 Ų186142.8 Ų142.881%0.80979%0.786SS**  trans-65.9129166.6-76.1173.3174.3172.50109
306Q23Very low22.4Very low190 Ų190144.5 Ų144.589%0.88879%0.789SS**  trans-155.1117.7147.3-112.7-18014.300110.3
307P22.6Very low22.7Very low126 Ų126144.1 Ų144.182%0.81879%0.793SS**  trans-96.9131.8168.633.5-24.8000109.9
308A23.5Very low22.6Very low88 Ų88147.6 Ų147.673%0.72780%0.797SS**  trans-150.3116.4167.700000111.8
309N23.6Very low22.7Very low151 Ų151147.5 Ų147.581%0.80780%0.796SS**  trans66.6108.8138.7-59.7-16.7000120.8
310S22.2Very low22.8Very low106 Ų106145.4 Ų145.474%0.74179%0.789SS**  trans-34.5129.6143.350.30000115.2
311E23.1Very low23Very low178 Ų178145.9 Ų145.983%0.83279%0.787SS**  trans-132.2114.3149.9-77.6-170.7156.100109.4
312V21.9Very low23.2Very low134 Ų134145.4 Ų145.481%0.81279%0.793SS**  trans-93.4114167.7173.50000105.8
313Q24.6Very low23.2Very low150 Ų150146.2 Ų146.270%0.70180%0.796SS**  trans-12598.7164.5-84.2-174.14.400109.7F315Q313-F315 HydrophobicContact CB-CE2 4.48Å
314S19.6Very low23.4Very low100 Ų100144.5 Ų144.570%0.69980%0.798SS**  trans-73.7117.6161.1540000109.5
315F23.1Very low23.2Very low183 Ų183142.9 Ų142.980%0.80379%0.792SS**  trans-103.3106.4164.5-89.9-83.3000109.7Q313Q313-F315 HydrophobicContact CB-CE2 4.48Å
316H20.9Very low23.3Very low184 Ų184142.1 Ų142.185%0.85280%0.795SS**  trans-79.1123.4159.7-95.3-82.1000108.6
317A27.2Very low23.3Very low100 Ų100137.4 Ų137.483%0.82678%0.783SS**  trans-132.5114.5161.900000109.3
318K21Very low23.5Very low206 Ų206141 Ų14190%0.89679%0.786SS**  trans-77.6136.4167.2-69.2170.6172.1177.50108.7
319S23.5Very low23.5Very low104 Ų104142.7 Ų142.773%0.72779%0.787SS**  trans-170.6103.3145.9-1640000109.6
320T24.3Very low23.5Very low118 Ų118140.9 Ų140.972%0.72479%0.786SS**  70.5102.9101.2-5.70000115.5
321D24.2Very low23.7Very low137 Ų137141.6 Ų141.673%0.73379%0.788SS**  trans22.9120.6139.9-55.2-26.1000119.6
322N26.6Very low23.7Very low173 Ų173138.8 Ų138.893%0.92579%0.788SS**  trans-139.2124.8138.5-95.7-33.3000110.6
323I24.3Very low23.7Very low143 Ų143138.3 Ų138.373%0.73379%0.79SS**  trans-85.1126.8-176.8-66.8161.6000108.8
324T24.1Very low23.6Very low144 Ų144136.6 Ų136.688%0.88379%0.79SS**  trans-150.490.11442.70000109.7
325S22Very low23.7Very low100 Ų100137 Ų13770%0.69979%0.788SS**  trans-78.3121.1166.251.50000110.2
326I23.8Very low23.7Very low169 Ų169133.8 Ų133.887%0.86779%0.788SS**  trans-121.1102.6150.9-65.1179.3000107.3
327S22.8Very low23.6Very low92 Ų92134.1 Ų134.164%0.64379%0.787SS**  trans-74.7143.516753.30000111.6
328K26.3Very low23.5Very low201 Ų201136.8 Ų136.887%0.87479%0.786SS**  trans177.885.8141.9-97.8162.4-174.2-174.70107.3
329V25.2Very low23.5Very low124 Ų124135.5 Ų135.575%0.75278%0.783SS**  59.5100.398.7-175.80000112.9
330S21.8Very low23.5Very low113 Ų113138.6 Ų138.679%0.7979%0.791SS**  trans-57.3139.6153.648.40000112.1
331P28.1Very low23.5Very low121 Ų121139.2 Ų139.279%0.78679%0.788SS**  trans-129.2120145.131.8-16.9000110.6
332S22.5Very low23.3Very low119 Ų119140.4 Ų140.483%0.83279%0.789SS**  trans-70.5120.7156.449.30000109.1
333C21.8Very low23.2Very low124 Ų124141.6 Ų141.684%0.83879%0.789SS**  trans-156.4140.2148.5-144.10000111.7
334T22.9Very low23.2Very low114 Ų114140.3 Ų140.370%0.69979%0.788SS**  trans-54.8138.5-175.628.30000117
335T20.2Very low23.2Very low109 Ų109138.5 Ų138.567%0.66978%0.781SS**  trans39.7105.5137.3100000119.2F337T335-F337 HydrophobicContact CG2-CD2 4.34Å; T335-F337 HydrophobicContact CG2-CE2 3.89Å
336S23.9Very low23.3Very low114 Ų114139 Ų13980%0.79779%0.785SS**  trans-126.5107.1154.6-58.30000108.7I338S336-I338 PolarHBondContact O-N 3.09Å
337F19.4Very low23.5Very low191 Ų191135.8 Ų135.884%0.83878%0.777SS**  trans-67.8112.4170.7-75.3-96.6000109.6T335T335-F337 HydrophobicContact CG2-CD2 4.34Å; T335-F337 HydrophobicContact CG2-CE2 3.89Å
338I25.2Very low23.8Very low157 Ų157139.5 Ų139.581%0.80579%0.789SS**  trans-131.3114.7157.8-62.6-175.6000108.7S336 L340S336-I338 PolarHBondContact O-N 3.09Å; I338-L340 PolarHBondContact O-N 3.41Å
339H20.8Very low23.9Very low179 Ų179134.4 Ų134.483%0.82978%0.777SS**  trans-60115.7175-155.9-90.1000110
340L23.6Very low24.1Very low169 Ų169138.4 Ų138.489%0.88579%0.785SS**  trans-117.7133.1168.1-162.670.6000109.7I338I338-L340 PolarHBondContact O-N 3.41Å
341I23.2Very low24.5Very low130 Ų130141 Ų14167%0.66778%0.784SS**  trans-74.4127.6-162.5-71.2159.5000111.8
342E20.7Very low24.5Very low162 Ų162140.3 Ų140.376%0.75778%0.78SS**  33.396.5129.4-148.3168.7-158.200117.6V344E342-V344 HydrophobicContact CG-CG2 3.86Å
343Q24Very low24.9Very low198 Ų198138.8 Ų138.893%0.92578%0.775SS**  trans-112.991.7149.9-89.9-150.3-67.400108.7S345Q343-S345 PolarHBondContact O-N 2.84Å
344V25.1Very low25.6Very low116 Ų116142.7 Ų142.770%0.70377%0.773SS**  trans-84.3101165.6178.40000107E342 S346E342-V344 HydrophobicContact CG-CG2 3.86Å; V344-S346 PolarHBondContact O-N 2.94Å
345S23.5Very low25.9Very low107 Ų107143.5 Ų143.575%0.74877%0.772SS**  trans-8598.2168.21730000108.4Q343 S347Q343-S345 PolarHBondContact O-N 2.84Å; S345-S347 PolarHBondContact O-N 3.46Å
346S24.4Very low26.5Very low111 Ų111146.4 Ų146.478%0.77678%0.778SS**  trans-70.2118.2169.756.40000110.6V344V344-S346 PolarHBondContact O-N 2.94Å
347S27.1Very low26.8Very low100 Ų100150.1 Ų150.170%0.69978%0.78SS**  trans-140.893.9163.156.10000107.9S345 P349S345-S347 PolarHBondContact O-N 3.46Å; S347-P349 VanDerWaalsContact O-CD 3.25Å; S347-P349 WeakPolarHBondContact O-CD 3.32Å
348D29.7Very low27.3Very low170 Ų170150.2 Ų150.291%0.90978%0.783SS**  trans-94103.5165.5-103.5-30.8000107.8
349P29.2Very low27.4Very low94 Ų94154.7 Ų154.761%0.6179%0.79SS**  trans-84.6145.3166.533.2-27.5000108.7S347S347-P349 VanDerWaalsContact O-CD 3.25Å; S347-P349 WeakPolarHBondContact O-CD 3.32Å
350F29.9Very low27.6Very low209 Ų209154.2 Ų154.292%0.91779%0.793SS**  trans95.560.6179.1-56.5-77.9000117.2
351E30.3Very low27.6Very low167 Ų167151 Ų15178%0.7879%0.785SS**  trans-104.9124.8153.3-162.8178.1179.300110.2
352P27.3Very low27.7Very low107 Ų107150.5 Ų150.570%0.69579%0.787SS**  trans-77.1136.9-172.527.6-32.2000114Y354P352-Y354 VanDerWaalsContact C-N 3.28Å; P352-Y354 PolarHBondContact O-N 3.4Å
353A31.4Very low28Very low87 Ų87150.3 Ų150.372%0.71979%0.791SS**THydrogen-bonded Turntrans-7016.3-161.200000118.8
354Y35Very low27.9Very low205 Ų205144.8 Ų144.880%0.80479%0.788SS**THydrogen-bonded Turntrans-94.3-13.7-177.2138.6-103.8000114.2P352 Q356P352-Y354 VanDerWaalsContact C-N 3.28Å; P352-Y354 PolarHBondContact O-N 3.4Å; Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.13Å
355L30.4Very low27.9Very low131 Ų131143 Ų14369%0.68679%0.793SS**SBendtrans-83.65.5177.8-70.3174.8000115.2
356Q33.1Very low27.9Very low170 Ų170145.6 Ų145.679%0.79480%0.798SS**  trans-93.616.9-172.6-81-176.2-2200116.3Y354Y354-Q356 VanDerWaalsContact C-N 3.31Å; Y354-Q356 PolarHBondContact O-N 3.13Å
357K30.4Very low28Very low192 Ų192146.7 Ų146.784%0.83580%0.8SS**  trans-131.141.3-171.8-71.9-169.8178.7179.10116.8
358E29.3Very low28Very low194 Ų194148.4 Ų148.491%0.90781%0.806SS**  trans-146.778.3157.3-76-161.716600111.2
359R26.9Very low27.5Very low251 Ų251144.9 Ų144.995%0.94780%0.795SS**  trans-151.777.4160.2-122.4175.4-171.2163.63.4110.3
360L25.9Very low27.3Very low169 Ų169146.1 Ų146.189%0.88580%0.801SS**  trans-97.8110.3161.2-77.5167.1000108
361S23.1Very low27Very low102 Ų102144.6 Ų144.671%0.71380%0.796SS**  trans23133139.9-470000119.4
362V25.4Very low26.5Very low119 Ų119146.6 Ų146.672%0.72180%0.802SS**  161130.7111.8160.70000111.4
363N26.7Very low26.2Very low157 Ų157149 Ų14984%0.8481%0.809SS**  trans62.6124.7160.1-64.4-0.4000118.4
364G22.1Very low25.7Very low83 Ų83150.9 Ų150.986%0.85681%0.811SS**  cis114.693.63300000107.5
365G25.2Very low24.8Very low79 Ų79151.8 Ų151.881%0.81481%0.813SS**  trans-165.791.9-179.400000109.9
366D22.5Very low24.3Very low161 Ų161150.9 Ų150.986%0.86182%0.818SS**  trans-59.5148.1169.2-74.7-46.4000111.2
367V28Very low23.7Very low133 Ų133152.6 Ų152.681%0.80682%0.819SS**  trans165.4114.7131.5158.40000110.3
368V25.5Very low23.3Very low136 Ų136148.9 Ų148.982%0.82481%0.814SS**  trans69.7111.5144.3-177.50000120.4
369S20.2Very low22.9Very low96 Ų96149.3 Ų149.367%0.67181%0.813SS**  trans-59.4144.8163.4-172.90000114
370T24.4Very low22.6Very low120 Ų120143.4 Ų143.474%0.73681%0.808SS**  168.6133.7113.135.90000114
371Q23.4Very low22.6Very low178 Ų178141.1 Ų141.183%0.83280%0.801SS**  trans70.198.9143.1-69.6-177.9-19.800121.9
372K19.6Very low22.6Very low208 Ų208142 Ų14290%0.90480%0.804SS**  trans-49.1117.9153-131.6173-178.4179.10111.7
373L21.4Very low22.6Very low158 Ų158143.8 Ų143.883%0.82781%0.81SS**  trans-97.1112.5168.5-93.4150.1000109.4
374V20.6Very low22.3Very low127 Ų127143 Ų14377%0.7781%0.811SS**  trans-76.6125.1174.6173.30000108.9
375W17.4Very low22.5Very low223 Ų223143.5 Ų143.585%0.84581%0.807SS**  trans-74.8125.3176.5-77.236.9000110.1
376S19.6Very low22.3Very low112 Ų112147.4 Ų147.478%0.78381%0.808SS**  trans-116.4129.1173.446.50000109.2
377Y19.5Very low22.6Very low207 Ų207149 Ų14981%0.81281%0.809SS**  trans-86.3127.2179.2-79.1-89.7000110.7
378P23.6Very low22.2Very low114 Ų114145.9 Ų145.974%0.7480%0.804SS**  trans-87125174.331.6-28.5000111.1C380P378-C380 PolarHBondContact O-N 3.4Å
379K20.6Very low22.1Very low203 Ų203144.7 Ų144.788%0.88380%0.802SS**  trans-75.6112166.3-79.6175.3173.41750109.2
380C19.4Very low22.4Very low126 Ų126145.2 Ų145.285%0.85181%0.806SS**PPolyproline II helixtrans-86.8121.7169.8-80.20000110.4P378P378-C380 PolarHBondContact O-N 3.4Å
381V25.5Very low22.2Very low122 Ų122146.9 Ų146.974%0.73981%0.811SS**PPolyproline II helixtrans-94.5140.7173.7-179.80000108.8
382P25.1Very low22.4Very low119 Ų119144.4 Ų144.477%0.77381%0.81SS**PPolyproline II helixtrans-84.3118.1-1752.216.9000111T384P382-T384 PolarHBondContact O-N 2.93Å
383N23.8Very low22.5Very low158 Ų158140.5 Ų140.585%0.84580%0.804SS**  trans-80.6114.1172-82-21.3000110.5A385N383-A385 PolarHBondContact O-N 3.28Å
384T21.7Very low22.7Very low139 Ų139141.1 Ų141.185%0.85381%0.807SS**  trans-64.6117.4160.742.50000110.1P382P382-T384 PolarHBondContact O-N 2.93Å
385A25.2Very low22.8Very low95 Ų95140.4 Ų140.479%0.78581%0.805SS**  trans-129.9109.6166.300000109.5N383N383-A385 PolarHBondContact O-N 3.28Å
386I20.9Very low23.1Very low160 Ų160135.5 Ų135.582%0.82180%0.804SS**  trans-77.7119.6177.1-65.3162.6000107.6
387H28.6Very low23.2Very low194 Ų194138.2 Ų138.290%0.89880%0.802SS**  trans-136.7105.4157.7-98.4-73.8000108.6
388G20.4Very low23.4Very low68 Ų68134.3 Ų134.370%0.70180%0.802SS**  trans-88.8143.4164.100000110.3
389S23.3Very low23.5Very low112 Ų112135.7 Ų135.778%0.78380%0.799SS**  trans-168.5137.7137.565.40000111.6
390S26.1Very low23.6Very low107 Ų107131.2 Ų131.275%0.74879%0.793SS**  trans7096.8149.660.90000120
391N21.1Very low23.8Very low155 Ų155130.8 Ų130.883%0.82979%0.792SS**  trans-56.1142.3148-71.5-41.3000112.4
392P27.3Very low23.7Very low126 Ų126133.2 Ų133.282%0.81880%0.798SS**  trans-106.6116.3144.731.7-19.8000109.5
393T22.3Very low23.7Very low126 Ų126133 Ų13377%0.77380%0.8SS**  trans-77.7121.9173.7-39.30000109.4
394L24.6Very low23.7Very low170 Ų170136.7 Ų136.789%0.8980%0.802SS**  trans-158.4118.8154.3-116.2146.7000110.8
395P23.6Very low23.8Very low112 Ų112134.9 Ų134.973%0.72779%0.792SS**  trans-99.3138.517835.5-27.8000111.1
396S23.6Very low23.9Very low120 Ų120136.5 Ų136.584%0.83980%0.795SS**  trans-147103.3156.960.40000109.7
397K21.6Very low23.9Very low169 Ų169137.1 Ų137.174%0.73579%0.794SS**  trans-98.7135.1169.8-167.6-176.8-165.8-1760107.1Q399K397-Q399 HydrophobicContact CD-CG 4.1Å; K397-Q399 HydrophobicContact CG-CG 4.26Å
398P24.3Very low23.6Very low126 Ų126137.9 Ų137.982%0.81880%0.795SS**  trans-125.1138.4137.419.1-1.6000110.4
399Q23.7Very low23.7Very low143 Ų143141.3 Ų141.367%0.66880%0.796SS**  trans-87.3151.3-178.9-69.6179.4-71.200111.9K397K397-Q399 HydrophobicContact CD-CG 4.1Å; K397-Q399 HydrophobicContact CG-CG 4.26Å
400S22.8Very low23.7Very low109 Ų109143.5 Ų143.576%0.76280%0.799SS**  trans55.4114.7137.664.80000120
401S24.7Very low23.5Very low117 Ų117146.3 Ų146.382%0.81880%0.8SS**  -155.9116.5127.157.50000110.2
402I22.7Very low23.8Very low172 Ų172145 Ų14588%0.88280%0.801SS**  trans-77.6128.5169.4-72.4158.6000107.7
403S26.6Very low23.4Very low114 Ų114145.3 Ų145.380%0.79780%0.795SS**  trans-136.7122.2161.961.50000110.1
404R22.7Very low23.6Very low236 Ų236148.8 Ų148.889%0.89180%0.8SS**PPolyproline II helixtrans-68.8170-177-116.2-167.5170.2157.5-1.5113.2
405P24.6Very low23.8Very low101 Ų101145.7 Ų145.766%0.65679%0.79SS**PPolyproline II helixtrans-89.1162.2-160.836.5-34.9000114.4
406P26.1Very low23.7Very low129 Ų129147.8 Ų147.884%0.83880%0.795SS**PPolyproline II helixtrans-92124.3174.634.6-27.5000111.5
407H21.5Very low23.8Very low174 Ų174149.6 Ų149.681%0.80679%0.793SS**PPolyproline II helixtrans-91.2128.4150.6-87.7-86.3000106.9
408F22Very low23.8Very low210 Ų210150.7 Ų150.792%0.92180%0.801SS**  trans-168.1130138.2-96.6-66.4000111.2
409I22Very low23.7Very low139 Ų139147.9 Ų147.971%0.71379%0.789SS**  trans-43.3143171.9-68.5148.5000114.4
410N23.6Very low23.7Very low159 Ų159149.3 Ų149.385%0.8580%0.8SS**  trans-163.9113.9135.1-93.5-25.7000111.4
411Q22.4Very low23.6Very low165 Ų165147.5 Ų147.577%0.77179%0.792SS**  trans-75.2138.9162.8-83.9-179.6-20.200109.8
412P27.5Very low23.5Very low129 Ų129148.1 Ų148.184%0.83879%0.79SS**  trans-94.7115.9156.630.6-19.9000109.9
413N19.7Very low23.7Very low131 Ų131149.5 Ų149.570%0.70179%0.793SS**  trans-87.1148.4159.4-93.1-26.9000109.1
414F24.7Very low23.5Very low200 Ų200152.7 Ų152.788%0.87779%0.793SS**  trans145.6150.6145.9-86.9-63.1000113.5
415P30.4Very low23.5Very low105 Ų105147.3 Ų147.368%0.68279%0.788SS**  -128.7179.8-103.444.5-30.7000114.9
416D20.4Very low23.5Very low156 Ų156148.6 Ų148.683%0.83480%0.798SS**  trans-36.6129.1167.5-70.2-48.9000115.8
417I25.1Very low23.2Very low157 Ų157149.4 Ų149.481%0.80580%0.795SS**  trans-11698.9155.5-62.1179.7000107.3A419I417-A419 HydrophobicContact CG2-CB 4.2Å
418Q21.4Very low23.3Very low192 Ų192153 Ų15390%0.89780%0.802SS**  trans-72.3121.2155.2-77.6173.4-15.800108.4
419A24.1Very low23.3Very low68 Ų68151.7 Ų151.756%0.56280%0.796SS**  trans-155.7116.3165.700000110.1I417I417-A419 HydrophobicContact CG2-CB 4.2Å
420L22.4Very low23.5Very low172 Ų172151.5 Ų151.590%0.90180%0.801SS**  trans53145.7140.6-67.8131.6000118.7
421A21.7Very low23.5Very low72 Ų72150.9 Ų150.960%0.59580%0.798SS**  cis176.1136-13.600000103.3
422V21.8Very low23.4Very low129 Ų129152.4 Ų152.478%0.78281%0.805SS**  trans49.699.3141.7-171.90000116.9
423Q27.2Very low23.2Very low201 Ų201151.4 Ų151.494%0.93981%0.807SS**  trans-138.5132.5134.8-75.2-158.61.300112.2
424K22.4Very low23.2Very low182 Ų182156.5 Ų156.579%0.79182%0.817SS**  trans-49.1146.7-169.8-71.6160.9172.4174.20116.8
425P23.4Very low23.1Very low123 Ų123154.8 Ų154.880%0.79982%0.816SS**  trans-83.2125.6163.432.4-28.2000110.8N427P425-N427 PolarHBondContact O-N 2.9Å
426C23.3Very low22.7Very low128 Ų128154.6 Ų154.687%0.86582%0.817SS**  trans-85.2112.2172.4-71.20000110.3
427N20.5Very low22.8Very low145 Ų145156.2 Ų156.278%0.77582%0.819SS**  trans-50.8131.3164.3-75.2-59.4000112.3P425P425-N427 PolarHBondContact O-N 2.9Å
428R24.2Very low22.8Very low250 Ų250154.2 Ų154.294%0.94382%0.819SS**  trans-143.1109.7137.5-99.9-177.1-176.2157.81110.1
429K21.2Very low22.8Very low183 Ų183151.6 Ų151.680%0.79681%0.811SS**  trans-66.2136.4168.3-65.9167.8170178.90109.5
430V26.3Very low22.8Very low134 Ų134155.6 Ų155.681%0.81282%0.823SS**  trans-144.799.4142.5-177.80000108
431D23.4Very low22.8Very low147 Ų147156 Ų15679%0.78682%0.823SS**  trans42.397.6140.5-54.4-34.5000120.4A433D431-A433 PolarHBondContact O-N 2.89Å
432Q21.2Very low22.8Very low197 Ų197158.7 Ų158.792%0.92183%0.832SS**  trans-70106.3149-77.3173.2-23.200109.9R434Q432-R434 PolarHBondContact O-N 3.34Å
433A22.9Very low22.8Very low108 Ų108160.6 Ų160.689%0.89383%0.832SS**  trans-84.79815800000108.7D431D431-A433 PolarHBondContact O-N 2.89Å
434R18.3Very low22.6Very low237 Ų237156.6 Ų156.689%0.89482%0.823SS**  trans-81.6111.3172.6178.3-169.8-144.1-159.75.8108.8Q432Q432-R434 PolarHBondContact O-N 3.34Å
435L23.3Very low22.8Very low164 Ų164152.4 Ų152.486%0.85982%0.817SS**  trans-146.9130.9160.5-96.3166.6000112
436S22Very low22.8Very low102 Ų102153.7 Ų153.771%0.71382%0.817SS**  trans6387.6160.250.90000119.3S438S436-S438 PolarHBondContact O-N 3.49Å
437H21.9Very low22.9Very low189 Ų189153.5 Ų153.588%0.87581%0.807SS**  trans-68.6108.5140.6-73.230.6000108.3
438S25.5Very low23Very low115 Ų115154.8 Ų154.880%0.80481%0.813SS**  trans-92.111515946.30000108.4S436S436-S438 PolarHBondContact O-N 3.49Å
439N22.8Very low23.2Very low137 Ų137147 Ų14773%0.73380%0.802SS**  trans-64.4135.8175.4-74.2-38.8000111.2
440N22.3Very low23.5Very low152 Ų152144.8 Ų144.881%0.81380%0.795SS**  trans36.3106.9137.7-62.6-20.3000118.1
441M23.1Very low23.5Very low181 Ų181144.5 Ų144.589%0.89279%0.789SS**  trans-146.5119.2132.9-151.5156.471.300111.1Q443M441-Q443 PolarHBondContact O-N 3.32Å
442V22Very low23.9Very low129 Ų129144 Ų14478%0.78279%0.786SS**  trans-60.6121.3176.21720000109.8
443Q22Very low24.3Very low169 Ų169143.3 Ų143.379%0.7978%0.776SS**  trans-137.4119.6148.4-78.6-154.8-3.500109.1M441 S445M441-Q443 PolarHBondContact O-N 3.32Å; Q443-S445 PolarHBondContact O-N 3.03Å
444P23.1Very low25.1Very low116 Ų116143.7 Ų143.775%0.75376%0.764SS**  trans-79.895.8172.231.3-27.4000108
445S25.7Very low26.6Very low94 Ų94136 Ų13666%0.65774%0.743SS**  trans-78.9120.4169.529.90000109.8Q443 N447Q443-S445 PolarHBondContact O-N 3.03Å; S445-N447 PolarHBondContact O-N 2.96Å
446N23.2Very low28Very low150 Ų150131.1 Ų131.180%0.80273%0.727SS**  trans-60.591.5174.9-65.5-41.1000111.6
447N25.1Very low29.4Very low124 Ų124132.7 Ų132.766%0.66372%0.722SS**  trans-101.680.9169.8-73.4-7.7000109.8S445S445-N447 PolarHBondContact O-N 2.96Å
448L24.4Very low31.3Very low172 Ų172126 Ų12690%0.90170%0.7SS**  trans-92.320.5-178.6-117.3155.9000113.6
449A27.4Very low33.3Very low86 Ų86123.3 Ų123.371%0.71168%0.678SS**SBendtrans-131.1-3.2-172.300000117.2
450E27.7Very low35.6Very low138 Ų138120 Ų12065%0.64566%0.661SS**SBendtrans-101.9-3.2-173.8-73.3-176.5162.100115.8N452E450-N452 PolarHBondContact O-N 3.31Å
451N26.3Very low38.4Very low128 Ų128116.8 Ų116.868%0.68464%0.641SS**Hα-helixtrans-84-5-173.5-79.9-9.4000116.3T455N451-T455 PolarHBondContact O-OG1 2.9Å
452N30.8Very low41.2Very low137 Ų137109.6 Ų109.673%0.73361%0.606SS**Hα-helixtrans-83.5-32.2-177.2-1020.5000114.4E450 T455 A456E450-N452 PolarHBondContact O-N 3.31Å; N452-T455 PolarHBondContact O-N 2.89Å; N452-A456 PolarHBondContact O-N 2.67Å
453Y29.8Very low44.1Very low181 Ų181107.3 Ų107.371%0.7159%0.586SS**Hα-helixtrans-70.2-37.4-178.6-67.2-74.7000112.7T455 A456 H457Y453-T455 VanDerWaalsContact C-N 3.32Å; Y453-T455 PolarHBondContact O-N 3.39Å; Y453-A456 PolarHBondContact O-N 3.4Å; Y453-H457 PolarHBondContact O-N 3.11Å
454N40.5Very low47Very low117 Ų117104 Ų10463%0.62657%0.569SS**Hα-helixtrans-65.8-37.1177.7-67.3-26.2000111.8A458N454-A458 WeakPolarHBondContact O-CB 3.19Å; N454-A458 PolarHBondContact O-N 2.84Å
455T48.7Very low49.8Very low74 Ų7499.5 Ų99.545%0.45454%0.538SS..Hα-helixtrans-71.7-39.5-178.9-40.50000111.5N451 N452 Y453 A458 V459N451-T455 PolarHBondContact O-OG1 2.9Å; N452-T455 PolarHBondContact O-N 2.89Å; Y453-T455 VanDerWaalsContact C-N 3.32Å; Y453-T455 PolarHBondContact O-N 3.39Å; T455-A458 PolarHBondContact O-N 2.99Å; T455-V459 WeakPolarHBondContact O-CG2 3.44Å; T455-V459 PolarHBondContact O-N 2.62Å
456A52.9Low52.6Low63 Ų6395 Ų9552%0.52151%0.506SS..Hα-helixtrans-62.8-44.8176.300000112.3N452 Y453 V459 D460N452-A456 PolarHBondContact O-N 2.67Å; Y453-A456 PolarHBondContact O-N 3.4Å; A456-V459 PolarHBondContact O-N 3.11Å; A456-D460 PolarHBondContact O-N 3.32Å; A456-D460 VanDerWaalsContact O-N 3.1Å
457H53.2Low55.4Low134 Ų13490.8 Ų90.862%0.6248%0.483SS*.Hα-helixtrans-64-42175.9-91.4-68.3000112.5Y453 V459 D460 E461Y453-H457 PolarHBondContact O-N 3.11Å; H457-V459 VanDerWaalsContact C-N 3.33Å; H457-V459 PolarHBondContact O-N 3.28Å; H457-D460 PolarHBondContact O-N 3.03Å; H457-E461 WeakPolarHBondContact O-CG 3.46Å; H457-E461 PolarHBondContact O-N 3.49Å
458A59.8Low58.1Low49 Ų4991.4 Ų91.441%0.40548%0.477SS..Hα-helixtrans-63.1-3917700000112.5N454 T455 E461 N462N454-A458 WeakPolarHBondContact O-CB 3.19Å; N454-A458 PolarHBondContact O-N 2.84Å; T455-A458 PolarHBondContact O-N 2.99Å; A458-E461 PolarHBondContact O-N 3.46Å; A458-N462 WeakPolarHBondContact O-CB 3.46Å; A458-N462 PolarHBondContact O-N 2.9Å; A458-N462 PolarHBondContact O-OD1 3.46Å
459V67.5Low60.8Low58 Ų5883.4 Ų83.435%0.35244%0.435SS..Hα-helixtrans-65.5-40.9176.71720000111.6T455 A456 H457 N462 K463T455-V459 WeakPolarHBondContact O-CG2 3.44Å; T455-V459 PolarHBondContact O-N 2.62Å; A456-V459 PolarHBondContact O-N 3.11Å; H457-V459 VanDerWaalsContact C-N 3.33Å; H457-V459 PolarHBondContact O-N 3.28Å; V459-N462 PolarHBondContact O-N 2.99Å; V459-K463 WeakPolarHBondContact O-CB 3.36Å; V459-K463 PolarHBondContact O-N 3.36Å
460D71.9Confident63.3Low69 Ų6979.4 Ų79.437%0.36940%0.401SS..Hα-helixtrans-66.9-40178-170.242.5000112.2A456 H457 K463 K464A456-D460 PolarHBondContact O-N 3.32Å; A456-D460 VanDerWaalsContact O-N 3.1Å; H457-D460 PolarHBondContact O-N 3.03Å; D460-K463 WeakPolarHBondContact O-CB 3.48Å; D460-K463 PolarHBondContact O-N 3.05Å; D460-K464 WeakPolarHBondContact O-CG 3.34Å; D460-K464 PolarHBondContact O-N 3.18Å; D460-K464 WeakPolarHBondContact OD2-CE 3.32Å; D460-K464 IonicContact OD2-NZ 2.76Å; D460-K464 PolarHBondContact OD2-NZ 3.11Å
461E80.6Confident65.8Low84 Ų8475.6 Ų75.639%0.39339%0.387SS..Hα-helixtrans-66.3-43.7174.2-68.8-5711800112H457 A458 K463 K464 I465H457-E461 WeakPolarHBondContact O-CG 3.46Å; H457-E461 PolarHBondContact O-N 3.49Å; A458-E461 PolarHBondContact O-N 3.46Å; E461-K463 PolarHBondContact O-N 3.37Å; E461-K464 PolarHBondContact O-N 2.83Å; E461-K464 VanDerWaalsContact O-N 3.15Å; E461-K464 IonicContact OE1-NZ 2.76Å; E461-K464 PolarHBondContact OE1-NZ 3.39Å; E461-I465 WeakPolarHBondContact O-CG1 3.26Å; E461-I465 PolarHBondContact O-N 2.73Å
462N82.6Confident68.1Low29 Ų2970.3 Ų70.316%0.15536%0.359CS..Hα-helixtrans-59-38.4174.4-73.1-9.7000111.6A458 V459 A466 V498A458-N462 WeakPolarHBondContact O-CB 3.46Å; A458-N462 PolarHBondContact O-N 2.9Å; A458-N462 PolarHBondContact O-OD1 3.46Å; V459-N462 PolarHBondContact O-N 2.99Å; N462-A466 VanDerWaalsContact O-CB 3.24Å; N462-A466 WeakPolarHBondContact O-CB 3.41Å; N462-A466 PolarHBondContact O-N 3.05Å; N462-V498 HydrophobicContact CB-CG2 4.07Å
463K83.5Confident70.1Confident82 Ų8264 Ų6436%0.35733%0.325SS..Hα-helixtrans-63.5-45.3174.4174.4173178.11710112.1V459 D460 E461 I465 A466 L467 V501 H505V459-K463 WeakPolarHBondContact O-CB 3.36Å; V459-K463 PolarHBondContact O-N 3.36Å; D460-K463 WeakPolarHBondContact O-CB 3.48Å; D460-K463 PolarHBondContact O-N 3.05Å; E461-K463 PolarHBondContact O-N 3.37Å; K463-I465 PolarHBondContact O-N 3.29Å; K463-A466 PolarHBondContact O-N 3.16Å; K463-L467 HydrophobicContact CG-CD1 4.02Å; K463-L467 HydrophobicContact CG-CG 4.45Å; K463-L467 WeakPolarHBondContact O-CG 3.23Å; K463-L467 PolarHBondContact O-N 3.12Å; K463-V501 HydrophobicContact CB-CG1 4.41Å; K463-H505 VanDerWaalsContact CE-NE2 3.28Å; K463-H505 WeakPolarHBondContact CE-NE2 3.27Å
464K83Confident72.2Confident100 Ų10056.2 Ų56.244%0.43530%0.301SS..Hα-helixtrans-61.3-44.8178.3-71.2168.9-166155.70111.8D460 E461 L467 R468D460-K464 WeakPolarHBondContact O-CG 3.34Å; D460-K464 PolarHBondContact O-N 3.18Å; D460-K464 WeakPolarHBondContact OD2-CE 3.32Å; D460-K464 IonicContact OD2-NZ 2.76Å; D460-K464 PolarHBondContact OD2-NZ 3.11Å; E461-K464 PolarHBondContact O-N 2.83Å; E461-K464 VanDerWaalsContact O-N 3.15Å; E461-K464 IonicContact OE1-NZ 2.76Å; E461-K464 PolarHBondContact OE1-NZ 3.39Å; K464-L467 PolarHBondContact O-N 3.49Å; K464-R468 WeakPolarHBondContact O-CB 3.4Å; K464-R468 PolarHBondContact O-N 3.39Å
465I80.9Confident73.6Confident20 Ų2055.9 Ų55.910%0.10330%0.299CS..Hα-helixtrans-64.5-43.9177.9-60.7166.1000110.3E461 K463 R468 L469 R493 I494 V498E461-I465 WeakPolarHBondContact O-CG1 3.26Å; E461-I465 PolarHBondContact O-N 2.73Å; K463-I465 PolarHBondContact O-N 3.29Å; I465-R468 PolarHBondContact O-N 2.9Å; I465-L469 WeakPolarHBondContact O-CB 3.44Å; I465-L469 PolarHBondContact O-N 3.39Å; I465-R493 HydrophobicContact CD1-CB 4.09Å; I465-I494 HydrophobicContact CG2-CG1 4.2Å; I465-V498 HydrophobicContact CB-CG1 4.07Å; I465-V498 HydrophobicContact CG2-CG1 3.73Å
466A84.9Confident74.2Confident0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-60.4-47.9177.400000112.6N462 K463 R468 L469 L470 V498 V501 A502N462-A466 VanDerWaalsContact O-CB 3.24Å; N462-A466 WeakPolarHBondContact O-CB 3.41Å; N462-A466 PolarHBondContact O-N 3.05Å; K463-A466 PolarHBondContact O-N 3.16Å; A466-R468 VanDerWaalsContact C-N 3.34Å; A466-R468 PolarHBondContact O-N 3.19Å; A466-L469 PolarHBondContact O-N 3.41Å; A466-L470 WeakPolarHBondContact O-CG 3.38Å; A466-L470 PolarHBondContact O-N 2.9Å; A466-V498 HydrophobicContact CB-CG1 4.22Å; A466-V501 HydrophobicContact CB-CB 4.34Å; A466-V501 HydrophobicContact CB-CG1 3.99Å; A466-A502 HydrophobicContact CB-CB 3.86Å
467L82Confident74.9Confident61 Ų6158.8 Ų58.832%0.31929%0.292SS..Hα-helixtrans-64.8-38177.9-72.7174.7000112.2K463 K464 L470 T471 H505K463-L467 HydrophobicContact CG-CD1 4.02Å; K463-L467 HydrophobicContact CG-CG 4.45Å; K463-L467 WeakPolarHBondContact O-CG 3.23Å; K463-L467 PolarHBondContact O-N 3.12Å; K464-L467 PolarHBondContact O-N 3.49Å; L467-L470 PolarHBondContact O-N 3.06Å; L467-T471 WeakPolarHBondContact O-CB 3.21Å; L467-T471 PolarHBondContact O-N 3.17Å; L467-T471 PolarHBondContact O-OG1 3.43Å; L467-H505 HydrophobicContact CD2-CB 4.2Å
468R81.7Confident75.3Confident138 Ų13857.7 Ų57.752%0.52129%0.29SS..Hα-helixtrans-63.3-44.7175.1-175.257.3176.1169.52.8111.5K464 I465 A466 T471 L472K464-R468 WeakPolarHBondContact O-CB 3.4Å; K464-R468 PolarHBondContact O-N 3.39Å; I465-R468 PolarHBondContact O-N 2.9Å; A466-R468 VanDerWaalsContact C-N 3.34Å; A466-R468 PolarHBondContact O-N 3.19Å; R468-T471 PolarHBondContact O-N 3.27Å; R468-L472 HydrophobicContact CG-CD1 4.31Å; R468-L472 WeakPolarHBondContact O-CG 3.48Å; R468-L472 PolarHBondContact O-N 2.85Å
469L80.5Confident75.4Confident4 Ų456.7 Ų56.72%0.02128%0.278CS..Hα-helixtrans-59.5-48.2175.5176143000111.5I465 A466 T471 L472 L473 I494 L499 A502 F534I465-L469 WeakPolarHBondContact O-CB 3.44Å; I465-L469 PolarHBondContact O-N 3.39Å; A466-L469 PolarHBondContact O-N 3.41Å; L469-T471 PolarHBondContact O-N 2.94Å; L469-L472 PolarHBondContact O-N 2.76Å; L469-L473 HydrophobicContact CD2-CD1 3.3Å; L469-L473 HydrophobicContact CG-CD1 3.75Å; L469-L473 WeakPolarHBondContact O-CD1 3.36Å; L469-L473 WeakPolarHBondContact O-CG 3.47Å; L469-L473 PolarHBondContact O-N 2.77Å; L469-I494 HydrophobicContact CD1-CD1 3.61Å; L469-I494 HydrophobicContact CD1-CG1 4.2Å; L469-I494 HydrophobicContact CD1-CG2 4.41Å; L469-L499 HydrophobicContact CD1-CD2 4.39Å; L469-A502 HydrophobicContact CD2-CB 4.37Å; L469-F534 HydrophobicContact CD1-CD2 4.3Å; L469-F534 HydrophobicContact CD1-CE2 4.16Å
470L80.6Confident75.3Confident2 Ų260.5 Ų60.51%0.0130%0.295CS..Hα-helixtrans-63.9-38.2178.7-69.8171.1000112.9A466 L467 L473 G474 A502 H505 L513 L515A466-L470 WeakPolarHBondContact O-CG 3.38Å; A466-L470 PolarHBondContact O-N 2.9Å; L467-L470 PolarHBondContact O-N 3.06Å; L470-L473 PolarHBondContact O-N 2.76Å; L470-G474 PolarHBondContact O-N 2.94Å; L470-A502 HydrophobicContact CD1-CB 4.21Å; L470-A502 WeakPolarHBondContact CD1-O 3.22Å; L470-A502 HydrophobicContact CD2-CB 4.32Å; L470-A502 HydrophobicContact CG-CB 4.16Å; L470-H505 HydrophobicContact CD1-CB 3.95Å; L470-L513 HydrophobicContact CB-CD1 4.17Å; L470-L513 HydrophobicContact CB-CD2 4.33Å; L470-L513 HydrophobicContact CD1-CD1 3.83Å; L470-L515 HydrophobicContact CD2-CD2 3.97Å
471T79.9Confident74.8Confident57 Ų5760.9 Ų60.935%0.3530%0.297SS..Hα-helixtrans-63.9-45.1177.1-52.60000110.4L467 R468 L469 G474 D475L467-T471 WeakPolarHBondContact O-CB 3.21Å; L467-T471 PolarHBondContact O-N 3.17Å; L467-T471 PolarHBondContact O-OG1 3.43Å; R468-T471 PolarHBondContact O-N 3.27Å; L469-T471 PolarHBondContact O-N 2.94Å; T471-G474 PolarHBondContact O-N 3.3Å; T471-D475 PolarHBondContact O-N 3.07Å; T471-D475 VanDerWaalsContact O-N 3.07Å
472L74.3Confident73.9Confident17 Ų1756.9 Ų56.99%0.08928%0.278CS..Hα-helixtrans-64.8-39.5177.4-69.6172.3000112.5R468 L469 D475 S476 V482 Q485 L486R468-L472 HydrophobicContact CG-CD1 4.31Å; R468-L472 WeakPolarHBondContact O-CG 3.48Å; R468-L472 PolarHBondContact O-N 2.85Å; L469-L472 PolarHBondContact O-N 2.76Å; L472-D475 PolarHBondContact O-N 3.27Å; L472-S476 PolarHBondContact O-N 2.98Å; L472-S476 PolarHBondContact O-OG 3.44Å; L472-V482 HydrophobicContact CB-CG1 3.99Å; L472-V482 HydrophobicContact CB-CG2 4.31Å; L472-Q485 HydrophobicContact CD1-CB 4.43Å; L472-Q485 HydrophobicContact CD2-CB 4.15Å; L472-L486 HydrophobicContact CD1-CD1 4.48Å; L472-L486 HydrophobicContact CD1-CG 3.98Å
473L73.7Confident72.9Confident4 Ų459.4 Ų59.42%0.02129%0.287CS..Hα-helixtrans-67.6-34.4175.2-76154.5000112.7L469 L470 S476 L479 V482 L515 I526L469-L473 HydrophobicContact CD2-CD1 3.3Å; L469-L473 HydrophobicContact CG-CD1 3.75Å; L469-L473 WeakPolarHBondContact O-CD1 3.36Å; L469-L473 WeakPolarHBondContact O-CG 3.47Å; L469-L473 PolarHBondContact O-N 2.77Å; L470-L473 PolarHBondContact O-N 2.76Å; L473-S476 CarbonylContact C-O 3.46Å; L473-S476 CarbonylContact O-C 3.37Å; L473-S476 VanDerWaalsContact O-O 3.1Å; L473-L479 HydrophobicContact CD2-CD1 4.24Å; L473-V482 HydrophobicContact CD2-CG2 4.26Å; L473-V482 HydrophobicContact CG-CG1 4.39Å; L473-V482 HydrophobicContact CG-CG2 4.34Å; L473-L515 HydrophobicContact CB-CD2 3.97Å; L473-I526 HydrophobicContact CD2-CG2 3.75Å
474G74.2Confident71.9Confident19 Ų1961.7 Ų61.720%0.19630%0.303CS..Hα-helixtrans-70.3-33.217600000113.3L470 T471L470-G474 PolarHBondContact O-N 2.94Å; T471-G474 PolarHBondContact O-N 3.3Å
475D69.4Low70.9Confident109 Ų10962.1 Ų62.158%0.58331%0.307SS*.Hα-helixtrans-86.8-32.4178.4-70.4-30.2000113T471 L472 K514T471-D475 PolarHBondContact O-N 3.07Å; T471-D475 VanDerWaalsContact O-N 3.07Å; L472-D475 PolarHBondContact O-N 3.27Å; D475-K514 IonicContact OD1-NZ 3.06Å; D475-K514 PolarHBondContact OD1-NZ 2.9Å
476S61.7Low69.9Low23 Ų2361.7 Ų61.716%0.16131%0.305CS..  trans-127.9106.5174.453.10000110L472 L473 D478 V482L472-S476 PolarHBondContact O-N 2.98Å; L472-S476 PolarHBondContact O-OG 3.44Å; L473-S476 CarbonylContact C-O 3.46Å; L473-S476 CarbonylContact O-C 3.37Å; L473-S476 VanDerWaalsContact O-O 3.1Å; S476-D478 PolarHBondContact O-N 2.89Å; S476-V482 WeakPolarHBondContact O-CG2 2.97Å; S476-V482 WeakPolarHBondContact OG-CG2 3.33Å
477R66.6Low68.8Low176 Ų17666.9 Ų66.966%0.66433%0.333SS*.  trans-63.9-17.9171.3-66.6-177.2-180160-3.7112.2L479 E522R477-L479 PolarHBondContact O-N 3.21Å; R477-E522 WeakPolarHBondContact CD-OE1 3.31Å; R477-E522 IonicContact CZ-OE1 2.9Å; R477-E522 IonicContact NE-OE1 2.8Å; R477-E522 PolarHBondContact NE-OE1 3.48Å
478D62.1Low67.6Low111 Ų11168.6 Ų68.659%0.59435%0.35SS*.  trans-79.1102.9177.7-69.6-24.8000112S476 I480 L481 V482S476-D478 PolarHBondContact O-N 2.89Å; D478-I480 VanDerWaalsContact C-N 3.25Å; D478-I480 PolarHBondContact O-N 3.36Å; D478-L481 HydrophobicContact CB-CB 4.07Å; D478-L481 WeakPolarHBondContact O-CA 3.44Å; D478-L481 VanDerWaalsContact O-CB 3.3Å; D478-L481 WeakPolarHBondContact O-CB 3.4Å; D478-L481 PolarHBondContact O-N 2.91Å; D478-V482 PolarHBondContact O-N 3.23Å; D478-V482 VanDerWaalsContact O-N 3.12Å
479L62.5Low66.6Low27 Ų2765.6 Ų65.614%0.14135%0.35CS..Hα-helixtrans-59.4-31.7-178.9-176.361.6000114L473 R477 L481 V482 K483 A529 N533 F534L473-L479 HydrophobicContact CD2-CD1 4.24Å; R477-L479 PolarHBondContact O-N 3.21Å; L479-L481 VanDerWaalsContact C-N 3.25Å; L479-L481 PolarHBondContact O-N 3.02Å; L479-V482 HydrophobicContact CD1-CB 4.41Å; L479-V482 PolarHBondContact O-N 3.35Å; L479-K483 WeakPolarHBondContact O-CB 3.44Å; L479-K483 PolarHBondContact O-N 3.06Å; L479-A529 VanDerWaalsContact CD2-C 3.44Å; L479-A529 HydrophobicContact CD2-CB 3.51Å; L479-A529 WeakPolarHBondContact CD2-O 3.41Å; L479-N533 HydrophobicContact CD2-CB 4.05Å; L479-N533 WeakPolarHBondContact CD2-ND2 3.48Å; L479-F534 HydrophobicContact CD1-CE2 3.71Å; L479-F534 HydrophobicContact CD1-CZ 4.18Å
480I64.1Low65.8Low138 Ų13867.7 Ų67.771%0.70836%0.361SS*.Hα-helixtrans-61.7-39.8176.1-60.1172.4000110D478 N484D478-I480 VanDerWaalsContact C-N 3.25Å; D478-I480 PolarHBondContact O-N 3.36Å; I480-N484 VanDerWaalsContact O-CG 3.25Å; I480-N484 PolarHBondContact O-N 3.18Å; I480-N484 PolarHBondContact O-ND2 3.09Å
481L61.6Low64.9Low78 Ų7868.5 Ų68.541%0.40837%0.367SS..Hα-helixtrans-69.8-43.2178-128.7155.5000110.3D478 L479 K483 N484 Q485D478-L481 HydrophobicContact CB-CB 4.07Å; D478-L481 WeakPolarHBondContact O-CA 3.44Å; D478-L481 VanDerWaalsContact O-CB 3.3Å; D478-L481 WeakPolarHBondContact O-CB 3.4Å; D478-L481 PolarHBondContact O-N 2.91Å; L479-L481 VanDerWaalsContact C-N 3.25Å; L479-L481 PolarHBondContact O-N 3.02Å; L481-K483 PolarHBondContact O-N 2.97Å; L481-N484 PolarHBondContact O-N 2.88Å; L481-N484 VanDerWaalsContact O-N 3.16Å; L481-Q485 HydrophobicContact CD2-CG 4.09Å; L481-Q485 WeakPolarHBondContact O-CG 3.25Å; L481-Q485 PolarHBondContact O-N 3.49Å
482V61.7Low64.4Low0 Ų071.8 Ų71.80%038%0.382CS..Hα-helixtrans-58.2-46.2174.4176.10000111.6L472 L473 S476 D478 L479 N484 Q485 L486 F534L472-V482 HydrophobicContact CB-CG1 3.99Å; L472-V482 HydrophobicContact CB-CG2 4.31Å; L473-V482 HydrophobicContact CD2-CG2 4.26Å; L473-V482 HydrophobicContact CG-CG1 4.39Å; L473-V482 HydrophobicContact CG-CG2 4.34Å; S476-V482 WeakPolarHBondContact O-CG2 2.97Å; S476-V482 WeakPolarHBondContact OG-CG2 3.33Å; D478-V482 PolarHBondContact O-N 3.23Å; D478-V482 VanDerWaalsContact O-N 3.12Å; L479-V482 HydrophobicContact CD1-CB 4.41Å; L479-V482 PolarHBondContact O-N 3.35Å; V482-N484 VanDerWaalsContact C-N 3.26Å; V482-N484 PolarHBondContact O-N 3.44Å; V482-Q485 PolarHBondContact O-N 3.25Å; V482-Q485 VanDerWaalsContact O-N 3.1Å; V482-L486 HydrophobicContact CG1-CD1 3.66Å; V482-L486 WeakPolarHBondContact O-CD1 3.37Å; V482-L486 PolarHBondContact O-N 3.05Å; V482-F534 HydrophobicContact CG1-CZ 4.48Å
483K63Low64.4Low81 Ų8178.1 Ų78.135%0.35241%0.405SS..Hα-helixtrans-61.7-33.8178-173.2170-177.1165.40112.5L479 L481 F534L479-K483 WeakPolarHBondContact O-CB 3.44Å; L479-K483 PolarHBondContact O-N 3.06Å; L481-K483 PolarHBondContact O-N 2.97Å; K483-F534 HydrophobicContact CG-CE1 4.41Å
484N62Low64.7Low130 Ų13078.2 Ų78.270%0.69541%0.406SS*.Hα-helixtrans-76.8-28.7175.1-67.7-22.5000113I480 L481 V482I480-N484 VanDerWaalsContact O-CG 3.25Å; I480-N484 PolarHBondContact O-N 3.18Å; I480-N484 PolarHBondContact O-ND2 3.09Å; L481-N484 PolarHBondContact O-N 2.88Å; L481-N484 VanDerWaalsContact O-N 3.16Å; V482-N484 VanDerWaalsContact C-N 3.26Å; V482-N484 PolarHBondContact O-N 3.44Å
485Q61.4Low65.2Low110 Ų11080.3 Ų80.351%0.51442%0.415SS..Hα-helixtrans-82.7-24.8178.1-68.2-71.9-9.100113.1L472 L481 V482L472-Q485 HydrophobicContact CD1-CB 4.43Å; L472-Q485 HydrophobicContact CD2-CB 4.15Å; L481-Q485 HydrophobicContact CD2-CG 4.09Å; L481-Q485 WeakPolarHBondContact O-CG 3.25Å; L481-Q485 PolarHBondContact O-N 3.49Å; V482-Q485 PolarHBondContact O-N 3.25Å; V482-Q485 VanDerWaalsContact O-N 3.1Å
486L60.8Low66Low10 Ų1076.5 Ų76.55%0.05240%0.395CS..SBendtrans-71125.3167-84.9141.9000108.8L472 V482 D490 I494 F534L472-L486 HydrophobicContact CD1-CD1 4.48Å; L472-L486 HydrophobicContact CD1-CG 3.98Å; V482-L486 HydrophobicContact CG1-CD1 3.66Å; V482-L486 WeakPolarHBondContact O-CD1 3.37Å; V482-L486 PolarHBondContact O-N 3.05Å; L486-D490 HydrophobicContact CD2-CB 3.78Å; L486-I494 HydrophobicContact CD1-CD1 4.31Å; L486-I494 HydrophobicContact CD2-CD1 4.25Å; L486-F534 HydrophobicContact CD1-CE1 3.82Å; L486-F534 HydrophobicContact CD1-CZ 3.57Å
487N60.9Low67.1Low110 Ų11079.8 Ų79.859%0.58841%0.408SS*.  trans-56.3145.3170.9-60.9-48.1000109S489 D490 S491N487-S489 PolarHBondContact O-N 3Å; N487-D490 PolarHBondContact ND2-OD2 2.98Å; N487-D490 PolarHBondContact O-N 3.06Å; N487-S491 PolarHBondContact O-N 3.4Å
488S57.9Low68.1Low96 Ų9671.4 Ų71.467%0.67138%0.376SS*.Hα-helixtrans-52.8-32.7179.157.50000113N492S488-N492 PolarHBondContact O-N 3.21Å
489S59.5Low69.2Low76 Ų7666.4 Ų66.453%0.53135%0.35SS..Hα-helixtrans-63.5-39.5173.3-60.90000113.9N487 R493N487-S489 PolarHBondContact O-N 3Å; S489-R493 WeakPolarHBondContact O-CD 2.98Å; S489-R493 VanDerWaalsContact O-CG 3.3Å; S489-R493 WeakPolarHBondContact O-CG 3.4Å
490D63.2Low70.4Confident47 Ų4765.1 Ų65.125%0.25134%0.343SS..Hα-helixtrans-78.5-38.4-178.1-62.6-36.3000110.6L486 N487 N492 R493 I494L486-D490 HydrophobicContact CD2-CB 3.78Å; N487-D490 PolarHBondContact ND2-OD2 2.98Å; N487-D490 PolarHBondContact O-N 3.06Å; D490-N492 PolarHBondContact O-N 3.4Å; D490-R493 PolarHBondContact O-N 3.21Å; D490-I494 PolarHBondContact O-N 3.37Å
491S62.8Low71.4Confident19 Ų1959.2 Ų59.213%0.13331%0.313CS..Hα-helixtrans-57.3-35.9176.3-173.30000112.4N487N487-S491 PolarHBondContact O-N 3.4Å
492N68.7Low72.6Confident126 Ų12655.6 Ų55.667%0.67430%0.295SS*.THydrogen-bonded Turntrans-81.8-13178.9-67.3-11.3000113.5S488 D490S488-N492 PolarHBondContact O-N 3.21Å; D490-N492 PolarHBondContact O-N 3.4Å
493R75.6Confident73.8Confident150 Ų15055.6 Ų55.657%0.56630%0.295SS*.THydrogen-bonded Turntrans-91-8.8178.2-74.1173-177.7-117.32.1113.1I465 S489 D490 T495I465-R493 HydrophobicContact CD1-CB 4.09Å; S489-R493 WeakPolarHBondContact O-CD 2.98Å; S489-R493 VanDerWaalsContact O-CG 3.3Å; S489-R493 WeakPolarHBondContact O-CG 3.4Å; D490-R493 PolarHBondContact O-N 3.21Å; R493-T495 PolarHBondContact O-N 3.32Å
494I79.8Confident74.9Confident7 Ų751.8 Ų51.84%0.03628%0.278CS..  trans-72.195.5177.7-62.7161.8000108.8I465 L469 L486 D490 L499 F534I465-I494 HydrophobicContact CG2-CG1 4.2Å; L469-I494 HydrophobicContact CD1-CD1 3.61Å; L469-I494 HydrophobicContact CD1-CG1 4.2Å; L469-I494 HydrophobicContact CD1-CG2 4.41Å; L486-I494 HydrophobicContact CD1-CD1 4.31Å; L486-I494 HydrophobicContact CD2-CD1 4.25Å; D490-I494 PolarHBondContact O-N 3.37Å; I494-L499 HydrophobicContact CG2-CD1 4.31Å; I494-L499 HydrophobicContact CG2-CD2 4.05Å; I494-L499 HydrophobicContact CG2-CG 3.81Å; I494-F534 HydrophobicContact CB-CB 4.08Å; I494-F534 HydrophobicContact CB-CG 4.5Å; I494-F534 HydrophobicContact CD1-CB 4.19Å; I494-F534 HydrophobicContact CD1-CD1 3.4Å; I494-F534 VanDerWaalsContact CD1-CD1 3.4Å; I494-F534 HydrophobicContact CD1-CD2 4.17Å; I494-F534 HydrophobicContact CD1-CE1 3.7Å; I494-F534 HydrophobicContact CD1-CE2 4.41Å; I494-F534 HydrophobicContact CD1-CG 3.67Å; I494-F534 HydrophobicContact CD1-CZ 4.21Å; I494-F534 HydrophobicContact CG2-CB 3.73Å; I494-F534 HydrophobicContact CG2-CG 4.29Å
495T85Confident75.9Confident63 Ų6346.1 Ų46.139%0.38725%0.247SC..  trans-92.3172174.365.60000111.1R493 E497 V498 L499R493-T495 PolarHBondContact O-N 3.32Å; T495-E497 PolarHBondContact O-N 2.76Å; T495-E497 PolarHBondContact OG1-N 3.07Å; T495-V498 PolarHBondContact O-N 3.27Å; T495-V498 VanDerWaalsContact O-N 3.09Å; T495-V498 PolarHBondContact OG1-N 3.19Å; T495-L499 PolarHBondContact O-N 3.5Å; T495-L499 VanDerWaalsContact O-N 3.1Å
496T85.2Confident77Confident29 Ų2941.1 Ų41.118%0.17822%0.224CC..Hα-helixtrans-51.9-36169.6-520000112.2A500 L564 V565 N568T496-A500 WeakPolarHBondContact O-CB 3.42Å; T496-A500 PolarHBondContact O-N 2.92Å; T496-L564 HydrophobicContact CG2-CB 4.48Å; T496-L564 HydrophobicContact CG2-CD2 4.38Å; T496-L564 HydrophobicContact CG2-CG 3.96Å; T496-V565 HydrophobicContact CG2-CB 4.29Å; T496-V565 HydrophobicContact CG2-CG2 3.87Å; T496-N568 HydrophobicContact CG2-CB 4.02Å
497E84.6Confident78.1Confident91 Ų9140.6 Ų40.643%0.42522%0.222SC..Hα-helixtrans-68.5-42.7178-66.5178.1-18000111.8T495 A500 V501 N568T495-E497 PolarHBondContact O-N 2.76Å; T495-E497 PolarHBondContact OG1-N 3.07Å; E497-A500 PolarHBondContact O-N 3.43Å; E497-V501 VanDerWaalsContact O-CG2 3.28Å; E497-V501 WeakPolarHBondContact O-CG2 3.25Å; E497-V501 PolarHBondContact O-N 3.07Å; E497-N568 WeakPolarHBondContact CG-ND2 3.19Å
498V86.8Confident79.2Confident0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-63-44177.9177.20000110.7N462 I465 A466 T495 V501 A502N462-V498 HydrophobicContact CB-CG2 4.07Å; I465-V498 HydrophobicContact CB-CG1 4.07Å; I465-V498 HydrophobicContact CG2-CG1 3.73Å; A466-V498 HydrophobicContact CB-CG1 4.22Å; T495-V498 PolarHBondContact O-N 3.27Å; T495-V498 VanDerWaalsContact O-N 3.09Å; T495-V498 PolarHBondContact OG1-N 3.19Å; V498-V501 PolarHBondContact O-N 3.39Å; V498-A502 WeakPolarHBondContact O-CB 3.28Å; V498-A502 PolarHBondContact O-N 3.25Å
499L86.4Confident79.9Confident7 Ų739.2 Ų39.24%0.03720%0.201CC..Hα-helixtrans-65.6-38.8175.5-73.9176.9000112.3L469 I494 T495 V501 A502 V503 C530 A531 L535 V565L469-L499 HydrophobicContact CD1-CD2 4.39Å; I494-L499 HydrophobicContact CG2-CD1 4.31Å; I494-L499 HydrophobicContact CG2-CD2 4.05Å; I494-L499 HydrophobicContact CG2-CG 3.81Å; T495-L499 PolarHBondContact O-N 3.5Å; T495-L499 VanDerWaalsContact O-N 3.1Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.3Å; L499-A502 WeakPolarHBondContact O-CB 3.37Å; L499-A502 PolarHBondContact O-N 2.74Å; L499-V503 WeakPolarHBondContact O-CG2 3.5Å; L499-V503 PolarHBondContact O-N 3.38Å; L499-C530 HydrophobicContact CD2-CB 4.32Å; L499-A531 HydrophobicContact CD1-CB 4.49Å; L499-L535 HydrophobicContact CD1-CD1 3.71Å; L499-L535 HydrophobicContact CD1-CD2 3.94Å; L499-L535 HydrophobicContact CD1-CG 3.64Å; L499-V565 HydrophobicContact CB-CG1 4.11Å; L499-V565 HydrophobicContact CB-CG2 4.25Å; L499-V565 HydrophobicContact CD1-CG2 4.35Å
500A87Confident80.3Confident0 Ų038.9 Ų38.90%021%0.209CC..Hα-helixtrans-61.7-44174.200000111.5T496 E497 A502 V503 L504 V565 L569T496-A500 WeakPolarHBondContact O-CB 3.42Å; T496-A500 PolarHBondContact O-N 2.92Å; E497-A500 PolarHBondContact O-N 3.43Å; A500-A502 VanDerWaalsContact C-N 3.31Å; A500-A502 PolarHBondContact O-N 3.42Å; A500-V503 PolarHBondContact O-N 3Å; A500-L504 WeakPolarHBondContact O-CG 3.39Å; A500-L504 PolarHBondContact O-N 3Å; A500-V565 HydrophobicContact CB-CG1 4.22Å; A500-L569 HydrophobicContact CB-CB 3.85Å; A500-L569 HydrophobicContact CB-CD1 4.34Å; A500-L569 HydrophobicContact CB-CG 4.41Å; A500-L569 WeakPolarHBondContact O-CD1 3.36Å
501V86.2Confident80.7Confident13 Ų1338 Ų388%0.07921%0.205CC..Hα-helixtrans-63.7-37.2174.9173.80000111.2K463 A466 E497 V498 L499 L504 H505 T573K463-V501 HydrophobicContact CB-CG1 4.41Å; A466-V501 HydrophobicContact CB-CB 4.34Å; A466-V501 HydrophobicContact CB-CG1 3.99Å; E497-V501 VanDerWaalsContact O-CG2 3.28Å; E497-V501 WeakPolarHBondContact O-CG2 3.25Å; E497-V501 PolarHBondContact O-N 3.07Å; V498-V501 PolarHBondContact O-N 3.39Å; L499-V501 VanDerWaalsContact C-N 3.35Å; L499-V501 PolarHBondContact O-N 3.3Å; V501-L504 PolarHBondContact O-N 3.42Å; V501-H505 VanDerWaalsContact CG1-CE1 3.49Å; V501-H505 WeakPolarHBondContact CG1-CE1 3.27Å; V501-H505 WeakPolarHBondContact CG1-ND1 3.48Å; V501-H505 PolarHBondContact O-N 3.44Å; V501-H505 PolarHBondContact O-ND1 3.48Å; V501-T573 HydrophobicContact CG2-CG2 3.82Å
502A86.6Confident80.6Confident2 Ų244.8 Ų44.82%0.01724%0.24CC..Hα-helixtrans-63.4-45.8174.800000112A466 L469 L470 V498 L499 A500 L504 H505 L506A466-A502 HydrophobicContact CB-CB 3.86Å; L469-A502 HydrophobicContact CD2-CB 4.37Å; L470-A502 HydrophobicContact CD1-CB 4.21Å; L470-A502 WeakPolarHBondContact CD1-O 3.22Å; L470-A502 HydrophobicContact CD2-CB 4.32Å; L470-A502 HydrophobicContact CG-CB 4.16Å; V498-A502 WeakPolarHBondContact O-CB 3.28Å; V498-A502 PolarHBondContact O-N 3.25Å; L499-A502 WeakPolarHBondContact O-CB 3.37Å; L499-A502 PolarHBondContact O-N 2.74Å; A500-A502 VanDerWaalsContact C-N 3.31Å; A500-A502 PolarHBondContact O-N 3.42Å; A502-L504 VanDerWaalsContact C-N 3.28Å; A502-L504 PolarHBondContact O-N 3.37Å; A502-H505 PolarHBondContact O-N 3.48Å; A502-L506 PolarHBondContact O-N 3.4Å
503V87.5Confident80.7Confident1 Ų140.2 Ų40.21%0.00622%0.216CC..Hα-helixtrans-59.8-39.7175.4173.20000111.2L499 A500 L506 C507 L527 W566 L569 L586L499-V503 WeakPolarHBondContact O-CG2 3.5Å; L499-V503 PolarHBondContact O-N 3.38Å; A500-V503 PolarHBondContact O-N 3Å; V503-L506 WeakPolarHBondContact O-CB 3.33Å; V503-L506 PolarHBondContact O-N 3.12Å; V503-C507 PolarHBondContact O-N 3.43Å; V503-C507 VanDerWaalsContact O-N 3.1Å; V503-C507 PolarHBondContact O-SG 2.97Å; V503-L527 HydrophobicContact CG2-CD1 4.27Å; V503-L527 HydrophobicContact CG2-CD2 3.88Å; V503-W566 HydrophobicContact CG1-CH2 4.13Å; V503-W566 HydrophobicContact CG1-CZ2 3.97Å; V503-W566 HydrophobicContact CG2-CH2 3.72Å; V503-W566 HydrophobicContact CG2-CZ2 4.4Å; V503-W566 HydrophobicContact CG2-CZ3 4.13Å; V503-L569 HydrophobicContact CB-CD1 3.75Å; V503-L569 HydrophobicContact CG1-CD1 3.62Å; V503-L586 HydrophobicContact CG1-CD1 4.17Å
504L84.8Confident80.5Confident1 Ų139.2 Ų39.21%0.00522%0.216CC..Hα-helixtrans-64.7-41.8176.3-70.1-179000113A500 V501 A502 L506 C507 E508 L569 T573 L574 T577 L579A500-L504 WeakPolarHBondContact O-CG 3.39Å; A500-L504 PolarHBondContact O-N 3Å; V501-L504 PolarHBondContact O-N 3.42Å; A502-L504 VanDerWaalsContact C-N 3.28Å; A502-L504 PolarHBondContact O-N 3.37Å; L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.36Å; L504-C507 CarbonylContact O-C 3.59Å; L504-C507 PolarHBondContact O-N 3.31Å; L504-C507 VanDerWaalsContact O-N 3.11Å; L504-E508 PolarHBondContact O-N 3.12Å; L504-L569 HydrophobicContact CD2-CD1 4.03Å; L504-L569 HydrophobicContact CD2-CD2 4.1Å; L504-L569 HydrophobicContact CD2-CG 4.05Å; L504-L569 HydrophobicContact CG-CD1 4.03Å; L504-L569 HydrophobicContact CG-CG 4.19Å; L504-T573 HydrophobicContact CD1-CG2 3.39Å; L504-L574 HydrophobicContact CD1-CD2 4.11Å; L504-L574 HydrophobicContact CD2-CD2 3.31Å; L504-L574 HydrophobicContact CD2-CG 4.13Å; L504-L574 HydrophobicContact CG-CD2 4.36Å; L504-T577 HydrophobicContact CD1-CG2 4.37Å; L504-L579 HydrophobicContact CB-CD2 4.03Å
505H83.6Confident80Confident10 Ų1039.3 Ų39.35%0.04622%0.216CC..Hα-helixtrans-69.9-26.5175-72.985.4000112.5K463 L467 L470 V501 A502 C507 E508 T511K463-H505 VanDerWaalsContact CE-NE2 3.28Å; K463-H505 WeakPolarHBondContact CE-NE2 3.27Å; L467-H505 HydrophobicContact CD2-CB 4.2Å; L470-H505 HydrophobicContact CD1-CB 3.95Å; V501-H505 VanDerWaalsContact CG1-CE1 3.49Å; V501-H505 WeakPolarHBondContact CG1-CE1 3.27Å; V501-H505 WeakPolarHBondContact CG1-ND1 3.48Å; V501-H505 PolarHBondContact O-N 3.44Å; V501-H505 PolarHBondContact O-ND1 3.48Å; A502-H505 PolarHBondContact O-N 3.48Å; H505-C507 VanDerWaalsContact C-N 3.26Å; H505-C507 PolarHBondContact O-N 3Å; H505-E508 IonicContact CD2-OE2 2.94Å; H505-E508 PolarHBondContact O-N 2.98Å; H505-T511 WeakPolarHBondContact O-CG2 3.41Å
506L83.3Confident79.4Confident5 Ų537.9 Ų37.93%0.02621%0.21CC..Hα-helixtrans-66.9-32.8169.6-171.665.6000111.3A502 V503 L504 L515 A516 L523 L589A502-L506 PolarHBondContact O-N 3.4Å; V503-L506 WeakPolarHBondContact O-CB 3.33Å; V503-L506 PolarHBondContact O-N 3.12Å; L504-L506 VanDerWaalsContact C-N 3.31Å; L504-L506 PolarHBondContact O-N 3.36Å; L506-L515 HydrophobicContact CD1-CB 4.26Å; L506-L515 HydrophobicContact CD1-CD2 4.37Å; L506-L515 HydrophobicContact CD1-CG 4.19Å; L506-A516 HydrophobicContact CD1-CB 3.91Å; L506-L523 HydrophobicContact CD2-CD1 4.39Å; L506-L523 HydrophobicContact CD2-CD2 3.97Å; L506-L589 HydrophobicContact CD2-CD1 3.83Å; L506-L589 HydrophobicContact CG-CD1 4.37Å
507C84.3Confident78.9Confident0 Ų044.5 Ų44.50%024%0.239CC..THydrogen-bonded Turntrans-86.2-4.3178.3-61.10000114.3V503 L504 H505 S582 K585V503-C507 PolarHBondContact O-N 3.43Å; V503-C507 VanDerWaalsContact O-N 3.1Å; V503-C507 PolarHBondContact O-SG 2.97Å; L504-C507 CarbonylContact O-C 3.59Å; L504-C507 PolarHBondContact O-N 3.31Å; L504-C507 VanDerWaalsContact O-N 3.11Å; H505-C507 VanDerWaalsContact C-N 3.26Å; H505-C507 PolarHBondContact O-N 3Å; C507-S582 PolarHBondContact O-N 3.04Å; C507-K585 HydrophobicContact CB-CB 4.29Å
508E85.2Confident78.6Confident55 Ų5541 Ų4126%0.25723%0.226SC..BIsolated β-bridgetrans-62.2147.7-179170.8179.7-155.500111.5L504 H505 T511 L579 K585L504-E508 PolarHBondContact O-N 3.12Å; H505-E508 IonicContact CD2-OE2 2.94Å; H505-E508 PolarHBondContact O-N 2.98Å; E508-T511 HydrophobicContact CB-CG2 3.38Å; E508-T511 HydrophobicContact CG-CG2 3.79Å; E508-T511 VanDerWaalsContact O-CG2 3.28Å; E508-T511 WeakPolarHBondContact O-CG2 3.44Å; E508-T511 PolarHBondContact O-OG1 2.94Å; E508-L579 HydrophobicContact CB-CD2 4.39Å; E508-L579 HydrophobicContact CG-CD1 4.2Å; E508-L579 WeakPolarHBondContact OE1-CD1 3.3Å; E508-K585 PolarHBondContact O-NZ 3.35Å; E508-K585 VanDerWaalsContact O-NZ 3.07Å
509E71.4Confident78.2Confident122 Ų12246.6 Ų46.657%0.5725%0.252SS*.THydrogen-bonded Turntrans-78129.5178.3-65.8-177.4173.800109.6
510G68.1Low77.6Confident68 Ų6846.3 Ų46.370%0.70125%0.251SS*.THydrogen-bonded Turntrans78.716.7-177.400000115.6N512G510-N512 PolarHBondContact O-N 3.12Å; G510-N512 PolarHBondContact O-ND2 3.41Å
511T71Confident77.2Confident28 Ų2849.4 Ų49.417%0.17227%0.272CS..  trans-62.9128.7176.151.10000111.7H505 E508 L513H505-T511 WeakPolarHBondContact O-CG2 3.41Å; E508-T511 HydrophobicContact CB-CG2 3.38Å; E508-T511 HydrophobicContact CG-CG2 3.79Å; E508-T511 VanDerWaalsContact O-CG2 3.28Å; E508-T511 WeakPolarHBondContact O-CG2 3.44Å; E508-T511 PolarHBondContact O-OG1 2.94Å; T511-L513 VanDerWaalsContact C-N 3.27Å; T511-L513 PolarHBondContact O-N 3.16Å
512N62Low77.1Confident162 Ų16252 Ų5287%0.86628%0.283SS*.  trans-93.522.7175.7-66.5-75000112.1G510 K514G510-N512 PolarHBondContact O-N 3.12Å; G510-N512 PolarHBondContact O-ND2 3.41Å; N512-K514 PolarHBondContact O-N 3.36Å
513L71.3Confident76.9Confident31 Ų3152.3 Ų52.316%0.16228%0.284CS..  trans-79.4120.3-179.7-66.1171.2000108.4L470 T511 L515 A516L470-L513 HydrophobicContact CB-CD1 4.17Å; L470-L513 HydrophobicContact CB-CD2 4.33Å; L470-L513 HydrophobicContact CD1-CD1 3.83Å; T511-L513 VanDerWaalsContact C-N 3.27Å; T511-L513 PolarHBondContact O-N 3.16Å; L513-L515 PolarHBondContact O-N 3.1Å; L513-A516 HydrophobicContact CB-CB 4.42Å; L513-A516 WeakPolarHBondContact O-CB 3.38Å; L513-A516 PolarHBondContact O-N 3.06Å
514K69.8Low76.7Confident129 Ų12952.4 Ų52.456%0.56129%0.285SS*.G310 helixtrans-50.9-31.1173-63.6175.3-173158.60112.6D475 N512 A516 E517D475-K514 IonicContact OD1-NZ 3.06Å; D475-K514 PolarHBondContact OD1-NZ 2.9Å; N512-K514 PolarHBondContact O-N 3.36Å; K514-A516 VanDerWaalsContact C-N 3.29Å; K514-A516 PolarHBondContact O-N 3.46Å; K514-E517 PolarHBondContact O-N 3.19Å
515L70.5Confident76.7Confident9 Ų955.1 Ų55.15%0.04731%0.308CS..G310 helixtrans-65.2-32.1178.4-169.461.5000112.1L470 L473 L506 L513 E517 A518 L523 I526L470-L515 HydrophobicContact CD2-CD2 3.97Å; L473-L515 HydrophobicContact CB-CD2 3.97Å; L506-L515 HydrophobicContact CD1-CB 4.26Å; L506-L515 HydrophobicContact CD1-CD2 4.37Å; L506-L515 HydrophobicContact CD1-CG 4.19Å; L513-L515 PolarHBondContact O-N 3.1Å; L515-E517 PolarHBondContact O-N 3.16Å; L515-A518 WeakPolarHBondContact O-CB 3.45Å; L515-A518 PolarHBondContact O-N 2.87Å; L515-L523 HydrophobicContact CD1-CD2 3.64Å; L515-L523 HydrophobicContact CD2-CD2 4.37Å; L515-L523 HydrophobicContact CG-CD2 3.54Å; L515-L523 WeakPolarHBondContact O-CD2 3.49Å; L515-I526 HydrophobicContact CD1-CD1 3.66Å
516A72.6Confident76.6Confident32 Ų3255.7 Ų55.726%0.26431%0.311SS..G310 helixtrans-69.4-14.2179.500000113.6L506 L513 K514L506-A516 HydrophobicContact CD1-CB 3.91Å; L513-A516 HydrophobicContact CB-CB 4.42Å; L513-A516 WeakPolarHBondContact O-CB 3.38Å; L513-A516 PolarHBondContact O-N 3.06Å; K514-A516 VanDerWaalsContact C-N 3.29Å; K514-A516 PolarHBondContact O-N 3.46Å
517E74.6Confident76.7Confident168 Ų16856.2 Ų56.279%0.78531%0.314SS*.G310 helixtrans-88.8-6.4176.8-60.6177.1174.700112.8K514 L515K514-E517 PolarHBondContact O-N 3.19Å; L515-E517 PolarHBondContact O-N 3.16Å
518A77.1Confident76.7Confident18 Ų1856.7 Ų56.715%0.14932%0.317CS..SBendtrans-76.2157.7-179.200000112.7L515 L523L515-A518 WeakPolarHBondContact O-CB 3.45Å; L515-A518 PolarHBondContact O-N 2.87Å; A518-L523 HydrophobicContact CB-CD2 4.15Å; A518-L523 HydrophobicContact CB-CG 3.98Å; A518-L523 WeakPolarHBondContact O-CD1 3.44Å
519E79.7Confident76.6Confident117 Ų11755.5 Ų55.555%0.54732%0.317SS..  trans-61.1148.5176.5-72.1-58143.200111.4C521 E522 L523E519-C521 VanDerWaalsContact C-N 3.3Å; E519-C521 PolarHBondContact O-N 2.71Å; E519-E522 HydrophobicContact CB-CB 4.34Å; E519-E522 WeakPolarHBondContact O-CB 3.49Å; E519-E522 PolarHBondContact O-N 3.41Å; E519-E522 VanDerWaalsContact O-N 3.08Å; E519-L523 PolarHBondContact O-N 2.84Å
520P73Confident77.1Confident2 Ų249.8 Ų49.81%0.01329%0.29CS..Hα-helixtrans-60-40.2-174.522.9-32000112.7E522 L523 A524 F588 A592P520-E522 VanDerWaalsContact C-N 3.33Å; P520-L523 PolarHBondContact O-N 2.65Å; P520-A524 VanDerWaalsContact O-CB 3.23Å; P520-A524 WeakPolarHBondContact O-CB 3.4Å; P520-A524 PolarHBondContact O-N 2.98Å; P520-F588 HydrophobicContact CB-CD1 3.72Å; P520-F588 HydrophobicContact CB-CE1 3.32Å; P520-F588 HydrophobicContact CB-CE2 4.37Å; P520-F588 HydrophobicContact CB-CG 4.43Å; P520-F588 HydrophobicContact CB-CZ 3.69Å; P520-F588 HydrophobicContact CG-CD1 4.3Å; P520-F588 HydrophobicContact CG-CE1 3.44Å; P520-F588 VanDerWaalsContact CG-CE1 3.44Å; P520-F588 HydrophobicContact CG-CE2 4.12Å; P520-F588 HydrophobicContact CG-CZ 3.33Å; P520-A592 HydrophobicContact CB-CB 3.9Å
521C79.3Confident77.8Confident65 Ų6546.5 Ų46.544%0.43926%0.256SS..Hα-helixtrans-68.4-35.4179.7-65.20000111.1E519 A525E519-C521 VanDerWaalsContact C-N 3.3Å; E519-C521 PolarHBondContact O-N 2.71Å; C521-A525 WeakPolarHBondContact O-CB 3.43Å; C521-A525 PolarHBondContact O-N 2.95Å
522E83.5Confident78.3Confident66 Ų6650.8 Ų50.831%0.30827%0.274SS..Hα-helixtrans-66.7-47.2173.4-171.7-179.6179.700110.3R477 E519 P520 A524 A525 I526R477-E522 WeakPolarHBondContact CD-OE1 3.31Å; R477-E522 IonicContact CZ-OE1 2.9Å; R477-E522 IonicContact NE-OE1 2.8Å; R477-E522 PolarHBondContact NE-OE1 3.48Å; E519-E522 HydrophobicContact CB-CB 4.34Å; E519-E522 WeakPolarHBondContact O-CB 3.49Å; E519-E522 PolarHBondContact O-N 3.41Å; E519-E522 VanDerWaalsContact O-N 3.08Å; P520-E522 VanDerWaalsContact C-N 3.33Å; E522-A524 VanDerWaalsContact C-N 3.34Å; E522-A524 PolarHBondContact O-N 3.24Å; E522-A525 PolarHBondContact O-N 2.9Å; E522-I526 HydrophobicContact CG-CD1 4.04Å; E522-I526 VanDerWaalsContact O-CG1 3.26Å; E522-I526 WeakPolarHBondContact O-CG1 3.46Å; E522-I526 PolarHBondContact O-N 3.08Å
523L81.7Confident78.9Confident9 Ų946.1 Ų46.15%0.04725%0.249CC..Hα-helixtrans-59.8-43.4175.7-76.2176.3000112.7L506 L515 A518 E519 P520 I526 L527 L589L506-L523 HydrophobicContact CD2-CD1 4.39Å; L506-L523 HydrophobicContact CD2-CD2 3.97Å; L515-L523 HydrophobicContact CD1-CD2 3.64Å; L515-L523 HydrophobicContact CD2-CD2 4.37Å; L515-L523 HydrophobicContact CG-CD2 3.54Å; L515-L523 WeakPolarHBondContact O-CD2 3.49Å; A518-L523 HydrophobicContact CB-CD2 4.15Å; A518-L523 HydrophobicContact CB-CG 3.98Å; A518-L523 WeakPolarHBondContact O-CD1 3.44Å; E519-L523 PolarHBondContact O-N 2.84Å; P520-L523 PolarHBondContact O-N 2.65Å; L523-I526 PolarHBondContact O-N 3.39Å; L523-L527 WeakPolarHBondContact O-CB 3.49Å; L523-L527 VanDerWaalsContact O-CG 3.24Å; L523-L527 WeakPolarHBondContact O-CG 3.42Å; L523-L527 PolarHBondContact O-N 3.43Å; L523-L589 HydrophobicContact CB-CD2 3.53Å; L523-L589 HydrophobicContact CD1-CD2 3.74Å; L523-L589 HydrophobicContact CG-CD2 4.24Å
524A84.5Confident79.1Confident3 Ų345 Ų453%0.02524%0.243CC..Hα-helixtrans-59.7-49.7175.100000110.7P520 E522 I526 L527 V528 A592 L593P520-A524 VanDerWaalsContact O-CB 3.23Å; P520-A524 WeakPolarHBondContact O-CB 3.4Å; P520-A524 PolarHBondContact O-N 2.98Å; E522-A524 VanDerWaalsContact C-N 3.34Å; E522-A524 PolarHBondContact O-N 3.24Å; A524-I526 VanDerWaalsContact C-N 3.32Å; A524-I526 PolarHBondContact O-N 3.14Å; A524-L527 PolarHBondContact O-N 3.28Å; A524-V528 WeakPolarHBondContact O-CG2 3.47Å; A524-V528 PolarHBondContact O-N 3.02Å; A524-A592 HydrophobicContact CB-CB 4.03Å; A524-L593 HydrophobicContact CB-CD2 3.69Å; A524-L593 HydrophobicContact CB-CG 4.03Å
525A84Confident79.4Confident58 Ų5840.2 Ų40.248%0.47922%0.223SC..Hα-helixtrans-60.4-40.717800000112.3C521 E522 V528 A529C521-A525 WeakPolarHBondContact O-CB 3.43Å; C521-A525 PolarHBondContact O-N 2.95Å; E522-A525 PolarHBondContact O-N 2.9Å; A525-V528 PolarHBondContact O-N 3.43Å; A525-A529 WeakPolarHBondContact O-CB 3.17Å; A525-A529 PolarHBondContact O-N 2.85Å
526I82.4Confident78.7Confident23 Ų2345.7 Ų45.712%0.11825%0.248CC..Hα-helixtrans-63.1-45.7175.4-69.2168.3000110.6L473 L515 E522 L523 A524 V528 A529 C530L473-I526 HydrophobicContact CD2-CG2 3.75Å; L515-I526 HydrophobicContact CD1-CD1 3.66Å; E522-I526 HydrophobicContact CG-CD1 4.04Å; E522-I526 VanDerWaalsContact O-CG1 3.26Å; E522-I526 WeakPolarHBondContact O-CG1 3.46Å; E522-I526 PolarHBondContact O-N 3.08Å; L523-I526 PolarHBondContact O-N 3.39Å; A524-I526 VanDerWaalsContact C-N 3.32Å; A524-I526 PolarHBondContact O-N 3.14Å; I526-V528 PolarHBondContact O-N 2.93Å; I526-A529 PolarHBondContact O-N 2.67Å; I526-C530 WeakPolarHBondContact O-CB 3.3Å; I526-C530 PolarHBondContact O-N 3.25Å; I526-C530 PolarHBondContact O-SG 2.94Å
527L84.1Confident77.6Confident16 Ų1653.8 Ų53.88%0.08427%0.272CS..Hα-helixtrans-65.9-37.9179.6-71.3167.6000112.2V503 L523 A524 C530 A531 W566V503-L527 HydrophobicContact CG2-CD1 4.27Å; V503-L527 HydrophobicContact CG2-CD2 3.88Å; L523-L527 WeakPolarHBondContact O-CB 3.49Å; L523-L527 VanDerWaalsContact O-CG 3.24Å; L523-L527 WeakPolarHBondContact O-CG 3.42Å; L523-L527 PolarHBondContact O-N 3.43Å; A524-L527 PolarHBondContact O-N 3.28Å; L527-C530 PolarHBondContact O-N 3.01Å; L527-A531 WeakPolarHBondContact O-CB 3.45Å; L527-A531 PolarHBondContact O-N 3.23Å; L527-W566 HydrophobicContact CD1-CH2 4.09Å
528V85.2Confident76.1Confident10 Ų1050.3 Ų50.36%0.06126%0.259CS..Hα-helixtrans-59.1-52.4171.4173.40000110A524 A525 I526 C530 A531 E532 L562 L593 H598A524-V528 WeakPolarHBondContact O-CG2 3.47Å; A524-V528 PolarHBondContact O-N 3.02Å; A525-V528 PolarHBondContact O-N 3.43Å; I526-V528 PolarHBondContact O-N 2.93Å; V528-C530 VanDerWaalsContact C-N 3.3Å; V528-C530 PolarHBondContact O-N 2.85Å; V528-A531 PolarHBondContact O-N 3.45Å; V528-A531 VanDerWaalsContact O-N 3.13Å; V528-E532 HydrophobicContact CG1-CG 4.43Å; V528-E532 WeakPolarHBondContact O-CG 3.31Å; V528-E532 PolarHBondContact O-N 3.45Å; V528-L562 HydrophobicContact CB-CD1 4.12Å; V528-L562 HydrophobicContact CG2-CD1 3.39Å; V528-L593 HydrophobicContact CG2-CD2 3.9Å; V528-H598 HydrophobicContact CG2-CB 4.22Å; V528-H598 WeakPolarHBondContact CG2-CD2 3.46Å; V528-H598 VanDerWaalsContact CG2-NE2 3.33Å; V528-H598 WeakPolarHBondContact CG2-NE2 3.24Å
529A81.8Confident74.3Confident30 Ų3053.3 Ų53.325%0.24828%0.284CS..Hα-helixtrans-61-40.2179.600000111.3L479 A525 I526 N533L479-A529 VanDerWaalsContact CD2-C 3.44Å; L479-A529 HydrophobicContact CD2-CB 3.51Å; L479-A529 WeakPolarHBondContact CD2-O 3.41Å; A525-A529 WeakPolarHBondContact O-CB 3.17Å; A525-A529 PolarHBondContact O-N 2.85Å; I526-A529 PolarHBondContact O-N 2.67Å; A529-N533 VanDerWaalsContact O-CB 3.31Å; A529-N533 WeakPolarHBondContact O-CB 3.21Å; A529-N533 PolarHBondContact O-N 3.37Å; A529-N533 PolarHBondContact O-ND2 3.12Å
530C82.1Confident72Confident1 Ų154 Ų541%0.00729%0.285CS..Hα-helixtrans-60.9-46.6173.5-72.10000112.1L499 I526 L527 V528 N533 F534L499-C530 HydrophobicContact CD2-CB 4.32Å; I526-C530 WeakPolarHBondContact O-CB 3.3Å; I526-C530 PolarHBondContact O-N 3.25Å; I526-C530 PolarHBondContact O-SG 2.94Å; L527-C530 PolarHBondContact O-N 3.01Å; V528-C530 VanDerWaalsContact C-N 3.3Å; V528-C530 PolarHBondContact O-N 2.85Å; C530-N533 PolarHBondContact O-N 3.4Å; C530-F534 HydrophobicContact CB-CD2 4.19Å; C530-F534 WeakPolarHBondContact O-CB 3.47Å; C530-F534 VanDerWaalsContact O-CD2 3.27Å; C530-F534 WeakPolarHBondContact O-CD2 3.26Å; C530-F534 PolarHBondContact O-N 2.95Å
531A82.7Confident70.1Confident0 Ų057.7 Ų57.70%031%0.308CS..Hα-helixtrans-64.2-44.3179.400000111.8L499 L527 V528 N533 L535 P561 L562L499-A531 HydrophobicContact CD1-CB 4.49Å; L527-A531 WeakPolarHBondContact O-CB 3.45Å; L527-A531 PolarHBondContact O-N 3.23Å; V528-A531 PolarHBondContact O-N 3.45Å; V528-A531 VanDerWaalsContact O-N 3.13Å; A531-N533 VanDerWaalsContact C-N 3.33Å; A531-N533 PolarHBondContact O-N 3.11Å; A531-L535 HydrophobicContact CB-CD1 4.2Å; A531-L535 VanDerWaalsContact O-CB 3.22Å; A531-L535 WeakPolarHBondContact O-CB 3.27Å; A531-L535 PolarHBondContact O-N 3Å; A531-P561 HydrophobicContact CB-CB 4.28Å; A531-P561 HydrophobicContact CB-CG 4.14Å; A531-L562 HydrophobicContact CB-CD2 3.5Å; A531-L562 VanDerWaalsContact CB-CD2 3.5Å; A531-L562 HydrophobicContact CB-CG 3.75Å
532E81.6Confident67.7Low118 Ų11859.6 Ų59.655%0.55132%0.322SS*.Hα-helixtrans-66.1-32.8178.8-70.2-177.6164.800113.3V528 H560V528-E532 HydrophobicContact CG1-CG 4.43Å; V528-E532 WeakPolarHBondContact O-CG 3.31Å; V528-E532 PolarHBondContact O-N 3.45Å; E532-H560 IonicContact OE1-NE2 2.76Å
533N75.5Confident64.9Low64 Ų6461.3 Ų61.334%0.34234%0.341SS..Hα-helixtrans-89.3-32.5-176.7-79.2-79.8000114.7L479 A529 C530 A531L479-N533 HydrophobicContact CD2-CB 4.05Å; L479-N533 WeakPolarHBondContact CD2-ND2 3.48Å; A529-N533 VanDerWaalsContact O-CB 3.31Å; A529-N533 WeakPolarHBondContact O-CB 3.21Å; A529-N533 PolarHBondContact O-N 3.37Å; A529-N533 PolarHBondContact O-ND2 3.12Å; C530-N533 PolarHBondContact O-N 3.4Å; A531-N533 VanDerWaalsContact C-N 3.33Å; A531-N533 PolarHBondContact O-N 3.11Å
534F74.8Confident62.3Low8 Ų868.2 Ų68.24%0.03538%0.377CS..Hα-helixtrans-104.2-32.1-174.5-65.3-64000113.6L469 L479 V482 K483 L486 I494 C530 H536L469-F534 HydrophobicContact CD1-CD2 4.3Å; L469-F534 HydrophobicContact CD1-CE2 4.16Å; L479-F534 HydrophobicContact CD1-CE2 3.71Å; L479-F534 HydrophobicContact CD1-CZ 4.18Å; V482-F534 HydrophobicContact CG1-CZ 4.48Å; K483-F534 HydrophobicContact CG-CE1 4.41Å; L486-F534 HydrophobicContact CD1-CE1 3.82Å; L486-F534 HydrophobicContact CD1-CZ 3.57Å; I494-F534 HydrophobicContact CB-CB 4.08Å; I494-F534 HydrophobicContact CB-CG 4.5Å; I494-F534 HydrophobicContact CD1-CB 4.19Å; I494-F534 HydrophobicContact CD1-CD1 3.4Å; I494-F534 VanDerWaalsContact CD1-CD1 3.4Å; I494-F534 HydrophobicContact CD1-CD2 4.17Å; I494-F534 HydrophobicContact CD1-CE1 3.7Å; I494-F534 HydrophobicContact CD1-CE2 4.41Å; I494-F534 HydrophobicContact CD1-CG 3.67Å; I494-F534 HydrophobicContact CD1-CZ 4.21Å; I494-F534 HydrophobicContact CG2-CB 3.73Å; I494-F534 HydrophobicContact CG2-CG 4.29Å; C530-F534 HydrophobicContact CB-CD2 4.19Å; C530-F534 WeakPolarHBondContact O-CB 3.47Å; C530-F534 VanDerWaalsContact O-CD2 3.27Å; C530-F534 WeakPolarHBondContact O-CD2 3.26Å; C530-F534 PolarHBondContact O-N 2.95Å; F534-H536 VanDerWaalsContact C-N 3.29Å; F534-H536 PolarHBondContact O-N 3.09Å
535L76.2Confident59.6Low27 Ų2774.7 Ų74.714%0.14142%0.417CS..SBendtrans-81.887.1171.1-57.1175.3000107.5L499 A531 P561 V565L499-L535 HydrophobicContact CD1-CD1 3.71Å; L499-L535 HydrophobicContact CD1-CD2 3.94Å; L499-L535 HydrophobicContact CD1-CG 3.64Å; A531-L535 HydrophobicContact CB-CD1 4.2Å; A531-L535 VanDerWaalsContact O-CB 3.22Å; A531-L535 WeakPolarHBondContact O-CB 3.27Å; A531-L535 PolarHBondContact O-N 3Å; L535-P561 HydrophobicContact CB-CB 4.38Å; L535-P561 HydrophobicContact CD1-CB 3.93Å; L535-V565 HydrophobicContact CD1-CG2 3.61Å
536H57.1Low56.9Low124 Ų12476.6 Ų76.657%0.57443%0.427SS*.  trans-47.8143.7174.8-110.7-89000110.2F534 D538F534-H536 VanDerWaalsContact C-N 3.29Å; F534-H536 PolarHBondContact O-N 3.09Å; H536-D538 PolarHBondContact O-N 3.37Å
537R48.4Very low54.3Low202 Ų20285.4 Ų85.476%0.76246%0.464SS*.G310 helixtrans-58.514.7-179.3-162.1176.5148.4-176.4-6.6114.5A539 F540R537-A539 PolarHBondContact O-N 3.47Å; R537-F540 HydrophobicContact CG-CD2 3.63Å; R537-F540 HydrophobicContact CG-CE2 4.36Å; R537-F540 HydrophobicContact CG-CG 4.5Å; R537-F540 WeakPolarHBondContact O-CB 3.28Å; R537-F540 PolarHBondContact O-N 3Å
538D42.6Very low51.7Low96 Ų9690.1 Ų90.151%0.51349%0.489SS..G310 helixtrans-69.3-12.5173.2-66.8-25.6000112.9H536 F540 T541 S542H536-D538 PolarHBondContact O-N 3.37Å; D538-F540 PolarHBondContact O-N 3.05Å; D538-F540 VanDerWaalsContact O-N 3.13Å; D538-T541 WeakPolarHBondContact CA-OG1 3.22Å; D538-T541 PolarHBondContact O-N 3.45Å; D538-T541 PolarHBondContact OD1-OG1 3.5Å; D538-S542 PolarHBondContact O-N 3.1Å
539A39.1Very low48.8Very low80 Ų8097.7 Ų97.766%0.66153%0.53SS*.G310 helixtrans-58.3-19.8162.800000112.5R537R537-A539 PolarHBondContact O-N 3.47Å
540F32.2Very low46.5Very low133 Ų133105.9 Ų105.958%0.58355%0.554SS**G310 helixtrans-91.1-11.1171.7-72.5-77.9000114.6R537 D538R537-F540 HydrophobicContact CG-CD2 3.63Å; R537-F540 HydrophobicContact CG-CE2 4.36Å; R537-F540 HydrophobicContact CG-CG 4.5Å; R537-F540 WeakPolarHBondContact O-CB 3.28Å; R537-F540 PolarHBondContact O-N 3Å; D538-F540 PolarHBondContact O-N 3.05Å; D538-F540 VanDerWaalsContact O-N 3.13Å
541T32.8Very low43.8Very low79 Ų79116.3 Ų116.349%0.48560%0.599SS.*THydrogen-bonded Turntrans-128-12.4-172.455.20000115.4D538 S543 L544D538-T541 WeakPolarHBondContact CA-OG1 3.22Å; D538-T541 PolarHBondContact O-N 3.45Å; D538-T541 PolarHBondContact OD1-OG1 3.5Å; T541-S543 PolarHBondContact O-N 3.32Å; T541-L544 PolarHBondContact O-N 2.88Å
542S28.5Very low41.1Very low104 Ų104124.6 Ų124.673%0.72764%0.64SS**THydrogen-bonded Turntrans-72.35.8-179.892.20000115.3D538D538-S542 PolarHBondContact O-N 3.1Å
543S26.5Very low38.4Very low103 Ų103128.1 Ų128.172%0.7265%0.653SS**THydrogen-bonded Turntrans-106.4-2.3169.2-179.10000113.5T541 T545T541-S543 PolarHBondContact O-N 3.32Å; S543-T545 PolarHBondContact O-N 3.23Å
544L25.8Very low36.2Very low153 Ų153130.9 Ų130.980%0.80168%0.675SS**THydrogen-bonded Turntrans-100.644.1-178.7-10888.4000113.2T541T541-L544 PolarHBondContact O-N 2.88Å
545T27.3Very low34.2Very low139 Ų139135.9 Ų135.985%0.85371%0.706SS**THydrogen-bonded Turntrans-136.134.4159.858.20000111.8S543S543-T545 PolarHBondContact O-N 3.23Å
546S28.4Very low32Very low99 Ų99143.9 Ų143.969%0.69274%0.74SS**  trans-110.8107.8161.6-163.80000109.3D548S546-D548 PolarHBondContact O-N 2.83Å
547K27.5Very low31.1Very low208 Ų208143.6 Ų143.690%0.90474%0.742SS**  trans-75.270.3-175.7-164.7179.1-173.8176.70109.4
548D30.3Very low30.9Very low114 Ų114138.8 Ų138.861%0.6174%0.739SS**  trans-138.888.5172.8-104.5-41.9000110.7S546 R550S546-D548 PolarHBondContact O-N 2.83Å; D548-R550 VanDerWaalsContact C-N 3.33Å; D548-R550 PolarHBondContact O-N 2.84Å
549N24Very low31.7Very low170 Ų170136.8 Ų136.891%0.90973%0.732SS**  trans-71.379.2176.3-78.6-25.8000111.1
550R32.2Very low33.3Very low201 Ų201135.2 Ų135.276%0.75871%0.711SS**  trans-137.692.9165.1-76.4-174-92.6-170.8-4.4111.1D548 M552D548-R550 VanDerWaalsContact C-N 3.33Å; D548-R550 PolarHBondContact O-N 2.84Å; R550-M552 PolarHBondContact O-N 3.38Å; R550-M552 VanDerWaalsContact O-N 3.16Å
551K25.6Very low35.6Very low220 Ų220130.8 Ų130.896%0.95770%0.696SS**  trans31.170.7152.2-63.9179.4178.2179.20115.4
552M26.9Very low38.1Very low175 Ų175127.2 Ų127.286%0.86267%0.674SS**  trans-118.7125.5158.6-69.3-153.579.600109R550R550-M552 PolarHBondContact O-N 3.38Å; R550-M552 VanDerWaalsContact O-N 3.16Å
553K24.6Very low40.8Very low191 Ų191122.7 Ų122.783%0.8364%0.642SS**  trans-53.1139.2172.4-71.3174.1176.9177.10108.1T555K553-T555 PolarHBondContact O-N 3.44Å
554P28.8Very low43.6Very low122 Ų122121.6 Ų121.679%0.79263%0.627SS**  trans-60.4106.7175.625.3-31.9000108.1K556P554-K556 PolarHBondContact O-N 2.62Å; P554-K556 VanDerWaalsContact O-N 3.13Å
555T33.9Very low46.5Very low113 Ų113114.3 Ų114.369%0.69359%0.59SS**  trans-61.9113.9167.733.60000106.3K553 L557K553-T555 PolarHBondContact O-N 3.44Å; T555-L557 PolarHBondContact O-N 3.05Å
556K29.8Very low49.5Very low195 Ų195107.8 Ų107.885%0.84855%0.549SS*.  trans-60.683.2175.4-72.1176.8175.81790109.1P554 S558P554-K556 PolarHBondContact O-N 2.62Å; P554-K556 VanDerWaalsContact O-N 3.13Å; K556-S558 PolarHBondContact O-N 2.84Å
557L38.4Very low52.2Low119 Ų119104.8 Ų104.862%0.62353%0.528SS*.  trans-78.159.6163.9-78.2154.9000107.9T555 C559T555-L557 PolarHBondContact O-N 3.05Å; L557-C559 PolarHBondContact O-N 2.89Å; L557-C559 VanDerWaalsContact O-N 3.16Å
558S44.1Very low55Low101 Ų10195.6 Ų95.671%0.70649%0.489SS*.  trans-84.148.9167.463.60000109K556K556-S558 PolarHBondContact O-N 2.84Å
559C59.1Low57.8Low53 Ų5390.1 Ų90.136%0.35846%0.46SS..  trans-87.2131.7174.191.70000108.1L557L557-C559 PolarHBondContact O-N 2.89Å; L557-C559 VanDerWaalsContact O-N 3.16Å
560H72.2Confident60.8Low48 Ų4882.1 Ų82.122%0.22242%0.417CS..  trans-57.1140.2172.2-164.7-87.2000109.2E532 L562 S563 H598E532-H560 IonicContact OE1-NE2 2.76Å; H560-L562 PolarHBondContact ND1-N 2.93Å; H560-L562 PolarHBondContact O-N 3.08Å; H560-L562 VanDerWaalsContact O-N 3.09Å; H560-S563 WeakPolarHBondContact O-CB 3.26Å; H560-S563 PolarHBondContact O-N 3.32Å; H560-H598 WeakPolarHBondContact CB-O 3.33Å; H560-H598 AromaticContact CD2-ND1 3.88Å; H560-H598 AromaticContact CE1-ND1 3.65Å; H560-H598 AromaticContact NE2-ND1 3.2Å; H560-H598 PolarHBondContact NE2-ND1 2.93Å; H560-H598 VanDerWaalsContact NE2-ND1 3.2Å
561P81.1Confident63.4Low40 Ų4075.5 Ų75.526%0.2640%0.401SS..Hα-helixtrans-55.4-33.1-176.921.1-34000112.7A531 L535 S563 L564 V565A531-P561 HydrophobicContact CB-CB 4.28Å; A531-P561 HydrophobicContact CB-CG 4.14Å; L535-P561 HydrophobicContact CB-CB 4.38Å; L535-P561 HydrophobicContact CD1-CB 3.93Å; P561-S563 VanDerWaalsContact C-N 3.31Å; P561-S563 PolarHBondContact O-N 3.35Å; P561-L564 WeakPolarHBondContact O-CB 3.47Å; P561-L564 PolarHBondContact O-N 3.29Å; P561-L564 VanDerWaalsContact O-N 3.14Å; P561-V565 PolarHBondContact O-N 3.09Å; P561-V565 VanDerWaalsContact O-N 3.15Å
562L84.7Confident66.1Low4 Ų470.8 Ų70.82%0.02138%0.381CS..Hα-helixtrans-63.1-31.9173.9-69.5176.8000114.2V528 A531 H560 L564 V565 W566 L593 H598 I599V528-L562 HydrophobicContact CB-CD1 4.12Å; V528-L562 HydrophobicContact CG2-CD1 3.39Å; A531-L562 HydrophobicContact CB-CD2 3.5Å; A531-L562 VanDerWaalsContact CB-CD2 3.5Å; A531-L562 HydrophobicContact CB-CG 3.75Å; H560-L562 PolarHBondContact ND1-N 2.93Å; H560-L562 PolarHBondContact O-N 3.08Å; H560-L562 VanDerWaalsContact O-N 3.09Å; L562-L564 PolarHBondContact O-N 3.43Å; L562-V565 PolarHBondContact O-N 3.21Å; L562-V565 VanDerWaalsContact O-N 3.13Å; L562-W566 HydrophobicContact CB-CE3 4.39Å; L562-W566 HydrophobicContact CB-CZ3 4.49Å; L562-W566 HydrophobicContact CD2-CE3 4.32Å; L562-W566 HydrophobicContact CD2-CZ3 3.66Å; L562-W566 PolarHBondContact O-N 3.15Å; L562-L593 HydrophobicContact CD1-CD2 3.73Å; L562-H598 HydrophobicContact CD1-CB 4.05Å; L562-I599 HydrophobicContact CB-CD1 4.23Å; L562-I599 HydrophobicContact CB-CG1 4.12Å
563S85Confident68.7Low9 Ų963.1 Ų63.16%0.06334%0.344CS..Hα-helixtrans-61.9-34.2175.3-171.20000111.3H560 P561 S567 N603H560-S563 WeakPolarHBondContact O-CB 3.26Å; H560-S563 PolarHBondContact O-N 3.32Å; P561-S563 VanDerWaalsContact C-N 3.31Å; P561-S563 PolarHBondContact O-N 3.35Å; S563-S567 WeakPolarHBondContact O-CB 3.45Å; S563-S567 PolarHBondContact O-N 3.34Å; S563-S567 PolarHBondContact O-OG 3.44Å; S563-S567 VanDerWaalsContact O-OG 3.1Å; S563-N603 WeakPolarHBondContact OG-CB 3.43Å; S563-N603 PolarHBondContact OG-ND2 2.95Å
564L85.6Confident71.3Confident79 Ų7954.8 Ų54.841%0.41431%0.308SS..Hα-helixtrans-74-36.9174.7-172.664.4000111.5T496 P561 L562 S567 N568T496-L564 HydrophobicContact CG2-CB 4.48Å; T496-L564 HydrophobicContact CG2-CD2 4.38Å; T496-L564 HydrophobicContact CG2-CG 3.96Å; P561-L564 WeakPolarHBondContact O-CB 3.47Å; P561-L564 PolarHBondContact O-N 3.29Å; P561-L564 VanDerWaalsContact O-N 3.14Å; L562-L564 PolarHBondContact O-N 3.43Å; L564-S567 WeakPolarHBondContact CA-OG 3.33Å; L564-S567 PolarHBondContact O-OG 3.49Å; L564-S567 VanDerWaalsContact O-OG 3.06Å; L564-N568 WeakPolarHBondContact O-CB 3.4Å; L564-N568 PolarHBondContact O-N 3.25Å
565V87.6Confident73.5Confident1 Ų153.3 Ų53.31%0.00630%0.3CS..Hα-helixtrans-61.3-48.1174.1177.80000110.7T496 L499 A500 L535 P561 L562 N568 L569T496-V565 HydrophobicContact CG2-CB 4.29Å; T496-V565 HydrophobicContact CG2-CG2 3.87Å; L499-V565 HydrophobicContact CB-CG1 4.11Å; L499-V565 HydrophobicContact CB-CG2 4.25Å; L499-V565 HydrophobicContact CD1-CG2 4.35Å; A500-V565 HydrophobicContact CB-CG1 4.22Å; L535-V565 HydrophobicContact CD1-CG2 3.61Å; P561-V565 PolarHBondContact O-N 3.09Å; P561-V565 VanDerWaalsContact O-N 3.15Å; L562-V565 PolarHBondContact O-N 3.21Å; L562-V565 VanDerWaalsContact O-N 3.13Å; V565-N568 PolarHBondContact O-N 3.05Å; V565-L569 VanDerWaalsContact O-CB 3.23Å; V565-L569 WeakPolarHBondContact O-CB 3.27Å; V565-L569 PolarHBondContact O-N 3.24Å
566W89.1Confident75.3Confident2 Ų252.5 Ų52.51%0.00829%0.294CS..Hα-helixtrans-70.5-39.9-179.6-97.9-108.1000112.8V503 L527 L562 N568 L569 L570 L593 I599 F604V503-W566 HydrophobicContact CG1-CH2 4.13Å; V503-W566 HydrophobicContact CG1-CZ2 3.97Å; V503-W566 HydrophobicContact CG2-CH2 3.72Å; V503-W566 HydrophobicContact CG2-CZ2 4.4Å; V503-W566 HydrophobicContact CG2-CZ3 4.13Å; L527-W566 HydrophobicContact CD1-CH2 4.09Å; L562-W566 HydrophobicContact CB-CE3 4.39Å; L562-W566 HydrophobicContact CB-CZ3 4.49Å; L562-W566 HydrophobicContact CD2-CE3 4.32Å; L562-W566 HydrophobicContact CD2-CZ3 3.66Å; L562-W566 PolarHBondContact O-N 3.15Å; W566-N568 VanDerWaalsContact C-N 3.3Å; W566-N568 PolarHBondContact O-N 3.04Å; W566-L569 PolarHBondContact O-N 3.49Å; W566-L570 WeakPolarHBondContact O-CB 3.48Å; W566-L570 VanDerWaalsContact O-CG 3.25Å; W566-L570 WeakPolarHBondContact O-CG 3.44Å; W566-L570 PolarHBondContact O-N 3.01Å; W566-L593 HydrophobicContact CD2-CD1 4.33Å; W566-L593 HydrophobicContact CE3-CD1 4.35Å; W566-L593 HydrophobicContact CH2-CD1 3.19Å; W566-L593 HydrophobicContact CZ2-CD1 3.13Å; W566-L593 HydrophobicContact CZ3-CD1 3.86Å; W566-I599 HydrophobicContact CB-CD1 4.02Å; W566-I599 HydrophobicContact CD2-CD1 3.47Å; W566-I599 VanDerWaalsContact CD2-CD1 3.47Å; W566-I599 HydrophobicContact CE3-CD1 3.78Å; W566-I599 HydrophobicContact CG-CD1 3.58Å; W566-F604 AromaticContact CD1-CD2 3.77Å; W566-F604 AromaticContact CD1-CE2 3.78Å
567S86.5Confident77Confident36 Ų3644.9 Ų44.925%0.25227%0.265SS..Hα-helixtrans-62.5-41.5175.265.50000111S563 L564 S571S563-S567 WeakPolarHBondContact O-CB 3.45Å; S563-S567 PolarHBondContact O-N 3.34Å; S563-S567 PolarHBondContact O-OG 3.44Å; S563-S567 VanDerWaalsContact O-OG 3.1Å; L564-S567 WeakPolarHBondContact CA-OG 3.33Å; L564-S567 PolarHBondContact O-OG 3.49Å; L564-S567 VanDerWaalsContact O-OG 3.06Å; S567-S571 WeakPolarHBondContact O-CB 2.95Å; S567-S571 PolarHBondContact O-N 3.4Å; S567-S571 PolarHBondContact O-OG 3.26Å
568N85.9Confident78.3Confident14 Ų1448.8 Ų48.88%0.07528%0.279CS..Hα-helixtrans-68-41.7175.4-167.864.8000112.5T496 E497 L564 V565 W566 K572 T573T496-N568 HydrophobicContact CG2-CB 4.02Å; E497-N568 WeakPolarHBondContact CG-ND2 3.19Å; L564-N568 WeakPolarHBondContact O-CB 3.4Å; L564-N568 PolarHBondContact O-N 3.25Å; V565-N568 PolarHBondContact O-N 3.05Å; W566-N568 VanDerWaalsContact C-N 3.3Å; W566-N568 PolarHBondContact O-N 3.04Å; N568-K572 WeakPolarHBondContact O-CA 3.38Å; N568-K572 WeakPolarHBondContact O-CB 3.44Å; N568-K572 PolarHBondContact O-N 3.4Å; N568-K572 VanDerWaalsContact OD1-CD 3.28Å; N568-K572 WeakPolarHBondContact OD1-CD 3.39Å; N568-K572 PolarHBondContact OD1-NZ 3.12Å; N568-T573 PolarHBondContact O-N 3.23Å; N568-T573 PolarHBondContact O-OG1 3.24Å
569L89.1Confident79.6Confident0 Ų045.5 Ų45.50%025%0.254CS..Iπ-helixtrans-57-51.5175.7-177.5150.5000110.8A500 V503 L504 V565 W566 T573 L574 L586A500-L569 HydrophobicContact CB-CB 3.85Å; A500-L569 HydrophobicContact CB-CD1 4.34Å; A500-L569 HydrophobicContact CB-CG 4.41Å; A500-L569 WeakPolarHBondContact O-CD1 3.36Å; V503-L569 HydrophobicContact CB-CD1 3.75Å; V503-L569 HydrophobicContact CG1-CD1 3.62Å; L504-L569 HydrophobicContact CD2-CD1 4.03Å; L504-L569 HydrophobicContact CD2-CD2 4.1Å; L504-L569 HydrophobicContact CD2-CG 4.05Å; L504-L569 HydrophobicContact CG-CD1 4.03Å; L504-L569 HydrophobicContact CG-CG 4.19Å; V565-L569 VanDerWaalsContact O-CB 3.23Å; V565-L569 WeakPolarHBondContact O-CB 3.27Å; V565-L569 PolarHBondContact O-N 3.24Å; W566-L569 PolarHBondContact O-N 3.49Å; L569-T573 PolarHBondContact O-N 2.98Å; L569-L574 HydrophobicContact CD2-CD1 3.93Å; L569-L574 HydrophobicContact CD2-CG 3.93Å; L569-L574 WeakPolarHBondContact O-CB 3.44Å; L569-L574 WeakPolarHBondContact O-CG 3.5Å; L569-L574 PolarHBondContact O-N 3.21Å; L569-L586 HydrophobicContact CD2-CD1 4.29Å; L569-L586 HydrophobicContact CD2-CD2 4.22Å
570L87.1Confident80.5Confident2 Ų247.6 Ų47.61%0.0127%0.265CS..Iπ-helixtrans-74.5-36.7-174.7-65174.2000113.1W566 L574 F604 P607 L608 H613 L616W566-L570 WeakPolarHBondContact O-CB 3.48Å; W566-L570 VanDerWaalsContact O-CG 3.25Å; W566-L570 WeakPolarHBondContact O-CG 3.44Å; W566-L570 PolarHBondContact O-N 3.01Å; L570-L574 HydrophobicContact CD2-CD1 3.72Å; L570-F604 HydrophobicContact CD1-CD2 3.89Å; L570-F604 HydrophobicContact CD1-CE2 3.77Å; L570-F604 HydrophobicContact CD1-CZ 4.39Å; L570-P607 HydrophobicContact CB-CB 3.77Å; L570-P607 HydrophobicContact CB-CG 4.34Å; L570-P607 HydrophobicContact CD1-CB 4.32Å; L570-P607 HydrophobicContact CD1-CG 4.38Å; L570-L608 HydrophobicContact CD1-CD1 4.35Å; L570-L608 HydrophobicContact CD1-CD2 4.39Å; L570-L608 HydrophobicContact CD1-CG 4.2Å; L570-L608 HydrophobicContact CD2-CD2 4.15Å; L570-H613 PolarHBondContact O-NE2 2.64Å; L570-L616 HydrophobicContact CD2-CD2 3.73Å
571S85.3Confident81.1Confident61 Ų6147 Ų4743%0.42726%0.261SS..Iπ-helixtrans-86.8-37.5-175.963.90000114S567 C575S567-S571 WeakPolarHBondContact O-CB 2.95Å; S567-S571 PolarHBondContact O-N 3.4Å; S567-S571 PolarHBondContact O-OG 3.26Å; S571-C575 PolarHBondContact O-SG 3.07Å; S571-C575 VanDerWaalsContact O-SG 3.35Å
572K84.1Confident81.5Confident122 Ų12246.2 Ų46.253%0.5326%0.256SS..Iπ-helixtrans-114.8-55.3-173.1-55.6-168.6-161157.40112.1N568 C575 V576N568-K572 WeakPolarHBondContact O-CA 3.38Å; N568-K572 WeakPolarHBondContact O-CB 3.44Å; N568-K572 PolarHBondContact O-N 3.4Å; N568-K572 VanDerWaalsContact OD1-CD 3.28Å; N568-K572 WeakPolarHBondContact OD1-CD 3.39Å; N568-K572 PolarHBondContact OD1-NZ 3.12Å; K572-C575 PolarHBondContact O-N 3.33Å; K572-V576 VanDerWaalsContact O-CG2 3.3Å; K572-V576 WeakPolarHBondContact O-CG2 3.45Å; K572-V576 PolarHBondContact O-N 3.48Å
573T81Confident81.7Confident14 Ų1449.6 Ų49.69%0.08627%0.271CS..Iπ-helixtrans-65.5-49.6-168-44.70000111.4V501 L504 N568 L569 C575 V576 T577V501-T573 HydrophobicContact CG2-CG2 3.82Å; L504-T573 HydrophobicContact CD1-CG2 3.39Å; N568-T573 PolarHBondContact O-N 3.23Å; N568-T573 PolarHBondContact O-OG1 3.24Å; L569-T573 PolarHBondContact O-N 2.98Å; T573-C575 PolarHBondContact O-N 2.9Å; T573-V576 PolarHBondContact O-N 2.72Å; T573-V576 VanDerWaalsContact O-N 3.07Å; T573-T577 HydrophobicContact CG2-CG2 3.84Å; T573-T577 WeakPolarHBondContact O-CG2 3.42Å; T573-T577 PolarHBondContact O-N 2.82Å; T573-T577 PolarHBondContact O-OG1 3.35Å
574L79.4Confident81.9Confident16 Ų1651.2 Ų51.28%0.08428%0.282CS..Hα-helixtrans-59.7-28.6177.7-77.8-175.5000114L504 L569 L570 Y581 L586 H613L504-L574 HydrophobicContact CD1-CD2 4.11Å; L504-L574 HydrophobicContact CD2-CD2 3.31Å; L504-L574 HydrophobicContact CD2-CG 4.13Å; L504-L574 HydrophobicContact CG-CD2 4.36Å; L569-L574 HydrophobicContact CD2-CD1 3.93Å; L569-L574 HydrophobicContact CD2-CG 3.93Å; L569-L574 WeakPolarHBondContact O-CB 3.44Å; L569-L574 WeakPolarHBondContact O-CG 3.5Å; L569-L574 PolarHBondContact O-N 3.21Å; L570-L574 HydrophobicContact CD2-CD1 3.72Å; L574-Y581 HydrophobicContact CD2-CD1 3.86Å; L574-Y581 HydrophobicContact CD2-CE1 3.24Å; L574-Y581 HydrophobicContact CD2-CE2 4.14Å; L574-Y581 VanDerWaalsContact CD2-CZ 3.4Å; L574-L586 HydrophobicContact CD1-CD2 4.3Å; L574-H613 VanDerWaalsContact CB-CE1 3.46Å; L574-H613 WeakPolarHBondContact CB-CE1 3.24Å
575C74.1Confident82.1Confident90 Ų9051.1 Ų51.161%0.60828%0.278SS*.Hα-helixtrans-79.9-25.7179.4-60.10000112.5S571 K572 T573S571-C575 PolarHBondContact O-SG 3.07Å; S571-C575 VanDerWaalsContact O-SG 3.35Å; K572-C575 PolarHBondContact O-N 3.33Å; T573-C575 PolarHBondContact O-N 2.9Å
576V71.7Confident82.3Confident96 Ų9651 Ų5158%0.58228%0.278SS*.Hα-helixtrans-99.2-33.3-173.7175.20000111.9K572 T573K572-V576 VanDerWaalsContact O-CG2 3.3Å; K572-V576 WeakPolarHBondContact O-CG2 3.45Å; K572-V576 PolarHBondContact O-N 3.48Å; T573-V576 PolarHBondContact O-N 2.72Å; T573-V576 VanDerWaalsContact O-N 3.07Å
577T65.7Low82.4Confident36 Ų3651 Ų5122%0.22128%0.278CS..  trans-80.3130.1-176.254.70000112L504 T573 L579L504-T577 HydrophobicContact CD1-CG2 4.37Å; T573-T577 HydrophobicContact CG2-CG2 3.84Å; T573-T577 WeakPolarHBondContact O-CG2 3.42Å; T573-T577 PolarHBondContact O-N 2.82Å; T573-T577 PolarHBondContact O-OG1 3.35Å; T577-L579 PolarHBondContact O-N 2.65Å
578Q66.1Low82.5Confident200 Ų20052.5 Ų52.594%0.93528%0.28SS*.  trans-78.917.8168.7-63.1-170.7-6.800113.2
579L70.1Confident82.7Confident33 Ų3352.1 Ų52.117%0.17328%0.278CS..  trans-77.2130.2-176.6-171.168000110.5L504 E508 T577L504-L579 HydrophobicContact CB-CD2 4.03Å; E508-L579 HydrophobicContact CB-CD2 4.39Å; E508-L579 HydrophobicContact CG-CD1 4.2Å; E508-L579 WeakPolarHBondContact OE1-CD1 3.3Å; T577-L579 PolarHBondContact O-N 2.65Å
580T78.7Confident82.8Confident96 Ų9652.1 Ų52.159%0.58928%0.278SS*.  trans-80.8115.4169.548.70000109.5
581Y85.9Confident82.9Confident36 Ų3652 Ų5214%0.14128%0.278CS..BIsolated β-bridgetrans-125.3151.5179.271.4-82.1000110.8L574 K583 L586L574-Y581 HydrophobicContact CD2-CD1 3.86Å; L574-Y581 HydrophobicContact CD2-CE1 3.24Å; L574-Y581 HydrophobicContact CD2-CE2 4.14Å; L574-Y581 VanDerWaalsContact CD2-CZ 3.4Å; Y581-K583 HydrophobicContact CE2-CG 3.89Å; Y581-K583 PolarHBondContact O-N 2.94Å; Y581-L586 HydrophobicContact CD2-CB 4.36Å; Y581-L586 HydrophobicContact CD2-CD2 4.22Å; Y581-L586 HydrophobicContact CE2-CB 4.37Å; Y581-L586 HydrophobicContact CE2-CD2 3.67Å
582S89.4Confident83.1Confident23 Ų2349.2 Ų49.216%0.16126%0.258CS..  trans-77.6112.4174.8179.70000110.3C507 S584 K585 L586C507-S582 PolarHBondContact O-N 3.04Å; S582-S584 PolarHBondContact O-N 3.44Å; S582-K585 PolarHBondContact O-N 2.9Å; S582-K585 VanDerWaalsContact O-N 3.16Å; S582-K585 PolarHBondContact OG-N 3.25Å; S582-L586 PolarHBondContact O-N 3.08Å
583K88.4Confident83.3Confident76 Ų7643.4 Ų43.433%0.3323%0.232SC..Hα-helixtrans-58.3-32.6172.1-66.9-179.8-178.8174.40112.2Y581 A587 H614 L619Y581-K583 HydrophobicContact CE2-CG 3.89Å; Y581-K583 PolarHBondContact O-N 2.94Å; K583-A587 WeakPolarHBondContact O-CB 3.39Å; K583-A587 PolarHBondContact O-N 3.16Å; K583-H614 PolarHBondContact NZ-O 3.42Å; K583-L619 HydrophobicContact CB-CD1 3.92Å
584S89.7Confident83.8Confident42 Ų4243 Ų4329%0.29423%0.23SC..Hα-helixtrans-67.2-41.6176.5-176.70000111.8S582 A587 F588 R623S582-S584 PolarHBondContact O-N 3.44Å; S584-A587 PolarHBondContact O-N 2.8Å; S584-F588 WeakPolarHBondContact O-CB 3.46Å; S584-F588 PolarHBondContact O-N 2.75Å; S584-R623 PolarHBondContact OG-NH2 2.95Å; S584-R623 VanDerWaalsContact OG-NH2 3.13Å
585K89.4Confident84.1Confident77 Ų7744.6 Ų44.634%0.33524%0.235SC..Hα-helixtrans-64.8-44.1175.3-68.3-176.9-178-178.10111.3C507 E508 S582 A587 F588 L589C507-K585 HydrophobicContact CB-CB 4.29Å; E508-K585 PolarHBondContact O-NZ 3.35Å; E508-K585 VanDerWaalsContact O-NZ 3.07Å; S582-K585 PolarHBondContact O-N 2.9Å; S582-K585 VanDerWaalsContact O-N 3.16Å; S582-K585 PolarHBondContact OG-N 3.25Å; K585-A587 VanDerWaalsContact C-N 3.32Å; K585-A587 PolarHBondContact O-N 3.39Å; K585-F588 WeakPolarHBondContact O-CB 3.37Å; K585-F588 PolarHBondContact O-N 3.07Å; K585-L589 PolarHBondContact O-N 2.88Å
586L90.6Very high84.7Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-62.5-41176.5-176.362.4000111.6V503 L569 L574 Y581 S582 F588 S590 L616V503-L586 HydrophobicContact CG1-CD1 4.17Å; L569-L586 HydrophobicContact CD2-CD1 4.29Å; L569-L586 HydrophobicContact CD2-CD2 4.22Å; L574-L586 HydrophobicContact CD1-CD2 4.3Å; Y581-L586 HydrophobicContact CD2-CB 4.36Å; Y581-L586 HydrophobicContact CD2-CD2 4.22Å; Y581-L586 HydrophobicContact CE2-CB 4.37Å; Y581-L586 HydrophobicContact CE2-CD2 3.67Å; S582-L586 PolarHBondContact O-N 3.08Å; L586-F588 VanDerWaalsContact C-N 3.32Å; L586-F588 PolarHBondContact O-N 3.28Å; L586-S590 WeakPolarHBondContact O-CB 3.17Å; L586-S590 PolarHBondContact O-N 3.25Å; L586-S590 PolarHBondContact O-OG 3.06Å; L586-L616 HydrophobicContact CB-CD1 4.19Å; L586-L616 HydrophobicContact CD2-CD1 4.02Å; L586-L616 HydrophobicContact CD2-CD2 3.73Å; L586-L616 HydrophobicContact CG-CD1 4.09Å; L586-L616 HydrophobicContact CG-CD2 4.46Å
587A91.6Very high85.4Confident0 Ų044.9 Ų44.90%022%0.22CC..Hα-helixtrans-62.3-39.8174.900000112.4K583 S584 K585 S590 A591 L616 L619 V620 R623K583-A587 WeakPolarHBondContact O-CB 3.39Å; K583-A587 PolarHBondContact O-N 3.16Å; S584-A587 PolarHBondContact O-N 2.8Å; K585-A587 VanDerWaalsContact C-N 3.32Å; K585-A587 PolarHBondContact O-N 3.39Å; A587-S590 VanDerWaalsContact CA-OG 3.28Å; A587-S590 WeakPolarHBondContact CA-OG 3.24Å; A587-S590 PolarHBondContact O-OG 3.29Å; A587-S590 VanDerWaalsContact O-OG 3.04Å; A587-A591 WeakPolarHBondContact O-CB 3.37Å; A587-A591 PolarHBondContact O-N 2.91Å; A587-L616 HydrophobicContact CB-CD1 4.11Å; A587-L619 HydrophobicContact CB-CB 3.5Å; A587-V620 HydrophobicContact CB-CG2 4.04Å; A587-R623 HydrophobicContact CB-CG 4.39Å
588F89.6Confident86.2Confident69 Ų6945.5 Ų45.530%0.30322%0.221SC..Hα-helixtrans-65.1-47.8178.7-167.4-118.9000111.9P520 S584 K585 L586 A591 A592 R623P520-F588 HydrophobicContact CB-CD1 3.72Å; P520-F588 HydrophobicContact CB-CE1 3.32Å; P520-F588 HydrophobicContact CB-CE2 4.37Å; P520-F588 HydrophobicContact CB-CG 4.43Å; P520-F588 HydrophobicContact CB-CZ 3.69Å; P520-F588 HydrophobicContact CG-CD1 4.3Å; P520-F588 HydrophobicContact CG-CE1 3.44Å; P520-F588 VanDerWaalsContact CG-CE1 3.44Å; P520-F588 HydrophobicContact CG-CE2 4.12Å; P520-F588 HydrophobicContact CG-CZ 3.33Å; S584-F588 WeakPolarHBondContact O-CB 3.46Å; S584-F588 PolarHBondContact O-N 2.75Å; K585-F588 WeakPolarHBondContact O-CB 3.37Å; K585-F588 PolarHBondContact O-N 3.07Å; L586-F588 VanDerWaalsContact C-N 3.32Å; L586-F588 PolarHBondContact O-N 3.28Å; F588-A591 PolarHBondContact O-N 3.1Å; F588-A592 PolarHBondContact O-N 2.69Å; F588-A592 VanDerWaalsContact O-N 3.1Å; F588-R623 HydrophobicContact CD2-CG 4.3Å
589L89.4Confident87.2Confident6 Ų636.1 Ų36.13%0.03118%0.177CC..Hα-helixtrans-64.4-43.5176.2-72.1174.4000112.9L506 L523 K585 A592 L593L506-L589 HydrophobicContact CD2-CD1 3.83Å; L506-L589 HydrophobicContact CG-CD1 4.37Å; L523-L589 HydrophobicContact CB-CD2 3.53Å; L523-L589 HydrophobicContact CD1-CD2 3.74Å; L523-L589 HydrophobicContact CG-CD2 4.24Å; K585-L589 PolarHBondContact O-N 2.88Å; L589-A592 PolarHBondContact O-N 3.43Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.31Å; L589-L593 VanDerWaalsContact O-N 3.13Å
590S91.5Very high88.2Confident0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-66-39.6178.148.50000112.1L586 A587 A592 L593 I594 V620L586-S590 WeakPolarHBondContact O-CB 3.17Å; L586-S590 PolarHBondContact O-N 3.25Å; L586-S590 PolarHBondContact O-OG 3.06Å; A587-S590 VanDerWaalsContact CA-OG 3.28Å; A587-S590 WeakPolarHBondContact CA-OG 3.24Å; A587-S590 PolarHBondContact O-OG 3.29Å; A587-S590 VanDerWaalsContact O-OG 3.04Å; S590-A592 PolarHBondContact O-N 3.37Å; S590-L593 PolarHBondContact O-N 3.46Å; S590-I594 WeakPolarHBondContact O-CD1 3.48Å; S590-I594 VanDerWaalsContact O-CG1 3.23Å; S590-I594 WeakPolarHBondContact O-CG1 3.37Å; S590-I594 PolarHBondContact O-N 3.31Å; S590-V620 WeakPolarHBondContact OG-CG2 3.48Å
591A90.2Very high88.6Confident0 Ų032.7 Ų32.70%016%0.158CC..Hα-helixtrans-61.3-43.1174.900000111.8A587 F588 L593 I594 W595 V620 R623 L624 I627A587-A591 WeakPolarHBondContact O-CB 3.37Å; A587-A591 PolarHBondContact O-N 2.91Å; F588-A591 PolarHBondContact O-N 3.1Å; A591-L593 PolarHBondContact O-N 3.14Å; A591-I594 PolarHBondContact O-N 3.03Å; A591-W595 WeakPolarHBondContact O-CB 3.18Å; A591-W595 PolarHBondContact O-N 3.45Å; A591-V620 HydrophobicContact CB-CG1 4.19Å; A591-R623 HydrophobicContact CB-CB 3.6Å; A591-L624 HydrophobicContact CB-CD2 3.97Å; A591-L624 HydrophobicContact CB-CG 3.82Å; A591-L624 VanDerWaalsContact O-CD2 3.24Å; A591-L624 WeakPolarHBondContact O-CD2 3.46Å; A591-I627 HydrophobicContact CB-CD1 3.59Å
592A88.6Confident88.8Confident1 Ų132.3 Ų32.31%0.00816%0.161CC..Hα-helixtrans-61-41.9176.300000112.8P520 A524 F588 L589 S590 W595 S596 I627P520-A592 HydrophobicContact CB-CB 3.9Å; A524-A592 HydrophobicContact CB-CB 4.03Å; F588-A592 PolarHBondContact O-N 2.69Å; F588-A592 VanDerWaalsContact O-N 3.1Å; L589-A592 PolarHBondContact O-N 3.43Å; S590-A592 PolarHBondContact O-N 3.37Å; A592-W595 PolarHBondContact O-N 2.88Å; A592-S596 WeakPolarHBondContact O-CB 3.47Å; A592-S596 PolarHBondContact O-N 3.11Å; A592-S596 PolarHBondContact O-OG 3Å; A592-S596 VanDerWaalsContact O-OG 3.11Å; A592-I627 HydrophobicContact CB-CD1 4.26Å
593L89.3Confident88.7Confident0 Ų033.7 Ų33.70%017%0.167CC..Hα-helixtrans-70.2-32.6178.1-72.9170.6000114A524 V528 L562 W566 L589 S590 A591 S596 R597 H598 I599A524-L593 HydrophobicContact CB-CD2 3.69Å; A524-L593 HydrophobicContact CB-CG 4.03Å; V528-L593 HydrophobicContact CG2-CD2 3.9Å; L562-L593 HydrophobicContact CD1-CD2 3.73Å; W566-L593 HydrophobicContact CD2-CD1 4.33Å; W566-L593 HydrophobicContact CE3-CD1 4.35Å; W566-L593 HydrophobicContact CH2-CD1 3.19Å; W566-L593 HydrophobicContact CZ2-CD1 3.13Å; W566-L593 HydrophobicContact CZ3-CD1 3.86Å; L589-L593 WeakPolarHBondContact O-CG 3.49Å; L589-L593 PolarHBondContact O-N 3.31Å; L589-L593 VanDerWaalsContact O-N 3.13Å; S590-L593 PolarHBondContact O-N 3.46Å; A591-L593 PolarHBondContact O-N 3.14Å; L593-S596 WeakPolarHBondContact CA-OG 3.4Å; L593-S596 PolarHBondContact O-OG 2.98Å; L593-R597 PolarHBondContact O-N 3.48Å; L593-H598 HydrophobicContact CD2-CB 4.35Å; L593-H598 PolarHBondContact O-N 2.91Å; L593-I599 HydrophobicContact CB-CD1 3.95Å; L593-I599 HydrophobicContact CB-CG1 4.26Å; L593-I599 HydrophobicContact CD1-CD1 3.86Å; L593-I599 PolarHBondContact O-N 3.04Å
594I90.1Very high88.7Confident5 Ų530.1 Ų30.13%0.02615%0.151CC..Hα-helixtrans-70.9-42.6173.8-68163.1000109.6S590 A591 R597 I599 L601 F604 V620 L624S590-I594 WeakPolarHBondContact O-CD1 3.48Å; S590-I594 VanDerWaalsContact O-CG1 3.23Å; S590-I594 WeakPolarHBondContact O-CG1 3.37Å; S590-I594 PolarHBondContact O-N 3.31Å; A591-I594 PolarHBondContact O-N 3.03Å; I594-R597 PolarHBondContact O-N 2.96Å; I594-I599 WeakPolarHBondContact CA-O 3.47Å; I594-I599 HydrophobicContact CG1-CB 4.34Å; I594-I599 HydrophobicContact CG1-CG2 4.49Å; I594-L601 HydrophobicContact CD1-CD1 4.14Å; I594-L601 HydrophobicContact CG2-CB 4.38Å; I594-F604 HydrophobicContact CD1-CB 4.12Å; I594-F604 HydrophobicContact CD1-CD1 4.08Å; I594-F604 HydrophobicContact CD1-CD2 4.48Å; I594-F604 HydrophobicContact CD1-CG 3.96Å; I594-V620 HydrophobicContact CD1-CG1 3.73Å; I594-L624 HydrophobicContact CB-CD2 4.18Å; I594-L624 HydrophobicContact CD1-CD1 4.47Å; I594-L624 HydrophobicContact CG2-CD1 4.05Å; I594-L624 HydrophobicContact CG2-CD2 4.09Å
595W86.8Confident88.6Confident51 Ų5128.1 Ų28.119%0.19314%0.137CC..Hα-helixtrans-59.6-48.8177.1179.5-116.6000112.1A591 A592 R597 L624 I627 I628 D631 L649 L653A591-W595 WeakPolarHBondContact O-CB 3.18Å; A591-W595 PolarHBondContact O-N 3.45Å; A592-W595 PolarHBondContact O-N 2.88Å; W595-R597 PolarHBondContact O-N 3.07Å; W595-L624 HydrophobicContact CB-CD2 4.37Å; W595-I627 HydrophobicContact CB-CG2 4.05Å; W595-I627 HydrophobicContact CD2-CG2 4.33Å; W595-I627 HydrophobicContact CG-CG2 3.76Å; W595-I628 HydrophobicContact CE3-CG1 3.75Å; W595-I628 HydrophobicContact CH2-CB 4.35Å; W595-I628 HydrophobicContact CH2-CG1 4Å; W595-I628 HydrophobicContact CH2-CG2 3.98Å; W595-I628 HydrophobicContact CZ3-CB 4.3Å; W595-I628 HydrophobicContact CZ3-CD1 4.3Å; W595-I628 HydrophobicContact CZ3-CG1 3.47Å; W595-I628 VanDerWaalsContact CZ3-CG1 3.47Å; W595-I628 HydrophobicContact CZ3-CG2 4.18Å; W595-D631 VanDerWaalsContact CE2-OD2 3.27Å; W595-D631 WeakPolarHBondContact CZ2-OD2 3.21Å; W595-D631 PolarHBondContact NE1-OD2 3.48Å; W595-L649 HydrophobicContact CH2-CD2 3.3Å; W595-L649 HydrophobicContact CH2-CG 4.49Å; W595-L649 HydrophobicContact CZ3-CD2 3.41Å; W595-L649 VanDerWaalsContact CZ3-CD2 3.41Å; W595-L649 HydrophobicContact CZ3-CG 4.18Å; W595-L653 HydrophobicContact CE3-CD1 4.38Å; W595-L653 HydrophobicContact CZ3-CD1 4.37Å
596S85.4Confident88.5Confident50 Ų5029.1 Ų29.135%0.3514%0.143SC..THydrogen-bonded Turntrans-72.16.9176.367.70000113.9A592 L593 H598A592-S596 WeakPolarHBondContact O-CB 3.47Å; A592-S596 PolarHBondContact O-N 3.11Å; A592-S596 PolarHBondContact O-OG 3Å; A592-S596 VanDerWaalsContact O-OG 3.11Å; L593-S596 WeakPolarHBondContact CA-OG 3.4Å; L593-S596 PolarHBondContact O-OG 2.98Å; S596-H598 VanDerWaalsContact C-N 3.26Å; S596-H598 PolarHBondContact O-N 3.48Å; S596-H598 PolarHBondContact OG-CD2 3.34Å
597R86.2Confident88.3Confident142 Ų14230.4 Ų30.454%0.53615%0.151SC..THydrogen-bonded Turntrans60.224177.2-54.6-69.2-173.8138.3-1.1115.1L593 I594 W595 E656L593-R597 PolarHBondContact O-N 3.48Å; I594-R597 PolarHBondContact O-N 2.96Å; W595-R597 PolarHBondContact O-N 3.07Å; R597-E656 IonicContact CZ-OE2 3.48Å; R597-E656 IonicContact NH1-OE2 3.5Å; R597-E656 PolarHBondContact NH1-OE2 3.37Å
598H82.4Confident88.1Confident49 Ų4930.4 Ų30.423%0.22715%0.152CC..SBendtrans-82.6-24.8173.7-66.9-61.8000112.8V528 H560 L562 L593 S596V528-H598 HydrophobicContact CG2-CB 4.22Å; V528-H598 WeakPolarHBondContact CG2-CD2 3.46Å; V528-H598 VanDerWaalsContact CG2-NE2 3.33Å; V528-H598 WeakPolarHBondContact CG2-NE2 3.24Å; H560-H598 WeakPolarHBondContact CB-O 3.33Å; H560-H598 AromaticContact CD2-ND1 3.88Å; H560-H598 AromaticContact CE1-ND1 3.65Å; H560-H598 AromaticContact NE2-ND1 3.2Å; H560-H598 PolarHBondContact NE2-ND1 2.93Å; H560-H598 VanDerWaalsContact NE2-ND1 3.2Å; L562-H598 HydrophobicContact CD1-CB 4.05Å; L593-H598 HydrophobicContact CD2-CB 4.35Å; L593-H598 PolarHBondContact O-N 2.91Å; S596-H598 VanDerWaalsContact C-N 3.26Å; S596-H598 PolarHBondContact O-N 3.48Å; S596-H598 PolarHBondContact OG-CD2 3.34Å
599I88.6Confident88Confident3 Ų332.7 Ų32.72%0.01516%0.158CC..SBendtrans-129.7128.8176-57.4177.4000107.7L562 W566 L593 I594 F604L562-I599 HydrophobicContact CB-CD1 4.23Å; L562-I599 HydrophobicContact CB-CG1 4.12Å; W566-I599 HydrophobicContact CB-CD1 4.02Å; W566-I599 HydrophobicContact CD2-CD1 3.47Å; W566-I599 VanDerWaalsContact CD2-CD1 3.47Å; W566-I599 HydrophobicContact CE3-CD1 3.78Å; W566-I599 HydrophobicContact CG-CD1 3.58Å; L593-I599 HydrophobicContact CB-CD1 3.95Å; L593-I599 HydrophobicContact CB-CG1 4.26Å; L593-I599 HydrophobicContact CD1-CD1 3.86Å; L593-I599 PolarHBondContact O-N 3.04Å; I594-I599 WeakPolarHBondContact CA-O 3.47Å; I594-I599 HydrophobicContact CG1-CB 4.34Å; I594-I599 HydrophobicContact CG1-CG2 4.49Å; I599-F604 HydrophobicContact CG2-CB 4.05Å
600S89.6Confident87.7Confident48 Ų4834.2 Ų34.234%0.33618%0.176SC..  trans-75.3145.5172.363.60000110.4S602 N603 F604S600-S602 WeakPolarHBondContact CB-OG 3.37Å; S600-S602 PolarHBondContact O-N 3.23Å; S600-S602 PolarHBondContact OG-OG 2.97Å; S600-N603 PolarHBondContact O-N 3.47Å; S600-N603 VanDerWaalsContact O-N 3.17Å; S600-N603 WeakPolarHBondContact OG-CB 3.39Å; S600-N603 PolarHBondContact OG-N 3.15Å; S600-N603 PolarHBondContact OG-ND2 2.77Å; S600-N603 PolarHBondContact OG-OD1 3.16Å; S600-F604 PolarHBondContact O-N 3.32Å
601L88.4Confident87.2Confident8 Ų834.9 Ų34.94%0.04218%0.182CC..Hα-helixtrans-59-32.3175.7-17762.6000111.5I594 F604 G605 F617 L621 F654 L659I594-L601 HydrophobicContact CD1-CD1 4.14Å; I594-L601 HydrophobicContact CG2-CB 4.38Å; L601-F604 PolarHBondContact O-N 2.86Å; L601-G605 PolarHBondContact O-N 2.63Å; L601-F617 HydrophobicContact CD1-CE2 4.01Å; L601-L621 HydrophobicContact CD1-CD2 4.46Å; L601-L621 HydrophobicContact CD2-CD2 4.4Å; L601-F654 HydrophobicContact CD2-CD2 4.07Å; L601-L659 HydrophobicContact CG-CD1 4.38Å; L601-L659 WeakPolarHBondContact O-CD1 3.22Å
602S89.2Confident87Confident29 Ų2941.2 Ų41.220%0.20321%0.21CC..Hα-helixtrans-60.4-52.5173.253.90000112.5S600 F604 G605 E606S600-S602 WeakPolarHBondContact CB-OG 3.37Å; S600-S602 PolarHBondContact O-N 3.23Å; S600-S602 PolarHBondContact OG-OG 2.97Å; S602-F604 VanDerWaalsContact C-N 3.26Å; S602-F604 PolarHBondContact O-N 3.34Å; S602-G605 PolarHBondContact O-N 3.31Å; S602-E606 WeakPolarHBondContact O-CG 3.41Å; S602-E606 PolarHBondContact O-N 3.26Å
603N87.5Confident86.8Confident52 Ų5243.3 Ų43.328%0.27822%0.219SC..Hα-helixtrans-66-31.2-179.3-67.1-1.8000112S563 S600 P607S563-N603 WeakPolarHBondContact OG-CB 3.43Å; S563-N603 PolarHBondContact OG-ND2 2.95Å; S600-N603 PolarHBondContact O-N 3.47Å; S600-N603 VanDerWaalsContact O-N 3.17Å; S600-N603 WeakPolarHBondContact OG-CB 3.39Å; S600-N603 PolarHBondContact OG-N 3.15Å; S600-N603 PolarHBondContact OG-ND2 2.77Å; S600-N603 PolarHBondContact OG-OD1 3.16Å; N603-P607 VanDerWaalsContact O-CD 3.29Å; N603-P607 WeakPolarHBondContact O-CD 3.28Å
604F89.1Confident86.8Confident1 Ų146.5 Ų46.50%0.00423%0.234CC..Hα-helixtrans-74-39.8174.5179.6-95.6000112.6W566 L570 I594 I599 S600 L601 S602 P607 L608 L616 F617 V620W566-F604 AromaticContact CD1-CD2 3.77Å; W566-F604 AromaticContact CD1-CE2 3.78Å; L570-F604 HydrophobicContact CD1-CD2 3.89Å; L570-F604 HydrophobicContact CD1-CE2 3.77Å; L570-F604 HydrophobicContact CD1-CZ 4.39Å; I594-F604 HydrophobicContact CD1-CB 4.12Å; I594-F604 HydrophobicContact CD1-CD1 4.08Å; I594-F604 HydrophobicContact CD1-CD2 4.48Å; I594-F604 HydrophobicContact CD1-CG 3.96Å; I599-F604 HydrophobicContact CG2-CB 4.05Å; S600-F604 PolarHBondContact O-N 3.32Å; L601-F604 PolarHBondContact O-N 2.86Å; S602-F604 VanDerWaalsContact C-N 3.26Å; S602-F604 PolarHBondContact O-N 3.34Å; F604-P607 WeakPolarHBondContact O-CD 3.34Å; F604-L608 HydrophobicContact CD1-CD1 4.03Å; F604-L608 HydrophobicContact CE1-CD1 3.4Å; F604-L608 HydrophobicContact CZ-CD1 3.68Å; F604-L616 HydrophobicContact CZ-CD2 4.48Å; F604-L616 HydrophobicContact CZ-CG 4.46Å; F604-F617 HydrophobicContact CD1-CD2 4.38Å; F604-F617 HydrophobicContact CE1-CD2 4.28Å; F604-V620 HydrophobicContact CE1-CB 4.03Å; F604-V620 HydrophobicContact CE1-CG1 4.06Å; F604-V620 HydrophobicContact CE1-CG2 3.43Å; F604-V620 VanDerWaalsContact CE1-CG2 3.43Å; F604-V620 HydrophobicContact CZ-CB 4.41Å; F604-V620 HydrophobicContact CZ-CG1 4.47Å; F604-V620 HydrophobicContact CZ-CG2 3.4Å
605G87.3Confident86.8Confident0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-76.5-32.4-177.400000113.9L601 S602 L608 R609 M664L601-G605 PolarHBondContact O-N 2.63Å; S602-G605 PolarHBondContact O-N 3.31Å; G605-L608 WeakPolarHBondContact O-CA 3.29Å; G605-L608 PolarHBondContact O-N 3.28Å; G605-R609 PolarHBondContact O-N 2.85Å; G605-M664 WeakPolarHBondContact O-CE 3.46Å
606E87.7Confident87Confident97 Ų9745.2 Ų45.245%0.45323%0.233SC..G310 helixtrans-50.8-48.2-179.2-84.9174.4-172.400114.7S602 L608 R609S602-E606 WeakPolarHBondContact O-CG 3.41Å; S602-E606 PolarHBondContact O-N 3.26Å; E606-L608 PolarHBondContact O-N 3.14Å; E606-R609 WeakPolarHBondContact O-CG 3.48Å; E606-R609 PolarHBondContact O-N 3.19Å
607P86.4Confident87.4Confident27 Ų2743.2 Ų43.218%0.17522%0.218CC..G310 helixtrans-65.9-21.7175.6-22.633.9000114.8L570 N603 F604L570-P607 HydrophobicContact CB-CB 3.77Å; L570-P607 HydrophobicContact CB-CG 4.34Å; L570-P607 HydrophobicContact CD1-CB 4.32Å; L570-P607 HydrophobicContact CD1-CG 4.38Å; N603-P607 VanDerWaalsContact O-CD 3.29Å; N603-P607 WeakPolarHBondContact O-CD 3.28Å; F604-P607 WeakPolarHBondContact O-CD 3.34Å
608L87.8Confident87.7Confident1 Ų136.6 Ų36.61%0.00519%0.193CC..G310 helixtrans-93.30.6-174.9-62.1177.4000113.4L570 F604 G605 E606 G611 K612 H613 L616 F617 M664L570-L608 HydrophobicContact CD1-CD1 4.35Å; L570-L608 HydrophobicContact CD1-CD2 4.39Å; L570-L608 HydrophobicContact CD1-CG 4.2Å; L570-L608 HydrophobicContact CD2-CD2 4.15Å; F604-L608 HydrophobicContact CD1-CD1 4.03Å; F604-L608 HydrophobicContact CE1-CD1 3.4Å; F604-L608 HydrophobicContact CZ-CD1 3.68Å; G605-L608 WeakPolarHBondContact O-CA 3.29Å; G605-L608 PolarHBondContact O-N 3.28Å; E606-L608 PolarHBondContact O-N 3.14Å; L608-G611 PolarHBondContact O-N 3.42Å; L608-K612 WeakPolarHBondContact CD2-O 3.43Å; L608-K612 PolarHBondContact O-N 2.98Å; L608-H613 HydrophobicContact CD2-CB 3.94Å; L608-L616 HydrophobicContact CD1-CD2 4.35Å; L608-L616 HydrophobicContact CD2-CD2 4.19Å; L608-F617 HydrophobicContact CD1-CB 4.03Å; L608-F617 HydrophobicContact CD1-CD2 4.31Å; L608-M664 HydrophobicContact CB-CE 3.64Å
609R86.4Confident88.2Confident116 Ų11635.7 Ų35.744%0.43819%0.189SC..THydrogen-bonded Turntrans-54.3143.2176.5-72.8-178.2179.8162.23.7112.3G605 E606 K612 M664G605-R609 PolarHBondContact O-N 2.85Å; E606-R609 WeakPolarHBondContact O-CG 3.48Å; E606-R609 PolarHBondContact O-N 3.19Å; R609-K612 WeakPolarHBondContact O-CG 3.48Å; R609-M664 HydrophobicContact CG-SD 4.02Å
610G82.6Confident88.4Confident39 Ų3935.5 Ų35.540%0.40219%0.189SC..THydrogen-bonded Turntrans77.217.2-177.600000114.2K612 Q663G610-K612 VanDerWaalsContact C-N 3.35Å; G610-Q663 PolarHBondContact N-O 3.05Å
611G82.2Confident88.5Confident13 Ų1333.2 Ų33.213%0.13417%0.173CC..THydrogen-bonded Turntrans75.421.6-178.600000114.1L608 H613 H614L608-G611 PolarHBondContact O-N 3.42Å; G611-H613 PolarHBondContact O-N 2.87Å; G611-H614 WeakPolarHBondContact O-CB 3.28Å; G611-H614 PolarHBondContact O-N 2.72Å; G611-H614 VanDerWaalsContact O-N 3.1Å
612K85.2Confident88.7Confident134 Ų13434.7 Ų34.758%0.58318%0.179SC*.THydrogen-bonded Turntrans-60.5135.9172.5-70.3176.1-176.6175.50109.6L608 R609 G610 H614L608-K612 WeakPolarHBondContact CD2-O 3.43Å; L608-K612 PolarHBondContact O-N 2.98Å; R609-K612 WeakPolarHBondContact O-CG 3.48Å; G610-K612 VanDerWaalsContact C-N 3.35Å; K612-H614 PolarHBondContact O-N 2.71Å; K612-H614 VanDerWaalsContact O-N 3.17Å
613H85Confident88.7Confident45 Ų4536.7 Ų36.721%0.20818%0.182CC..THydrogen-bonded Turntrans56.523.4-174.6-54.4-62.8000114.6L570 L574 L608 G611 L616L570-H613 PolarHBondContact O-NE2 2.64Å; L574-H613 VanDerWaalsContact CB-CE1 3.46Å; L574-H613 WeakPolarHBondContact CB-CE1 3.24Å; L608-H613 HydrophobicContact CD2-CB 3.94Å; G611-H613 PolarHBondContact O-N 2.87Å; H613-L616 HydrophobicContact CB-CB 4.25Å; H613-L616 HydrophobicContact CB-CD2 4.28Å; H613-L616 WeakPolarHBondContact O-CB 3.5Å; H613-L616 PolarHBondContact O-N 2.93Å
614H88.6Confident88.8Confident66 Ų6634.3 Ų34.331%0.30617%0.169SC..THydrogen-bonded Turntrans-50137.1174.2-179.387.1000111.1K583 G611 K612 P666K583-H614 PolarHBondContact NZ-O 3.42Å; G611-H614 WeakPolarHBondContact O-CB 3.28Å; G611-H614 PolarHBondContact O-N 2.72Å; G611-H614 VanDerWaalsContact O-N 3.1Å; K612-H614 PolarHBondContact O-N 2.71Å; K612-H614 VanDerWaalsContact O-N 3.17Å; H614-P666 HydrophobicContact CB-CG 3.79Å; H614-P666 WeakPolarHBondContact ND1-CD 3.48Å
615P90.3Very high88.7Confident29 Ų2936 Ų3619%0.18818%0.181CC..THydrogen-bonded Turncis-95.627.55.438.3-36.7000115.2F617 L618 L619P615-F617 PolarHBondContact O-N 2.76Å; P615-L618 PolarHBondContact O-N 2.96Å; P615-L618 VanDerWaalsContact O-N 3.13Å; P615-L619 HydrophobicContact CG-CD1 4.14Å; P615-L619 HydrophobicContact CG-CG 4.31Å; P615-L619 WeakPolarHBondContact O-CG 3.27Å; P615-L619 PolarHBondContact O-N 3.31Å
616L91.4Very high88.5Confident0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-52.3-48.6-170.9-179.863.5000113.8L570 L586 A587 F604 L608 H613 L618 L619 V620L570-L616 HydrophobicContact CD2-CD2 3.73Å; L586-L616 HydrophobicContact CB-CD1 4.19Å; L586-L616 HydrophobicContact CD2-CD1 4.02Å; L586-L616 HydrophobicContact CD2-CD2 3.73Å; L586-L616 HydrophobicContact CG-CD1 4.09Å; L586-L616 HydrophobicContact CG-CD2 4.46Å; A587-L616 HydrophobicContact CB-CD1 4.11Å; F604-L616 HydrophobicContact CZ-CD2 4.48Å; F604-L616 HydrophobicContact CZ-CG 4.46Å; L608-L616 HydrophobicContact CD1-CD2 4.35Å; L608-L616 HydrophobicContact CD2-CD2 4.19Å; H613-L616 HydrophobicContact CB-CB 4.25Å; H613-L616 HydrophobicContact CB-CD2 4.28Å; H613-L616 WeakPolarHBondContact O-CB 3.5Å; H613-L616 PolarHBondContact O-N 2.93Å; L616-L618 VanDerWaalsContact C-N 3.35Å; L616-L618 PolarHBondContact O-N 3.23Å; L616-L619 WeakPolarHBondContact O-CB 3.36Å; L616-L619 PolarHBondContact O-N 3.12Å; L616-L619 VanDerWaalsContact O-N 3.16Å; L616-V620 HydrophobicContact CD1-CG2 4.41Å; L616-V620 HydrophobicContact CG-CG2 4.45Å; L616-V620 WeakPolarHBondContact O-CG2 3.12Å; L616-V620 PolarHBondContact O-N 3.07Å
617F93.5Very high87.9Confident8 Ų836.1 Ų36.14%0.03518%0.182CC..Hα-helixtrans-58.5-44.5-179.9-178.3-105.6000112.5L601 F604 L608 P615 L619 V620 L621 F654 L659 M661 M664L601-F617 HydrophobicContact CD1-CE2 4.01Å; F604-F617 HydrophobicContact CD1-CD2 4.38Å; F604-F617 HydrophobicContact CE1-CD2 4.28Å; L608-F617 HydrophobicContact CD1-CB 4.03Å; L608-F617 HydrophobicContact CD1-CD2 4.31Å; P615-F617 PolarHBondContact O-N 2.76Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.25Å; F617-V620 WeakPolarHBondContact O-CB 3.49Å; F617-V620 PolarHBondContact O-N 2.81Å; F617-L621 HydrophobicContact CD1-CD1 4.02Å; F617-L621 HydrophobicContact CE1-CD1 3.53Å; F617-L621 HydrophobicContact CE1-CG 4.22Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.43Å; F617-L621 HydrophobicContact CZ-CG 4.33Å; F617-L621 PolarHBondContact O-N 3Å; F617-F654 HydrophobicContact CZ-CE2 4.36Å; F617-L659 HydrophobicContact CE2-CD1 4.25Å; F617-L659 HydrophobicContact CZ-CD1 4.35Å; F617-M661 HydrophobicContact CE1-SD 4Å; F617-M664 HydrophobicContact CB-CE 4.3Å; F617-M664 HydrophobicContact CD1-CB 3.64Å; F617-M664 HydrophobicContact CD1-CE 4.09Å; F617-M664 HydrophobicContact CD1-CG 4.13Å; F617-M664 HydrophobicContact CD2-CE 3.58Å; F617-M664 HydrophobicContact CE1-CB 3.56Å; F617-M664 HydrophobicContact CE1-CE 4.29Å; F617-M664 HydrophobicContact CE1-CG 3.67Å; F617-M664 HydrophobicContact CE2-CE 3.82Å; F617-M664 HydrophobicContact CE2-CG 4.41Å; F617-M664 HydrophobicContact CG-CB 4.35Å; F617-M664 HydrophobicContact CG-CE 3.72Å; F617-M664 HydrophobicContact CZ-CB 4.24Å; F617-M664 HydrophobicContact CZ-CE 4.17Å; F617-M664 HydrophobicContact CZ-CG 3.83Å
618L92.7Very high86.7Confident3 Ų335.6 Ų35.62%0.01618%0.178CC..Hα-helixtrans-66-38.6177.2-62.3-178.9000111.5P615 L616 V620 L621 Q622 M661 L678 L679 L684P615-L618 PolarHBondContact O-N 2.96Å; P615-L618 VanDerWaalsContact O-N 3.13Å; L616-L618 VanDerWaalsContact C-N 3.35Å; L616-L618 PolarHBondContact O-N 3.23Å; L618-V620 VanDerWaalsContact C-N 3.29Å; L618-V620 PolarHBondContact O-N 3.01Å; L618-L621 HydrophobicContact CD2-CD1 4.44Å; L618-L621 PolarHBondContact O-N 3.08Å; L618-Q622 WeakPolarHBondContact O-CG 3.42Å; L618-Q622 PolarHBondContact O-N 2.94Å; L618-M661 HydrophobicContact CD2-SD 4.33Å; L618-L678 HydrophobicContact CD1-CD1 4.45Å; L618-L678 HydrophobicContact CD1-CD2 3.97Å; L618-L678 HydrophobicContact CD1-CG 4.07Å; L618-L679 HydrophobicContact CD2-CD2 3.87Å; L618-L684 HydrophobicContact CD2-CD1 4.31Å
619L91.9Very high85.2Confident30 Ų3037.9 Ų37.916%0.15719%0.194CC..Hα-helixtrans-61.6-39.1174.1-67.8174.3000111.4K583 A587 P615 L616 F617 Q622 R623K583-L619 HydrophobicContact CB-CD1 3.92Å; A587-L619 HydrophobicContact CB-CB 3.5Å; P615-L619 HydrophobicContact CG-CD1 4.14Å; P615-L619 HydrophobicContact CG-CG 4.31Å; P615-L619 WeakPolarHBondContact O-CG 3.27Å; P615-L619 PolarHBondContact O-N 3.31Å; L616-L619 WeakPolarHBondContact O-CB 3.36Å; L616-L619 PolarHBondContact O-N 3.12Å; L616-L619 VanDerWaalsContact O-N 3.16Å; F617-L619 VanDerWaalsContact C-N 3.35Å; F617-L619 PolarHBondContact O-N 3.25Å; L619-Q622 PolarHBondContact O-N 3.35Å; L619-R623 WeakPolarHBondContact O-CG 3.05Å; L619-R623 PolarHBondContact O-N 3.17Å
620V93.2Very high83.5Confident0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-62.4-45175.8-177.40000110.3A587 S590 A591 I594 F604 L616 F617 L618 Q622 R623 L624A587-V620 HydrophobicContact CB-CG2 4.04Å; S590-V620 WeakPolarHBondContact OG-CG2 3.48Å; A591-V620 HydrophobicContact CB-CG1 4.19Å; I594-V620 HydrophobicContact CD1-CG1 3.73Å; F604-V620 HydrophobicContact CE1-CB 4.03Å; F604-V620 HydrophobicContact CE1-CG1 4.06Å; F604-V620 HydrophobicContact CE1-CG2 3.43Å; F604-V620 VanDerWaalsContact CE1-CG2 3.43Å; F604-V620 HydrophobicContact CZ-CB 4.41Å; F604-V620 HydrophobicContact CZ-CG1 4.47Å; F604-V620 HydrophobicContact CZ-CG2 3.4Å; L616-V620 HydrophobicContact CD1-CG2 4.41Å; L616-V620 HydrophobicContact CG-CG2 4.45Å; L616-V620 WeakPolarHBondContact O-CG2 3.12Å; L616-V620 PolarHBondContact O-N 3.07Å; F617-V620 WeakPolarHBondContact O-CB 3.49Å; F617-V620 PolarHBondContact O-N 2.81Å; L618-V620 VanDerWaalsContact C-N 3.29Å; L618-V620 PolarHBondContact O-N 3.01Å; V620-Q622 VanDerWaalsContact C-N 3.35Å; V620-Q622 PolarHBondContact O-N 3.47Å; V620-R623 PolarHBondContact O-N 3.43Å; V620-L624 HydrophobicContact CG1-CD1 4.08Å; V620-L624 HydrophobicContact CG1-CG 4.38Å; V620-L624 WeakPolarHBondContact O-CB 3.45Å; V620-L624 WeakPolarHBondContact O-CG 3.32Å; V620-L624 PolarHBondContact O-N 3.15Å
621L92.3Very high81.6Confident0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-62.7-40.3176.3-66.7177.7000112.4L601 F617 L618 R623 L624 S625 L650 M661 L684 L687L601-L621 HydrophobicContact CD1-CD2 4.46Å; L601-L621 HydrophobicContact CD2-CD2 4.4Å; F617-L621 HydrophobicContact CD1-CD1 4.02Å; F617-L621 HydrophobicContact CE1-CD1 3.53Å; F617-L621 HydrophobicContact CE1-CG 4.22Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.43Å; F617-L621 HydrophobicContact CZ-CG 4.33Å; F617-L621 PolarHBondContact O-N 3Å; L618-L621 HydrophobicContact CD2-CD1 4.44Å; L618-L621 PolarHBondContact O-N 3.08Å; L621-R623 VanDerWaalsContact C-N 3.34Å; L621-L624 HydrophobicContact CD2-CD1 4.41Å; L621-L624 PolarHBondContact O-N 3.28Å; L621-S625 PolarHBondContact O-N 3.14Å; L621-L650 HydrophobicContact CD2-CD1 4.48Å; L621-M661 HydrophobicContact CD1-CE 3.71Å; L621-M661 HydrophobicContact CD1-SD 4.32Å; L621-L684 HydrophobicContact CB-CD1 3.75Å; L621-L684 HydrophobicContact CB-CD2 4.16Å; L621-L684 HydrophobicContact CD1-CD1 4.34Å; L621-L687 HydrophobicContact CD1-CD1 3.89Å
622Q91.4Very high79.8Confident38 Ų3844.5 Ų44.518%0.17824%0.235CC..Hα-helixtrans-65.2-36174.2-70.9-175.3-62.600112.4L618 L619 V620 S625 Q626 R682 L684L618-Q622 WeakPolarHBondContact O-CG 3.42Å; L618-Q622 PolarHBondContact O-N 2.94Å; L619-Q622 PolarHBondContact O-N 3.35Å; V620-Q622 VanDerWaalsContact C-N 3.35Å; V620-Q622 PolarHBondContact O-N 3.47Å; Q622-S625 PolarHBondContact O-OG 3.21Å; Q622-Q626 WeakPolarHBondContact O-CG 3.2Å; Q622-Q626 PolarHBondContact O-N 3.05Å; Q622-R682 HydrophobicContact CG-CB 4.37Å; Q622-R682 VanDerWaalsContact NE2-CB 3.34Å; Q622-R682 PolarHBondContact NE2-O 2.92Å; Q622-L684 HydrophobicContact CG-CD1 3.85Å; Q622-L684 HydrophobicContact CG-CD2 4.32Å; Q622-L684 HydrophobicContact CG-CG 4.05Å
623R90.3Very high77.6Confident72 Ų7242.7 Ų42.727%0.27224%0.239SC..Hα-helixtrans-74.8-36.4174.8-67-51-177.7173.80.9111.9S584 A587 F588 A591 L619 V620 L621 S625 Q626 I627S584-R623 PolarHBondContact OG-NH2 2.95Å; S584-R623 VanDerWaalsContact OG-NH2 3.13Å; A587-R623 HydrophobicContact CB-CG 4.39Å; F588-R623 HydrophobicContact CD2-CG 4.3Å; A591-R623 HydrophobicContact CB-CB 3.6Å; L619-R623 WeakPolarHBondContact O-CG 3.05Å; L619-R623 PolarHBondContact O-N 3.17Å; V620-R623 PolarHBondContact O-N 3.43Å; L621-R623 VanDerWaalsContact C-N 3.34Å; R623-S625 VanDerWaalsContact C-N 3.34Å; R623-S625 PolarHBondContact O-N 2.93Å; R623-Q626 CarbonylContact O-C 3.48Å; R623-Q626 WeakPolarHBondContact O-CB 3.39Å; R623-Q626 PolarHBondContact O-N 3.45Å; R623-Q626 VanDerWaalsContact O-N 3.13Å; R623-I627 VanDerWaalsContact O-CG1 3.31Å; R623-I627 WeakPolarHBondContact O-CG1 3.49Å; R623-I627 PolarHBondContact O-N 3.49Å
624L89Confident75.4Confident1 Ų148.7 Ų48.71%0.00527%0.273CS..Hα-helixtrans-60.6-44.6172-76.9170.6000110.8A591 I594 W595 V620 L621 Q626 I627 I628 L650A591-L624 HydrophobicContact CB-CD2 3.97Å; A591-L624 HydrophobicContact CB-CG 3.82Å; A591-L624 VanDerWaalsContact O-CD2 3.24Å; A591-L624 WeakPolarHBondContact O-CD2 3.46Å; I594-L624 HydrophobicContact CB-CD2 4.18Å; I594-L624 HydrophobicContact CD1-CD1 4.47Å; I594-L624 HydrophobicContact CG2-CD1 4.05Å; I594-L624 HydrophobicContact CG2-CD2 4.09Å; W595-L624 HydrophobicContact CB-CD2 4.37Å; V620-L624 HydrophobicContact CG1-CD1 4.08Å; V620-L624 HydrophobicContact CG1-CG 4.38Å; V620-L624 WeakPolarHBondContact O-CB 3.45Å; V620-L624 WeakPolarHBondContact O-CG 3.32Å; V620-L624 PolarHBondContact O-N 3.15Å; L621-L624 HydrophobicContact CD2-CD1 4.41Å; L621-L624 PolarHBondContact O-N 3.28Å; L624-Q626 PolarHBondContact O-N 3.44Å; L624-I627 PolarHBondContact O-N 3.37Å; L624-I628 WeakPolarHBondContact O-CD1 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.06Å; L624-I628 PolarHBondContact O-N 3.27Å; L624-I628 VanDerWaalsContact O-N 3.08Å; L624-L650 HydrophobicContact CB-CD1 3.86Å; L624-L650 HydrophobicContact CD1-CD1 4.22Å
625S86.6Confident73.2Confident36 Ų3650.4 Ų50.425%0.25229%0.288SS..Hα-helixtrans-61.4-27.8176.472.60000113.1L621 Q622 R623 S629L621-S625 PolarHBondContact O-N 3.14Å; Q622-S625 PolarHBondContact O-OG 3.21Å; R623-S625 VanDerWaalsContact C-N 3.34Å; R623-S625 PolarHBondContact O-N 2.93Å; S625-S629 PolarHBondContact O-OG 2.87Å
626Q83.5Confident70.5Confident92 Ų9256.6 Ų56.643%0.4332%0.32SS..Hα-helixtrans-81.2-45.3173.9-68.7169.510.500113.1Q622 R623 L624 I628 S629Q622-Q626 WeakPolarHBondContact O-CG 3.2Å; Q622-Q626 PolarHBondContact O-N 3.05Å; R623-Q626 CarbonylContact O-C 3.48Å; R623-Q626 WeakPolarHBondContact O-CB 3.39Å; R623-Q626 PolarHBondContact O-N 3.45Å; R623-Q626 VanDerWaalsContact O-N 3.13Å; L624-Q626 PolarHBondContact O-N 3.44Å; Q626-I628 VanDerWaalsContact C-N 3.33Å; Q626-I628 PolarHBondContact O-N 2.88Å; Q626-S629 WeakPolarHBondContact O-CA 3.49Å; Q626-S629 WeakPolarHBondContact O-CB 3.25Å; Q626-S629 PolarHBondContact O-N 3.38Å; Q626-S629 PolarHBondContact O-OG 3.29Å; Q626-S629 VanDerWaalsContact O-OG 3.04Å
627I75.3Confident67.8Low9 Ų961.3 Ų61.35%0.04635%0.351CS..Hα-helixtrans-64.4-37.9-177.3-70.8171.6000111.3A591 A592 W595 R623 L624 S629 E630A591-I627 HydrophobicContact CB-CD1 3.59Å; A592-I627 HydrophobicContact CB-CD1 4.26Å; W595-I627 HydrophobicContact CB-CG2 4.05Å; W595-I627 HydrophobicContact CD2-CG2 4.33Å; W595-I627 HydrophobicContact CG-CG2 3.76Å; R623-I627 VanDerWaalsContact O-CG1 3.31Å; R623-I627 WeakPolarHBondContact O-CG1 3.49Å; R623-I627 PolarHBondContact O-N 3.49Å; L624-I627 PolarHBondContact O-N 3.37Å; I627-S629 PolarHBondContact O-N 3.33Å; I627-E630 PolarHBondContact O-N 3.03Å
628I61.4Low65.2Low16 Ų1668.4 Ų68.48%0.08240%0.396CS..THydrogen-bonded Turntrans-58-13.4172.9-56.9161.3000110.9W595 L624 Q626 R646 L649 L650W595-I628 HydrophobicContact CE3-CG1 3.75Å; W595-I628 HydrophobicContact CH2-CB 4.35Å; W595-I628 HydrophobicContact CH2-CG1 4Å; W595-I628 HydrophobicContact CH2-CG2 3.98Å; W595-I628 HydrophobicContact CZ3-CB 4.3Å; W595-I628 HydrophobicContact CZ3-CD1 4.3Å; W595-I628 HydrophobicContact CZ3-CG1 3.47Å; W595-I628 VanDerWaalsContact CZ3-CG1 3.47Å; W595-I628 HydrophobicContact CZ3-CG2 4.18Å; L624-I628 WeakPolarHBondContact O-CD1 3.28Å; L624-I628 WeakPolarHBondContact O-CG1 3.06Å; L624-I628 PolarHBondContact O-N 3.27Å; L624-I628 VanDerWaalsContact O-N 3.08Å; Q626-I628 VanDerWaalsContact C-N 3.33Å; Q626-I628 PolarHBondContact O-N 2.88Å; I628-R646 HydrophobicContact CB-CG 4.46Å; I628-R646 HydrophobicContact CG2-CB 3.96Å; I628-R646 HydrophobicContact CG2-CG 3.88Å; I628-L649 HydrophobicContact CG2-CB 4.37Å; I628-L649 HydrophobicContact CG2-CD2 3.93Å; I628-L650 HydrophobicContact CD1-CB 3.84Å; I628-L650 HydrophobicContact CD1-CD1 4.22Å
629S56.4Low62.8Low48 Ų4871.4 Ų71.434%0.33642%0.417SS..THydrogen-bonded Turntrans-83.7-20.4176.4-46.80000115.8S625 Q626 I627S625-S629 PolarHBondContact O-OG 2.87Å; Q626-S629 WeakPolarHBondContact O-CA 3.49Å; Q626-S629 WeakPolarHBondContact O-CB 3.25Å; Q626-S629 PolarHBondContact O-N 3.38Å; Q626-S629 PolarHBondContact O-OG 3.29Å; Q626-S629 VanDerWaalsContact O-OG 3.04Å; I627-S629 PolarHBondContact O-N 3.33Å
630E50.6Low60.6Low134 Ų13472.6 Ų72.663%0.62644%0.437SS*.THydrogen-bonded Turntrans-94-19.9-168-99.1-171.1166.700115.9I627 G632I627-E630 PolarHBondContact O-N 3.03Å; E630-G632 VanDerWaalsContact C-N 3.28Å; E630-G632 PolarHBondContact O-N 2.94Å
631D42.4Very low58.4Low116 Ų11676 Ų7662%0.6247%0.465SS*.SBendtrans-71.881.8179.6-76-20000111.1W595W595-D631 VanDerWaalsContact CE2-OD2 3.27Å; W595-D631 WeakPolarHBondContact CZ2-OD2 3.21Å; W595-D631 PolarHBondContact NE1-OD2 3.48Å
632G44.4Very low56.6Low58 Ų5877.1 Ų77.160%0.59848%0.477SS*.SBendtrans159.993.3171.400000113.8E630E630-G632 VanDerWaalsContact C-N 3.28Å; E630-G632 PolarHBondContact O-N 2.94Å
633S40.4Very low55Low96 Ų9680.1 Ų80.167%0.67149%0.493SS*.  trans0.4127.2148.557.10000116.6T635S633-T635 PolarHBondContact O-N 3.47Å; S633-T635 PolarHBondContact O-OG1 2.96Å
634D37.5Very low53.8Low170 Ų17079.9 Ų79.991%0.90950%0.503SS*.SBendtrans-45.250.4177.6-63.3-53.1000118
635T41.8Very low52.9Low103 Ų10385.5 Ų85.563%0.63253%0.533SS*.  trans-106.782173.956.60000108.6S633 C637S633-T635 PolarHBondContact O-N 3.47Å; S633-T635 PolarHBondContact O-OG1 2.96Å; T635-C637 PolarHBondContact O-N 3.45Å; T635-C637 VanDerWaalsContact O-N 3.13Å; T635-C637 PolarHBondContact O-SG 3.09Å; T635-C637 VanDerWaalsContact O-SG 3.33Å
636N33.7Very low52.3Low158 Ų15887.6 Ų87.685%0.84554%0.535SS*.  trans30.875.6148.9-67.8-13.6000115.9
637C36.3Very low52.2Low99 Ų9988.8 Ų88.867%0.66954%0.536SS*.  trans-124.779.2164.6-65.30000109.1T635 S639T635-C637 PolarHBondContact O-N 3.45Å; T635-C637 VanDerWaalsContact O-N 3.13Å; T635-C637 PolarHBondContact O-SG 3.09Å; T635-C637 VanDerWaalsContact O-SG 3.33Å; C637-S639 WeakPolarHBondContact CB-OG 3.22Å; C637-S639 PolarHBondContact O-N 3.05Å
638T37.7Very low52.5Low157 Ų15790.7 Ų90.796%0.96355%0.55SS*.  trans-66.816158.645.50000112.4
639S43.2Very low53.5Low66 Ų6692.1 Ų92.146%0.46256%0.557SS.*  trans-94.2113.617727.10000108.9C637 A641 G642C637-S639 WeakPolarHBondContact CB-OG 3.22Å; C637-S639 PolarHBondContact O-N 3.05Å; S639-A641 PolarHBondContact O-N 3.36Å; S639-G642 PolarHBondContact O-N 3.49Å
640G45Very low55Low56 Ų5689.9 Ų89.958%0.57754%0.541SS*.THydrogen-bonded Turntrans-55.2-2.1172.800000115.4G642 L643G640-G642 PolarHBondContact O-N 3.21Å; G640-L643 PolarHBondContact O-N 2.9Å
641A47.2Very low56.6Low71 Ų7184.5 Ų84.559%0.58752%0.517SS*.Hα-helixtrans-50.4-37.7170.100000112.8S639 L643 S644 D645S639-A641 PolarHBondContact O-N 3.36Å; A641-L643 PolarHBondContact O-N 2.9Å; A641-S644 PolarHBondContact O-N 3.22Å; A641-D645 PolarHBondContact O-N 3.32Å
642G55.4Low58.7Low24 Ų2483.5 Ų83.525%0.24751%0.508CS..Hα-helixtrans-65.2-37.1179.600000113.7S639 G640 S644 D645 R646S639-G642 PolarHBondContact O-N 3.49Å; G640-G642 PolarHBondContact O-N 3.21Å; G642-S644 PolarHBondContact O-N 3.49Å; G642-D645 PolarHBondContact O-N 3.43Å; G642-R646 WeakPolarHBondContact O-CB 3.37Å; G642-R646 WeakPolarHBondContact O-CD 3.43Å; G642-R646 WeakPolarHBondContact O-CG 3.5Å; G642-R646 PolarHBondContact O-N 3.07Å
643L56.4Low60.6Low101 Ų10181.2 Ų81.253%0.52948%0.483SS..Hα-helixtrans-66.3-38.5-179.9-74.5172.3000112.7G640 A641 R647G640-L643 PolarHBondContact O-N 2.9Å; A641-L643 PolarHBondContact O-N 2.9Å; L643-R647 WeakPolarHBondContact O-CG 3.48Å; L643-R647 PolarHBondContact O-N 3.33Å
644S65.6Low62.9Low67 Ų6777.9 Ų77.947%0.46946%0.456SS..Hα-helixtrans-65.8-44.8176.4-168.60000110.7A641 G642 R646 R647 S648A641-S644 PolarHBondContact O-N 3.22Å; G642-S644 PolarHBondContact O-N 3.49Å; S644-R646 VanDerWaalsContact C-N 3.35Å; S644-R646 PolarHBondContact O-N 2.9Å; S644-R647 PolarHBondContact O-N 3.48Å; S644-S648 WeakPolarHBondContact O-CB 3.21Å; S644-S648 PolarHBondContact O-N 2.69Å; S644-S648 PolarHBondContact O-OG 3.03Å
645D70.9Confident65.1Low119 Ų11974.2 Ų74.264%0.63643%0.433SS*.Hα-helixtrans-63.4-41.3178.2-159.923.4000111.7A641 G642 R647 S648 L649A641-D645 PolarHBondContact O-N 3.32Å; G642-D645 PolarHBondContact O-N 3.43Å; D645-R647 PolarHBondContact O-N 3.1Å; D645-S648 WeakPolarHBondContact O-CB 3.44Å; D645-S648 PolarHBondContact O-N 3.45Å; D645-L649 PolarHBondContact O-N 2.99Å
646R73.2Confident67.2Low79 Ų7974 Ų7430%0.29843%0.425SS..Hα-helixtrans-58.8-49.3174.9-71160.4-169.6146.2-4.7112.9I628 G642 S644 S648 L649 L650I628-R646 HydrophobicContact CB-CG 4.46Å; I628-R646 HydrophobicContact CG2-CB 3.96Å; I628-R646 HydrophobicContact CG2-CG 3.88Å; G642-R646 WeakPolarHBondContact O-CB 3.37Å; G642-R646 WeakPolarHBondContact O-CD 3.43Å; G642-R646 WeakPolarHBondContact O-CG 3.5Å; G642-R646 PolarHBondContact O-N 3.07Å; S644-R646 VanDerWaalsContact C-N 3.35Å; S644-R646 PolarHBondContact O-N 2.9Å; R646-S648 VanDerWaalsContact C-N 3.35Å; R646-L649 PolarHBondContact O-N 3.14Å; R646-L650 PolarHBondContact O-N 3.19Å; R646-L650 VanDerWaalsContact O-N 3.13Å
647R81.6Confident69.7Low118 Ų11866.9 Ų66.945%0.44539%0.388SS..Hα-helixtrans-64.4-41.2177.7-75.5179.7171.5174.2-5111L643 S644 D645 L649 L650 I651 F686L643-R647 WeakPolarHBondContact O-CG 3.48Å; L643-R647 PolarHBondContact O-N 3.33Å; S644-R647 PolarHBondContact O-N 3.48Å; D645-R647 PolarHBondContact O-N 3.1Å; R647-L649 VanDerWaalsContact C-N 3.32Å; R647-L649 PolarHBondContact O-N 3.09Å; R647-L650 PolarHBondContact O-N 3.24Å; R647-I651 WeakPolarHBondContact O-CD1 3.32Å; R647-I651 WeakPolarHBondContact O-CG1 3.25Å; R647-I651 PolarHBondContact O-N 3.06Å; R647-F686 HydrophobicContact CB-CD2 4.04Å; R647-F686 HydrophobicContact CB-CE2 4.07Å; R647-F686 HydrophobicContact CG-CD1 4.27Å; R647-F686 HydrophobicContact CG-CD2 4Å; R647-F686 HydrophobicContact CG-CE1 4.18Å; R647-F686 HydrophobicContact CG-CE2 3.92Å; R647-F686 HydrophobicContact CG-CG 4.17Å; R647-F686 HydrophobicContact CG-CZ 4Å
648S80.5Confident72Confident49 Ų4970.2 Ų70.234%0.34339%0.393SS..Hα-helixtrans-59.3-42.6176.3-63.80000112S644 D645 R646 I651 Q652S644-S648 WeakPolarHBondContact O-CB 3.21Å; S644-S648 PolarHBondContact O-N 2.69Å; S644-S648 PolarHBondContact O-OG 3.03Å; D645-S648 WeakPolarHBondContact O-CB 3.44Å; D645-S648 PolarHBondContact O-N 3.45Å; R646-S648 VanDerWaalsContact C-N 3.35Å; S648-I651 WeakPolarHBondContact O-CB 3.34Å; S648-I651 PolarHBondContact O-N 3.11Å; S648-Q652 WeakPolarHBondContact O-CB 3.4Å; S648-Q652 PolarHBondContact O-N 3.36Å
649L84Confident74.3Confident46 Ų4663.1 Ų63.124%0.24135%0.349CS..Hα-helixtrans-68.1-37.7178.3-172.259000112.6W595 I628 D645 R646 R647 Q652 L653W595-L649 HydrophobicContact CH2-CD2 3.3Å; W595-L649 HydrophobicContact CH2-CG 4.49Å; W595-L649 HydrophobicContact CZ3-CD2 3.41Å; W595-L649 VanDerWaalsContact CZ3-CD2 3.41Å; W595-L649 HydrophobicContact CZ3-CG 4.18Å; I628-L649 HydrophobicContact CG2-CB 4.37Å; I628-L649 HydrophobicContact CG2-CD2 3.93Å; D645-L649 PolarHBondContact O-N 2.99Å; R646-L649 PolarHBondContact O-N 3.14Å; R647-L649 VanDerWaalsContact C-N 3.32Å; R647-L649 PolarHBondContact O-N 3.09Å; L649-Q652 PolarHBondContact O-N 3.42Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 WeakPolarHBondContact O-CG 3.33Å; L649-L653 PolarHBondContact O-N 3.35Å
650L87.5Confident76.2Confident0 Ų064.9 Ų64.90%035%0.35CS..Hα-helixtrans-66.7-39.7173.3-173.461.8000111.9L621 L624 I628 R646 R647 Q652 L653 F654 F686 L687L621-L650 HydrophobicContact CD2-CD1 4.48Å; L624-L650 HydrophobicContact CB-CD1 3.86Å; L624-L650 HydrophobicContact CD1-CD1 4.22Å; I628-L650 HydrophobicContact CD1-CB 3.84Å; I628-L650 HydrophobicContact CD1-CD1 4.22Å; R646-L650 PolarHBondContact O-N 3.19Å; R646-L650 VanDerWaalsContact O-N 3.13Å; R647-L650 PolarHBondContact O-N 3.24Å; L650-Q652 VanDerWaalsContact C-N 3.3Å; L650-Q652 PolarHBondContact O-N 3.16Å; L650-L653 PolarHBondContact O-N 3.48Å; L650-F654 WeakPolarHBondContact O-CB 3.32Å; L650-F654 PolarHBondContact O-N 2.68Å; L650-F686 HydrophobicContact CB-CE2 4.4Å; L650-F686 HydrophobicContact CD2-CE2 3.91Å; L650-F686 HydrophobicContact CD2-CZ 3.73Å; L650-F686 HydrophobicContact CG-CE2 4.5Å; L650-L687 HydrophobicContact CD2-CD1 4.45Å; L650-L687 HydrophobicContact CD2-CD2 4.12Å; L650-L687 HydrophobicContact CG-CD2 4.03Å
651I84.6Confident78.2Confident22 Ų2262.6 Ų62.611%0.11333%0.325CS..Hα-helixtrans-58.8-46173.7-70.3163000109.5R647 S648 F654 Q655 F686 L687 R735R647-I651 WeakPolarHBondContact O-CD1 3.32Å; R647-I651 WeakPolarHBondContact O-CG1 3.25Å; R647-I651 PolarHBondContact O-N 3.06Å; S648-I651 WeakPolarHBondContact O-CB 3.34Å; S648-I651 PolarHBondContact O-N 3.11Å; I651-F654 PolarHBondContact O-N 3.31Å; I651-Q655 HydrophobicContact CG2-CG 4.27Å; I651-Q655 WeakPolarHBondContact O-CB 3.46Å; I651-Q655 VanDerWaalsContact O-CG 3.25Å; I651-Q655 WeakPolarHBondContact O-CG 3.46Å; I651-Q655 PolarHBondContact O-N 2.69Å; I651-F686 HydrophobicContact CD1-CD2 4.2Å; I651-F686 HydrophobicContact CG1-CD2 4.11Å; I651-F686 HydrophobicContact CG1-CE2 4.49Å; I651-L687 HydrophobicContact CG1-CD2 4.31Å; I651-R735 HydrophobicContact CD1-CG 4.5Å
652Q85.1Confident79.9Confident94 Ų9462.3 Ų62.344%0.43931%0.314SS..Hα-helixtrans-61.4-48.5177-174.2-173.8-21.600111.6S648 L649 L650 F654 Q655 E656S648-Q652 WeakPolarHBondContact O-CB 3.4Å; S648-Q652 PolarHBondContact O-N 3.36Å; L649-Q652 PolarHBondContact O-N 3.42Å; L650-Q652 VanDerWaalsContact C-N 3.3Å; L650-Q652 PolarHBondContact O-N 3.16Å; Q652-F654 VanDerWaalsContact C-N 3.26Å; Q652-F654 PolarHBondContact O-N 3.43Å; Q652-Q655 PolarHBondContact O-N 3.15Å; Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.41Å; Q652-E656 PolarHBondContact NE2-OE1 2.98Å; Q652-E656 WeakPolarHBondContact O-CB 3.36Å; Q652-E656 VanDerWaalsContact O-CG 3.3Å; Q652-E656 WeakPolarHBondContact O-CG 3.22Å; Q652-E656 PolarHBondContact O-N 2.93Å
653L86Confident81.5Confident11 Ų1165.7 Ų65.76%0.05832%0.323CS..Hα-helixtrans-58.1-38.4176-77.7172.1000112.3W595 L649 L650 S657W595-L653 HydrophobicContact CE3-CD1 4.38Å; W595-L653 HydrophobicContact CZ3-CD1 4.37Å; L649-L653 WeakPolarHBondContact O-CB 3.49Å; L649-L653 WeakPolarHBondContact O-CG 3.33Å; L649-L653 PolarHBondContact O-N 3.35Å; L650-L653 PolarHBondContact O-N 3.48Å; L653-S657 PolarHBondContact O-N 3.06Å
654F87.6Confident82.9Confident25 Ų2561.1 Ų61.111%0.1130%0.299CS..Hα-helixtrans-70.7-43.7177.3-172.7-102.7000111.7L601 F617 L650 I651 Q652 E656 S657 L659 M661 L687L601-F654 HydrophobicContact CD2-CD2 4.07Å; F617-F654 HydrophobicContact CZ-CE2 4.36Å; L650-F654 WeakPolarHBondContact O-CB 3.32Å; L650-F654 PolarHBondContact O-N 2.68Å; I651-F654 PolarHBondContact O-N 3.31Å; Q652-F654 VanDerWaalsContact C-N 3.26Å; Q652-F654 PolarHBondContact O-N 3.43Å; F654-E656 PolarHBondContact O-N 3.3Å; F654-S657 WeakPolarHBondContact O-CB 3.38Å; F654-S657 PolarHBondContact O-N 3.39Å; F654-S657 VanDerWaalsContact O-N 3.09Å; F654-S657 PolarHBondContact O-OG 2.78Å; F654-L659 HydrophobicContact CE2-CB 4.41Å; F654-L659 WeakPolarHBondContact CZ-O 3.35Å; F654-M661 HydrophobicContact CE2-CE 3.89Å; F654-M661 HydrophobicContact CZ-CB 4.07Å; F654-M661 HydrophobicContact CZ-CE 3.91Å; F654-L687 HydrophobicContact CB-CD2 4.35Å
655Q84.6Confident84Confident93 Ų9358 Ų5844%0.43528%0.277SS..Hα-helixtrans-61.6-41.7175.1-72.8174.5-6.400111.9I651 Q652 S657 E658I651-Q655 HydrophobicContact CG2-CG 4.27Å; I651-Q655 WeakPolarHBondContact O-CB 3.46Å; I651-Q655 VanDerWaalsContact O-CG 3.25Å; I651-Q655 WeakPolarHBondContact O-CG 3.46Å; I651-Q655 PolarHBondContact O-N 2.69Å; Q652-Q655 PolarHBondContact O-N 3.15Å; Q655-S657 PolarHBondContact O-N 3.15Å; Q655-E658 PolarHBondContact O-N 3.33Å
656E85.4Confident84.7Confident99 Ų9953.9 Ų53.946%0.46326%0.257SS..Hα-helixtrans-60.5-25.9174.2-76.1173.9-165.800112.7R597 Q652 F654R597-E656 IonicContact CZ-OE2 3.48Å; R597-E656 IonicContact NH1-OE2 3.5Å; R597-E656 PolarHBondContact NH1-OE2 3.37Å; Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.41Å; Q652-E656 PolarHBondContact NE2-OE1 2.98Å; Q652-E656 WeakPolarHBondContact O-CB 3.36Å; Q652-E656 VanDerWaalsContact O-CG 3.3Å; Q652-E656 WeakPolarHBondContact O-CG 3.22Å; Q652-E656 PolarHBondContact O-N 2.93Å; F654-E656 PolarHBondContact O-N 3.3Å
657S86.3Confident84.9Confident8 Ų857.7 Ų57.76%0.05628%0.278CS..THydrogen-bonded Turntrans-81.8-16.2-178.180.30000114.2L653 F654 Q655 L659L653-S657 PolarHBondContact O-N 3.06Å; F654-S657 WeakPolarHBondContact O-CB 3.38Å; F654-S657 PolarHBondContact O-N 3.39Å; F654-S657 VanDerWaalsContact O-N 3.09Å; F654-S657 PolarHBondContact O-OG 2.78Å; Q655-S657 PolarHBondContact O-N 3.15Å; S657-L659 PolarHBondContact O-N 2.93Å; S657-L659 PolarHBondContact OG-N 2.71Å
658E84.6Confident84.8Confident169 Ų16955.4 Ų55.479%0.7929%0.291SS*.THydrogen-bonded Turntrans55.88.3-174.5-58.1179.2176.900115Q655Q655-E658 PolarHBondContact O-N 3.33Å
659L85.4Confident85Confident8 Ų854.9 Ų54.94%0.04229%0.287CS..  trans-72.1136.6-179.5-66.4179.4000110.7L601 F617 F654 S657 M664L601-L659 HydrophobicContact CG-CD1 4.38Å; L601-L659 WeakPolarHBondContact O-CD1 3.22Å; F617-L659 HydrophobicContact CE2-CD1 4.25Å; F617-L659 HydrophobicContact CZ-CD1 4.35Å; F654-L659 HydrophobicContact CE2-CB 4.41Å; F654-L659 WeakPolarHBondContact CZ-O 3.35Å; S657-L659 PolarHBondContact O-N 2.93Å; S657-L659 PolarHBondContact OG-N 2.71Å; L659-M664 HydrophobicContact CD1-SD 4.4Å
660Q82.9Confident85.1Confident103 Ų10356.2 Ų56.248%0.48129%0.292SS..  trans-90.8124174.3-59.6-60.1-62.900109.6N662 Q663 M664Q660-N662 WeakPolarHBondContact CB-OD1 3.35Å; Q660-N662 PolarHBondContact O-N 2.96Å; Q660-Q663 HydrophobicContact CB-CB 4.46Å; Q660-Q663 HydrophobicContact CB-CG 4.27Å; Q660-Q663 PolarHBondContact O-N 3.29Å; Q660-Q663 VanDerWaalsContact O-N 3.08Å; Q660-M664 WeakPolarHBondContact O-CG 3.34Å; Q660-M664 PolarHBondContact O-N 3.12Å
661M86.7Confident85Confident9 Ų960.2 Ų60.24%0.04432%0.317CS..Hα-helixtrans-59.6-37.6-177.3-171.965.477.200112F617 L618 L621 F654 Q663 M664 V665 L675 L679 L687 V688F617-M661 HydrophobicContact CE1-SD 4Å; L618-M661 HydrophobicContact CD2-SD 4.33Å; L621-M661 HydrophobicContact CD1-CE 3.71Å; L621-M661 HydrophobicContact CD1-SD 4.32Å; F654-M661 HydrophobicContact CE2-CE 3.89Å; F654-M661 HydrophobicContact CZ-CB 4.07Å; F654-M661 HydrophobicContact CZ-CE 3.91Å; M661-Q663 VanDerWaalsContact C-N 3.25Å; M661-Q663 PolarHBondContact O-N 2.95Å; M661-M664 PolarHBondContact O-N 3.47Å; M661-M664 VanDerWaalsContact O-N 3.09Å; M661-V665 WeakPolarHBondContact O-CG2 3.44Å; M661-V665 PolarHBondContact O-N 3.2Å; M661-L675 HydrophobicContact CG-CD1 3.95Å; M661-L675 HydrophobicContact CG-CD2 4.42Å; M661-L679 HydrophobicContact CE-CD2 4.41Å; M661-L679 HydrophobicContact CG-CD1 4.1Å; M661-L679 HydrophobicContact SD-CD2 4.31Å; M661-L687 HydrophobicContact CE-CB 4.14Å; M661-L687 HydrophobicContact CE-CD1 3.72Å; M661-V688 HydrophobicContact CB-CG2 4.27Å; M661-V688 HydrophobicContact CG-CG2 4.21Å
662N84.7Confident85Confident65 Ų6563.8 Ų63.835%0.34834%0.336SS..Hα-helixtrans-58.5-32.7176.858.813.2000113.4Q660 Q670 L675Q660-N662 WeakPolarHBondContact CB-OD1 3.35Å; Q660-N662 PolarHBondContact O-N 2.96Å; N662-Q670 VanDerWaalsContact O-CG 3.29Å; N662-Q670 WeakPolarHBondContact O-CG 3.4Å; N662-Q670 PolarHBondContact O-NE2 2.78Å; N662-L675 HydrophobicContact CB-CD2 4.33Å
663Q87.5Confident85.1Confident95 Ų9567.3 Ų67.344%0.44435%0.35SS..Hα-helixtrans-82.8-18.6178.8-69.8173.139.200112.8G610 Q660 M661G610-Q663 PolarHBondContact N-O 3.05Å; Q660-Q663 HydrophobicContact CB-CB 4.46Å; Q660-Q663 HydrophobicContact CB-CG 4.27Å; Q660-Q663 PolarHBondContact O-N 3.29Å; Q660-Q663 VanDerWaalsContact O-N 3.08Å; M661-Q663 VanDerWaalsContact C-N 3.25Å; M661-Q663 PolarHBondContact O-N 2.95Å
664M87.1Confident85.2Confident5 Ų568.3 Ų68.33%0.02536%0.36CS..Hα-helixtrans-85.3-15.5-179.7-66.3-48.7-54.400113.2G605 L608 R609 F617 L659 Q660 M661G605-M664 WeakPolarHBondContact O-CE 3.46Å; L608-M664 HydrophobicContact CB-CE 3.64Å; R609-M664 HydrophobicContact CG-SD 4.02Å; F617-M664 HydrophobicContact CB-CE 4.3Å; F617-M664 HydrophobicContact CD1-CB 3.64Å; F617-M664 HydrophobicContact CD1-CE 4.09Å; F617-M664 HydrophobicContact CD1-CG 4.13Å; F617-M664 HydrophobicContact CD2-CE 3.58Å; F617-M664 HydrophobicContact CE1-CB 3.56Å; F617-M664 HydrophobicContact CE1-CE 4.29Å; F617-M664 HydrophobicContact CE1-CG 3.67Å; F617-M664 HydrophobicContact CE2-CE 3.82Å; F617-M664 HydrophobicContact CE2-CG 4.41Å; F617-M664 HydrophobicContact CG-CB 4.35Å; F617-M664 HydrophobicContact CG-CE 3.72Å; F617-M664 HydrophobicContact CZ-CB 4.24Å; F617-M664 HydrophobicContact CZ-CE 4.17Å; F617-M664 HydrophobicContact CZ-CG 3.83Å; L659-M664 HydrophobicContact CD1-SD 4.4Å; Q660-M664 WeakPolarHBondContact O-CG 3.34Å; Q660-M664 PolarHBondContact O-N 3.12Å; M661-M664 PolarHBondContact O-N 3.47Å; M661-M664 VanDerWaalsContact O-N 3.09Å
665V87.3Confident85.3Confident0 Ų067.3 Ų67.30%036%0.356CS..SBendtrans-99.5151.5-177.8174.70000110.4M661 S669 Q670 L675 L678M661-V665 WeakPolarHBondContact O-CG2 3.44Å; M661-V665 PolarHBondContact O-N 3.2Å; V665-S669 VanDerWaalsContact CG1-CB 3.46Å; V665-Q670 PolarHBondContact O-NE2 3.09Å; V665-Q670 VanDerWaalsContact O-NE2 3.15Å; V665-L675 HydrophobicContact CB-CD1 4.35Å; V665-L675 HydrophobicContact CG1-CD1 4.44Å; V665-L675 HydrophobicContact CG2-CD1 3.76Å; V665-L678 HydrophobicContact CG1-CD2 3.6Å; V665-L678 HydrophobicContact CG2-CD2 4.38Å
666P85.5Confident85.4Confident33 Ų3363.3 Ų63.321%0.21434%0.337CS..  trans-60151.5177.8-21.732.9000112.8H614 G668 S669 Q670H614-P666 HydrophobicContact CB-CG 3.79Å; H614-P666 WeakPolarHBondContact ND1-CD 3.48Å; P666-G668 PolarHBondContact O-N 3.3Å; P666-G668 VanDerWaalsContact O-N 3.08Å; P666-S669 PolarHBondContact O-N 2.92Å; P666-Q670 WeakPolarHBondContact O-CG 3.1Å; P666-Q670 PolarHBondContact O-N 3.07Å
667E78.6Confident85.6Confident160 Ų16062 Ų6275%0.74834%0.339SS*.G310 helixtrans-50.8-37.1-175.3-65.5178.8179.600114.1S669 Q670E667-S669 PolarHBondContact O-N 3.26Å; E667-Q670 PolarHBondContact O-N 3.07Å
668G79.7Confident85.7Confident70 Ų7062.6 Ų62.672%0.72234%0.341SS*.G310 helixtrans-66.6-19.1178.100000115.1P666P666-G668 PolarHBondContact O-N 3.3Å; P666-G668 VanDerWaalsContact O-N 3.08Å
669S83.8Confident86Confident37 Ų3754.6 Ų54.626%0.25930%0.304SS..G310 helixtrans-116.915.1-175.9-58.70000113V665 P666 E667 T671 L675V665-S669 VanDerWaalsContact CG1-CB 3.46Å; P666-S669 PolarHBondContact O-N 2.92Å; E667-S669 PolarHBondContact O-N 3.26Å; S669-T671 VanDerWaalsContact C-N 3.3Å; S669-L675 PolarHBondContact O-N 3.1Å
670Q86.4Confident86.1Confident74 Ų7457.6 Ų57.635%0.34632%0.318SS..  trans-80.4-9.6178.6-61.1-174.2-14.400113.7N662 V665 P666 E667N662-Q670 VanDerWaalsContact O-CG 3.29Å; N662-Q670 WeakPolarHBondContact O-CG 3.4Å; N662-Q670 PolarHBondContact O-NE2 2.78Å; V665-Q670 PolarHBondContact O-NE2 3.09Å; V665-Q670 VanDerWaalsContact O-NE2 3.15Å; P666-Q670 WeakPolarHBondContact O-CG 3.1Å; P666-Q670 PolarHBondContact O-N 3.07Å; E667-Q670 PolarHBondContact O-N 3.07Å
671T84.9Confident86.5Confident85 Ų8559 Ų5952%0.52132%0.324SS..SBendtrans-66.8142.6174.567.90000110.1S669 K673 A674 L675S669-T671 VanDerWaalsContact C-N 3.3Å; T671-K673 PolarHBondContact O-N 3.2Å; T671-K673 VanDerWaalsContact O-N 3.14Å; T671-A674 PolarHBondContact O-N 2.87Å; T671-A674 VanDerWaalsContact O-N 3.11Å; T671-A674 WeakPolarHBondContact OG1-CB 3.22Å; T671-A674 PolarHBondContact OG1-N 3.24Å; T671-L675 VanDerWaalsContact O-CB 3.29Å; T671-L675 WeakPolarHBondContact O-CB 3.35Å; T671-L675 PolarHBondContact O-N 3.03Å
672N85.6Confident86.5Confident96 Ų9661 Ų6151%0.51333%0.332SS..Hα-helixtrans-53.3-40.3-175.3-67.6-21.1000113.2L676 L691N672-L676 WeakPolarHBondContact O-CB 3.29Å; N672-L676 PolarHBondContact O-N 3.31Å; N672-L676 VanDerWaalsContact O-N 3.09Å; N672-L691 HydrophobicContact CB-CD1 4.34Å; N672-L691 HydrophobicContact CB-CD2 3.96Å
673K86.5Confident86.7Confident169 Ų16963.3 Ų63.374%0.73534%0.343SS*.Hα-helixtrans-70.7-46.1178.1-65.6-177.3179.6179.50112.6T671 L675 L676 S677T671-K673 PolarHBondContact O-N 3.2Å; T671-K673 VanDerWaalsContact O-N 3.14Å; K673-L675 VanDerWaalsContact C-N 3.32Å; K673-L676 PolarHBondContact O-N 3.46Å; K673-S677 PolarHBondContact O-N 3.42Å
674A88.5Confident86.7Confident32 Ų3258.8 Ų58.826%0.26432%0.322SS..Hα-helixtrans-67.6-36.7179.200000111.5T671 L678T671-A674 PolarHBondContact O-N 2.87Å; T671-A674 VanDerWaalsContact O-N 3.11Å; T671-A674 WeakPolarHBondContact OG1-CB 3.22Å; T671-A674 PolarHBondContact OG1-N 3.24Å; A674-L678 VanDerWaalsContact O-CB 3.25Å; A674-L678 WeakPolarHBondContact O-CB 3.41Å; A674-L678 PolarHBondContact O-N 3.07Å
675L90Very high86.8Confident4 Ų460.6 Ų60.62%0.02133%0.332CS..Hα-helixtrans-62.4-48.8175.717858000111.1M661 N662 V665 S669 T671 K673 L678 L679 L691M661-L675 HydrophobicContact CG-CD1 3.95Å; M661-L675 HydrophobicContact CG-CD2 4.42Å; N662-L675 HydrophobicContact CB-CD2 4.33Å; V665-L675 HydrophobicContact CB-CD1 4.35Å; V665-L675 HydrophobicContact CG1-CD1 4.44Å; V665-L675 HydrophobicContact CG2-CD1 3.76Å; S669-L675 PolarHBondContact O-N 3.1Å; T671-L675 VanDerWaalsContact O-CB 3.29Å; T671-L675 WeakPolarHBondContact O-CB 3.35Å; T671-L675 PolarHBondContact O-N 3.03Å; K673-L675 VanDerWaalsContact C-N 3.32Å; L675-L678 PolarHBondContact O-N 3.03Å; L675-L679 HydrophobicContact CD1-CD1 3.98Å; L675-L679 HydrophobicContact CD1-CG 4.16Å; L675-L679 HydrophobicContact CG-CD1 4.15Å; L675-L679 VanDerWaalsContact O-CG 3.29Å; L675-L679 WeakPolarHBondContact O-CG 3.22Å; L675-L679 PolarHBondContact O-N 3.4Å; L675-L691 HydrophobicContact CD2-CD1 3.78Å; L675-L691 HydrophobicContact CG-CD1 4.37Å
676L86.5Confident86.7Confident9 Ų962 Ų625%0.04734%0.338CS..Hα-helixtrans-60.8-48.7178.3-17963000111.2N672 K673 L678 L679 E680 D685 R692 T695N672-L676 WeakPolarHBondContact O-CB 3.29Å; N672-L676 PolarHBondContact O-N 3.31Å; N672-L676 VanDerWaalsContact O-N 3.09Å; K673-L676 PolarHBondContact O-N 3.46Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.03Å; L676-L679 PolarHBondContact O-N 3.28Å; L676-L679 VanDerWaalsContact O-N 3.11Å; L676-E680 HydrophobicContact CD1-CG 4.15Å; L676-E680 HydrophobicContact CG-CG 4.24Å; L676-E680 WeakPolarHBondContact CG-OE1 3.46Å; L676-E680 WeakPolarHBondContact O-CB 3.17Å; L676-E680 VanDerWaalsContact O-CG 3.32Å; L676-E680 WeakPolarHBondContact O-CG 3.49Å; L676-E680 PolarHBondContact O-N 3.14Å; L676-D685 HydrophobicContact CD1-CB 4.39Å; L676-R692 HydrophobicContact CD1-CB 4.24Å; L676-T695 HydrophobicContact CD2-CG2 3.77Å; L676-T695 WeakPolarHBondContact CD2-OG1 3.29Å
677S89.3Confident86.7Confident71 Ų7161 Ų6150%0.49733%0.332SS..Hα-helixtrans-59.3-41.4178.6177.60000112.7K673 L679 E680 E681K673-S677 PolarHBondContact O-N 3.42Å; S677-L679 VanDerWaalsContact C-N 3.33Å; S677-L679 PolarHBondContact O-N 2.95Å; S677-E680 PolarHBondContact O-N 3.11Å; S677-E681 PolarHBondContact O-N 2.99Å
678L88.9Confident87.2Confident21 Ų2154.3 Ų54.311%0.1130%0.301CS..Hα-helixtrans-64.2-37.7176.517965.7000112.3L618 V665 A674 L675 L676 R682L618-L678 HydrophobicContact CD1-CD1 4.45Å; L618-L678 HydrophobicContact CD1-CD2 3.97Å; L618-L678 HydrophobicContact CD1-CG 4.07Å; V665-L678 HydrophobicContact CG1-CD2 3.6Å; V665-L678 HydrophobicContact CG2-CD2 4.38Å; A674-L678 VanDerWaalsContact O-CB 3.25Å; A674-L678 WeakPolarHBondContact O-CB 3.41Å; A674-L678 PolarHBondContact O-N 3.07Å; L675-L678 PolarHBondContact O-N 3.03Å; L676-L678 VanDerWaalsContact C-N 3.32Å; L676-L678 PolarHBondContact O-N 3.03Å; L678-R682 WeakPolarHBondContact O-CG 2.99Å
679L89.4Confident87.4Confident1 Ų152.6 Ų52.61%0.00528%0.277CS..Hα-helixtrans-75.8-35.9177.5-67176.6000112.1L618 M661 L675 L676 S677 R682 N683 L684 V688L618-L679 HydrophobicContact CD2-CD2 3.87Å; M661-L679 HydrophobicContact CE-CD2 4.41Å; M661-L679 HydrophobicContact CG-CD1 4.1Å; M661-L679 HydrophobicContact SD-CD2 4.31Å; L675-L679 HydrophobicContact CD1-CD1 3.98Å; L675-L679 HydrophobicContact CD1-CG 4.16Å; L675-L679 HydrophobicContact CG-CD1 4.15Å; L675-L679 VanDerWaalsContact O-CG 3.29Å; L675-L679 WeakPolarHBondContact O-CG 3.22Å; L675-L679 PolarHBondContact O-N 3.4Å; L676-L679 PolarHBondContact O-N 3.28Å; L676-L679 VanDerWaalsContact O-N 3.11Å; S677-L679 VanDerWaalsContact C-N 3.33Å; S677-L679 PolarHBondContact O-N 2.95Å; L679-R682 CarbonylContact O-C 3.22Å; L679-R682 PolarHBondContact O-N 2.82Å; L679-R682 VanDerWaalsContact O-N 3.14Å; L679-N683 PolarHBondContact O-N 2.85Å; L679-L684 HydrophobicContact CB-CB 4.35Å; L679-L684 HydrophobicContact CD2-CB 3.92Å; L679-L684 HydrophobicContact CD2-CD1 4.44Å; L679-L684 PolarHBondContact O-N 3.04Å; L679-V688 HydrophobicContact CD1-CB 4.33Å; L679-V688 HydrophobicContact CD1-CG2 3.45Å; L679-V688 VanDerWaalsContact CD1-CG2 3.45Å
680E89.4Confident87.5Confident71 Ų7151.9 Ų51.933%0.33227%0.273SS..Hα-helixtrans-61.6-45.6174.1-76.3174.1175.600111.4L676 S677 R682 N683 D685 R692L676-E680 HydrophobicContact CD1-CG 4.15Å; L676-E680 HydrophobicContact CG-CG 4.24Å; L676-E680 WeakPolarHBondContact CG-OE1 3.46Å; L676-E680 WeakPolarHBondContact O-CB 3.17Å; L676-E680 VanDerWaalsContact O-CG 3.32Å; L676-E680 WeakPolarHBondContact O-CG 3.49Å; L676-E680 PolarHBondContact O-N 3.14Å; S677-E680 PolarHBondContact O-N 3.11Å; E680-R682 PolarHBondContact O-N 3.35Å; E680-N683 PolarHBondContact O-N 2.97Å; E680-N683 VanDerWaalsContact O-N 3.07Å; E680-D685 HydrophobicContact CG-CB 3.84Å; E680-R692 IonicContact OE1-CZ 2.74Å; E680-R692 IonicContact OE1-NH1 3.4Å; E680-R692 PolarHBondContact OE1-NH1 2.71Å
681E89.7Confident87.5Confident131 Ų13149.7 Ų49.761%0.61226%0.263SS*.Hα-helixtrans-54.5-29174.7-169-158.4116.400112.1S677S677-E681 PolarHBondContact O-N 2.99Å
682R86.6Confident87.6Confident53 Ų5349.7 Ų49.720%0.225%0.253CS..THydrogen-bonded Turntrans-103.93.4-175.7-62-54.8178.682.56.4114.3Q622 L678 L679 E680 L684Q622-R682 HydrophobicContact CG-CB 4.37Å; Q622-R682 VanDerWaalsContact NE2-CB 3.34Å; Q622-R682 PolarHBondContact NE2-O 2.92Å; L678-R682 WeakPolarHBondContact O-CG 2.99Å; L679-R682 CarbonylContact O-C 3.22Å; L679-R682 PolarHBondContact O-N 2.82Å; L679-R682 VanDerWaalsContact O-N 3.14Å; E680-R682 PolarHBondContact O-N 3.35Å; R682-L684 VanDerWaalsContact C-N 3.28Å; R682-L684 HydrophobicContact CB-CD1 4.39Å; R682-L684 HydrophobicContact CB-CG 4.37Å; R682-L684 PolarHBondContact O-N 3.48Å
683N89.5Confident87.7Confident112 Ų11245.4 Ų45.460%0.59923%0.23SC*.THydrogen-bonded Turntrans55.638.8-174.1-57.4-73.2000113.3L679 E680 F686L679-N683 PolarHBondContact O-N 2.85Å; E680-N683 PolarHBondContact O-N 2.97Å; E680-N683 VanDerWaalsContact O-N 3.07Å; N683-F686 VanDerWaalsContact O-CE1 3.23Å; N683-F686 WeakPolarHBondContact O-CE1 3.47Å
684L88.5Confident87.8Confident0 Ų038.5 Ų38.50%020%0.204CC..  trans-116.610.2178.1-68.5-179.5000112.9L618 L621 Q622 L679 R682 F686 L687L618-L684 HydrophobicContact CD2-CD1 4.31Å; L621-L684 HydrophobicContact CB-CD1 3.75Å; L621-L684 HydrophobicContact CB-CD2 4.16Å; L621-L684 HydrophobicContact CD1-CD1 4.34Å; Q622-L684 HydrophobicContact CG-CD1 3.85Å; Q622-L684 HydrophobicContact CG-CD2 4.32Å; Q622-L684 HydrophobicContact CG-CG 4.05Å; L679-L684 HydrophobicContact CB-CB 4.35Å; L679-L684 HydrophobicContact CD2-CB 3.92Å; L679-L684 HydrophobicContact CD2-CD1 4.44Å; L679-L684 PolarHBondContact O-N 3.04Å; R682-L684 VanDerWaalsContact C-N 3.28Å; R682-L684 HydrophobicContact CB-CD1 4.39Å; R682-L684 HydrophobicContact CB-CG 4.37Å; R682-L684 PolarHBondContact O-N 3.48Å; L684-F686 HydrophobicContact CD2-CE1 4.24Å; L684-F686 HydrophobicContact CD2-CZ 4.28Å; L684-F686 PolarHBondContact O-N 2.66Å; L684-L687 HydrophobicContact CB-CD1 4.28Å; L684-L687 HydrophobicContact CD2-CD1 4.18Å; L684-L687 WeakPolarHBondContact O-CB 3.28Å; L684-L687 PolarHBondContact O-N 3.03Å; L684-L687 VanDerWaalsContact O-N 3.11Å
685D87.5Confident87.8Confident44 Ų4438.8 Ų38.824%0.23520%0.202CC..G310 helixtrans-55.9-32.4178.759.9-59000113.1L676 E680 L687 V688L676-D685 HydrophobicContact CD1-CB 4.39Å; E680-D685 HydrophobicContact CG-CB 3.84Å; D685-L687 PolarHBondContact O-N 3.31Å; D685-L687 VanDerWaalsContact O-N 3.1Å; D685-V688 PolarHBondContact O-N 2.86Å
686F85.5Confident87.7Confident28 Ų2841 Ų4112%0.12321%0.213CC..G310 helixtrans-62.7-16.4177.367.9-93.5000114.5R647 L650 I651 N683 L684 V688R647-F686 HydrophobicContact CB-CD2 4.04Å; R647-F686 HydrophobicContact CB-CE2 4.07Å; R647-F686 HydrophobicContact CG-CD1 4.27Å; R647-F686 HydrophobicContact CG-CD2 4Å; R647-F686 HydrophobicContact CG-CE1 4.18Å; R647-F686 HydrophobicContact CG-CE2 3.92Å; R647-F686 HydrophobicContact CG-CG 4.17Å; R647-F686 HydrophobicContact CG-CZ 4Å; L650-F686 HydrophobicContact CB-CE2 4.4Å; L650-F686 HydrophobicContact CD2-CE2 3.91Å; L650-F686 HydrophobicContact CD2-CZ 3.73Å; L650-F686 HydrophobicContact CG-CE2 4.5Å; I651-F686 HydrophobicContact CD1-CD2 4.2Å; I651-F686 HydrophobicContact CG1-CD2 4.11Å; I651-F686 HydrophobicContact CG1-CE2 4.49Å; N683-F686 VanDerWaalsContact O-CE1 3.23Å; N683-F686 WeakPolarHBondContact O-CE1 3.47Å; L684-F686 HydrophobicContact CD2-CE1 4.24Å; L684-F686 HydrophobicContact CD2-CZ 4.28Å; L684-F686 PolarHBondContact O-N 2.66Å; F686-V688 VanDerWaalsContact C-N 3.26Å
687L87Confident87.7Confident14 Ų1440.6 Ų40.67%0.07321%0.21CC..G310 helixtrans-75.7-16.8175.3-67.4175.6000112.8L621 L650 I651 F654 M661 L684 D685 P689L621-L687 HydrophobicContact CD1-CD1 3.89Å; L650-L687 HydrophobicContact CD2-CD1 4.45Å; L650-L687 HydrophobicContact CD2-CD2 4.12Å; L650-L687 HydrophobicContact CG-CD2 4.03Å; I651-L687 HydrophobicContact CG1-CD2 4.31Å; F654-L687 HydrophobicContact CB-CD2 4.35Å; M661-L687 HydrophobicContact CE-CB 4.14Å; M661-L687 HydrophobicContact CE-CD1 3.72Å; L684-L687 HydrophobicContact CB-CD1 4.28Å; L684-L687 HydrophobicContact CD2-CD1 4.18Å; L684-L687 WeakPolarHBondContact O-CB 3.28Å; L684-L687 PolarHBondContact O-N 3.03Å; L684-L687 VanDerWaalsContact O-N 3.11Å; D685-L687 PolarHBondContact O-N 3.31Å; D685-L687 VanDerWaalsContact O-N 3.1Å; L687-P689 VanDerWaalsContact C-CD 3.41Å; L687-P689 WeakPolarHBondContact O-CD 3.45Å
688V87.8Confident87.6Confident18 Ų1839.3 Ų39.311%0.10920%0.201CC..  trans-128.465.3-177.8-159.80000110.8M661 L679 D685 F686 S690 L691 R692M661-V688 HydrophobicContact CB-CG2 4.27Å; M661-V688 HydrophobicContact CG-CG2 4.21Å; L679-V688 HydrophobicContact CD1-CB 4.33Å; L679-V688 HydrophobicContact CD1-CG2 3.45Å; L679-V688 VanDerWaalsContact CD1-CG2 3.45Å; D685-V688 PolarHBondContact O-N 2.86Å; F686-V688 VanDerWaalsContact C-N 3.26Å; V688-S690 VanDerWaalsContact C-N 3.31Å; V688-S690 PolarHBondContact O-N 3.47Å; V688-L691 HydrophobicContact CG1-CB 3.71Å; V688-L691 HydrophobicContact CG1-CD1 3.56Å; V688-L691 HydrophobicContact CG1-CG 3.43Å; V688-L691 VanDerWaalsContact CG1-CG 3.43Å; V688-L691 PolarHBondContact O-N 3.02Å; V688-R692 PolarHBondContact O-N 3.37Å
689P84.4Confident87.5Confident34 Ų3443.4 Ų43.422%0.22122%0.219CC..Hα-helixtrans-63.5-34.5-175.326.6-35.4000112.7L687 R692 L693 I736L687-P689 VanDerWaalsContact C-CD 3.41Å; L687-P689 WeakPolarHBondContact O-CD 3.45Å; P689-R692 PolarHBondContact O-N 2.96Å; P689-L693 WeakPolarHBondContact O-CB 3.15Å; P689-L693 VanDerWaalsContact O-CG 3.22Å; P689-L693 WeakPolarHBondContact O-CG 3.42Å; P689-L693 PolarHBondContact O-N 3.35Å; P689-I736 HydrophobicContact CB-CD1 4.09Å; P689-I736 HydrophobicContact CB-CG1 3.68Å; P689-I736 HydrophobicContact CG-CG1 3.64Å
690S86.2Confident87.3Confident23 Ų2345.7 Ų45.716%0.16123%0.231CC..Hα-helixtrans-64-42.2179.754.90000112.9V688 L693 S694 A744V688-S690 VanDerWaalsContact C-N 3.31Å; V688-S690 PolarHBondContact O-N 3.47Å; S690-L693 PolarHBondContact O-N 2.86Å; S690-S694 WeakPolarHBondContact O-CB 3.4Å; S690-S694 PolarHBondContact O-N 3.49Å; S690-A744 VanDerWaalsContact O-CB 3.28Å; S690-A744 WeakPolarHBondContact O-CB 3.42Å
691L86Confident86.9Confident28 Ų2842.3 Ų42.315%0.14722%0.216CC..Hα-helixtrans-66.9-42.9176.5-67-171.8000111.3N672 L675 V688 L693 S694 T695N672-L691 HydrophobicContact CB-CD1 4.34Å; N672-L691 HydrophobicContact CB-CD2 3.96Å; L675-L691 HydrophobicContact CD2-CD1 3.78Å; L675-L691 HydrophobicContact CG-CD1 4.37Å; V688-L691 HydrophobicContact CG1-CB 3.71Å; V688-L691 HydrophobicContact CG1-CD1 3.56Å; V688-L691 HydrophobicContact CG1-CG 3.43Å; V688-L691 VanDerWaalsContact CG1-CG 3.43Å; V688-L691 PolarHBondContact O-N 3.02Å; L691-L693 VanDerWaalsContact C-N 3.35Å; L691-L693 PolarHBondContact O-N 3.48Å; L691-S694 PolarHBondContact O-N 3.49Å; L691-T695 WeakPolarHBondContact O-CG2 3.25Å; L691-T695 PolarHBondContact O-N 2.89Å; L691-T695 PolarHBondContact O-OG1 3.25Å; L691-T695 VanDerWaalsContact O-OG1 3.07Å
692R87.5Confident86.3Confident84 Ų8439.9 Ų39.932%0.31721%0.205SC..Hα-helixtrans-58.9-47.2175.7-177.269.5179.8151.619111.1L676 E680 V688 P689 T695 E696L676-R692 HydrophobicContact CD1-CB 4.24Å; E680-R692 IonicContact OE1-CZ 2.74Å; E680-R692 IonicContact OE1-NH1 3.4Å; E680-R692 PolarHBondContact OE1-NH1 2.71Å; V688-R692 PolarHBondContact O-N 3.37Å; P689-R692 PolarHBondContact O-N 2.96Å; R692-T695 PolarHBondContact O-N 2.82Å; R692-T695 PolarHBondContact O-OG1 3.4Å; R692-E696 IonicContact CZ-OE1 3.02Å; R692-E696 IonicContact NE-OE1 3.34Å; R692-E696 IonicContact NH1-OE1 3.57Å; R692-E696 PolarHBondContact NH1-OE1 3.49Å; R692-E696 VanDerWaalsContact NH2-CD 3.34Å; R692-E696 IonicContact NH2-OE1 2.72Å; R692-E696 PolarHBondContact NH2-OE1 3.46Å; R692-E696 WeakPolarHBondContact O-CB 3.42Å; R692-E696 VanDerWaalsContact O-CG 3.22Å; R692-E696 WeakPolarHBondContact O-CG 3.24Å; R692-E696 PolarHBondContact O-N 2.68Å
693L87.1Confident85.4Confident6 Ų641.1 Ų41.13%0.03122%0.216CC..Hα-helixtrans-59.1-49175.3-71.4177.3000111.1P689 S690 L691 T695 E696 L697 Y726 H730 I736 Y741 A744P689-L693 WeakPolarHBondContact O-CB 3.15Å; P689-L693 VanDerWaalsContact O-CG 3.22Å; P689-L693 WeakPolarHBondContact O-CG 3.42Å; P689-L693 PolarHBondContact O-N 3.35Å; S690-L693 PolarHBondContact O-N 2.86Å; L691-L693 VanDerWaalsContact C-N 3.35Å; L691-L693 PolarHBondContact O-N 3.48Å; L693-T695 PolarHBondContact O-N 2.84Å; L693-E696 PolarHBondContact O-N 2.93Å; L693-L697 VanDerWaalsContact O-CB 3.3Å; L693-L697 WeakPolarHBondContact O-CB 3Å; L693-L697 WeakPolarHBondContact O-CG 3.2Å; L693-L697 PolarHBondContact O-N 2.95Å; L693-Y726 HydrophobicContact CD2-CE1 3.77Å; L693-H730 HydrophobicContact CD2-CB 3.67Å; L693-I736 HydrophobicContact CD1-CD1 3.42Å; L693-I736 VanDerWaalsContact CD1-CD1 3.42Å; L693-I736 HydrophobicContact CD1-CG1 4.5Å; L693-Y741 HydrophobicContact CD1-CD2 4.45Å; L693-A744 HydrophobicContact CB-CB 4.37Å
694S89.7Confident84Confident25 Ų2536.4 Ų36.418%0.17519%0.191CC..Hα-helixtrans-59.6-43-179.5-170.10000112.7S690 L691 S698 A744S690-S694 WeakPolarHBondContact O-CB 3.4Å; S690-S694 PolarHBondContact O-N 3.49Å; L691-S694 PolarHBondContact O-N 3.49Å; S694-S698 VanDerWaalsContact O-CB 3.31Å; S694-S698 WeakPolarHBondContact O-CB 3.25Å; S694-S698 PolarHBondContact O-N 3.35Å; S694-S698 PolarHBondContact O-OG 2.77Å; S694-A744 PolarHBondContact OG-O 3.07Å
695T88.3Confident82.4Confident37 Ų3740 Ų4023%0.22722%0.216CC..Hα-helixtrans-69.2-40.7179.551.30000112.8L676 L691 R692 L693 S698 H699L676-T695 HydrophobicContact CD2-CG2 3.77Å; L676-T695 WeakPolarHBondContact CD2-OG1 3.29Å; L691-T695 WeakPolarHBondContact O-CG2 3.25Å; L691-T695 PolarHBondContact O-N 2.89Å; L691-T695 PolarHBondContact O-OG1 3.25Å; L691-T695 VanDerWaalsContact O-OG1 3.07Å; R692-T695 PolarHBondContact O-N 2.82Å; R692-T695 PolarHBondContact O-OG1 3.4Å; L693-T695 PolarHBondContact O-N 2.84Å; T695-S698 WeakPolarHBondContact O-CB 2.99Å; T695-S698 PolarHBondContact O-N 3.25Å; T695-H699 PolarHBondContact O-N 3.41Å
696E86.7Confident80.8Confident52 Ų5243 Ų4324%0.24324%0.241CC..Hα-helixtrans-68.8-43.9178.4-69.5-65.5147.900111.2R692 L693 S698 H699 L700 Y726R692-E696 IonicContact CZ-OE1 3.02Å; R692-E696 IonicContact NE-OE1 3.34Å; R692-E696 IonicContact NH1-OE1 3.57Å; R692-E696 PolarHBondContact NH1-OE1 3.49Å; R692-E696 VanDerWaalsContact NH2-CD 3.34Å; R692-E696 IonicContact NH2-OE1 2.72Å; R692-E696 PolarHBondContact NH2-OE1 3.46Å; R692-E696 WeakPolarHBondContact O-CB 3.42Å; R692-E696 VanDerWaalsContact O-CG 3.22Å; R692-E696 WeakPolarHBondContact O-CG 3.24Å; R692-E696 PolarHBondContact O-N 2.68Å; L693-E696 PolarHBondContact O-N 2.93Å; E696-S698 VanDerWaalsContact C-N 3.31Å; E696-S698 PolarHBondContact O-N 3.32Å; E696-H699 WeakPolarHBondContact O-CB 3.35Å; E696-H699 PolarHBondContact O-N 2.94Å; E696-H699 VanDerWaalsContact O-N 3.12Å; E696-L700 WeakPolarHBondContact O-CG 3.26Å; E696-L700 PolarHBondContact O-N 3.41Å; E696-Y726 HydrophobicContact CB-CE1 4.24Å; E696-Y726 HydrophobicContact CB-CE2 4.33Å; E696-Y726 VanDerWaalsContact CB-OH 3.24Å; E696-Y726 WeakPolarHBondContact CB-OH 3.34Å; E696-Y726 WeakPolarHBondContact CG-OH 3.49Å
697L87.6Confident79.3Confident0 Ų044.9 Ų44.90%025%0.252CS..Hα-helixtrans-61.1-40.8173.8-69.6176.5000111.6L693 H699 L700 I701 F723 Y726 L727 V748L693-L697 VanDerWaalsContact O-CB 3.3Å; L693-L697 WeakPolarHBondContact O-CB 3Å; L693-L697 WeakPolarHBondContact O-CG 3.2Å; L693-L697 PolarHBondContact O-N 2.95Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 2.94Å; L697-L700 HydrophobicContact CD2-CD1 4.3Å; L697-L700 PolarHBondContact O-N 3.16Å; L697-I701 WeakPolarHBondContact O-CG1 3.49Å; L697-I701 PolarHBondContact O-N 3.42Å; L697-I701 VanDerWaalsContact O-N 3.16Å; L697-F723 HydrophobicContact CB-CE2 3.99Å; L697-F723 HydrophobicContact CD1-CE2 4.02Å; L697-F723 HydrophobicContact CD1-CZ 4.06Å; L697-F723 HydrophobicContact CD2-CD2 3.79Å; L697-F723 HydrophobicContact CD2-CE2 3.63Å; L697-F723 HydrophobicContact CD2-CG 4.47Å; L697-F723 HydrophobicContact CD2-CZ 4.2Å; L697-F723 HydrophobicContact CG-CE2 4.09Å; L697-Y726 HydrophobicContact CD2-CD1 3.42Å; L697-Y726 VanDerWaalsContact CD2-CD1 3.42Å; L697-Y726 HydrophobicContact CD2-CE1 4.04Å; L697-Y726 HydrophobicContact CD2-CG 4.14Å; L697-Y726 HydrophobicContact CG-CD1 4.13Å; L697-Y726 HydrophobicContact CG-CE1 4.26Å; L697-L727 HydrophobicContact CD1-CD2 3.95Å; L697-L727 HydrophobicContact CD2-CD2 4.13Å; L697-V748 HydrophobicContact CB-CB 4.45Å; L697-V748 HydrophobicContact CB-CG1 3.97Å; L697-V748 HydrophobicContact CB-CG2 4.14Å
698S87.6Confident77.7Confident44 Ų4453.3 Ų53.331%0.30829%0.291SS..Hα-helixtrans-60.8-41.9174.2-61.80000111.4S694 T695 E696 I701 M702 V748S694-S698 VanDerWaalsContact O-CB 3.31Å; S694-S698 WeakPolarHBondContact O-CB 3.25Å; S694-S698 PolarHBondContact O-N 3.35Å; S694-S698 PolarHBondContact O-OG 2.77Å; T695-S698 WeakPolarHBondContact O-CB 2.99Å; T695-S698 PolarHBondContact O-N 3.25Å; E696-S698 VanDerWaalsContact C-N 3.31Å; E696-S698 PolarHBondContact O-N 3.32Å; S698-I701 PolarHBondContact O-N 3.25Å; S698-M702 VanDerWaalsContact O-CG 3.27Å; S698-M702 WeakPolarHBondContact O-CG 3.48Å; S698-M702 PolarHBondContact O-N 3.44Å; S698-V748 WeakPolarHBondContact OG-CG2 3.21Å
699H86.2Confident76.2Confident106 Ų10656.5 Ų56.549%0.49133%0.327SS..Hα-helixtrans-64.8-42.9178.3-159.1-83.1000111.5T695 E696 L697 I701 M702 D703T695-H699 PolarHBondContact O-N 3.41Å; E696-H699 WeakPolarHBondContact O-CB 3.35Å; E696-H699 PolarHBondContact O-N 2.94Å; E696-H699 VanDerWaalsContact O-N 3.12Å; L697-H699 VanDerWaalsContact C-N 3.31Å; L697-H699 PolarHBondContact O-N 2.94Å; H699-I701 VanDerWaalsContact C-N 3.25Å; H699-I701 PolarHBondContact O-N 3.39Å; H699-M702 PolarHBondContact O-N 2.8Å; H699-M702 VanDerWaalsContact O-N 3.11Å; H699-D703 IonicContact CE1-OD1 3.64Å; H699-D703 PolarHBondContact CE1-OD1 3.37Å; H699-D703 IonicContact CE1-OD2 2.75Å; H699-D703 PolarHBondContact CE1-OD2 3.41Å; H699-D703 IonicContact CG-OD2 2.96Å; H699-D703 VanDerWaalsContact ND1-CG 3.25Å; H699-D703 IonicContact ND1-OD1 3.66Å; H699-D703 PolarHBondContact ND1-OD1 3.18Å; H699-D703 IonicContact ND1-OD2 3.98Å; H699-D703 PolarHBondContact ND1-OD2 3.49Å; H699-D703 IonicContact NE2-OD1 3.76Å; H699-D703 WeakPolarHBondContact O-CB 3.44Å; H699-D703 VanDerWaalsContact O-CG 3.29Å; H699-D703 PolarHBondContact O-N 3.44Å
700L84.6Confident75Confident49 Ų4959.7 Ų59.726%0.25734%0.338SS..Hα-helixtrans-57.8-38.2175.6-69.8173.7000112.6E696 L697 T704 Y726E696-L700 WeakPolarHBondContact O-CG 3.26Å; E696-L700 PolarHBondContact O-N 3.41Å; L697-L700 HydrophobicContact CD2-CD1 4.3Å; L697-L700 PolarHBondContact O-N 3.16Å; L700-T704 PolarHBondContact O-N 3.05Å; L700-Y726 HydrophobicContact CD1-CD1 4.41Å; L700-Y726 HydrophobicContact CD1-CD2 3.86Å; L700-Y726 HydrophobicContact CD1-CG 3.75Å
701I81.2Confident73.9Confident1 Ų161.7 Ų61.71%0.00535%0.351CS..Hα-helixtrans-76.1-31.6177.8-67.6-165.8000112.4L697 S698 H699 T704 T719 F723 V748 Y752L697-I701 WeakPolarHBondContact O-CG1 3.49Å; L697-I701 PolarHBondContact O-N 3.42Å; L697-I701 VanDerWaalsContact O-N 3.16Å; S698-I701 PolarHBondContact O-N 3.25Å; H699-I701 VanDerWaalsContact C-N 3.25Å; H699-I701 PolarHBondContact O-N 3.39Å; I701-T704 WeakPolarHBondContact O-CG2 3.45Å; I701-T719 HydrophobicContact CG1-CG2 4.26Å; I701-F723 HydrophobicContact CD1-CD2 4.17Å; I701-F723 HydrophobicContact CD1-CE2 4.21Å; I701-F723 HydrophobicContact CG1-CD2 4.44Å; I701-V748 HydrophobicContact CD1-CG1 3.31Å; I701-V748 HydrophobicContact CG1-CG1 4.04Å; I701-Y752 HydrophobicContact CD1-CD2 4.1Å; I701-Y752 HydrophobicContact CD1-CG 4.35Å; I701-Y752 HydrophobicContact CG1-CD2 4.49Å; I701-Y752 HydrophobicContact CG2-CD2 3.73Å
702M76.1Confident72.9Confident79 Ų7963.5 Ų63.539%0.38936%0.364SS..Hα-helixtrans-78.7-38.3177.8-66.9-63.3142.900112S698 H699 T704 S705 E751S698-M702 VanDerWaalsContact O-CG 3.27Å; S698-M702 WeakPolarHBondContact O-CG 3.48Å; S698-M702 PolarHBondContact O-N 3.44Å; H699-M702 PolarHBondContact O-N 2.8Å; H699-M702 VanDerWaalsContact O-N 3.11Å; M702-T704 VanDerWaalsContact C-N 3.35Å; M702-T704 PolarHBondContact O-N 2.89Å; M702-S705 VanDerWaalsContact O-CB 3.23Å; M702-S705 WeakPolarHBondContact O-CB 3.41Å; M702-S705 PolarHBondContact O-N 3.48Å; M702-S705 PolarHBondContact O-OG 3.25Å; M702-E751 HydrophobicContact CE-CG 3.52Å
703D68.6Low72Confident80 Ų8065.2 Ų65.243%0.42838%0.376SS..Hα-helixtrans-68.4-31.8179.4-73.2-13.6000113.4H699 S705 S706H699-D703 IonicContact CE1-OD1 3.64Å; H699-D703 PolarHBondContact CE1-OD1 3.37Å; H699-D703 IonicContact CE1-OD2 2.75Å; H699-D703 PolarHBondContact CE1-OD2 3.41Å; H699-D703 IonicContact CG-OD2 2.96Å; H699-D703 VanDerWaalsContact ND1-CG 3.25Å; H699-D703 IonicContact ND1-OD1 3.66Å; H699-D703 PolarHBondContact ND1-OD1 3.18Å; H699-D703 IonicContact ND1-OD2 3.98Å; H699-D703 PolarHBondContact ND1-OD2 3.49Å; H699-D703 IonicContact NE2-OD1 3.76Å; H699-D703 WeakPolarHBondContact O-CB 3.44Å; H699-D703 VanDerWaalsContact O-CG 3.29Å; H699-D703 PolarHBondContact O-N 3.44Å; D703-S705 PolarHBondContact O-N 3.03Å; D703-S705 VanDerWaalsContact O-N 3.1Å; D703-S706 PolarHBondContact O-N 3.28Å; D703-S706 PolarHBondContact O-OG 3.32Å
704T59.6Low71.2Confident13 Ų1370 Ų708%0.0840%0.398CS..G310 helixtrans-63.4-15.5179.1-153.20000112.7L700 I701 M702 S706 L707 T719L700-T704 PolarHBondContact O-N 3.05Å; I701-T704 WeakPolarHBondContact O-CG2 3.45Å; M702-T704 VanDerWaalsContact C-N 3.35Å; M702-T704 PolarHBondContact O-N 2.89Å; T704-S706 PolarHBondContact O-N 3.26Å; T704-S706 VanDerWaalsContact O-N 3.14Å; T704-L707 PolarHBondContact O-N 2.97Å; T704-T719 HydrophobicContact CG2-CG2 3.89Å; T704-T719 VanDerWaalsContact CG2-OG1 3.32Å; T704-T719 WeakPolarHBondContact CG2-OG1 3.15Å; T704-T719 PolarHBondContact OG1-OG1 2.95Å; T704-T719 VanDerWaalsContact OG1-OG1 3.04Å
705S55.5Low70.4Confident74 Ų7470.3 Ų70.352%0.51740%0.4SS..G310 helixtrans-59.1-21.7176.364.40000113.9M702 D703 L707M702-S705 VanDerWaalsContact O-CB 3.23Å; M702-S705 WeakPolarHBondContact O-CB 3.41Å; M702-S705 PolarHBondContact O-N 3.48Å; M702-S705 PolarHBondContact O-OG 3.25Å; D703-S705 PolarHBondContact O-N 3.03Å; D703-S705 VanDerWaalsContact O-N 3.1Å; S705-L707 PolarHBondContact O-N 2.91Å
706S53.9Low69.8Low108 Ų10868.6 Ų68.676%0.75539%0.39SS*.G310 helixtrans-68.1-2.2178.152.10000114.5D703 T704 E708D703-S706 PolarHBondContact O-N 3.28Å; D703-S706 PolarHBondContact O-OG 3.32Å; T704-S706 PolarHBondContact O-N 3.26Å; T704-S706 VanDerWaalsContact O-N 3.14Å; S706-E708 VanDerWaalsContact C-N 3.32Å; S706-E708 PolarHBondContact O-N 3.33Å
707L53.7Low69.6Low67 Ų6772.5 Ų72.535%0.35141%0.406SS..  trans-92.948.8175.7-14872.2000112.3T704 S705 G709 K710 I718T704-L707 PolarHBondContact O-N 2.97Å; S705-L707 PolarHBondContact O-N 2.91Å; L707-G709 PolarHBondContact O-N 2.89Å; L707-K710 HydrophobicContact CD2-CD 3.58Å; L707-K710 HydrophobicContact CD2-CG 4.22Å; L707-K710 HydrophobicContact CG-CD 4.02Å; L707-K710 HydrophobicContact CG-CG 4.21Å; L707-I718 HydrophobicContact CD2-CD1 3.73Å
708E54.3Low69.2Low191 Ų19174.9 Ų74.989%0.89342%0.418SS*.THydrogen-bonded Turntrans-61.1121.7170-81.8-176.4145.600110S706S706-E708 VanDerWaalsContact C-N 3.32Å; S706-E708 PolarHBondContact O-N 3.33Å
709G56.3Low68.9Low85 Ų8573 Ų7388%0.87640%0.404SS*.THydrogen-bonded Turntrans116.8-1.7169.600000117.1L707L707-G709 PolarHBondContact O-N 2.89Å
710K59.3Low68.8Low101 Ų10168.2 Ų68.244%0.43938%0.383SS..SBendtrans-86.7161.8168.5-66.8-164.3-172.4176.40112L707 I718L707-K710 HydrophobicContact CD2-CD 3.58Å; L707-K710 HydrophobicContact CD2-CG 4.22Å; L707-K710 HydrophobicContact CG-CD 4.02Å; L707-K710 HydrophobicContact CG-CG 4.21Å; K710-I718 HydrophobicContact CD-CD1 4.16Å
711C61.3Low68.7Low65 Ų6569.7 Ų69.744%0.43940%0.398SS..  trans-57.7137171.4-171.30000109.2E713 E714 S715C711-E713 PolarHBondContact O-N 3.28Å; C711-E713 VanDerWaalsContact O-N 3.07Å; C711-E714 HydrophobicContact CB-CG 4.19Å; C711-E714 WeakPolarHBondContact O-CB 3.22Å; C711-E714 PolarHBondContact O-N 3.46Å; C711-S715 PolarHBondContact O-N 3.11Å
712P65.6Low68.8Low66 Ų6674.5 Ų74.543%0.42942%0.419SS..Hα-helixtrans-52.7-33.9-177.5-27.533.7000114S715 D716 R773P712-S715 WeakPolarHBondContact CA-OG 3.48Å; P712-S715 PolarHBondContact O-OG 3.39Å; P712-D716 PolarHBondContact O-N 3.08Å; P712-R773 PolarHBondContact O-NH2 2.81Å
713E68.9Low69.3Low121 Ų12170.8 Ų70.857%0.56540%0.401SS*.Hα-helixtrans-69.9-31.8178.3-61.6179.7-175.100113.1C711 K717C711-E713 PolarHBondContact O-N 3.28Å; C711-E713 VanDerWaalsContact O-N 3.07Å; E713-K717 WeakPolarHBondContact O-CG 3.39Å; E713-K717 PolarHBondContact O-N 3.26Å
714E70.7Confident70Confident107 Ų10769.4 Ų69.450%0.539%0.393SS..Hα-helixtrans-75.2-38.3177.5-67.4179.9175.900111.2C711 D716 K717 I718C711-E714 HydrophobicContact CB-CG 4.19Å; C711-E714 WeakPolarHBondContact O-CB 3.22Å; C711-E714 PolarHBondContact O-N 3.46Å; E714-D716 VanDerWaalsContact C-N 3.27Å; E714-D716 PolarHBondContact O-N 2.92Å; E714-K717 PolarHBondContact O-N 3.36Å; E714-I718 WeakPolarHBondContact O-CD1 3.29Å; E714-I718 VanDerWaalsContact O-CG1 3.24Å; E714-I718 WeakPolarHBondContact O-CG1 3.14Å; E714-I718 PolarHBondContact O-N 2.68Å
715S71.8Confident71.2Confident30 Ų3073.6 Ų73.621%0.2142%0.415CS..Hα-helixtrans-62.6-36.1174.348.40000112.1C711 P712 T719C711-S715 PolarHBondContact O-N 3.11Å; P712-S715 WeakPolarHBondContact CA-OG 3.48Å; P712-S715 PolarHBondContact O-OG 3.39Å; S715-T719 WeakPolarHBondContact O-CB 3.25Å; S715-T719 PolarHBondContact O-N 3.22Å; S715-T719 PolarHBondContact O-OG1 3.28Å
716D77Confident72.6Confident2 Ų272 Ų721%0.01140%0.398CS..Hα-helixtrans-65.1-48.5175.9-64.4-14.3000111.4P712 E714 I718 T719 A720 Y752 R773 C780P712-D716 PolarHBondContact O-N 3.08Å; E714-D716 VanDerWaalsContact C-N 3.27Å; E714-D716 PolarHBondContact O-N 2.92Å; D716-I718 VanDerWaalsContact C-N 3.34Å; D716-I718 PolarHBondContact O-N 3.08Å; D716-T719 PolarHBondContact O-N 3Å; D716-A720 WeakPolarHBondContact O-CB 3.5Å; D716-A720 PolarHBondContact O-N 3.13Å; D716-Y752 VanDerWaalsContact CA-OH 3.31Å; D716-Y752 WeakPolarHBondContact CA-OH 3.23Å; D716-Y752 PolarHBondContact OD1-OH 3.42Å; D716-R773 VanDerWaalsContact CG-NH2 3.31Å; D716-R773 IonicContact OD1-CZ 2.78Å; D716-R773 IonicContact OD1-NH1 2.8Å; D716-R773 IonicContact OD1-NH2 3.22Å; D716-R773 PolarHBondContact OD1-NH2 3.48Å; D716-R773 IonicContact OD2-CZ 3.92Å; D716-R773 VanDerWaalsContact OD2-CZ 3.22Å; D716-R773 IonicContact OD2-NH1 2.65Å; D716-R773 PolarHBondContact OD2-NH1 3.09Å; D716-R773 IonicContact OD2-NH2 3.84Å; D716-R773 PolarHBondContact OD2-NH2 3.03Å; D716-C780 HydrophobicContact CB-CB 4.17Å
717K81.5Confident73.9Confident133 Ų13367.2 Ų67.258%0.57836%0.364SS*.Hα-helixtrans-61.4-41178.8-72.3173.7-176.8173.50112.4E713 E714 S721E713-K717 WeakPolarHBondContact O-CG 3.39Å; E713-K717 PolarHBondContact O-N 3.26Å; E714-K717 PolarHBondContact O-N 3.36Å; K717-S721 WeakPolarHBondContact O-CB 3.5Å; K717-S721 PolarHBondContact O-N 3.33Å
718I78.9Confident75.2Confident51 Ų5168.2 Ų68.226%0.26238%0.377SS..Hα-helixtrans-65.8-44.8177.8-66.7164.6000110.5L707 K710 E714 D716 S721 K722L707-I718 HydrophobicContact CD2-CD1 3.73Å; K710-I718 HydrophobicContact CD-CD1 4.16Å; E714-I718 WeakPolarHBondContact O-CD1 3.29Å; E714-I718 VanDerWaalsContact O-CG1 3.24Å; E714-I718 WeakPolarHBondContact O-CG1 3.14Å; E714-I718 PolarHBondContact O-N 2.68Å; D716-I718 VanDerWaalsContact C-N 3.34Å; D716-I718 PolarHBondContact O-N 3.08Å; I718-S721 PolarHBondContact O-N 3.15Å; I718-K722 PolarHBondContact O-N 3.35Å; I718-K722 VanDerWaalsContact O-N 3.09Å
719T82.3Confident76.2Confident3 Ų364.4 Ų64.42%0.01836%0.362CS..Hα-helixtrans-66.2-43.9179.5-54.70000111I701 T704 S715 D716 S721 K722 F723 Y752 I781I701-T719 HydrophobicContact CG1-CG2 4.26Å; T704-T719 HydrophobicContact CG2-CG2 3.89Å; T704-T719 VanDerWaalsContact CG2-OG1 3.32Å; T704-T719 WeakPolarHBondContact CG2-OG1 3.15Å; T704-T719 PolarHBondContact OG1-OG1 2.95Å; T704-T719 VanDerWaalsContact OG1-OG1 3.04Å; S715-T719 WeakPolarHBondContact O-CB 3.25Å; S715-T719 PolarHBondContact O-N 3.22Å; S715-T719 PolarHBondContact O-OG1 3.28Å; D716-T719 PolarHBondContact O-N 3Å; T719-S721 VanDerWaalsContact C-N 3.33Å; T719-S721 PolarHBondContact O-N 3.18Å; T719-K722 PolarHBondContact O-N 2.9Å; T719-F723 VanDerWaalsContact O-CB 3.32Å; T719-F723 WeakPolarHBondContact O-CB 3.29Å; T719-F723 PolarHBondContact O-N 2.95Å; T719-Y752 HydrophobicContact CG2-CD2 4.19Å; T719-Y752 HydrophobicContact CG2-CE2 3.69Å; T719-I781 HydrophobicContact CG2-CD1 4.36Å
720A82.6Confident77.1Confident6 Ų663.8 Ų63.85%0.0534%0.336CS..Hα-helixtrans-59.1-42174.200000112.6D716 F723 N724 C780 I781D716-A720 WeakPolarHBondContact O-CB 3.5Å; D716-A720 PolarHBondContact O-N 3.13Å; A720-F723 PolarHBondContact O-N 3.44Å; A720-N724 WeakPolarHBondContact O-CB 3.44Å; A720-N724 PolarHBondContact O-N 3.38Å; A720-N724 PolarHBondContact O-ND2 2.89Å; A720-C780 HydrophobicContact CB-CB 4.45Å; A720-C780 WeakPolarHBondContact CB-O 3.47Å; A720-I781 HydrophobicContact CB-CD1 4.3Å
721S83.3Confident77.6Confident80 Ų8062 Ų6256%0.55934%0.335SS*.Hα-helixtrans-62.9-44.4176.4-1730000111.9K717 I718 T719 D725K717-S721 WeakPolarHBondContact O-CB 3.5Å; K717-S721 PolarHBondContact O-N 3.33Å; I718-S721 PolarHBondContact O-N 3.15Å; T719-S721 VanDerWaalsContact C-N 3.33Å; T719-S721 PolarHBondContact O-N 3.18Å; S721-D725 VanDerWaalsContact O-CB 3.23Å; S721-D725 WeakPolarHBondContact O-CB 3.02Å; S721-D725 PolarHBondContact O-N 2.87Å
722K84.3Confident77.9Confident102 Ų10261.5 Ų61.544%0.44333%0.327SS..Hα-helixtrans-64.8-40.7176.6-70.8178.8179.5179.70111.9I718 T719 Y726I718-K722 PolarHBondContact O-N 3.35Å; I718-K722 VanDerWaalsContact O-N 3.09Å; T719-K722 PolarHBondContact O-N 2.9Å; K722-Y726 PolarHBondContact O-N 3.5Å
723F85.1Confident77.9Confident2 Ų261.5 Ų61.51%0.00932%0.324CS..Hα-helixtrans-63.4-48.9178.2-168.7-92.7000111.2L697 I701 T719 A720 Y726 L727 V748 I749 I781 P783L697-F723 HydrophobicContact CB-CE2 3.99Å; L697-F723 HydrophobicContact CD1-CE2 4.02Å; L697-F723 HydrophobicContact CD1-CZ 4.06Å; L697-F723 HydrophobicContact CD2-CD2 3.79Å; L697-F723 HydrophobicContact CD2-CE2 3.63Å; L697-F723 HydrophobicContact CD2-CG 4.47Å; L697-F723 HydrophobicContact CD2-CZ 4.2Å; L697-F723 HydrophobicContact CG-CE2 4.09Å; I701-F723 HydrophobicContact CD1-CD2 4.17Å; I701-F723 HydrophobicContact CD1-CE2 4.21Å; I701-F723 HydrophobicContact CG1-CD2 4.44Å; T719-F723 VanDerWaalsContact O-CB 3.32Å; T719-F723 WeakPolarHBondContact O-CB 3.29Å; T719-F723 PolarHBondContact O-N 2.95Å; A720-F723 PolarHBondContact O-N 3.44Å; F723-Y726 PolarHBondContact O-N 3.13Å; F723-L727 HydrophobicContact CD1-CD1 3.79Å; F723-L727 HydrophobicContact CD1-CG 4.34Å; F723-L727 HydrophobicContact CE1-CD1 3.44Å; F723-L727 VanDerWaalsContact CE1-CD1 3.44Å; F723-L727 HydrophobicContact CE1-CG 4.21Å; F723-L727 HydrophobicContact CZ-CD1 4.25Å; F723-L727 WeakPolarHBondContact O-CG 3.5Å; F723-L727 PolarHBondContact O-N 3.35Å; F723-V748 HydrophobicContact CE2-CG1 3.88Å; F723-I749 HydrophobicContact CE1-CD1 4.42Å; F723-I749 HydrophobicContact CE1-CG1 4.39Å; F723-I749 HydrophobicContact CZ-CD1 4.43Å; F723-I749 HydrophobicContact CZ-CG1 4.08Å; F723-I781 HydrophobicContact CB-CD1 4.22Å; F723-I781 HydrophobicContact CG-CD1 4.27Å; F723-P783 HydrophobicContact CD1-CG 3.77Å; F723-P783 HydrophobicContact CE1-CG 3.45Å; F723-P783 VanDerWaalsContact CE1-CG 3.45Å
724N84.1Confident77.5Confident50 Ų5060.4 Ų60.427%0.26734%0.336SS..Hα-helixtrans-66.9-36.2177.8-75.7-29.8000113.1A720 L727 S728 P783A720-N724 WeakPolarHBondContact O-CB 3.44Å; A720-N724 PolarHBondContact O-N 3.38Å; A720-N724 PolarHBondContact O-ND2 2.89Å; N724-L727 PolarHBondContact O-N 3.3Å; N724-S728 WeakPolarHBondContact O-CB 3.44Å; N724-S728 PolarHBondContact O-N 3.23Å; N724-S728 PolarHBondContact O-OG 3.32Å; N724-P783 WeakPolarHBondContact OD1-CA 3.38Å; N724-P783 WeakPolarHBondContact OD1-CB 3.19Å
725D85.6Confident77.4Confident102 Ų10261.3 Ų61.355%0.54533%0.334SS..Hα-helixtrans-61.9-44.5173.7-175.452.1000110.9S721 L727 S728 N729S721-D725 VanDerWaalsContact O-CB 3.23Å; S721-D725 WeakPolarHBondContact O-CB 3.02Å; S721-D725 PolarHBondContact O-N 2.87Å; D725-L727 PolarHBondContact O-N 3.04Å; D725-S728 PolarHBondContact O-N 3.3Å; D725-N729 PolarHBondContact O-N 3.26Å; D725-N729 PolarHBondContact O-ND2 3.34Å
726Y83.5Confident77.4Confident41 Ų4160.6 Ų60.616%0.16133%0.328CS..Hα-helixtrans-63.4-43.9176-169.3-91.8000112.6L693 E696 L697 L700 K722 F723 S728 N729 H730L693-Y726 HydrophobicContact CD2-CE1 3.77Å; E696-Y726 HydrophobicContact CB-CE1 4.24Å; E696-Y726 HydrophobicContact CB-CE2 4.33Å; E696-Y726 VanDerWaalsContact CB-OH 3.24Å; E696-Y726 WeakPolarHBondContact CB-OH 3.34Å; E696-Y726 WeakPolarHBondContact CG-OH 3.49Å; L697-Y726 HydrophobicContact CD2-CD1 3.42Å; L697-Y726 VanDerWaalsContact CD2-CD1 3.42Å; L697-Y726 HydrophobicContact CD2-CE1 4.04Å; L697-Y726 HydrophobicContact CD2-CG 4.14Å; L697-Y726 HydrophobicContact CG-CD1 4.13Å; L697-Y726 HydrophobicContact CG-CE1 4.26Å; L700-Y726 HydrophobicContact CD1-CD1 4.41Å; L700-Y726 HydrophobicContact CD1-CD2 3.86Å; L700-Y726 HydrophobicContact CD1-CG 3.75Å; K722-Y726 PolarHBondContact O-N 3.5Å; F723-Y726 PolarHBondContact O-N 3.13Å; Y726-S728 VanDerWaalsContact C-N 3.31Å; Y726-S728 PolarHBondContact O-N 2.84Å; Y726-N729 PolarHBondContact O-N 2.86Å; Y726-H730 AromaticContact CD1-CD2 3.89Å; Y726-H730 AromaticContact CE1-CD2 3.46Å; Y726-H730 VanDerWaalsContact CE1-CD2 3.46Å; Y726-H730 WeakPolarHBondContact CE1-CD2 2.96Å; Y726-H730 AromaticContact CE2-NE2 3.91Å; Y726-H730 AromaticContact CZ-CD2 3.51Å; Y726-H730 AromaticContact CZ-NE2 3.55Å; Y726-H730 PolarHBondContact O-CD2 2.88Å; Y726-H730 PolarHBondContact O-N 2.85Å; Y726-H730 PolarHBondContact OH-NE2 3.24Å
727L82.7Confident77.6Confident6 Ų668.2 Ų68.23%0.03136%0.357CS..Hα-helixtrans-66.6-31.9177.4-68.5-176.3000113L697 F723 N724 D725 N729 H730 Y741 P783L697-L727 HydrophobicContact CD1-CD2 3.95Å; L697-L727 HydrophobicContact CD2-CD2 4.13Å; F723-L727 HydrophobicContact CD1-CD1 3.79Å; F723-L727 HydrophobicContact CD1-CG 4.34Å; F723-L727 HydrophobicContact CE1-CD1 3.44Å; F723-L727 VanDerWaalsContact CE1-CD1 3.44Å; F723-L727 HydrophobicContact CE1-CG 4.21Å; F723-L727 HydrophobicContact CZ-CD1 4.25Å; F723-L727 WeakPolarHBondContact O-CG 3.5Å; F723-L727 PolarHBondContact O-N 3.35Å; N724-L727 PolarHBondContact O-N 3.3Å; D725-L727 PolarHBondContact O-N 3.04Å; L727-N729 PolarHBondContact O-N 3.31Å; L727-H730 CarbonylContact O-C 3.45Å; L727-H730 VanDerWaalsContact O-C 3.22Å; L727-H730 PolarHBondContact O-N 3.48Å; L727-H730 VanDerWaalsContact O-N 3.09Å; L727-Y741 HydrophobicContact CD2-CE2 4.4Å; L727-Y741 WeakPolarHBondContact CD2-OH 3.47Å; L727-P783 HydrophobicContact CD1-CB 3.8Å; L727-P783 HydrophobicContact CD1-CG 3.34Å
728S79.6Confident77.5Confident89 Ų8962.9 Ų62.962%0.62234%0.337SS*.Hα-helixtrans-65-30.5174.9-59.10000112N724 D725 Y726 H730N724-S728 WeakPolarHBondContact O-CB 3.44Å; N724-S728 PolarHBondContact O-N 3.23Å; N724-S728 PolarHBondContact O-OG 3.32Å; D725-S728 PolarHBondContact O-N 3.3Å; Y726-S728 VanDerWaalsContact C-N 3.31Å; Y726-S728 PolarHBondContact O-N 2.84Å; S728-H730 VanDerWaalsContact C-N 3.33Å
729N76.2Confident77.8Confident110 Ų11061.6 Ų61.659%0.58833%0.333SS*.Hα-helixtrans-79-15.6174.4-66.9-43.6000113.4D725 Y726 L727 P731D725-N729 PolarHBondContact O-N 3.26Å; D725-N729 PolarHBondContact O-ND2 3.34Å; Y726-N729 PolarHBondContact O-N 2.86Å; L727-N729 PolarHBondContact O-N 3.31Å; N729-P731 VanDerWaalsContact C-CD 3.47Å; N729-P731 WeakPolarHBondContact O-CD 3.2Å
730H74.6Confident78Confident73 Ų7364.2 Ų64.234%0.33835%0.347SS..SBendtrans-125.469.7-179.3-69.3-71.1000111.5L693 Y726 L727 S728L693-H730 HydrophobicContact CD2-CB 3.67Å; Y726-H730 AromaticContact CD1-CD2 3.89Å; Y726-H730 AromaticContact CE1-CD2 3.46Å; Y726-H730 VanDerWaalsContact CE1-CD2 3.46Å; Y726-H730 WeakPolarHBondContact CE1-CD2 2.96Å; Y726-H730 AromaticContact CE2-NE2 3.91Å; Y726-H730 AromaticContact CZ-CD2 3.51Å; Y726-H730 AromaticContact CZ-NE2 3.55Å; Y726-H730 PolarHBondContact O-CD2 2.88Å; Y726-H730 PolarHBondContact O-N 2.85Å; Y726-H730 PolarHBondContact OH-NE2 3.24Å; L727-H730 CarbonylContact O-C 3.45Å; L727-H730 VanDerWaalsContact O-C 3.22Å; L727-H730 PolarHBondContact O-N 3.48Å; L727-H730 VanDerWaalsContact O-N 3.09Å; S728-H730 VanDerWaalsContact C-N 3.33Å
731P70.6Confident78.2Confident62 Ų6264 Ų6440%0.40335%0.345SS..  trans-65.8157.3178.628.6-34.9000112.1N729 D733N729-P731 VanDerWaalsContact C-CD 3.47Å; N729-P731 WeakPolarHBondContact O-CD 3.2Å; P731-D733 VanDerWaalsContact C-N 3.31Å; P731-D733 PolarHBondContact O-N 3.09Å
732I66.4Low78.4Confident56 Ų5660.2 Ų60.229%0.28732%0.318SS..  trans-72.988.6174.3-56169.6000108.1Y741 V785 V789I732-Y741 HydrophobicContact CD1-CD1 3.62Å; I732-Y741 HydrophobicContact CD1-CD2 4.3Å; I732-Y741 HydrophobicContact CD1-CE1 3.69Å; I732-Y741 HydrophobicContact CD1-CE2 4.35Å; I732-Y741 HydrophobicContact CD1-CG 3.93Å; I732-Y741 HydrophobicContact CG1-CD1 3.98Å; I732-Y741 HydrophobicContact CG1-CD2 3.71Å; I732-Y741 HydrophobicContact CG1-CE1 4.02Å; I732-Y741 HydrophobicContact CG1-CE2 3.74Å; I732-Y741 HydrophobicContact CG1-CG 3.81Å; I732-V785 HydrophobicContact CD1-CG1 3.86Å; I732-V785 HydrophobicContact CG1-CG1 4.48Å; I732-V789 HydrophobicContact CD1-CB 4.49Å; I732-V789 HydrophobicContact CD1-CG2 3.18Å
733D66.4Low78.7Confident66 Ų6658.4 Ų58.435%0.35331%0.311SS..  trans-98.1176.6173-61-32000110.9P731 R735 I736P731-D733 VanDerWaalsContact C-N 3.31Å; P731-D733 PolarHBondContact O-N 3.09Å; D733-R735 PolarHBondContact O-N 3.26Å; D733-R735 IonicContact OD2-CZ 3.63Å; D733-R735 IonicContact OD2-NE 3.55Å; D733-R735 IonicContact OD2-NH2 2.68Å; D733-R735 PolarHBondContact OD2-NH2 3.48Å; D733-I736 PolarHBondContact O-N 3.32Å; D733-I736 VanDerWaalsContact O-O 3.11Å
734A60.3Low78.8Confident98 Ų9858.4 Ų58.481%0.8131%0.312SS*.THydrogen-bonded Turntrans-50.9-13.9173.500000115.1
735R68.2Low79Confident125 Ų12556 Ų5647%0.47230%0.299SS..THydrogen-bonded Turntrans-73-34.8176.1-65.6179.1-75.6-159.4-1.9113.4I651 D733I651-R735 HydrophobicContact CD1-CG 4.5Å; D733-R735 PolarHBondContact O-N 3.26Å; D733-R735 IonicContact OD2-CZ 3.63Å; D733-R735 IonicContact OD2-NE 3.55Å; D733-R735 IonicContact OD2-NH2 2.68Å; D733-R735 PolarHBondContact OD2-NH2 3.48Å
736I72.7Confident79.3Confident16 Ų1651.2 Ų51.28%0.08227%0.273CS..SBendtrans-121.6121.1-174.3-59.8156.6000108.2P689 L693 D733 D740 Y741P689-I736 HydrophobicContact CB-CD1 4.09Å; P689-I736 HydrophobicContact CB-CG1 3.68Å; P689-I736 HydrophobicContact CG-CG1 3.64Å; L693-I736 HydrophobicContact CD1-CD1 3.42Å; L693-I736 VanDerWaalsContact CD1-CD1 3.42Å; L693-I736 HydrophobicContact CD1-CG1 4.5Å; D733-I736 PolarHBondContact O-N 3.32Å; D733-I736 VanDerWaalsContact O-O 3.11Å; I736-D740 HydrophobicContact CG2-CB 4.32Å; I736-Y741 HydrophobicContact CG2-CD2 4.32Å
737R80.7Confident79.7Confident162 Ų16251.1 Ų51.161%0.61128%0.278SS*.  trans-67141.7172.1-166.1-177.7-68.1161.7-2108.7S739 D740 Y741R737-S739 PolarHBondContact O-N 3.13Å; R737-S739 VanDerWaalsContact O-N 3.08Å; R737-D740 HydrophobicContact CB-CB 4.38Å; R737-D740 WeakPolarHBondContact CB-OD2 3.37Å; R737-D740 PolarHBondContact O-N 2.87Å; R737-Y741 PolarHBondContact O-N 3.4Å
738A80.4Confident80Confident20 Ų2051 Ų5117%0.16528%0.277CS..Hα-helixtrans-54.9-29.817700000114.1I742 V789A738-I742 WeakPolarHBondContact O-CG1 3.41Å; A738-I742 PolarHBondContact O-N 3.47Å; A738-V789 HydrophobicContact CB-CG1 3.95Å
739S85.5Confident80.6Confident24 Ų2446.7 Ų46.717%0.16825%0.247CC..Hα-helixtrans-69.8-47.6173.7171.30000111.2R737 Y741 I742 H743 D799R737-S739 PolarHBondContact O-N 3.13Å; R737-S739 VanDerWaalsContact O-N 3.08Å; S739-Y741 PolarHBondContact O-N 2.94Å; S739-I742 WeakPolarHBondContact O-CB 3.42Å; S739-I742 PolarHBondContact O-N 3.32Å; S739-I742 VanDerWaalsContact O-N 3.12Å; S739-H743 PolarHBondContact O-CD2 3.49Å; S739-H743 PolarHBondContact O-N 2.92Å; S739-H743 VanDerWaalsContact O-N 3.07Å; S739-D799 PolarHBondContact OG-OD2 3.38Å
740D85Confident81.4Confident59 Ų5941.5 Ų41.532%0.31622%0.219SC..Hα-helixtrans-61.6-31.5176.4-54.2-34.6000112.3I736 R737 A744I736-D740 HydrophobicContact CG2-CB 4.32Å; R737-D740 HydrophobicContact CB-CB 4.38Å; R737-D740 WeakPolarHBondContact CB-OD2 3.37Å; R737-D740 PolarHBondContact O-N 2.87Å; D740-A744 WeakPolarHBondContact O-CB 3.36Å; D740-A744 PolarHBondContact O-N 3.24Å
741Y88Confident82.2Confident1 Ų140.3 Ų40.30%0.00421%0.214CC..Hα-helixtrans-66.5-43.6175.2-172.9-97.5000112.3L693 L727 I732 I736 R737 S739 A744 C745 V785L693-Y741 HydrophobicContact CD1-CD2 4.45Å; L727-Y741 HydrophobicContact CD2-CE2 4.4Å; L727-Y741 WeakPolarHBondContact CD2-OH 3.47Å; I732-Y741 HydrophobicContact CD1-CD1 3.62Å; I732-Y741 HydrophobicContact CD1-CD2 4.3Å; I732-Y741 HydrophobicContact CD1-CE1 3.69Å; I732-Y741 HydrophobicContact CD1-CE2 4.35Å; I732-Y741 HydrophobicContact CD1-CG 3.93Å; I732-Y741 HydrophobicContact CG1-CD1 3.98Å; I732-Y741 HydrophobicContact CG1-CD2 3.71Å; I732-Y741 HydrophobicContact CG1-CE1 4.02Å; I732-Y741 HydrophobicContact CG1-CE2 3.74Å; I732-Y741 HydrophobicContact CG1-CG 3.81Å; I736-Y741 HydrophobicContact CG2-CD2 4.32Å; R737-Y741 PolarHBondContact O-N 3.4Å; S739-Y741 PolarHBondContact O-N 2.94Å; Y741-A744 PolarHBondContact O-N 2.65Å; Y741-C745 PolarHBondContact O-N 2.89Å; Y741-C745 PolarHBondContact O-SG 3.49Å; Y741-V785 HydrophobicContact CE1-CG1 4.38Å
742I87.3Confident83.1Confident0 Ų037.5 Ų37.50%020%0.195CC..Hα-helixtrans-61.2-50.9175.9-71.2166.2000109.9A738 S739 A744 C745 L746 L786 V789 L790 R796A738-I742 WeakPolarHBondContact O-CG1 3.41Å; A738-I742 PolarHBondContact O-N 3.47Å; S739-I742 WeakPolarHBondContact O-CB 3.42Å; S739-I742 PolarHBondContact O-N 3.32Å; S739-I742 VanDerWaalsContact O-N 3.12Å; I742-A744 PolarHBondContact O-N 3.43Å; I742-A744 VanDerWaalsContact O-N 3.16Å; I742-C745 PolarHBondContact O-N 3.2Å; I742-C745 VanDerWaalsContact O-N 3.08Å; I742-L746 HydrophobicContact CG2-CD1 3.33Å; I742-L746 HydrophobicContact CG2-CG 3.93Å; I742-L746 WeakPolarHBondContact O-CB 3.44Å; I742-L746 PolarHBondContact O-N 3.16Å; I742-L786 HydrophobicContact CG1-CD1 4.22Å; I742-V789 HydrophobicContact CD1-CG1 3.9Å; I742-V789 HydrophobicContact CG1-CG1 4.03Å; I742-L790 HydrophobicContact CD1-CD2 3.73Å; I742-L790 HydrophobicContact CG1-CD2 4.2Å; I742-L790 HydrophobicContact CG2-CD2 4.4Å; I742-R796 HydrophobicContact CD1-CB 3.49Å; I742-R796 VanDerWaalsContact CD1-CB 3.49Å; I742-R796 HydrophobicContact CD1-CG 3.6Å
743H89.2Confident84.1Confident64 Ų6434.8 Ų34.830%0.29618%0.181SC..Hα-helixtrans-61.9-22.7178.4-67.7-56.8000113.3S739 P747 D803S739-H743 PolarHBondContact O-CD2 3.49Å; S739-H743 PolarHBondContact O-N 2.92Å; S739-H743 VanDerWaalsContact O-N 3.07Å; H743-P747 VanDerWaalsContact O-CD 3.29Å; H743-P747 WeakPolarHBondContact O-CD 3.32Å; H743-P747 WeakPolarHBondContact O-CG 3.34Å; H743-D803 WeakPolarHBondContact CA-OD2 3.3Å; H743-D803 IonicContact CE1-OD1 3.53Å; H743-D803 PolarHBondContact CE1-OD1 3.42Å; H743-D803 VanDerWaalsContact CE1-OD1 3.29Å; H743-D803 IonicContact CE1-OD2 2.69Å; H743-D803 IonicContact CG-OD1 3.59Å; H743-D803 IonicContact CG-OD2 3.92Å; H743-D803 IonicContact ND1-OD1 2.68Å; H743-D803 PolarHBondContact ND1-OD1 2.99Å; H743-D803 IonicContact ND1-OD2 3.64Å; H743-D803 PolarHBondContact ND1-OD2 2.59Å
744A87.8Confident85.2Confident3 Ų333.6 Ų33.63%0.02517%0.172CC..Hα-helixtrans-79.8-40.4173.300000112.8S690 L693 S694 D740 Y741 I742 V748S690-A744 VanDerWaalsContact O-CB 3.28Å; S690-A744 WeakPolarHBondContact O-CB 3.42Å; L693-A744 HydrophobicContact CB-CB 4.37Å; S694-A744 PolarHBondContact OG-O 3.07Å; D740-A744 WeakPolarHBondContact O-CB 3.36Å; D740-A744 PolarHBondContact O-N 3.24Å; Y741-A744 PolarHBondContact O-N 2.65Å; I742-A744 PolarHBondContact O-N 3.43Å; I742-A744 VanDerWaalsContact O-N 3.16Å; A744-V748 WeakPolarHBondContact O-CG2 3.19Å
745C89.4Confident86.4Confident0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-90.6-43.9-170.7-61.10000113.6Y741 I742 V748 I749Y741-C745 PolarHBondContact O-N 2.89Å; Y741-C745 PolarHBondContact O-SG 3.49Å; I742-C745 PolarHBondContact O-N 3.2Å; I742-C745 VanDerWaalsContact O-N 3.08Å; C745-V748 WeakPolarHBondContact O-CB 3.15Å; C745-V748 PolarHBondContact O-N 3Å; C745-I749 PolarHBondContact O-N 3.26Å; C745-I749 VanDerWaalsContact O-N 3.1Å
746L91.3Very high87.1Confident0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-64.2-45.7-172.5-82-177.4000113.8I742 V748 I749 Y750 L786 A800I742-L746 HydrophobicContact CG2-CD1 3.33Å; I742-L746 HydrophobicContact CG2-CG 3.93Å; I742-L746 WeakPolarHBondContact O-CB 3.44Å; I742-L746 PolarHBondContact O-N 3.16Å; L746-V748 PolarHBondContact O-N 3.13Å; L746-V748 VanDerWaalsContact O-N 3.16Å; L746-I749 HydrophobicContact CD2-CD1 4.47Å; L746-I749 PolarHBondContact O-N 2.82Å; L746-Y750 HydrophobicContact CB-CD2 4.4Å; L746-Y750 HydrophobicContact CB-CE2 3.82Å; L746-Y750 WeakPolarHBondContact O-CD2 3.49Å; L746-Y750 VanDerWaalsContact O-CG 3.27Å; L746-Y750 PolarHBondContact O-N 3.48Å; L746-L786 HydrophobicContact CD2-CD2 3.77Å; L746-L786 HydrophobicContact CG-CD2 4.37Å; L746-A800 VanDerWaalsContact CD1-CA 3.44Å; L746-A800 HydrophobicContact CD1-CB 3.23Å
747P91.4Very high87.5Confident40 Ų4024.1 Ų24.126%0.2611%0.114SC..Hα-helixtrans-56-33.5175.3-28.337.5000113.1H743 Y750 E751H743-P747 VanDerWaalsContact O-CD 3.29Å; H743-P747 WeakPolarHBondContact O-CD 3.32Å; H743-P747 WeakPolarHBondContact O-CG 3.34Å; P747-Y750 PolarHBondContact O-N 3.25Å; P747-E751 WeakPolarHBondContact O-CB 3.05Å; P747-E751 PolarHBondContact O-N 3.29Å
748V90.3Very high87.4Confident2 Ų217.9 Ų17.91%0.0129%0.093CC..Hα-helixtrans-71.1-40.6177.7-179.80000111.5L697 S698 I701 F723 A744 C745 L746 E751 Y752L697-V748 HydrophobicContact CB-CB 4.45Å; L697-V748 HydrophobicContact CB-CG1 3.97Å; L697-V748 HydrophobicContact CB-CG2 4.14Å; S698-V748 WeakPolarHBondContact OG-CG2 3.21Å; I701-V748 HydrophobicContact CD1-CG1 3.31Å; I701-V748 HydrophobicContact CG1-CG1 4.04Å; F723-V748 HydrophobicContact CE2-CG1 3.88Å; A744-V748 WeakPolarHBondContact O-CG2 3.19Å; C745-V748 WeakPolarHBondContact O-CB 3.15Å; C745-V748 PolarHBondContact O-N 3Å; L746-V748 PolarHBondContact O-N 3.13Å; L746-V748 VanDerWaalsContact O-N 3.16Å; V748-E751 WeakPolarHBondContact O-CB 3.48Å; V748-E751 PolarHBondContact O-N 3.39Å; V748-Y752 PolarHBondContact O-N 2.95Å
749I90.9Very high87.3Confident0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-63.7-44.8172.5-67168.2000110.3F723 C745 L746 E751 Y752 I753 W778 I781 L786F723-I749 HydrophobicContact CE1-CD1 4.42Å; F723-I749 HydrophobicContact CE1-CG1 4.39Å; F723-I749 HydrophobicContact CZ-CD1 4.43Å; F723-I749 HydrophobicContact CZ-CG1 4.08Å; C745-I749 PolarHBondContact O-N 3.26Å; C745-I749 VanDerWaalsContact O-N 3.1Å; L746-I749 HydrophobicContact CD2-CD1 4.47Å; L746-I749 PolarHBondContact O-N 2.82Å; I749-E751 VanDerWaalsContact C-N 3.31Å; I749-E751 PolarHBondContact O-N 3.43Å; I749-Y752 WeakPolarHBondContact O-CB 3.24Å; I749-Y752 PolarHBondContact O-N 3.1Å; I749-Y752 VanDerWaalsContact O-N 3.13Å; I749-I753 HydrophobicContact CG2-CG1 4.3Å; I749-I753 WeakPolarHBondContact O-CG1 3.36Å; I749-I753 PolarHBondContact O-N 2.91Å; I749-W778 HydrophobicContact CG2-CE3 4.35Å; I749-W778 HydrophobicContact CG2-CH2 3.84Å; I749-W778 HydrophobicContact CG2-CZ3 3.74Å; I749-I781 HydrophobicContact CG2-CG2 3.84Å; I749-L786 HydrophobicContact CD1-CD2 3.43Å; I749-L786 VanDerWaalsContact CD1-CD2 3.43Å
750Y93.2Very high86.5Confident0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-61.4-39.3176.6-60.1-40.2000112.1L746 P747 Y752 I753 Y754 W778 A800 D803 L804 F807L746-Y750 HydrophobicContact CB-CD2 4.4Å; L746-Y750 HydrophobicContact CB-CE2 3.82Å; L746-Y750 WeakPolarHBondContact O-CD2 3.49Å; L746-Y750 VanDerWaalsContact O-CG 3.27Å; L746-Y750 PolarHBondContact O-N 3.48Å; P747-Y750 PolarHBondContact O-N 3.25Å; Y750-Y752 VanDerWaalsContact C-N 3.34Å; Y750-Y752 PolarHBondContact O-N 3.01Å; Y750-I753 PolarHBondContact O-N 2.79Å; Y750-Y754 WeakPolarHBondContact O-CB 3.3Å; Y750-Y754 PolarHBondContact O-N 3.29Å; Y750-W778 AromaticContact CD1-CH2 3.73Å; Y750-W778 HydrophobicContact CD1-CH2 3.73Å; Y750-W778 AromaticContact CD1-CZ2 3.9Å; Y750-W778 HydrophobicContact CD1-CZ2 3.9Å; Y750-W778 AromaticContact CE1-CH2 3.49Å; Y750-W778 HydrophobicContact CE1-CH2 3.49Å; Y750-W778 VanDerWaalsContact CE1-CH2 3.49Å; Y750-W778 AromaticContact CE1-CZ2 3.92Å; Y750-W778 HydrophobicContact CE1-CZ2 3.92Å; Y750-A800 PolarHBondContact OH-O 3.34Å; Y750-D803 HydrophobicContact CE2-CB 4.03Å; Y750-L804 HydrophobicContact CD1-CD1 3.86Å; Y750-L804 HydrophobicContact CD2-CB 4.42Å; Y750-L804 HydrophobicContact CD2-CD1 4.26Å; Y750-L804 HydrophobicContact CE1-CB 4.21Å; Y750-L804 HydrophobicContact CE1-CD1 3.85Å; Y750-L804 HydrophobicContact CE1-CD2 4.45Å; Y750-L804 HydrophobicContact CE1-CG 4.38Å; Y750-L804 HydrophobicContact CE2-CB 3.75Å; Y750-L804 HydrophobicContact CE2-CD1 4.3Å; Y750-L804 HydrophobicContact CG-CD1 4.08Å; Y750-F807 VanDerWaalsContact C-CZ 3.43Å; Y750-F807 HydrophobicContact CD2-CB 4.25Å; Y750-F807 HydrophobicContact CD2-CG 4.39Å; Y750-F807 HydrophobicContact CG-CG 4.46Å; Y750-F807 WeakPolarHBondContact O-CZ 3.34Å
751E90.9Very high85.8Confident49 Ų4924.3 Ų24.323%0.22913%0.126CC..Hα-helixtrans-59.4-44.3172.8-171.567.4-155.600111.5M702 P747 V748 I749 Y754 R755 F807 K811M702-E751 HydrophobicContact CE-CG 3.52Å; P747-E751 WeakPolarHBondContact O-CB 3.05Å; P747-E751 PolarHBondContact O-N 3.29Å; V748-E751 WeakPolarHBondContact O-CB 3.48Å; V748-E751 PolarHBondContact O-N 3.39Å; I749-E751 VanDerWaalsContact C-N 3.31Å; I749-E751 PolarHBondContact O-N 3.43Å; E751-Y754 PolarHBondContact O-N 3.32Å; E751-R755 WeakPolarHBondContact O-CB 3.31Å; E751-R755 PolarHBondContact O-N 3.42Å; E751-F807 HydrophobicContact CB-CE2 4.06Å; E751-F807 HydrophobicContact CB-CZ 4.42Å; E751-F807 WeakPolarHBondContact OE2-CE2 3.39Å; E751-K811 IonicContact OE1-NZ 3.79Å; E751-K811 PolarHBondContact OE1-NZ 2.63Å; E751-K811 WeakPolarHBondContact OE2-CE 3.26Å; E751-K811 IonicContact OE2-NZ 3.86Å; E751-K811 PolarHBondContact OE2-NZ 2.89Å
752Y89.6Confident84.7Confident2 Ų225.6 Ų25.61%0.00814%0.139CC..Hα-helixtrans-60.1-51.2176.3-171.2-99.8000112.1I701 D716 T719 V748 I749 Y750 Y754 R755 V756 A777 I781I701-Y752 HydrophobicContact CD1-CD2 4.1Å; I701-Y752 HydrophobicContact CD1-CG 4.35Å; I701-Y752 HydrophobicContact CG1-CD2 4.49Å; I701-Y752 HydrophobicContact CG2-CD2 3.73Å; D716-Y752 VanDerWaalsContact CA-OH 3.31Å; D716-Y752 WeakPolarHBondContact CA-OH 3.23Å; D716-Y752 PolarHBondContact OD1-OH 3.42Å; T719-Y752 HydrophobicContact CG2-CD2 4.19Å; T719-Y752 HydrophobicContact CG2-CE2 3.69Å; V748-Y752 PolarHBondContact O-N 2.95Å; I749-Y752 WeakPolarHBondContact O-CB 3.24Å; I749-Y752 PolarHBondContact O-N 3.1Å; I749-Y752 VanDerWaalsContact O-N 3.13Å; Y750-Y752 VanDerWaalsContact C-N 3.34Å; Y750-Y752 PolarHBondContact O-N 3.01Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y752-Y754 PolarHBondContact O-N 2.89Å; Y752-R755 PolarHBondContact O-N 2.86Å; Y752-V756 HydrophobicContact CD1-CG2 4.07Å; Y752-V756 HydrophobicContact CE1-CG2 3.6Å; Y752-V756 HydrophobicContact CE2-CG2 4.29Å; Y752-V756 WeakPolarHBondContact O-CB 3.41Å; Y752-V756 WeakPolarHBondContact O-CG2 3.48Å; Y752-V756 PolarHBondContact O-N 2.77Å; Y752-A777 HydrophobicContact CE1-CB 4.18Å; Y752-I781 HydrophobicContact CD1-CB 4.2Å; Y752-I781 HydrophobicContact CD1-CD1 4.48Å; Y752-I781 HydrophobicContact CD1-CG1 4.01Å; Y752-I781 HydrophobicContact CD1-CG2 4.41Å; Y752-I781 HydrophobicContact CE1-CB 4.48Å; Y752-I781 HydrophobicContact CG-CG1 4.28Å
753I88.4Confident83.5Confident0 Ų030.7 Ų30.70%018%0.175CC..Hα-helixtrans-63.6-41.2-179.4-63.2-61.9000110.9I749 Y750 R755 G757 E774 A777 W778 I781 F817I749-I753 HydrophobicContact CG2-CG1 4.3Å; I749-I753 WeakPolarHBondContact O-CG1 3.36Å; I749-I753 PolarHBondContact O-N 2.91Å; Y750-I753 PolarHBondContact O-N 2.79Å; I753-R755 VanDerWaalsContact C-N 3.34Å; I753-R755 PolarHBondContact O-N 3.08Å; I753-G757 PolarHBondContact O-N 3.46Å; I753-E774 HydrophobicContact CG2-CB 4.29Å; I753-E774 HydrophobicContact CG2-CG 4.07Å; I753-A777 HydrophobicContact CD1-CB 3.52Å; I753-W778 HydrophobicContact CD1-CB 4.47Å; I753-W778 HydrophobicContact CD1-CD2 4.1Å; I753-W778 HydrophobicContact CD1-CG 3.85Å; I753-W778 HydrophobicContact CG1-CD2 4.14Å; I753-W778 HydrophobicContact CG1-CG 4.37Å; I753-W778 HydrophobicContact CG1-CZ2 3.98Å; I753-I781 HydrophobicContact CD1-CG2 4.22Å; I753-F817 HydrophobicContact CG2-CE2 4.18Å; I753-F817 HydrophobicContact CG2-CZ 4.47Å
754Y89Confident82.1Confident40 Ų4035.8 Ų35.816%0.15720%0.203CC..Hα-helixtrans-60.8-44.1175.4177.9-97.4000111.7Y750 E751 Y752 I758 V759 F807 K811 P814 F817Y750-Y754 WeakPolarHBondContact O-CB 3.3Å; Y750-Y754 PolarHBondContact O-N 3.29Å; E751-Y754 PolarHBondContact O-N 3.32Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y752-Y754 PolarHBondContact O-N 2.89Å; Y754-I758 HydrophobicContact CD2-CB 4.31Å; Y754-I758 HydrophobicContact CD2-CG1 4.08Å; Y754-I758 HydrophobicContact CE2-CB 4.07Å; Y754-I758 HydrophobicContact CE2-CG1 4.02Å; Y754-I758 HydrophobicContact CE2-CG2 4.2Å; Y754-I758 WeakPolarHBondContact O-CB 3.34Å; Y754-I758 PolarHBondContact O-N 2.91Å; Y754-V759 HydrophobicContact CD1-CG2 4.21Å; Y754-V759 HydrophobicContact CE1-CG2 3.91Å; Y754-V759 PolarHBondContact O-N 3.23Å; Y754-F807 HydrophobicContact CD2-CE1 4.41Å; Y754-F807 HydrophobicContact CG-CE1 4.24Å; Y754-F807 HydrophobicContact CG-CZ 4.14Å; Y754-K811 HydrophobicContact CD1-CD 4.14Å; Y754-K811 HydrophobicContact CD1-CG 4.42Å; Y754-K811 HydrophobicContact CD2-CB 4.39Å; Y754-K811 HydrophobicContact CD2-CG 4.14Å; Y754-K811 HydrophobicContact CE1-CD 3.9Å; Y754-K811 HydrophobicContact CE1-CG 4.35Å; Y754-K811 HydrophobicContact CE2-CB 3.92Å; Y754-K811 HydrophobicContact CE2-CD 4.47Å; Y754-K811 HydrophobicContact CE2-CG 4.06Å; Y754-K811 HydrophobicContact CG-CG 4.32Å; Y754-P814 HydrophobicContact CE2-CG 4.06Å; Y754-F817 HydrophobicContact CD2-CD2 4.42Å; Y754-F817 HydrophobicContact CD2-CE1 4.34Å; Y754-F817 HydrophobicContact CD2-CE2 4.11Å; Y754-F817 HydrophobicContact CD2-CZ 4.06Å; Y754-F817 HydrophobicContact CG-CZ 4.45Å
755R85.5Confident81.3Confident39 Ų3937.5 Ų37.515%0.14722%0.215CC..Iπ-helixtrans-64.2-52.8177.7-171-1795965.15.2111.2E751 Y752 I753 G757 V759 D760E751-R755 WeakPolarHBondContact O-CB 3.31Å; E751-R755 PolarHBondContact O-N 3.42Å; Y752-R755 PolarHBondContact O-N 2.86Å; I753-R755 VanDerWaalsContact C-N 3.34Å; I753-R755 PolarHBondContact O-N 3.08Å; R755-G757 VanDerWaalsContact C-N 3.33Å; R755-G757 PolarHBondContact O-N 2.85Å; R755-V759 HydrophobicContact CG-CB 4.06Å; R755-V759 HydrophobicContact CG-CG1 4.4Å; R755-V759 HydrophobicContact CG-CG2 4.41Å; R755-V759 CarbonylContact O-C 3.51Å; R755-V759 WeakPolarHBondContact O-CA 3.44Å; R755-V759 VanDerWaalsContact O-CB 3.3Å; R755-V759 WeakPolarHBondContact O-CB 3.39Å; R755-V759 PolarHBondContact O-N 3.19Å; R755-D760 IonicContact CZ-OD2 3.68Å; R755-D760 IonicContact NH1-OD1 3.8Å; R755-D760 IonicContact NH1-OD2 3.63Å; R755-D760 PolarHBondContact NH1-OD2 3.2Å; R755-D760 PolarHBondContact O-N 3.13Å
756V82.8Confident80.7Confident1 Ų139.8 Ų39.81%0.00623%0.231CC..Iπ-helixtrans-59.4-42.4179.7165.30000112.2Y752 L761 R773 A777Y752-V756 HydrophobicContact CD1-CG2 4.07Å; Y752-V756 HydrophobicContact CE1-CG2 3.6Å; Y752-V756 HydrophobicContact CE2-CG2 4.29Å; Y752-V756 WeakPolarHBondContact O-CB 3.41Å; Y752-V756 WeakPolarHBondContact O-CG2 3.48Å; Y752-V756 PolarHBondContact O-N 2.77Å; V756-L761 WeakPolarHBondContact O-CD1 3.22Å; V756-R773 HydrophobicContact CG1-CG 3.78Å; V756-R773 VanDerWaalsContact CG1-NH1 3.32Å; V756-A777 HydrophobicContact CG1-CB 4.03Å
757G80.5Confident80Confident0 Ų043.3 Ų43.30%025%0.254CS..Iπ-helixtrans-78.4-56.9-178.300000113.2I753 R755 L761 L770I753-G757 PolarHBondContact O-N 3.46Å; R755-G757 VanDerWaalsContact C-N 3.33Å; R755-G757 PolarHBondContact O-N 2.85Å; G757-L761 WeakPolarHBondContact O-CB 3.44Å; G757-L770 WeakPolarHBondContact O-CD2 3.36Å
758I80.1Confident79.5Confident32 Ų3243.5 Ų43.516%0.16426%0.255CS..Iπ-helixtrans-93.2-41.5-168.8-59.6-61.7000112.5Y754 G762 L770 F817Y754-I758 HydrophobicContact CD2-CB 4.31Å; Y754-I758 HydrophobicContact CD2-CG1 4.08Å; Y754-I758 HydrophobicContact CE2-CB 4.07Å; Y754-I758 HydrophobicContact CE2-CG1 4.02Å; Y754-I758 HydrophobicContact CE2-CG2 4.2Å; Y754-I758 WeakPolarHBondContact O-CB 3.34Å; Y754-I758 PolarHBondContact O-N 2.91Å; I758-G762 CarbonylContact O-C 3.6Å; I758-G762 WeakPolarHBondContact O-CA 3.14Å; I758-G762 PolarHBondContact O-N 2.94Å; I758-L770 HydrophobicContact CD1-CD1 4.43Å; I758-F817 HydrophobicContact CG1-CD2 4.2Å
759V76.4Confident79.2Confident90 Ų9046.5 Ų46.555%0.54527%0.273SS..Iπ-helixtrans-78.8-52.2-173.4-178.20000110.7Y754 R755Y754-V759 HydrophobicContact CD1-CG2 4.21Å; Y754-V759 HydrophobicContact CE1-CG2 3.91Å; Y754-V759 PolarHBondContact O-N 3.23Å; R755-V759 HydrophobicContact CG-CB 4.06Å; R755-V759 HydrophobicContact CG-CG1 4.4Å; R755-V759 HydrophobicContact CG-CG2 4.41Å; R755-V759 CarbonylContact O-C 3.51Å; R755-V759 WeakPolarHBondContact O-CA 3.44Å; R755-V759 VanDerWaalsContact O-CB 3.3Å; R755-V759 WeakPolarHBondContact O-CB 3.39Å; R755-V759 PolarHBondContact O-N 3.19Å
760D70.5Confident78.9Confident90 Ų9047 Ų4748%0.48128%0.276SS..Iπ-helixtrans-74.5-43.1-173.4-63.2-10.3000112R755R755-D760 IonicContact CZ-OD2 3.68Å; R755-D760 IonicContact NH1-OD1 3.8Å; R755-D760 IonicContact NH1-OD2 3.63Å; R755-D760 PolarHBondContact NH1-OD2 3.2Å; R755-D760 PolarHBondContact O-N 3.13Å
761L68.4Low78.5Confident58 Ų5848.7 Ų48.730%0.30428%0.284SS..SBendtrans-86.2-15179.6-92.372.8000113.5V756 G757 S765 L770 R773V756-L761 WeakPolarHBondContact O-CD1 3.22Å; G757-L761 WeakPolarHBondContact O-CB 3.44Å; L761-S765 PolarHBondContact O-OG 2.87Å; L761-L770 HydrophobicContact CB-CD2 4.03Å; L761-L770 HydrophobicContact CD2-CD2 4.13Å; L761-R773 HydrophobicContact CD1-CG 3.83Å; L761-R773 HydrophobicContact CD2-CB 3.93Å; L761-R773 HydrophobicContact CD2-CG 3.93Å
762G65.9Low78.2Confident27 Ų2749.4 Ų49.428%0.27830%0.298SS..  trans71.2149.1-17600000114.1I758 L764 S765I758-G762 CarbonylContact O-C 3.6Å; I758-G762 WeakPolarHBondContact O-CA 3.14Å; I758-G762 PolarHBondContact O-N 2.94Å; G762-L764 PolarHBondContact O-N 2.96Å; G762-S765 PolarHBondContact O-N 3.2Å; G762-S765 VanDerWaalsContact O-N 3.16Å
763S62Low78Confident108 Ų10850.8 Ų50.876%0.75530%0.304SS*.THydrogen-bonded Turntrans-63.1-5.6178.764.40000115.1
764L59.3Low78Confident171 Ų17150.8 Ų50.890%0.89530%0.304SS*.THydrogen-bonded Turntrans-87.8-9.4179.6-158.464.6000112.7G762G762-L764 PolarHBondContact O-N 2.96Å
765S71.1Confident78Confident38 Ų3853.1 Ų53.127%0.26632%0.315SS..SBendtrans-67.1148.4176.6-73.40000111.9L761 G762L761-S765 PolarHBondContact O-OG 2.87Å; G762-S765 PolarHBondContact O-N 3.2Å; G762-S765 VanDerWaalsContact O-N 3.16Å
766S77.1Confident78Confident48 Ų4852.9 Ų52.934%0.33632%0.321SS..  trans-69.8144.6-179.572.70000110.4P768 T769 L770S766-P768 VanDerWaalsContact C-N 3.3Å; S766-P768 VanDerWaalsContact O-N 3.16Å; S766-T769 PolarHBondContact N-OG1 3.33Å; S766-T769 PolarHBondContact O-N 3.48Å; S766-T769 PolarHBondContact O-OG1 3.38Å; S766-T769 WeakPolarHBondContact OG-CG2 3.14Å; S766-T769 PolarHBondContact OG-OG1 3.35Å; S766-L770 PolarHBondContact O-N 3.31Å; S766-L770 VanDerWaalsContact O-N 3.14Å
767P76.9Confident78.2Confident74 Ų7452.8 Ų52.848%0.48132%0.32SS..Hα-helixtrans-51.9-37.6-179.8-25.932.8000115.5L770 M771P767-L770 PolarHBondContact O-N 2.91Å; P767-M771 WeakPolarHBondContact O-CB 3.4Å; P767-M771 PolarHBondContact O-N 2.84Å
768P80.8Confident78.6Confident45 Ų4552.9 Ų52.929%0.29232%0.321SS..Hα-helixtrans-65-38.4174.9-21.132.9000113.5L284 S766 M771 A772L284-P768 HydrophobicContact CD2-CG 3.75Å; S766-P768 VanDerWaalsContact C-N 3.3Å; S766-P768 VanDerWaalsContact O-N 3.16Å; P768-M771 PolarHBondContact O-N 3.33Å; P768-A772 WeakPolarHBondContact O-CB 3.46Å; P768-A772 PolarHBondContact O-N 2.92Å
769T83.7Confident78.9Confident65 Ų6557.3 Ų57.340%0.39934%0.341SS..Hα-helixtrans-66.9-40.4178.457.80000111.6S766 R773S766-T769 PolarHBondContact N-OG1 3.33Å; S766-T769 PolarHBondContact O-N 3.48Å; S766-T769 PolarHBondContact O-OG1 3.38Å; S766-T769 WeakPolarHBondContact OG-CG2 3.14Å; S766-T769 PolarHBondContact OG-OG1 3.35Å; T769-R773 WeakPolarHBondContact O-CB 3.5Å; T769-R773 PolarHBondContact O-N 3.36Å
770L84.4Confident79.3Confident10 Ų1054.9 Ų54.95%0.05233%0.327CS..Hα-helixtrans-61.9-47.2173.3-65.4-179000111.2G757 I758 L761 S766 P767 A772 R773 E774G757-L770 WeakPolarHBondContact O-CD2 3.36Å; I758-L770 HydrophobicContact CD1-CD1 4.43Å; L761-L770 HydrophobicContact CB-CD2 4.03Å; L761-L770 HydrophobicContact CD2-CD2 4.13Å; S766-L770 PolarHBondContact O-N 3.31Å; S766-L770 VanDerWaalsContact O-N 3.14Å; P767-L770 PolarHBondContact O-N 2.91Å; L770-A772 PolarHBondContact O-N 3.17Å; L770-R773 PolarHBondContact O-N 2.78Å; L770-E774 VanDerWaalsContact O-CB 3.27Å; L770-E774 WeakPolarHBondContact O-CB 3.37Å; L770-E774 WeakPolarHBondContact O-CG 3.4Å; L770-E774 PolarHBondContact O-N 3.05Å
771M85.4Confident80Confident35 Ų3550.6 Ų50.617%0.17231%0.305CS..Hα-helixtrans-61.9-43.5179.9-170.8173.7-172.100112.4P767 P768 K775 M823P767-M771 WeakPolarHBondContact O-CB 3.4Å; P767-M771 PolarHBondContact O-N 2.84Å; P768-M771 PolarHBondContact O-N 3.33Å; M771-K775 WeakPolarHBondContact O-CB 3.44Å; M771-K775 PolarHBondContact O-N 3.46Å; M771-M823 HydrophobicContact CE-CB 3.66Å; M771-M823 HydrophobicContact CE-CG 3.69Å
772A85.5Confident80.9Confident64 Ų6448.7 Ų48.753%0.52930%0.295SS..Hα-helixtrans-64.6-43.6177.800000111.9P768 L770 K775 A776P768-A772 WeakPolarHBondContact O-CB 3.46Å; P768-A772 PolarHBondContact O-N 2.92Å; L770-A772 PolarHBondContact O-N 3.17Å; A772-K775 PolarHBondContact O-N 2.98Å; A772-A776 PolarHBondContact O-N 2.89Å
773R84.7Confident81.7Confident32 Ų3247.5 Ų47.512%0.12128%0.282CS..Hα-helixtrans-66.4-44.1178.7179.669.2-171.892.4-7.4112.3P712 D716 V756 L761 T769 L770 A776 A777P712-R773 PolarHBondContact O-NH2 2.81Å; D716-R773 VanDerWaalsContact CG-NH2 3.31Å; D716-R773 IonicContact OD1-CZ 2.78Å; D716-R773 IonicContact OD1-NH1 2.8Å; D716-R773 IonicContact OD1-NH2 3.22Å; D716-R773 PolarHBondContact OD1-NH2 3.48Å; D716-R773 IonicContact OD2-CZ 3.92Å; D716-R773 VanDerWaalsContact OD2-CZ 3.22Å; D716-R773 IonicContact OD2-NH1 2.65Å; D716-R773 PolarHBondContact OD2-NH1 3.09Å; D716-R773 IonicContact OD2-NH2 3.84Å; D716-R773 PolarHBondContact OD2-NH2 3.03Å; V756-R773 HydrophobicContact CG1-CG 3.78Å; V756-R773 VanDerWaalsContact CG1-NH1 3.32Å; L761-R773 HydrophobicContact CD1-CG 3.83Å; L761-R773 HydrophobicContact CD2-CB 3.93Å; L761-R773 HydrophobicContact CD2-CG 3.93Å; T769-R773 WeakPolarHBondContact O-CB 3.5Å; T769-R773 PolarHBondContact O-N 3.36Å; L770-R773 PolarHBondContact O-N 2.78Å; R773-A776 PolarHBondContact O-N 3.11Å; R773-A777 PolarHBondContact O-N 3.49Å; R773-A777 VanDerWaalsContact O-N 3.1Å
774E88.7Confident82.6Confident0 Ų050 Ų500%028%0.282CS..Hα-helixtrans-65.4-43.1177.1-72.2166.9-175.100110.4I753 L770 A776 A777 W778 R820I753-E774 HydrophobicContact CG2-CB 4.29Å; I753-E774 HydrophobicContact CG2-CG 4.07Å; L770-E774 VanDerWaalsContact O-CB 3.27Å; L770-E774 WeakPolarHBondContact O-CB 3.37Å; L770-E774 WeakPolarHBondContact O-CG 3.4Å; L770-E774 PolarHBondContact O-N 3.05Å; E774-A776 PolarHBondContact O-N 3.39Å; E774-A777 WeakPolarHBondContact O-CB 3.23Å; E774-A777 PolarHBondContact O-N 3.32Å; E774-A777 VanDerWaalsContact O-N 3.12Å; E774-W778 PolarHBondContact O-N 2.97Å; E774-R820 VanDerWaalsContact CD-NE 3.25Å; E774-R820 IonicContact OE1-CZ 2.88Å; E774-R820 VanDerWaalsContact OE1-CZ 3.3Å; E774-R820 IonicContact OE1-NE 2.86Å; E774-R820 PolarHBondContact OE1-NE 3.44Å; E774-R820 IonicContact OE1-NH2 3.77Å; E774-R820 PolarHBondContact OE1-NH2 3.14Å; E774-R820 VanDerWaalsContact OE2-CB 3.22Å; E774-R820 WeakPolarHBondContact OE2-CB 3.49Å; E774-R820 VanDerWaalsContact OE2-CD 3.31Å; E774-R820 WeakPolarHBondContact OE2-CD 3.18Å; E774-R820 IonicContact OE2-CZ 3.01Å; E774-R820 IonicContact OE2-NE 3.99Å; E774-R820 PolarHBondContact OE2-NE 2.87Å; E774-R820 IonicContact OE2-NH2 2.63Å
775K87.7Confident83.8Confident89 Ų8944.6 Ų44.639%0.38726%0.256SS..Hα-helixtrans-57.1-47.7175.5179.9177.6172.51770111.6M771 A772 A777 W778 E779M771-K775 WeakPolarHBondContact O-CB 3.44Å; M771-K775 PolarHBondContact O-N 3.46Å; A772-K775 PolarHBondContact O-N 2.98Å; K775-A777 VanDerWaalsContact C-N 3.27Å; K775-A777 PolarHBondContact O-N 3.37Å; K775-W778 WeakPolarHBondContact O-CB 3.35Å; K775-W778 PolarHBondContact O-N 3.44Å; K775-E779 WeakPolarHBondContact CE-OE1 3.36Å; K775-E779 IonicContact NZ-OE1 2.67Å; K775-E779 WeakPolarHBondContact O-CG 3.28Å; K775-E779 PolarHBondContact O-N 2.91Å
776A87.2Confident84.5Confident33 Ų3342.9 Ų42.927%0.27324%0.244SC..Hα-helixtrans-60.5-37.3176.600000112.3A772 R773 E774 C780A772-A776 PolarHBondContact O-N 2.89Å; R773-A776 PolarHBondContact O-N 3.11Å; E774-A776 PolarHBondContact O-N 3.39Å; A776-C780 PolarHBondContact O-N 3.1Å; A776-C780 PolarHBondContact O-SG 3.17Å
777A86.5Confident84.9Confident0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-69.2-42.4176.200000112.3Y752 I753 V756 R773 E774 K775 C780 I781Y752-A777 HydrophobicContact CE1-CB 4.18Å; I753-A777 HydrophobicContact CD1-CB 3.52Å; V756-A777 HydrophobicContact CG1-CB 4.03Å; R773-A777 PolarHBondContact O-N 3.49Å; R773-A777 VanDerWaalsContact O-N 3.1Å; E774-A777 WeakPolarHBondContact O-CB 3.23Å; E774-A777 PolarHBondContact O-N 3.32Å; E774-A777 VanDerWaalsContact O-N 3.12Å; K775-A777 VanDerWaalsContact C-N 3.27Å; K775-A777 PolarHBondContact O-N 3.37Å; A777-C780 PolarHBondContact O-N 3.32Å; A777-I781 WeakPolarHBondContact O-CB 3.41Å; A777-I781 WeakPolarHBondContact O-CG2 3.32Å; A777-I781 PolarHBondContact O-N 3.27Å
778W88.2Confident85.4Confident1 Ų145.5 Ų45.50%0.00425%0.245CC..Hα-helixtrans-56.8-48.9174.8-86.4104.5000111.6I749 Y750 I753 E774 K775 C780 I781 V782 N824 L825 L830I749-W778 HydrophobicContact CG2-CE3 4.35Å; I749-W778 HydrophobicContact CG2-CH2 3.84Å; I749-W778 HydrophobicContact CG2-CZ3 3.74Å; Y750-W778 AromaticContact CD1-CH2 3.73Å; Y750-W778 HydrophobicContact CD1-CH2 3.73Å; Y750-W778 AromaticContact CD1-CZ2 3.9Å; Y750-W778 HydrophobicContact CD1-CZ2 3.9Å; Y750-W778 AromaticContact CE1-CH2 3.49Å; Y750-W778 HydrophobicContact CE1-CH2 3.49Å; Y750-W778 VanDerWaalsContact CE1-CH2 3.49Å; Y750-W778 AromaticContact CE1-CZ2 3.92Å; Y750-W778 HydrophobicContact CE1-CZ2 3.92Å; I753-W778 HydrophobicContact CD1-CB 4.47Å; I753-W778 HydrophobicContact CD1-CD2 4.1Å; I753-W778 HydrophobicContact CD1-CG 3.85Å; I753-W778 HydrophobicContact CG1-CD2 4.14Å; I753-W778 HydrophobicContact CG1-CG 4.37Å; I753-W778 HydrophobicContact CG1-CZ2 3.98Å; E774-W778 PolarHBondContact O-N 2.97Å; K775-W778 WeakPolarHBondContact O-CB 3.35Å; K775-W778 PolarHBondContact O-N 3.44Å; W778-C780 PolarHBondContact O-N 3.05Å; W778-I781 PolarHBondContact O-N 3.28Å; W778-V782 HydrophobicContact CE3-CG2 3.39Å; W778-V782 HydrophobicContact CZ3-CG2 3.73Å; W778-V782 WeakPolarHBondContact O-CB 3.35Å; W778-V782 WeakPolarHBondContact O-CG2 3.43Å; W778-V782 PolarHBondContact O-N 3.44Å; W778-N824 HydrophobicContact CB-CB 4.48Å; W778-N824 HydrophobicContact CD2-CB 4.14Å; W778-N824 HydrophobicContact CG-CB 3.77Å; W778-L825 HydrophobicContact CH2-CD2 3.9Å; W778-L825 HydrophobicContact CH2-CG 4.49Å; W778-L825 HydrophobicContact CZ3-CD2 4.03Å; W778-L830 HydrophobicContact CE3-CD1 4.17Å; W778-L830 HydrophobicContact CZ3-CD1 3.98Å
779E85.8Confident85.6Confident125 Ų12544.1 Ų44.158%0.58424%0.235SC*.Hα-helixtrans-62.6-27.7179-71.5173.9-17900113K775K775-E779 WeakPolarHBondContact CE-OE1 3.36Å; K775-E779 IonicContact NZ-OE1 2.67Å; K775-E779 WeakPolarHBondContact O-CG 3.28Å; K775-E779 PolarHBondContact O-N 2.91Å
780C84.9Confident85.8Confident39 Ų3941 Ų4126%0.26422%0.217SC..Hα-helixtrans-86.6-46.3178.2-66.30000112.9D716 A720 A776 A777 W778D716-C780 HydrophobicContact CB-CB 4.17Å; A720-C780 HydrophobicContact CB-CB 4.45Å; A720-C780 WeakPolarHBondContact CB-O 3.47Å; A776-C780 PolarHBondContact O-N 3.1Å; A776-C780 PolarHBondContact O-SG 3.17Å; A777-C780 PolarHBondContact O-N 3.32Å; W778-C780 PolarHBondContact O-N 3.05Å
781I86.2Confident85.9Confident1 Ų146.6 Ų46.61%0.00524%0.237CC..Hα-helixtrans-82.8-26.8-166.5-163.257.1000113.5T719 A720 F723 I749 Y752 I753 A777 W778 P783T719-I781 HydrophobicContact CG2-CD1 4.36Å; A720-I781 HydrophobicContact CB-CD1 4.3Å; F723-I781 HydrophobicContact CB-CD1 4.22Å; F723-I781 HydrophobicContact CG-CD1 4.27Å; I749-I781 HydrophobicContact CG2-CG2 3.84Å; Y752-I781 HydrophobicContact CD1-CB 4.2Å; Y752-I781 HydrophobicContact CD1-CD1 4.48Å; Y752-I781 HydrophobicContact CD1-CG1 4.01Å; Y752-I781 HydrophobicContact CD1-CG2 4.41Å; Y752-I781 HydrophobicContact CE1-CB 4.48Å; Y752-I781 HydrophobicContact CG-CG1 4.28Å; I753-I781 HydrophobicContact CD1-CG2 4.22Å; A777-I781 WeakPolarHBondContact O-CB 3.41Å; A777-I781 WeakPolarHBondContact O-CG2 3.32Å; A777-I781 PolarHBondContact O-N 3.27Å; W778-I781 PolarHBondContact O-N 3.28Å; I781-P783 WeakPolarHBondContact O-CD 3.44Å
782V86.4Confident86Confident17 Ų1748.8 Ų48.810%0.10326%0.255CS..SBendtrans-70.6118-174.8175.60000110.3W778 I787 L830W778-V782 HydrophobicContact CE3-CG2 3.39Å; W778-V782 HydrophobicContact CZ3-CG2 3.73Å; W778-V782 WeakPolarHBondContact O-CB 3.35Å; W778-V782 WeakPolarHBondContact O-CG2 3.43Å; W778-V782 PolarHBondContact O-N 3.44Å; V782-I787 HydrophobicContact CG1-CD1 4.17Å; V782-I787 HydrophobicContact CG1-CG1 3.82Å; V782-L830 HydrophobicContact CG1-CD1 4.24Å; V782-L830 HydrophobicContact CG1-CD2 3.9Å; V782-L830 HydrophobicContact CG2-CD1 4.15Å
783P83.2Confident86.1Confident2 Ų247.2 Ų47.21%0.01324%0.241CC..  trans-71.4144177.7-16.630.8000112F723 N724 L727 I781 V785 L786 I787F723-P783 HydrophobicContact CD1-CG 3.77Å; F723-P783 HydrophobicContact CE1-CG 3.45Å; F723-P783 VanDerWaalsContact CE1-CG 3.45Å; N724-P783 WeakPolarHBondContact OD1-CA 3.38Å; N724-P783 WeakPolarHBondContact OD1-CB 3.19Å; L727-P783 HydrophobicContact CD1-CB 3.8Å; L727-P783 HydrophobicContact CD1-CG 3.34Å; I781-P783 WeakPolarHBondContact O-CD 3.44Å; P783-V785 PolarHBondContact O-N 3.02Å; P783-L786 HydrophobicContact CB-CB 4.36Å; P783-L786 HydrophobicContact CG-CB 4.41Å; P783-L786 WeakPolarHBondContact O-CB 3.25Å; P783-L786 PolarHBondContact O-N 3.5Å; P783-I787 PolarHBondContact O-N 3.04Å
784H81.6Confident86.3Confident160 Ų16048.8 Ų48.874%0.74125%0.254SS*.Hα-helixtrans-56.9-36.9172.6-70.9-63.5000113.3L786 I787 E788H784-L786 VanDerWaalsContact C-N 3.28Å; H784-L786 PolarHBondContact O-N 2.91Å; H784-I787 WeakPolarHBondContact O-CB 3.29Å; H784-I787 PolarHBondContact O-N 3.21Å; H784-E788 PolarHBondContact O-N 3.16Å
785V83.6Confident86.3Confident59 Ų5954.5 Ų54.536%0.35828%0.284SS..Hα-helixtrans-60-39.7177.51800000111.1I732 Y741 P783 I787 E788 V789I732-V785 HydrophobicContact CD1-CG1 3.86Å; I732-V785 HydrophobicContact CG1-CG1 4.48Å; Y741-V785 HydrophobicContact CE1-CG1 4.38Å; P783-V785 PolarHBondContact O-N 3.02Å; V785-I787 VanDerWaalsContact C-N 3.34Å; V785-I787 PolarHBondContact O-N 2.68Å; V785-E788 PolarHBondContact O-N 3.41Å; V785-V789 HydrophobicContact CG1-CG2 4.48Å; V785-V789 WeakPolarHBondContact O-CG2 3.11Å; V785-V789 PolarHBondContact O-N 3.28Å; V785-V789 VanDerWaalsContact O-N 3.15Å
786L85.7Confident86.3Confident1 Ų153 Ų531%0.00528%0.277CS..Hα-helixtrans-67.8-36.2-180-177.261.9000111.9I742 L746 I749 P783 H784 V789 L790I742-L786 HydrophobicContact CG1-CD1 4.22Å; L746-L786 HydrophobicContact CD2-CD2 3.77Å; L746-L786 HydrophobicContact CG-CD2 4.37Å; I749-L786 HydrophobicContact CD1-CD2 3.43Å; I749-L786 VanDerWaalsContact CD1-CD2 3.43Å; P783-L786 HydrophobicContact CB-CB 4.36Å; P783-L786 HydrophobicContact CG-CB 4.41Å; P783-L786 WeakPolarHBondContact O-CB 3.25Å; P783-L786 PolarHBondContact O-N 3.5Å; H784-L786 VanDerWaalsContact C-N 3.28Å; H784-L786 PolarHBondContact O-N 2.91Å; L786-V789 PolarHBondContact O-N 3.19Å; L786-L790 HydrophobicContact CD1-CD1 4.29Å; L786-L790 HydrophobicContact CD1-CG 4.32Å; L786-L790 HydrophobicContact CG-CD1 4.07Å; L786-L790 WeakPolarHBondContact O-CG 3.37Å; L786-L790 PolarHBondContact O-N 2.94Å
787I86.6Confident86.6Confident30 Ų3051.8 Ų51.815%0.15427%0.265CS..Hα-helixtrans-61.4-47.4176.5-54.3179.8000110.2V782 P783 H784 V785 V789 L790 R791 L830V782-I787 HydrophobicContact CG1-CD1 4.17Å; V782-I787 HydrophobicContact CG1-CG1 3.82Å; P783-I787 PolarHBondContact O-N 3.04Å; H784-I787 WeakPolarHBondContact O-CB 3.29Å; H784-I787 PolarHBondContact O-N 3.21Å; V785-I787 VanDerWaalsContact C-N 3.34Å; V785-I787 PolarHBondContact O-N 2.68Å; I787-V789 VanDerWaalsContact C-N 3.33Å; I787-V789 PolarHBondContact O-N 2.94Å; I787-L790 PolarHBondContact O-N 3.44Å; I787-R791 HydrophobicContact CG2-CG 4.46Å; I787-R791 VanDerWaalsContact CG2-CZ 3.49Å; I787-R791 WeakPolarHBondContact O-CB 3.43Å; I787-R791 VanDerWaalsContact O-CG 3.3Å; I787-R791 WeakPolarHBondContact O-CG 3.43Å; I787-R791 PolarHBondContact O-N 3.35Å; I787-L830 HydrophobicContact CB-CD2 4.34Å; I787-L830 HydrophobicContact CD1-CD2 4.32Å; I787-L830 HydrophobicContact CG1-CD2 3.64Å; I787-L830 HydrophobicContact CG2-CD2 4.36Å
788E86Confident86.8Confident148 Ų14852.7 Ų52.769%0.69227%0.27SS*.Hα-helixtrans-60.8-42.6178.8-175.2175.2-17600111.8H784 V785 R791 S792H784-E788 PolarHBondContact O-N 3.16Å; V785-E788 PolarHBondContact O-N 3.41Å; E788-R791 PolarHBondContact O-N 2.86Å; E788-S792 PolarHBondContact O-N 3.06Å
789V86.6Confident86.9Confident15 Ų1554.3 Ų54.39%0.09128%0.278CS..Hα-helixtrans-66.5-43.4-179.8179.20000111.7I732 A738 I742 V785 L786 I787 S792 R796I732-V789 HydrophobicContact CD1-CB 4.49Å; I732-V789 HydrophobicContact CD1-CG2 3.18Å; A738-V789 HydrophobicContact CB-CG1 3.95Å; I742-V789 HydrophobicContact CD1-CG1 3.9Å; I742-V789 HydrophobicContact CG1-CG1 4.03Å; V785-V789 HydrophobicContact CG1-CG2 4.48Å; V785-V789 WeakPolarHBondContact O-CG2 3.11Å; V785-V789 PolarHBondContact O-N 3.28Å; V785-V789 VanDerWaalsContact O-N 3.15Å; L786-V789 PolarHBondContact O-N 3.19Å; I787-V789 VanDerWaalsContact C-N 3.33Å; I787-V789 PolarHBondContact O-N 2.94Å; V789-S792 WeakPolarHBondContact O-CB 3.23Å; V789-S792 PolarHBondContact O-N 3.08Å; V789-S792 PolarHBondContact O-OG 3.19Å; V789-R796 WeakPolarHBondContact O-CD 3.46Å
790L87.3Confident87.1Confident0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-67.9-36.9178.1-70.9172.3000112.2I742 L786 I787 S792 R796 Q797 A800 L830I742-L790 HydrophobicContact CD1-CD2 3.73Å; I742-L790 HydrophobicContact CG1-CD2 4.2Å; I742-L790 HydrophobicContact CG2-CD2 4.4Å; L786-L790 HydrophobicContact CD1-CD1 4.29Å; L786-L790 HydrophobicContact CD1-CG 4.32Å; L786-L790 HydrophobicContact CG-CD1 4.07Å; L786-L790 WeakPolarHBondContact O-CG 3.37Å; L786-L790 PolarHBondContact O-N 2.94Å; I787-L790 PolarHBondContact O-N 3.44Å; L790-S792 PolarHBondContact O-N 2.95Å; L790-R796 HydrophobicContact CD2-CB 4.46Å; L790-Q797 HydrophobicContact CB-CG 4.45Å; L790-Q797 VanDerWaalsContact O-CG 3.24Å; L790-Q797 WeakPolarHBondContact O-CG 3.47Å; L790-Q797 PolarHBondContact O-NE2 3.32Å; L790-A800 HydrophobicContact CD2-CB 3.95Å; L790-L830 HydrophobicContact CD1-CB 4.23Å
791R86.8Confident87.5Confident128 Ų12846.5 Ų46.548%0.48324%0.238SC..Hα-helixtrans-68.3-21.1176.9-73.8178.6179.4175.7-6.8113.5I787 E788 S793 E829I787-R791 HydrophobicContact CG2-CG 4.46Å; I787-R791 VanDerWaalsContact CG2-CZ 3.49Å; I787-R791 WeakPolarHBondContact O-CB 3.43Å; I787-R791 VanDerWaalsContact O-CG 3.3Å; I787-R791 WeakPolarHBondContact O-CG 3.43Å; I787-R791 PolarHBondContact O-N 3.35Å; E788-R791 PolarHBondContact O-N 2.86Å; R791-S793 VanDerWaalsContact C-N 3.29Å; R791-S793 PolarHBondContact O-N 2.8Å; R791-E829 PolarHBondContact NE-O 3.03Å; R791-E829 VanDerWaalsContact NH2-CB 3.26Å; R791-E829 PolarHBondContact NH2-O 3.45Å; R791-E829 IonicContact NH2-OE2 3.52Å; R791-E829 PolarHBondContact NH2-OE2 3.45Å
792S86.1Confident87.8Confident80 Ų8046.7 Ų46.756%0.55924%0.239SC*.THydrogen-bonded Turntrans-66.4-25.3-178.773.90000114.6E788 V789 L790E788-S792 PolarHBondContact O-N 3.06Å; V789-S792 WeakPolarHBondContact O-CB 3.23Å; V789-S792 PolarHBondContact O-N 3.08Å; V789-S792 PolarHBondContact O-OG 3.19Å; L790-S792 PolarHBondContact O-N 2.95Å
793S87.5Confident88Confident31 Ų3146.7 Ų46.722%0.21724%0.239CC..  trans-161.5138.4-175.760.10000113.1R791 D795 R796 Q797R791-S793 VanDerWaalsContact C-N 3.29Å; R791-S793 PolarHBondContact O-N 2.8Å; S793-D795 VanDerWaalsContact C-N 3.32Å; S793-D795 PolarHBondContact O-N 3.22Å; S793-R796 PolarHBondContact O-N 3Å; S793-R796 VanDerWaalsContact OG-CB 3.28Å; S793-R796 WeakPolarHBondContact OG-CB 3.2Å; S793-R796 WeakPolarHBondContact OG-CD 3.43Å; S793-R796 WeakPolarHBondContact OG-CG 3.49Å; S793-R796 PolarHBondContact OG-NE 2.81Å; S793-Q797 PolarHBondContact O-N 2.97Å
794T89.2Confident88.5Confident65 Ų6546.6 Ų46.640%0.39924%0.238SC..Hα-helixtrans-61.1-37174.8-45.80000112.5R796 Q797 L798 A835T794-R796 VanDerWaalsContact C-N 3.27Å; T794-R796 PolarHBondContact O-N 3.28Å; T794-Q797 WeakPolarHBondContact O-CA 3.33Å; T794-Q797 WeakPolarHBondContact O-CB 3.5Å; T794-Q797 PolarHBondContact O-N 3.39Å; T794-L798 PolarHBondContact O-N 2.87Å; T794-A835 HydrophobicContact CG2-CB 3.92Å
795D89.1Confident89Confident120 Ų12039 Ų3964%0.64220%0.203SC*.Hα-helixtrans-58.9-38.3178.3-62.1-30.6000112.3S793 Q797 L798 D799S793-D795 VanDerWaalsContact C-N 3.32Å; S793-D795 PolarHBondContact O-N 3.22Å; D795-Q797 VanDerWaalsContact C-N 3.33Å; D795-Q797 PolarHBondContact O-N 3.31Å; D795-L798 WeakPolarHBondContact O-CB 3.2Å; D795-L798 PolarHBondContact O-N 3.13Å; D795-D799 PolarHBondContact O-N 3.13Å
796R88Confident89.3Confident59 Ų5940.5 Ų40.522%0.22320%0.204CC..Hα-helixtrans-68.9-32.4175.5-75.9-178.4-148.8-52.7-4.9113I742 V789 L790 S793 T794 L798 D799 A800I742-R796 HydrophobicContact CD1-CB 3.49Å; I742-R796 VanDerWaalsContact CD1-CB 3.49Å; I742-R796 HydrophobicContact CD1-CG 3.6Å; V789-R796 WeakPolarHBondContact O-CD 3.46Å; L790-R796 HydrophobicContact CD2-CB 4.46Å; S793-R796 PolarHBondContact O-N 3Å; S793-R796 VanDerWaalsContact OG-CB 3.28Å; S793-R796 WeakPolarHBondContact OG-CB 3.2Å; S793-R796 WeakPolarHBondContact OG-CD 3.43Å; S793-R796 WeakPolarHBondContact OG-CG 3.49Å; S793-R796 PolarHBondContact OG-NE 2.81Å; T794-R796 VanDerWaalsContact C-N 3.27Å; T794-R796 PolarHBondContact O-N 3.28Å; R796-L798 VanDerWaalsContact C-N 3.31Å; R796-D799 WeakPolarHBondContact O-CB 3.22Å; R796-D799 PolarHBondContact O-N 2.91Å; R796-A800 PolarHBondContact O-N 3.13Å; R796-A800 VanDerWaalsContact O-N 3.07Å
797Q92.6Very high89.6Confident6 Ų641.2 Ų41.23%0.02821%0.207CC..Hα-helixtrans-69.4-34.7174-60.217821.500110.5L790 S793 T794 D795 A800 L801 I831 A835L790-Q797 HydrophobicContact CB-CG 4.45Å; L790-Q797 VanDerWaalsContact O-CG 3.24Å; L790-Q797 WeakPolarHBondContact O-CG 3.47Å; L790-Q797 PolarHBondContact O-NE2 3.32Å; S793-Q797 PolarHBondContact O-N 2.97Å; T794-Q797 WeakPolarHBondContact O-CA 3.33Å; T794-Q797 WeakPolarHBondContact O-CB 3.5Å; T794-Q797 PolarHBondContact O-N 3.39Å; D795-Q797 VanDerWaalsContact C-N 3.33Å; D795-Q797 PolarHBondContact O-N 3.31Å; Q797-A800 WeakPolarHBondContact O-CB 3.44Å; Q797-A800 PolarHBondContact O-N 2.84Å; Q797-L801 WeakPolarHBondContact O-CG 3.23Å; Q797-L801 PolarHBondContact O-N 3.39Å; Q797-I831 HydrophobicContact CB-CG1 4.34Å; Q797-I831 HydrophobicContact CB-CG2 4.22Å; Q797-A835 HydrophobicContact CB-CB 3.71Å
798L91.1Very high89.9Confident20 Ų2040 Ų4011%0.10520%0.201CC..Hα-helixtrans-64.9-43.9170.1-67.5174.8000111.8T794 D795 R796 A800 L801 H802 A835 W839T794-L798 PolarHBondContact O-N 2.87Å; D795-L798 WeakPolarHBondContact O-CB 3.2Å; D795-L798 PolarHBondContact O-N 3.13Å; R796-L798 VanDerWaalsContact C-N 3.31Å; L798-A800 PolarHBondContact O-N 3.07Å; L798-L801 HydrophobicContact CD2-CD1 4.47Å; L798-L801 PolarHBondContact O-N 3.1Å; L798-L801 VanDerWaalsContact O-N 3.1Å; L798-H802 WeakPolarHBondContact O-CB 3.28Å; L798-H802 PolarHBondContact O-N 3.11Å; L798-H802 PolarHBondContact O-ND1 3.32Å; L798-H802 VanDerWaalsContact O-ND1 3.14Å; L798-A835 WeakPolarHBondContact CD2-O 3.48Å; L798-W839 HydrophobicContact CD2-CB 3.72Å
799D89.8Confident90.1Very high34 Ų3434.9 Ų34.918%0.18218%0.18CC..Hα-helixtrans-54.2-41.4173.5-69.8-20.1000111.2S739 D795 R796 L801 H802 D803S739-D799 PolarHBondContact OG-OD2 3.38Å; D795-D799 PolarHBondContact O-N 3.13Å; R796-D799 WeakPolarHBondContact O-CB 3.22Å; R796-D799 PolarHBondContact O-N 2.91Å; D799-L801 PolarHBondContact O-N 3.1Å; D799-H802 WeakPolarHBondContact O-CB 3.36Å; D799-H802 PolarHBondContact O-N 3.06Å; D799-D803 PolarHBondContact O-N 3.02Å
800A92Very high90.3Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-62.5-40176.800000113.7L746 Y750 L790 R796 Q797 L798 L804 I831L746-A800 VanDerWaalsContact CD1-CA 3.44Å; L746-A800 HydrophobicContact CD1-CB 3.23Å; Y750-A800 PolarHBondContact OH-O 3.34Å; L790-A800 HydrophobicContact CD2-CB 3.95Å; R796-A800 PolarHBondContact O-N 3.13Å; R796-A800 VanDerWaalsContact O-N 3.07Å; Q797-A800 WeakPolarHBondContact O-CB 3.44Å; Q797-A800 PolarHBondContact O-N 2.84Å; L798-A800 PolarHBondContact O-N 3.07Å; A800-L804 PolarHBondContact O-N 3.22Å; A800-L804 VanDerWaalsContact O-N 3.07Å; A800-I831 HydrophobicContact CB-CD1 4.08Å
801L92.9Very high90.3Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-69.8-39.4176.4-65.5175.8000111.5Q797 L798 D799 L804 Q805 F822 L825 I831 F836 W839Q797-L801 WeakPolarHBondContact O-CG 3.23Å; Q797-L801 PolarHBondContact O-N 3.39Å; L798-L801 HydrophobicContact CD2-CD1 4.47Å; L798-L801 PolarHBondContact O-N 3.1Å; L798-L801 VanDerWaalsContact O-N 3.1Å; D799-L801 PolarHBondContact O-N 3.1Å; L801-L804 PolarHBondContact O-N 2.98Å; L801-Q805 PolarHBondContact O-N 2.88Å; L801-F822 HydrophobicContact CD2-CE1 4.32Å; L801-F822 HydrophobicContact CD2-CE2 4.14Å; L801-F822 HydrophobicContact CD2-CZ 3.95Å; L801-L825 HydrophobicContact CD2-CD1 4.26Å; L801-I831 HydrophobicContact CD1-CG2 4.33Å; L801-I831 HydrophobicContact CD2-CD1 3.47Å; L801-I831 VanDerWaalsContact CD2-CD1 3.47Å; L801-I831 HydrophobicContact CG-CD1 3.78Å; L801-F836 HydrophobicContact CD1-CD1 4.01Å; L801-F836 HydrophobicContact CD1-CE1 4.45Å; L801-F836 HydrophobicContact CD2-CD1 3.91Å; L801-F836 HydrophobicContact CD2-CE1 3.57Å; L801-F836 HydrophobicContact CD2-CZ 4.43Å; L801-W839 HydrophobicContact CB-CG 4.07Å; L801-W839 HydrophobicContact CD1-CB 3.5Å; L801-W839 HydrophobicContact CD1-CD2 4.5Å; L801-W839 HydrophobicContact CD1-CG 3.8Å
802H92.2Very high90.5Very high6 Ų642.6 Ų42.63%0.02823%0.228CC..Hα-helixtrans-63-43.8174.7-76.7137.9000112.5L798 D799 L804 Q805 F806 W839 E842 Y847L798-H802 WeakPolarHBondContact O-CB 3.28Å; L798-H802 PolarHBondContact O-N 3.11Å; L798-H802 PolarHBondContact O-ND1 3.32Å; L798-H802 VanDerWaalsContact O-ND1 3.14Å; D799-H802 WeakPolarHBondContact O-CB 3.36Å; D799-H802 PolarHBondContact O-N 3.06Å; H802-L804 VanDerWaalsContact C-N 3.32Å; H802-L804 PolarHBondContact O-N 3.34Å; H802-Q805 PolarHBondContact O-N 3.36Å; H802-F806 WeakPolarHBondContact O-CD2 3.47Å; H802-F806 PolarHBondContact O-N 3.35Å; H802-W839 AromaticContact NE2-CD1 3.98Å; H802-E842 IonicContact CD2-OE1 2.71Å; H802-E842 VanDerWaalsContact CE1-CD 3.41Å; H802-E842 IonicContact CE1-OE1 3.9Å; H802-E842 PolarHBondContact CE1-OE1 2.89Å; H802-E842 IonicContact CE1-OE2 2.67Å; H802-E842 PolarHBondContact CE1-OE2 3.32Å; H802-E842 VanDerWaalsContact CE1-OE2 3.29Å; H802-E842 IonicContact NE2-OE1 2.9Å; H802-E842 PolarHBondContact NE2-OE1 2.81Å; H802-E842 IonicContact NE2-OE2 2.94Å; H802-Y847 HydrophobicContact CB-CD1 4.03Å; H802-Y847 HydrophobicContact CB-CE1 3.44Å; H802-Y847 VanDerWaalsContact CB-CE1 3.44Å; H802-Y847 HydrophobicContact CB-CE2 4.38Å; H802-Y847 AromaticContact CD2-CD1 3.75Å; H802-Y847 AromaticContact CD2-CD2 3.36Å; H802-Y847 WeakPolarHBondContact CD2-CD2 3.42Å; H802-Y847 AromaticContact CD2-CE1 3.68Å; H802-Y847 AromaticContact CD2-CE2 3.25Å; H802-Y847 WeakPolarHBondContact CD2-CE2 3.22Å; H802-Y847 AromaticContact CD2-CG 3.61Å; H802-Y847 AromaticContact CD2-CZ 3.45Å; H802-Y847 VanDerWaalsContact CD2-CZ 3.45Å; H802-Y847 AromaticContact CE1-CE2 3.58Å; H802-Y847 AromaticContact CE1-CZ 3.95Å; H802-Y847 AromaticContact CG-CE1 3.56Å; H802-Y847 AromaticContact CG-CE2 3.58Å; H802-Y847 AromaticContact CG-CZ 3.3Å; H802-Y847 AromaticContact ND1-CE2 3.76Å; H802-Y847 AromaticContact ND1-CZ 3.62Å; H802-Y847 PolarHBondContact ND1-OH 3.5Å; H802-Y847 AromaticContact NE2-CD2 3.43Å; H802-Y847 WeakPolarHBondContact NE2-CD2 3.49Å; H802-Y847 AromaticContact NE2-CE2 3.21Å; H802-Y847 WeakPolarHBondContact NE2-CE2 3.44Å; H802-Y847 AromaticContact NE2-CZ 3.82Å
803D91.3Very high90.6Very high17 Ų1742 Ų429%0.09122%0.217CC..Hα-helixtrans-60.9-42.7173.6-79.7-12.5000111.8H743 Y750 D799 Q805 F806 F807H743-D803 WeakPolarHBondContact CA-OD2 3.3Å; H743-D803 IonicContact CE1-OD1 3.53Å; H743-D803 PolarHBondContact CE1-OD1 3.42Å; H743-D803 VanDerWaalsContact CE1-OD1 3.29Å; H743-D803 IonicContact CE1-OD2 2.69Å; H743-D803 IonicContact CG-OD1 3.59Å; H743-D803 IonicContact CG-OD2 3.92Å; H743-D803 IonicContact ND1-OD1 2.68Å; H743-D803 PolarHBondContact ND1-OD1 2.99Å; H743-D803 IonicContact ND1-OD2 3.64Å; H743-D803 PolarHBondContact ND1-OD2 2.59Å; Y750-D803 HydrophobicContact CE2-CB 4.03Å; D799-D803 PolarHBondContact O-N 3.02Å; D803-Q805 VanDerWaalsContact C-N 3.33Å; D803-Q805 PolarHBondContact O-N 3.05Å; D803-F806 PolarHBondContact O-N 3.38Å; D803-F807 VanDerWaalsContact O-CB 3.28Å; D803-F807 WeakPolarHBondContact O-CB 3.33Å; D803-F807 PolarHBondContact O-N 3.44Å
804L93.5Very high90.5Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-63.5-41176.6179.556.5000111.5Y750 A800 L801 H802 F807 W808 L818 C821 F822 L825Y750-L804 HydrophobicContact CD1-CD1 3.86Å; Y750-L804 HydrophobicContact CD2-CB 4.42Å; Y750-L804 HydrophobicContact CD2-CD1 4.26Å; Y750-L804 HydrophobicContact CE1-CB 4.21Å; Y750-L804 HydrophobicContact CE1-CD1 3.85Å; Y750-L804 HydrophobicContact CE1-CD2 4.45Å; Y750-L804 HydrophobicContact CE1-CG 4.38Å; Y750-L804 HydrophobicContact CE2-CB 3.75Å; Y750-L804 HydrophobicContact CE2-CD1 4.3Å; Y750-L804 HydrophobicContact CG-CD1 4.08Å; A800-L804 PolarHBondContact O-N 3.22Å; A800-L804 VanDerWaalsContact O-N 3.07Å; L801-L804 PolarHBondContact O-N 2.98Å; H802-L804 VanDerWaalsContact C-N 3.32Å; H802-L804 PolarHBondContact O-N 3.34Å; L804-F807 PolarHBondContact O-N 3.43Å; L804-W808 VanDerWaalsContact O-CB 3.26Å; L804-W808 WeakPolarHBondContact O-CB 3.36Å; L804-W808 PolarHBondContact O-N 3.07Å; L804-L818 HydrophobicContact CD1-CD1 4.41Å; L804-L818 HydrophobicContact CD2-CD1 3.92Å; L804-L818 HydrophobicContact CG-CD1 3.71Å; L804-C821 HydrophobicContact CD1-CB 3.95Å; L804-C821 HydrophobicContact CD2-CB 3.56Å; L804-C821 HydrophobicContact CG-CB 4.39Å; L804-F822 HydrophobicContact CD2-CD2 3.68Å; L804-F822 HydrophobicContact CD2-CE2 3.66Å; L804-F822 HydrophobicContact CG-CE2 4.48Å; L804-L825 HydrophobicContact CD2-CD1 3.63Å
805Q91.4Very high90.2Very high1 Ų148 Ų481%0.00524%0.236CC..Hα-helixtrans-62.1-46.7176-178.3-178.4-28.900110.9L801 H802 D803 W808 V809 Y847 P848L801-Q805 PolarHBondContact O-N 2.88Å; H802-Q805 PolarHBondContact O-N 3.36Å; D803-Q805 VanDerWaalsContact C-N 3.33Å; D803-Q805 PolarHBondContact O-N 3.05Å; Q805-W808 PolarHBondContact O-N 2.95Å; Q805-V809 VanDerWaalsContact O-CG2 3.32Å; Q805-V809 WeakPolarHBondContact O-CG2 3.34Å; Q805-V809 PolarHBondContact O-N 3.18Å; Q805-Y847 PolarHBondContact NE2-O 2.91Å; Q805-P848 PolarHBondContact NE2-O 3.37Å
806F89.5Confident90.1Very high89 Ų8943.4 Ų43.439%0.3922%0.217SC..Hα-helixtrans-60.3-46.9176.1-86.6-54.9000112H802 D803 W808 V809 D810 Y847 P848H802-F806 WeakPolarHBondContact O-CD2 3.47Å; H802-F806 PolarHBondContact O-N 3.35Å; D803-F806 PolarHBondContact O-N 3.38Å; F806-W808 VanDerWaalsContact C-N 3.35Å; F806-W808 PolarHBondContact O-N 2.94Å; F806-V809 PolarHBondContact O-N 3.18Å; F806-D810 PolarHBondContact O-N 2.92Å; F806-Y847 AromaticContact CD2-CD1 3.64Å; F806-Y847 HydrophobicContact CD2-CD1 3.64Å; F806-Y847 AromaticContact CD2-CE1 3.73Å; F806-Y847 HydrophobicContact CD2-CE1 3.73Å; F806-Y847 HydrophobicContact CE1-CD1 4.19Å; F806-Y847 AromaticContact CE2-CD1 3.11Å; F806-Y847 HydrophobicContact CE2-CD1 3.11Å; F806-Y847 AromaticContact CE2-CE1 3.09Å; F806-Y847 HydrophobicContact CE2-CE1 3.09Å; F806-Y847 HydrophobicContact CE2-CG 4.38Å; F806-Y847 HydrophobicContact CG-CD1 4.41Å; F806-Y847 AromaticContact CZ-CD1 3.38Å; F806-Y847 HydrophobicContact CZ-CD1 3.38Å; F806-Y847 AromaticContact CZ-CE1 3.74Å; F806-Y847 HydrophobicContact CZ-CE1 3.74Å; F806-Y847 HydrophobicContact CZ-CG 4.36Å; F806-P848 HydrophobicContact CE1-CG 4.31Å
807F92.4Very high90.2Very high16 Ų1640.6 Ų40.67%0.0721%0.207CC..Hα-helixtrans-59-45.5177.1179.2-89.8000112Y750 E751 Y754 D803 L804 V809 D810 K811 F817Y750-F807 VanDerWaalsContact C-CZ 3.43Å; Y750-F807 HydrophobicContact CD2-CB 4.25Å; Y750-F807 HydrophobicContact CD2-CG 4.39Å; Y750-F807 HydrophobicContact CG-CG 4.46Å; Y750-F807 WeakPolarHBondContact O-CZ 3.34Å; E751-F807 HydrophobicContact CB-CE2 4.06Å; E751-F807 HydrophobicContact CB-CZ 4.42Å; E751-F807 WeakPolarHBondContact OE2-CE2 3.39Å; Y754-F807 HydrophobicContact CD2-CE1 4.41Å; Y754-F807 HydrophobicContact CG-CE1 4.24Å; Y754-F807 HydrophobicContact CG-CZ 4.14Å; D803-F807 VanDerWaalsContact O-CB 3.28Å; D803-F807 WeakPolarHBondContact O-CB 3.33Å; D803-F807 PolarHBondContact O-N 3.44Å; L804-F807 PolarHBondContact O-N 3.43Å; F807-V809 VanDerWaalsContact C-N 3.33Å; F807-V809 PolarHBondContact O-N 3.22Å; F807-D810 PolarHBondContact O-N 3.44Å; F807-K811 HydrophobicContact CD1-CG 4.25Å; F807-K811 HydrophobicContact CE1-CG 3.72Å; F807-K811 HydrophobicContact CE2-CG 4.32Å; F807-K811 HydrophobicContact CZ-CD 4.25Å; F807-K811 HydrophobicContact CZ-CG 3.75Å; F807-K811 WeakPolarHBondContact O-CG 3.44Å; F807-K811 PolarHBondContact O-N 3.2Å; F807-F817 HydrophobicContact CD1-CE1 4.12Å; F807-F817 AromaticContact CE1-CE1 3.84Å; F807-F817 HydrophobicContact CE1-CE1 3.84Å; F807-F817 HydrophobicContact CE1-CZ 4.06Å
808W92.2Very high90.2Very high5 Ų540.3 Ų40.32%0.01921%0.205CC..Hα-helixtrans-63.8-37.9179175.873000112.6L804 Q805 F806 M813 P814 L818 A849 Q852 A853 E856L804-W808 VanDerWaalsContact O-CB 3.26Å; L804-W808 WeakPolarHBondContact O-CB 3.36Å; L804-W808 PolarHBondContact O-N 3.07Å; Q805-W808 PolarHBondContact O-N 2.95Å; F806-W808 VanDerWaalsContact C-N 3.35Å; F806-W808 PolarHBondContact O-N 2.94Å; W808-M813 HydrophobicContact CD2-CB 4.27Å; W808-M813 HydrophobicContact CD2-CG 4.16Å; W808-M813 HydrophobicContact CE3-CG 3.98Å; W808-M813 HydrophobicContact CH2-CB 3.94Å; W808-M813 HydrophobicContact CH2-CE 3.21Å; W808-M813 HydrophobicContact CH2-CG 3.87Å; W808-M813 HydrophobicContact CH2-SD 4.37Å; W808-M813 HydrophobicContact CZ2-CB 3.6Å; W808-M813 HydrophobicContact CZ2-CE 4.01Å; W808-M813 HydrophobicContact CZ2-CG 4.01Å; W808-M813 HydrophobicContact CZ3-CB 4.36Å; W808-M813 HydrophobicContact CZ3-CE 3.55Å; W808-M813 HydrophobicContact CZ3-CG 3.83Å; W808-M813 HydrophobicContact CZ3-SD 4.39Å; W808-M813 WeakPolarHBondContact O-CA 3.47Å; W808-M813 PolarHBondContact O-N 3.07Å; W808-P814 PolarHBondContact NE1-O 2.92Å; W808-L818 HydrophobicContact CB-CD1 4.24Å; W808-L818 HydrophobicContact CD2-CB 4.18Å; W808-L818 HydrophobicContact CD2-CD2 4.09Å; W808-L818 HydrophobicContact CE3-CD2 4.13Å; W808-L818 HydrophobicContact CG-CB 4.04Å; W808-L818 HydrophobicContact CG-CD1 4.3Å; W808-L818 HydrophobicContact CH2-CD2 4.49Å; W808-L818 HydrophobicContact CZ2-CD2 4.49Å; W808-L818 HydrophobicContact CZ3-CD2 4.34Å; W808-A849 HydrophobicContact CZ3-CB 4.5Å; W808-Q852 HydrophobicContact CH2-CB 4.26Å; W808-A853 HydrophobicContact CE3-CB 4.47Å; W808-A853 HydrophobicContact CZ3-CB 3.93Å; W808-E856 WeakPolarHBondContact CZ2-OE2 3.24Å
809V91.8Very high90.2Very high41 Ų4141.4 Ų41.425%0.24821%0.209CC..Hα-helixtrans-66.2-44173.9172.80000111Q805 F806 F807 K811 N812 P848 A849Q805-V809 VanDerWaalsContact O-CG2 3.32Å; Q805-V809 WeakPolarHBondContact O-CG2 3.34Å; Q805-V809 PolarHBondContact O-N 3.18Å; F806-V809 PolarHBondContact O-N 3.18Å; F807-V809 VanDerWaalsContact C-N 3.33Å; F807-V809 PolarHBondContact O-N 3.22Å; V809-K811 VanDerWaalsContact C-N 3.29Å; V809-K811 PolarHBondContact O-N 3.2Å; V809-N812 PolarHBondContact O-N 3.48Å; V809-N812 VanDerWaalsContact O-N 3.09Å; V809-P848 HydrophobicContact CG1-CG 4.37Å; V809-A849 HydrophobicContact CG2-CB 3.77Å
810D89.7Confident90.2Very high116 Ų11640.6 Ų40.662%0.6220%0.204SC*.Hα-helixtrans-59-38.8177.1-175.270.2000112.3F806 F807 N812F806-D810 PolarHBondContact O-N 2.92Å; F807-D810 PolarHBondContact O-N 3.44Å; D810-N812 PolarHBondContact O-N 2.95Å; D810-N812 VanDerWaalsContact O-N 3.12Å
811K88Confident90.2Very high40 Ų4040.6 Ų40.617%0.17420%0.204CC..THydrogen-bonded Turntrans-77.615.4175.9-61.9-55.2-173.6-175.40115.2E751 Y754 F807 V809E751-K811 IonicContact OE1-NZ 3.79Å; E751-K811 PolarHBondContact OE1-NZ 2.63Å; E751-K811 WeakPolarHBondContact OE2-CE 3.26Å; E751-K811 IonicContact OE2-NZ 3.86Å; E751-K811 PolarHBondContact OE2-NZ 2.89Å; Y754-K811 HydrophobicContact CD1-CD 4.14Å; Y754-K811 HydrophobicContact CD1-CG 4.42Å; Y754-K811 HydrophobicContact CD2-CB 4.39Å; Y754-K811 HydrophobicContact CD2-CG 4.14Å; Y754-K811 HydrophobicContact CE1-CD 3.9Å; Y754-K811 HydrophobicContact CE1-CG 4.35Å; Y754-K811 HydrophobicContact CE2-CB 3.92Å; Y754-K811 HydrophobicContact CE2-CD 4.47Å; Y754-K811 HydrophobicContact CE2-CG 4.06Å; Y754-K811 HydrophobicContact CG-CG 4.32Å; F807-K811 HydrophobicContact CD1-CG 4.25Å; F807-K811 HydrophobicContact CE1-CG 3.72Å; F807-K811 HydrophobicContact CE2-CG 4.32Å; F807-K811 HydrophobicContact CZ-CD 4.25Å; F807-K811 HydrophobicContact CZ-CG 3.75Å; F807-K811 WeakPolarHBondContact O-CG 3.44Å; F807-K811 PolarHBondContact O-N 3.2Å; V809-K811 VanDerWaalsContact C-N 3.29Å; V809-K811 PolarHBondContact O-N 3.2Å
812N89.5Confident90.3Very high148 Ų14840.6 Ų40.679%0.79120%0.204SC*.THydrogen-bonded Turntrans62.236.9-177.7-60.8-68.1000114.6V809 D810V809-N812 PolarHBondContact O-N 3.48Å; V809-N812 VanDerWaalsContact O-N 3.09Å; D810-N812 PolarHBondContact O-N 2.95Å; D810-N812 VanDerWaalsContact O-N 3.12Å
813M88.5Confident90.2Very high68 Ų6841.1 Ų41.134%0.33521%0.207SC..  trans54.558.7169.4-57.1168.97000114.7W808 K815 A849 Q852W808-M813 HydrophobicContact CD2-CB 4.27Å; W808-M813 HydrophobicContact CD2-CG 4.16Å; W808-M813 HydrophobicContact CE3-CG 3.98Å; W808-M813 HydrophobicContact CH2-CB 3.94Å; W808-M813 HydrophobicContact CH2-CE 3.21Å; W808-M813 HydrophobicContact CH2-CG 3.87Å; W808-M813 HydrophobicContact CH2-SD 4.37Å; W808-M813 HydrophobicContact CZ2-CB 3.6Å; W808-M813 HydrophobicContact CZ2-CE 4.01Å; W808-M813 HydrophobicContact CZ2-CG 4.01Å; W808-M813 HydrophobicContact CZ3-CB 4.36Å; W808-M813 HydrophobicContact CZ3-CE 3.55Å; W808-M813 HydrophobicContact CZ3-CG 3.83Å; W808-M813 HydrophobicContact CZ3-SD 4.39Å; W808-M813 WeakPolarHBondContact O-CA 3.47Å; W808-M813 PolarHBondContact O-N 3.07Å; M813-K815 PolarHBondContact O-N 3.18Å; M813-A849 HydrophobicContact CE-CB 4.18Å; M813-A849 HydrophobicContact SD-CB 4.36Å; M813-Q852 HydrophobicContact CE-CB 3.42Å; M813-Q852 VanDerWaalsContact CE-CB 3.42Å; M813-Q852 HydrophobicContact CE-CG 3.85Å
814P86.8Confident90.1Very high23 Ų2340.3 Ų40.315%0.14920%0.202CC..  trans-59.5123.6175.424.6-34.5000111.2Y754 W808 G816 F817Y754-P814 HydrophobicContact CE2-CG 4.06Å; W808-P814 PolarHBondContact NE1-O 2.92Å; P814-G816 PolarHBondContact O-N 3.38Å; P814-F817 HydrophobicContact CB-CB 3.96Å; P814-F817 HydrophobicContact CG-CB 3.7Å; P814-F817 HydrophobicContact CG-CD1 4.05Å; P814-F817 HydrophobicContact CG-CG 4.03Å; P814-F817 PolarHBondContact O-N 3.24Å
815K82.6Confident90Very high199 Ų19940.3 Ų40.387%0.86520%0.202SC*.THydrogen-bonded Turntrans-63.2127.6-176.4-65.3-179-178.1176.30111.5M813 F817M813-K815 PolarHBondContact O-N 3.18Å; K815-F817 PolarHBondContact O-N 3.43Å
816G85.7Confident89.9Confident23 Ų2344 Ų4424%0.23722%0.217CC..THydrogen-bonded Turntrans78.7-5.517600000114P814 R820 E856P814-G816 PolarHBondContact O-N 3.38Å; G816-R820 VanDerWaalsContact C-NH1 3.26Å; G816-R820 VanDerWaalsContact O-CG 3.29Å; G816-R820 WeakPolarHBondContact O-CG 3.34Å; G816-R820 PolarHBondContact O-N 3.16Å; G816-R820 VanDerWaalsContact O-N 3.13Å; G816-R820 PolarHBondContact O-NH1 3.15Å; G816-E856 WeakPolarHBondContact CA-OE1 3.11Å; G816-E856 VanDerWaalsContact N-CD 3.32Å; G816-E856 PolarHBondContact N-OE1 2.89Å; G816-E856 PolarHBondContact N-OE2 3.39Å
817F90.7Very high89.9Confident0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-71.9-46.1176175.1-100.4000110.6I753 Y754 I758 F807 P814 K815 F819 R820 C821 E856I753-F817 HydrophobicContact CG2-CE2 4.18Å; I753-F817 HydrophobicContact CG2-CZ 4.47Å; Y754-F817 HydrophobicContact CD2-CD2 4.42Å; Y754-F817 HydrophobicContact CD2-CE1 4.34Å; Y754-F817 HydrophobicContact CD2-CE2 4.11Å; Y754-F817 HydrophobicContact CD2-CZ 4.06Å; Y754-F817 HydrophobicContact CG-CZ 4.45Å; I758-F817 HydrophobicContact CG1-CD2 4.2Å; F807-F817 HydrophobicContact CD1-CE1 4.12Å; F807-F817 AromaticContact CE1-CE1 3.84Å; F807-F817 HydrophobicContact CE1-CE1 3.84Å; F807-F817 HydrophobicContact CE1-CZ 4.06Å; P814-F817 HydrophobicContact CB-CB 3.96Å; P814-F817 HydrophobicContact CG-CB 3.7Å; P814-F817 HydrophobicContact CG-CD1 4.05Å; P814-F817 HydrophobicContact CG-CG 4.03Å; P814-F817 PolarHBondContact O-N 3.24Å; K815-F817 PolarHBondContact O-N 3.43Å; F817-F819 VanDerWaalsContact C-N 3.27Å; F817-F819 PolarHBondContact O-N 3.41Å; F817-R820 PolarHBondContact O-N 3.19Å; F817-R820 VanDerWaalsContact O-N 3.13Å; F817-C821 VanDerWaalsContact CZ-SG 3.51Å; F817-C821 PolarHBondContact O-N 3.27Å; F817-C821 PolarHBondContact O-SG 3.49Å; F817-E856 PolarHBondContact N-OE1 2.88Å
818L92.5Very high89.6Confident0 Ų043.8 Ų43.80%022%0.222CC..Hα-helixtrans-57.9-45.3176.8-176.966.7000110.2L804 W808 R820 C821 F822 A853 E856 V857L804-L818 HydrophobicContact CD1-CD1 4.41Å; L804-L818 HydrophobicContact CD2-CD1 3.92Å; L804-L818 HydrophobicContact CG-CD1 3.71Å; W808-L818 HydrophobicContact CB-CD1 4.24Å; W808-L818 HydrophobicContact CD2-CB 4.18Å; W808-L818 HydrophobicContact CD2-CD2 4.09Å; W808-L818 HydrophobicContact CE3-CD2 4.13Å; W808-L818 HydrophobicContact CG-CB 4.04Å; W808-L818 HydrophobicContact CG-CD1 4.3Å; W808-L818 HydrophobicContact CH2-CD2 4.49Å; W808-L818 HydrophobicContact CZ2-CD2 4.49Å; W808-L818 HydrophobicContact CZ3-CD2 4.34Å; L818-R820 PolarHBondContact O-N 3.32Å; L818-C821 PolarHBondContact O-N 2.92Å; L818-F822 HydrophobicContact CD1-CD2 3.96Å; L818-F822 HydrophobicContact CD1-CE2 3.52Å; L818-F822 HydrophobicContact CD1-CZ 4.49Å; L818-F822 HydrophobicContact CG-CD2 4.13Å; L818-F822 HydrophobicContact CG-CE2 3.92Å; L818-F822 VanDerWaalsContact O-CD2 3.26Å; L818-F822 WeakPolarHBondContact O-CD2 3.46Å; L818-F822 PolarHBondContact O-N 3.22Å; L818-A853 HydrophobicContact CD2-CB 3.58Å; L818-E856 WeakPolarHBondContact CB-OE1 3.17Å; L818-E856 PolarHBondContact N-OE1 3.48Å; L818-V857 HydrophobicContact CD2-CG1 4.18Å; L818-V857 HydrophobicContact CG-CG1 4.08Å
819F91.4Very high89.3Confident44 Ų4449.9 Ų49.919%0.19325%0.251CS..Hα-helixtrans-57.5-46.5174.8175.7-108.3000113.4F817 F822 M823 E856 V857 W860F817-F819 VanDerWaalsContact C-N 3.27Å; F817-F819 PolarHBondContact O-N 3.41Å; F819-F822 PolarHBondContact O-N 3.16Å; F819-M823 HydrophobicContact CD2-CE 3.99Å; F819-M823 HydrophobicContact CE1-CG 4.11Å; F819-M823 HydrophobicContact CE1-SD 4.47Å; F819-M823 HydrophobicContact CE2-CE 3.46Å; F819-M823 VanDerWaalsContact CE2-CE 3.46Å; F819-M823 HydrophobicContact CE2-CG 4.22Å; F819-M823 HydrophobicContact CE2-SD 3.82Å; F819-M823 HydrophobicContact CZ-CE 3.97Å; F819-M823 HydrophobicContact CZ-CG 3.89Å; F819-M823 HydrophobicContact CZ-SD 3.68Å; F819-M823 WeakPolarHBondContact O-CG 3.44Å; F819-M823 PolarHBondContact O-N 2.74Å; F819-E856 HydrophobicContact CB-CG 4.17Å; F819-E856 PolarHBondContact N-OE1 3.09Å; F819-V857 HydrophobicContact CB-CG1 4.47Å; F819-W860 HydrophobicContact CD2-CB 4.34Å; F819-W860 HydrophobicContact CE2-CB 3.61Å; F819-W860 HydrophobicContact CE2-CG 4.01Å
820R90.3Very high89.1Confident17 Ų1748 Ų486%0.06424%0.239CC..Hα-helixtrans-65.9-38.1178.1-70.5-173.9-45.9-91.710.5112.1E774 G816 F817 L818 M823 N824E774-R820 VanDerWaalsContact CD-NE 3.25Å; E774-R820 IonicContact OE1-CZ 2.88Å; E774-R820 VanDerWaalsContact OE1-CZ 3.3Å; E774-R820 IonicContact OE1-NE 2.86Å; E774-R820 PolarHBondContact OE1-NE 3.44Å; E774-R820 IonicContact OE1-NH2 3.77Å; E774-R820 PolarHBondContact OE1-NH2 3.14Å; E774-R820 VanDerWaalsContact OE2-CB 3.22Å; E774-R820 WeakPolarHBondContact OE2-CB 3.49Å; E774-R820 VanDerWaalsContact OE2-CD 3.31Å; E774-R820 WeakPolarHBondContact OE2-CD 3.18Å; E774-R820 IonicContact OE2-CZ 3.01Å; E774-R820 IonicContact OE2-NE 3.99Å; E774-R820 PolarHBondContact OE2-NE 2.87Å; E774-R820 IonicContact OE2-NH2 2.63Å; G816-R820 VanDerWaalsContact C-NH1 3.26Å; G816-R820 VanDerWaalsContact O-CG 3.29Å; G816-R820 WeakPolarHBondContact O-CG 3.34Å; G816-R820 PolarHBondContact O-N 3.16Å; G816-R820 VanDerWaalsContact O-N 3.13Å; G816-R820 PolarHBondContact O-NH1 3.15Å; F817-R820 PolarHBondContact O-N 3.19Å; F817-R820 VanDerWaalsContact O-N 3.13Å; L818-R820 PolarHBondContact O-N 3.32Å; R820-M823 PolarHBondContact O-N 3.23Å; R820-N824 PolarHBondContact O-N 3.34Å; R820-N824 PolarHBondContact O-ND2 3.22Å
821C92.1Very high89.2Confident0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-62-44.2173.2-70.90000111.8L804 F817 L818 M823 N824 L825L804-C821 HydrophobicContact CD1-CB 3.95Å; L804-C821 HydrophobicContact CD2-CB 3.56Å; L804-C821 HydrophobicContact CG-CB 4.39Å; F817-C821 VanDerWaalsContact CZ-SG 3.51Å; F817-C821 PolarHBondContact O-N 3.27Å; F817-C821 PolarHBondContact O-SG 3.49Å; L818-C821 PolarHBondContact O-N 2.92Å; C821-M823 VanDerWaalsContact C-N 3.32Å; C821-M823 PolarHBondContact O-N 3.36Å; C821-N824 PolarHBondContact O-N 3.34Å; C821-N824 VanDerWaalsContact O-N 3.15Å; C821-L825 WeakPolarHBondContact O-CB 3.43Å; C821-L825 VanDerWaalsContact O-CG 3.26Å; C821-L825 WeakPolarHBondContact O-CG 3.39Å; C821-L825 PolarHBondContact O-N 3.5Å
822F93.7Very high89.3Confident0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-58.7-43.5175.4-86.9-131.5000111.6L801 L804 L818 F819 N824 L825 Y826 F836 W839 V857 W860L801-F822 HydrophobicContact CD2-CE1 4.32Å; L801-F822 HydrophobicContact CD2-CE2 4.14Å; L801-F822 HydrophobicContact CD2-CZ 3.95Å; L804-F822 HydrophobicContact CD2-CD2 3.68Å; L804-F822 HydrophobicContact CD2-CE2 3.66Å; L804-F822 HydrophobicContact CG-CE2 4.48Å; L818-F822 HydrophobicContact CD1-CD2 3.96Å; L818-F822 HydrophobicContact CD1-CE2 3.52Å; L818-F822 HydrophobicContact CD1-CZ 4.49Å; L818-F822 HydrophobicContact CG-CD2 4.13Å; L818-F822 HydrophobicContact CG-CE2 3.92Å; L818-F822 VanDerWaalsContact O-CD2 3.26Å; L818-F822 WeakPolarHBondContact O-CD2 3.46Å; L818-F822 PolarHBondContact O-N 3.22Å; F819-F822 PolarHBondContact O-N 3.16Å; F822-N824 VanDerWaalsContact C-N 3.34Å; F822-N824 PolarHBondContact O-N 2.93Å; F822-L825 PolarHBondContact O-N 2.99Å; F822-Y826 PolarHBondContact O-N 3.27Å; F822-F836 HydrophobicContact CB-CE1 4.3Å; F822-F836 AromaticContact CD1-CD1 3.73Å; F822-F836 HydrophobicContact CD1-CD1 3.73Å; F822-F836 AromaticContact CD1-CE1 3.61Å; F822-F836 HydrophobicContact CD1-CE1 3.61Å; F822-F836 AromaticContact CE1-CD1 3.85Å; F822-F836 HydrophobicContact CE1-CD1 3.85Å; F822-F836 HydrophobicContact CE1-CE1 4.03Å; F822-F836 AromaticContact CG-CE1 3.97Å; F822-F836 HydrophobicContact CG-CE1 3.97Å; F822-W839 AromaticContact CE1-CE3 3.96Å; F822-W839 HydrophobicContact CE1-CE3 3.96Å; F822-W839 HydrophobicContact CE1-CH2 4.2Å; F822-W839 AromaticContact CE1-CZ3 3.74Å; F822-W839 HydrophobicContact CE1-CZ3 3.74Å; F822-W839 HydrophobicContact CZ-CD2 4.39Å; F822-W839 HydrophobicContact CZ-CE3 4.11Å; F822-W839 AromaticContact CZ-CH2 3.84Å; F822-W839 HydrophobicContact CZ-CH2 3.84Å; F822-W839 HydrophobicContact CZ-CZ2 4.13Å; F822-W839 AromaticContact CZ-CZ3 3.83Å; F822-W839 HydrophobicContact CZ-CZ3 3.83Å; F822-V857 HydrophobicContact CD1-CB 4.08Å; F822-V857 HydrophobicContact CD1-CG1 3.95Å; F822-V857 HydrophobicContact CD1-CG2 4.2Å; F822-V857 HydrophobicContact CD2-CG1 4.36Å; F822-V857 HydrophobicContact CE1-CB 4.29Å; F822-V857 HydrophobicContact CE1-CG1 4.24Å; F822-V857 HydrophobicContact CE1-CG2 3.92Å; F822-V857 HydrophobicContact CG-CG1 4.04Å; F822-W860 HydrophobicContact CB-CE3 4.44Å; F822-W860 HydrophobicContact CB-CH2 4.4Å; F822-W860 HydrophobicContact CB-CZ3 4.02Å; F822-W860 HydrophobicContact CD1-CE3 4.28Å; F822-W860 AromaticContact CD1-CZ3 3.77Å; F822-W860 HydrophobicContact CD1-CZ3 3.77Å; F822-W860 HydrophobicContact CG-CZ3 4.4Å
823M90.1Very high89.2Confident17 Ų1738.7 Ų38.78%0.08420%0.195CC..Hα-helixtrans-59.6-45.5175.4-66-50.184.200111.4M771 F819 R820 C821 Y826 N827 W860M771-M823 HydrophobicContact CE-CB 3.66Å; M771-M823 HydrophobicContact CE-CG 3.69Å; F819-M823 HydrophobicContact CD2-CE 3.99Å; F819-M823 HydrophobicContact CE1-CG 4.11Å; F819-M823 HydrophobicContact CE1-SD 4.47Å; F819-M823 HydrophobicContact CE2-CE 3.46Å; F819-M823 VanDerWaalsContact CE2-CE 3.46Å; F819-M823 HydrophobicContact CE2-CG 4.22Å; F819-M823 HydrophobicContact CE2-SD 3.82Å; F819-M823 HydrophobicContact CZ-CE 3.97Å; F819-M823 HydrophobicContact CZ-CG 3.89Å; F819-M823 HydrophobicContact CZ-SD 3.68Å; F819-M823 WeakPolarHBondContact O-CG 3.44Å; F819-M823 PolarHBondContact O-N 2.74Å; R820-M823 PolarHBondContact O-N 3.23Å; C821-M823 VanDerWaalsContact C-N 3.32Å; C821-M823 PolarHBondContact O-N 3.36Å; M823-Y826 PolarHBondContact O-N 3.05Å; M823-N827 VanDerWaalsContact O-CB 3.3Å; M823-N827 WeakPolarHBondContact O-CB 3.43Å; M823-N827 PolarHBondContact O-N 3.45Å; M823-N827 PolarHBondContact O-ND2 3.03Å; M823-N827 VanDerWaalsContact O-ND2 3.08Å; M823-W860 HydrophobicContact CE-CB 4.22Å; M823-W860 HydrophobicContact CE-CD2 3.1Å; M823-W860 HydrophobicContact CE-CE3 3.72Å; M823-W860 HydrophobicContact CE-CG 3.33Å; M823-W860 HydrophobicContact CE-CH2 4.03Å; M823-W860 HydrophobicContact CE-CZ2 3.49Å; M823-W860 VanDerWaalsContact CE-CZ2 3.49Å; M823-W860 HydrophobicContact CE-CZ3 4.16Å; M823-W860 VanDerWaalsContact SD-CD1 3.57Å; M823-W860 HydrophobicContact SD-CD2 4.29Å; M823-W860 HydrophobicContact SD-CG 4.1Å; M823-W860 HydrophobicContact SD-CZ2 4.42Å; M823-W860 PolarHBondContact SD-NE1 2.68Å; M823-W860 VanDerWaalsContact SD-NE1 3.41Å
824N89.8Confident89.2Confident0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-71.7-36.2-176.6-71.7-33.5000112W778 R820 C821 F822 Y826 N827 C828W778-N824 HydrophobicContact CB-CB 4.48Å; W778-N824 HydrophobicContact CD2-CB 4.14Å; W778-N824 HydrophobicContact CG-CB 3.77Å; R820-N824 PolarHBondContact O-N 3.34Å; R820-N824 PolarHBondContact O-ND2 3.22Å; C821-N824 PolarHBondContact O-N 3.34Å; C821-N824 VanDerWaalsContact O-N 3.15Å; F822-N824 VanDerWaalsContact C-N 3.34Å; F822-N824 PolarHBondContact O-N 2.93Å; N824-Y826 VanDerWaalsContact C-N 3.32Å; N824-Y826 PolarHBondContact O-N 3.46Å; N824-N827 PolarHBondContact O-N 3.39Å; N824-C828 VanDerWaalsContact O-CB 3.22Å; N824-C828 WeakPolarHBondContact O-CB 3.45Å; N824-C828 PolarHBondContact O-N 2.89Å; N824-C828 PolarHBondContact O-SG 3.25Å
825L91.1Very high89.4Confident0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-61.6-39.9173.3-72168.4000111.8W778 L801 L804 C821 F822 L830 I831 F836W778-L825 HydrophobicContact CH2-CD2 3.9Å; W778-L825 HydrophobicContact CH2-CG 4.49Å; W778-L825 HydrophobicContact CZ3-CD2 4.03Å; L801-L825 HydrophobicContact CD2-CD1 4.26Å; L804-L825 HydrophobicContact CD2-CD1 3.63Å; C821-L825 WeakPolarHBondContact O-CB 3.43Å; C821-L825 VanDerWaalsContact O-CG 3.26Å; C821-L825 WeakPolarHBondContact O-CG 3.39Å; C821-L825 PolarHBondContact O-N 3.5Å; F822-L825 PolarHBondContact O-N 2.99Å; L825-L830 HydrophobicContact CD2-CB 4.28Å; L825-L830 HydrophobicContact CD2-CD1 3.81Å; L825-L830 PolarHBondContact O-N 3.27Å; L825-I831 HydrophobicContact CB-CD1 4.08Å; L825-I831 HydrophobicContact CB-CG1 4.34Å; L825-I831 HydrophobicContact CD1-CD1 3.83Å; L825-I831 HydrophobicContact CD2-CD1 4.13Å; L825-I831 HydrophobicContact CG-CD1 4.23Å; L825-I831 PolarHBondContact O-N 2.9Å; L825-F836 HydrophobicContact CB-CZ 4.08Å
826Y90.5Very high89.9Confident79 Ų7929.4 Ų29.431%0.3116%0.155SC..Hα-helixtrans-69.9-49.8173.8179.5-98000112.1F822 M823 N824 C828 E829 F836 W860 L864F822-Y826 PolarHBondContact O-N 3.27Å; M823-Y826 PolarHBondContact O-N 3.05Å; N824-Y826 VanDerWaalsContact C-N 3.32Å; N824-Y826 PolarHBondContact O-N 3.46Å; Y826-C828 VanDerWaalsContact C-N 3.31Å; Y826-C828 PolarHBondContact O-N 3.42Å; Y826-E829 WeakPolarHBondContact O-CA 3.37Å; Y826-E829 PolarHBondContact O-N 2.82Å; Y826-F836 HydrophobicContact CD2-CE2 4.17Å; Y826-W860 HydrophobicContact CD1-CZ2 4.29Å; Y826-W860 HydrophobicContact CD2-CH2 4.49Å; Y826-W860 HydrophobicContact CD2-CZ2 4.22Å; Y826-W860 HydrophobicContact CG-CH2 4.33Å; Y826-W860 AromaticContact CG-CZ2 3.84Å; Y826-W860 HydrophobicContact CG-CZ2 3.84Å; Y826-L864 HydrophobicContact CD2-CD2 4.27Å; Y826-L864 HydrophobicContact CE1-CD2 4.46Å; Y826-L864 HydrophobicContact CE2-CD2 3.7Å
827N88.5Confident90.1Very high71 Ų7129.7 Ų29.738%0.3815%0.151SC..Hα-helixtrans-65.2-31.5-178.1-70.6-30000113.5M823 N824 E829M823-N827 VanDerWaalsContact O-CB 3.3Å; M823-N827 WeakPolarHBondContact O-CB 3.43Å; M823-N827 PolarHBondContact O-N 3.45Å; M823-N827 PolarHBondContact O-ND2 3.03Å; M823-N827 VanDerWaalsContact O-ND2 3.08Å; N824-N827 PolarHBondContact O-N 3.39Å; N827-E829 PolarHBondContact O-N 2.81Å
828C85.8Confident90Very high29 Ų2932.1 Ų32.120%0.19617%0.167CC..THydrogen-bonded Turntrans-83.94.6174.6-60.20000112.3N824 Y826 L830N824-C828 VanDerWaalsContact O-CB 3.22Å; N824-C828 WeakPolarHBondContact O-CB 3.45Å; N824-C828 PolarHBondContact O-N 2.89Å; N824-C828 PolarHBondContact O-SG 3.25Å; Y826-C828 VanDerWaalsContact C-N 3.31Å; Y826-C828 PolarHBondContact O-N 3.42Å; C828-L830 HydrophobicContact CB-CD1 3.99Å; C828-L830 HydrophobicContact CB-CD2 4.48Å; C828-L830 HydrophobicContact CB-CG 3.8Å; C828-L830 PolarHBondContact O-N 3.13Å
829E87Confident89.9Confident132 Ų13232.1 Ų32.162%0.61717%0.168SC*.THydrogen-bonded Turntrans53.437.6179.6-56.7175.3177.400113.2R791 Y826 N827R791-E829 PolarHBondContact NE-O 3.03Å; R791-E829 VanDerWaalsContact NH2-CB 3.26Å; R791-E829 PolarHBondContact NH2-O 3.45Å; R791-E829 IonicContact NH2-OE2 3.52Å; R791-E829 PolarHBondContact NH2-OE2 3.45Å; Y826-E829 WeakPolarHBondContact O-CA 3.37Å; Y826-E829 PolarHBondContact O-N 2.82Å; N827-E829 PolarHBondContact O-N 2.81Å
830L87.5Confident89.8Confident2 Ų232.3 Ų32.31%0.0117%0.168CC..SBendtrans-85.5-32.2177.8-59178.1000111.3W778 V782 I787 L790 L825 C828W778-L830 HydrophobicContact CE3-CD1 4.17Å; W778-L830 HydrophobicContact CZ3-CD1 3.98Å; V782-L830 HydrophobicContact CG1-CD1 4.24Å; V782-L830 HydrophobicContact CG1-CD2 3.9Å; V782-L830 HydrophobicContact CG2-CD1 4.15Å; I787-L830 HydrophobicContact CB-CD2 4.34Å; I787-L830 HydrophobicContact CD1-CD2 4.32Å; I787-L830 HydrophobicContact CG1-CD2 3.64Å; I787-L830 HydrophobicContact CG2-CD2 4.36Å; L790-L830 HydrophobicContact CD1-CB 4.23Å; L825-L830 HydrophobicContact CD2-CB 4.28Å; L825-L830 HydrophobicContact CD2-CD1 3.81Å; L825-L830 PolarHBondContact O-N 3.27Å; C828-L830 HydrophobicContact CB-CD1 3.99Å; C828-L830 HydrophobicContact CB-CD2 4.48Å; C828-L830 HydrophobicContact CB-CG 3.8Å; C828-L830 PolarHBondContact O-N 3.13Å
831I91.3Very high89.6Confident4 Ų438.8 Ų38.82%0.02120%0.199CC..SBendtrans-132126.7-175.5-59-174.8000108Q797 A800 L801 L825 A835 F836Q797-I831 HydrophobicContact CB-CG1 4.34Å; Q797-I831 HydrophobicContact CB-CG2 4.22Å; A800-I831 HydrophobicContact CB-CD1 4.08Å; L801-I831 HydrophobicContact CD1-CG2 4.33Å; L801-I831 HydrophobicContact CD2-CD1 3.47Å; L801-I831 VanDerWaalsContact CD2-CD1 3.47Å; L801-I831 HydrophobicContact CG-CD1 3.78Å; L825-I831 HydrophobicContact CB-CD1 4.08Å; L825-I831 HydrophobicContact CB-CG1 4.34Å; L825-I831 HydrophobicContact CD1-CD1 3.83Å; L825-I831 HydrophobicContact CD2-CD1 4.13Å; L825-I831 HydrophobicContact CG-CD1 4.23Å; L825-I831 PolarHBondContact O-N 2.9Å; I831-A835 HydrophobicContact CG2-CB 3.71Å; I831-F836 HydrophobicContact CB-CD2 4.38Å; I831-F836 HydrophobicContact CB-CE2 3.64Å; I831-F836 HydrophobicContact CB-CZ 3.76Å; I831-F836 HydrophobicContact CD1-CZ 4.42Å; I831-F836 HydrophobicContact CG2-CD1 4.31Å; I831-F836 HydrophobicContact CG2-CD2 3.63Å; I831-F836 HydrophobicContact CG2-CE1 4.11Å; I831-F836 HydrophobicContact CG2-CE2 3.37Å; I831-F836 HydrophobicContact CG2-CG 4.1Å; I831-F836 HydrophobicContact CG2-CZ 3.64Å; I831-F836 WeakPolarHBondContact O-CE2 3.45Å
832C89.9Confident89.1Confident68 Ų6841 Ų4146%0.45921%0.209SC..  trans-78159.5177.1-60.30000110.8D834 A835 F836C832-D834 VanDerWaalsContact C-N 3.35Å; C832-D834 PolarHBondContact O-N 3.03Å; C832-A835 WeakPolarHBondContact O-CB 3.22Å; C832-A835 PolarHBondContact O-N 2.94Å; C832-A835 VanDerWaalsContact O-N 3.12Å; C832-F836 VanDerWaalsContact O-CD2 3.31Å; C832-F836 WeakPolarHBondContact O-CD2 3.07Å; C832-F836 PolarHBondContact O-N 3.42Å
833E88.1Confident88.3Confident37 Ų3747.4 Ų47.417%0.17325%0.248CC..Hα-helixtrans-55.9-46.5178.9179.8161.5-173.800112.9A835 F836 L837 L864E833-A835 PolarHBondContact O-N 3.36Å; E833-A835 VanDerWaalsContact O-N 3.12Å; E833-F836 WeakPolarHBondContact O-CB 3.28Å; E833-F836 PolarHBondContact O-N 3.13Å; E833-L837 HydrophobicContact CG-CD1 4.06Å; E833-L837 HydrophobicContact CG-CG 4.36Å; E833-L837 PolarHBondContact O-N 3.4Å; E833-L864 HydrophobicContact CG-CB 4.43Å; E833-L864 WeakPolarHBondContact OE1-CB 3.49Å
834D89Confident87.6Confident94 Ų9449.2 Ų49.250%0.50326%0.259SS..Hα-helixtrans-52-37.4176.4-66.6-25.8000113.1C832 S838C832-D834 VanDerWaalsContact C-N 3.35Å; C832-D834 PolarHBondContact O-N 3.03Å; D834-S838 WeakPolarHBondContact O-CB 3.45Å; D834-S838 PolarHBondContact O-N 2.9Å; D834-S838 PolarHBondContact O-OG 3.44Å
835A91Very high86.7Confident0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-72-39.1179.400000111.5T794 Q797 L798 I831 C832 E833 S838 W839T794-A835 HydrophobicContact CG2-CB 3.92Å; Q797-A835 HydrophobicContact CB-CB 3.71Å; L798-A835 WeakPolarHBondContact CD2-O 3.48Å; I831-A835 HydrophobicContact CG2-CB 3.71Å; C832-A835 WeakPolarHBondContact O-CB 3.22Å; C832-A835 PolarHBondContact O-N 2.94Å; C832-A835 VanDerWaalsContact O-N 3.12Å; E833-A835 PolarHBondContact O-N 3.36Å; E833-A835 VanDerWaalsContact O-N 3.12Å; A835-S838 PolarHBondContact O-N 3.04Å; A835-W839 WeakPolarHBondContact O-CB 3.28Å; A835-W839 PolarHBondContact O-N 2.99Å
836F92.4Very high85.9Confident0 Ų059.1 Ų59.10%032%0.324CS..Hα-helixtrans-64.4-40.7174-73.8-71.5000112.1L801 F822 L825 Y826 I831 C832 E833 W839 K840 W860 L861L801-F836 HydrophobicContact CD1-CD1 4.01Å; L801-F836 HydrophobicContact CD1-CE1 4.45Å; L801-F836 HydrophobicContact CD2-CD1 3.91Å; L801-F836 HydrophobicContact CD2-CE1 3.57Å; L801-F836 HydrophobicContact CD2-CZ 4.43Å; F822-F836 HydrophobicContact CB-CE1 4.3Å; F822-F836 AromaticContact CD1-CD1 3.73Å; F822-F836 HydrophobicContact CD1-CD1 3.73Å; F822-F836 AromaticContact CD1-CE1 3.61Å; F822-F836 HydrophobicContact CD1-CE1 3.61Å; F822-F836 AromaticContact CE1-CD1 3.85Å; F822-F836 HydrophobicContact CE1-CD1 3.85Å; F822-F836 HydrophobicContact CE1-CE1 4.03Å; F822-F836 AromaticContact CG-CE1 3.97Å; F822-F836 HydrophobicContact CG-CE1 3.97Å; L825-F836 HydrophobicContact CB-CZ 4.08Å; Y826-F836 HydrophobicContact CD2-CE2 4.17Å; I831-F836 HydrophobicContact CB-CD2 4.38Å; I831-F836 HydrophobicContact CB-CE2 3.64Å; I831-F836 HydrophobicContact CB-CZ 3.76Å; I831-F836 HydrophobicContact CD1-CZ 4.42Å; I831-F836 HydrophobicContact CG2-CD1 4.31Å; I831-F836 HydrophobicContact CG2-CD2 3.63Å; I831-F836 HydrophobicContact CG2-CE1 4.11Å; I831-F836 HydrophobicContact CG2-CE2 3.37Å; I831-F836 HydrophobicContact CG2-CG 4.1Å; I831-F836 HydrophobicContact CG2-CZ 3.64Å; I831-F836 WeakPolarHBondContact O-CE2 3.45Å; C832-F836 VanDerWaalsContact O-CD2 3.31Å; C832-F836 WeakPolarHBondContact O-CD2 3.07Å; C832-F836 PolarHBondContact O-N 3.42Å; E833-F836 WeakPolarHBondContact O-CB 3.28Å; E833-F836 PolarHBondContact O-N 3.13Å; F836-W839 PolarHBondContact O-N 3.02Å; F836-K840 PolarHBondContact O-N 3.31Å; F836-W860 HydrophobicContact CD1-CH2 4.08Å; F836-W860 AromaticContact CD1-CZ3 3.84Å; F836-W860 HydrophobicContact CD1-CZ3 3.84Å; F836-W860 HydrophobicContact CD2-CH2 4.05Å; F836-W860 HydrophobicContact CD2-CZ3 4.48Å; F836-W860 AromaticContact CE1-CH2 3.93Å; F836-W860 HydrophobicContact CE1-CH2 3.93Å; F836-W860 AromaticContact CE1-CZ3 3.97Å; F836-W860 HydrophobicContact CE1-CZ3 3.97Å; F836-W860 AromaticContact CE2-CH2 3.91Å; F836-W860 HydrophobicContact CE2-CH2 3.91Å; F836-W860 HydrophobicContact CG-CH2 4.13Å; F836-W860 HydrophobicContact CG-CZ3 4.11Å; F836-W860 AromaticContact CZ-CH2 3.85Å; F836-W860 HydrophobicContact CZ-CH2 3.85Å; F836-W860 HydrophobicContact CZ-CZ3 4.37Å; F836-L861 HydrophobicContact CB-CD2 3.84Å; F836-L861 HydrophobicContact CD1-CD2 4.47Å; F836-L861 HydrophobicContact CG-CD2 4.49Å
837L89.2Confident85.3Confident30 Ų3057.3 Ų57.316%0.15732%0.317CS..Hα-helixtrans-70.5-41.1177.1-63.8179.6000111.4E833 W839 K840 E841 E865E833-L837 HydrophobicContact CG-CD1 4.06Å; E833-L837 HydrophobicContact CG-CG 4.36Å; E833-L837 PolarHBondContact O-N 3.4Å; L837-W839 VanDerWaalsContact C-N 3.28Å; L837-W839 PolarHBondContact O-N 3.48Å; L837-K840 HydrophobicContact CD2-CD 4.42Å; L837-K840 WeakPolarHBondContact O-CA 3.27Å; L837-K840 VanDerWaalsContact O-CB 3.27Å; L837-K840 WeakPolarHBondContact O-CB 3.34Å; L837-K840 PolarHBondContact O-N 3.47Å; L837-E841 PolarHBondContact O-N 2.97Å; L837-E865 HydrophobicContact CD2-CB 4.23Å
838S88.9Confident84.9Confident50 Ų5057 Ų5735%0.3532%0.32SS..Hα-helixtrans-59.1-41.2172.4-63.80000111.2D834 A835 K840 E841 E842D834-S838 WeakPolarHBondContact O-CB 3.45Å; D834-S838 PolarHBondContact O-N 2.9Å; D834-S838 PolarHBondContact O-OG 3.44Å; A835-S838 PolarHBondContact O-N 3.04Å; S838-K840 VanDerWaalsContact C-N 3.33Å; S838-K840 PolarHBondContact O-N 3.48Å; S838-E841 PolarHBondContact O-N 3.31Å; S838-E842 WeakPolarHBondContact O-CB 3.31Å; S838-E842 PolarHBondContact O-N 2.93Å
839W91.5Very high84.8Confident1 Ų156.9 Ų56.90%0.00432%0.32CS..Hα-helixtrans-65.9-32.6173.8177.886.8000113.2L798 L801 H802 F822 A835 F836 L837 E842 K850 A853 V857 L861L798-W839 HydrophobicContact CD2-CB 3.72Å; L801-W839 HydrophobicContact CB-CG 4.07Å; L801-W839 HydrophobicContact CD1-CB 3.5Å; L801-W839 HydrophobicContact CD1-CD2 4.5Å; L801-W839 HydrophobicContact CD1-CG 3.8Å; H802-W839 AromaticContact NE2-CD1 3.98Å; F822-W839 AromaticContact CE1-CE3 3.96Å; F822-W839 HydrophobicContact CE1-CE3 3.96Å; F822-W839 HydrophobicContact CE1-CH2 4.2Å; F822-W839 AromaticContact CE1-CZ3 3.74Å; F822-W839 HydrophobicContact CE1-CZ3 3.74Å; F822-W839 HydrophobicContact CZ-CD2 4.39Å; F822-W839 HydrophobicContact CZ-CE3 4.11Å; F822-W839 AromaticContact CZ-CH2 3.84Å; F822-W839 HydrophobicContact CZ-CH2 3.84Å; F822-W839 HydrophobicContact CZ-CZ2 4.13Å; F822-W839 AromaticContact CZ-CZ3 3.83Å; F822-W839 HydrophobicContact CZ-CZ3 3.83Å; A835-W839 WeakPolarHBondContact O-CB 3.28Å; A835-W839 PolarHBondContact O-N 2.99Å; F836-W839 PolarHBondContact O-N 3.02Å; L837-W839 VanDerWaalsContact C-N 3.28Å; L837-W839 PolarHBondContact O-N 3.48Å; W839-E842 VanDerWaalsContact CA-OE1 3.28Å; W839-E842 WeakPolarHBondContact CA-OE1 3.43Å; W839-K850 VanDerWaalsContact O-CE 3.24Å; W839-K850 WeakPolarHBondContact O-CE 3.47Å; W839-K850 PolarHBondContact O-NZ 2.91Å; W839-A853 HydrophobicContact CH2-CB 4.04Å; W839-A853 HydrophobicContact CZ2-CB 4.24Å; W839-V857 HydrophobicContact CH2-CG2 4.09Å; W839-V857 HydrophobicContact CZ3-CG2 3.75Å; W839-L861 HydrophobicContact CE3-CD1 4.37Å; W839-L861 HydrophobicContact CZ3-CD1 4.07Å
840K87.4Confident84.9Confident47 Ų4752 Ų5220%0.20430%0.297CS..Hα-helixtrans-65.6-40.8174.7-177.4-170.2172.6-161.30111.5F836 L837 S838 L854 L861 E865F836-K840 PolarHBondContact O-N 3.31Å; L837-K840 HydrophobicContact CD2-CD 4.42Å; L837-K840 WeakPolarHBondContact O-CA 3.27Å; L837-K840 VanDerWaalsContact O-CB 3.27Å; L837-K840 WeakPolarHBondContact O-CB 3.34Å; L837-K840 PolarHBondContact O-N 3.47Å; S838-K840 VanDerWaalsContact C-N 3.33Å; S838-K840 PolarHBondContact O-N 3.48Å; K840-L854 HydrophobicContact CG-CD1 4Å; K840-L861 HydrophobicContact CB-CD1 4.11Å; K840-L861 HydrophobicContact CD-CB 4.3Å; K840-L861 HydrophobicContact CD-CD1 4.3Å; K840-L861 HydrophobicContact CG-CD1 4.13Å; K840-E865 IonicContact NZ-OE1 3.29Å; K840-E865 IonicContact NZ-OE2 3.03Å; K840-E865 PolarHBondContact NZ-OE2 2.88Å
841E86.3Confident84.9Confident154 Ų15454.4 Ų54.472%0.7232%0.322SS*.Hα-helixtrans-83.3-31-175.3-66.2-168.9167.400113.9L837 S838 V843L837-E841 PolarHBondContact O-N 2.97Å; S838-E841 PolarHBondContact O-N 3.31Å; E841-V843 PolarHBondContact O-N 3.47Å
842E82.1Confident84.8Confident45 Ų4559.4 Ų59.421%0.2135%0.345CS..  trans-66.4136.3-178.276.4-171.3159.500111H802 S838 W839 K850H802-E842 IonicContact CD2-OE1 2.71Å; H802-E842 VanDerWaalsContact CE1-CD 3.41Å; H802-E842 IonicContact CE1-OE1 3.9Å; H802-E842 PolarHBondContact CE1-OE1 2.89Å; H802-E842 IonicContact CE1-OE2 2.67Å; H802-E842 PolarHBondContact CE1-OE2 3.32Å; H802-E842 VanDerWaalsContact CE1-OE2 3.29Å; H802-E842 IonicContact NE2-OE1 2.9Å; H802-E842 PolarHBondContact NE2-OE1 2.81Å; H802-E842 IonicContact NE2-OE2 2.94Å; S838-E842 WeakPolarHBondContact O-CB 3.31Å; S838-E842 PolarHBondContact O-N 2.93Å; W839-E842 VanDerWaalsContact CA-OE1 3.28Å; W839-E842 WeakPolarHBondContact CA-OE1 3.43Å; E842-K850 WeakPolarHBondContact O-CE 3.37Å; E842-K850 PolarHBondContact O-NZ 3.32Å; E842-K850 IonicContact OE1-NZ 3.16Å
843V76.9Confident84.7Confident135 Ų13556.1 Ų56.182%0.81832%0.323SS*.  trans-119.690.5175.2-177.20000108E841E841-V843 PolarHBondContact O-N 3.47Å
844N74.6Confident84.7Confident56 Ų5656.8 Ų56.830%0.29933%0.328SS..  trans-106.6115.2178.9-173.8-20.3000110S846 Y847N844-S846 PolarHBondContact O-N 2.87Å; N844-S846 VanDerWaalsContact O-N 3.16Å; N844-S846 WeakPolarHBondContact OD1-CB 3.32Å; N844-S846 PolarHBondContact OD1-N 3.33Å; N844-S846 PolarHBondContact OD1-OG 3.1Å; N844-Y847 HydrophobicContact CB-CD2 3.77Å; N844-Y847 HydrophobicContact CB-CE2 4Å; N844-Y847 VanDerWaalsContact ND2-CE2 3.32Å; N844-Y847 WeakPolarHBondContact ND2-CE2 3.46Å; N844-Y847 PolarHBondContact O-N 3.4Å
845P71.3Confident84.7Confident128 Ų12861.2 Ų61.283%0.83134%0.343SS*.THydrogen-bonded Turntrans-67.8-11.8-177.629.4-36000113.4Y847P845-Y847 VanDerWaalsContact C-N 3.26Å; P845-Y847 PolarHBondContact O-N 3.09Å
846S75.4Confident84.6Confident79 Ų7963.4 Ų63.455%0.55235%0.353SS*.THydrogen-bonded Turntrans-68.2-22.7177.5-56.20000113.2N844 P848N844-S846 PolarHBondContact O-N 2.87Å; N844-S846 VanDerWaalsContact O-N 3.16Å; N844-S846 WeakPolarHBondContact OD1-CB 3.32Å; N844-S846 PolarHBondContact OD1-N 3.33Å; N844-S846 PolarHBondContact OD1-OG 3.1Å; S846-P848 WeakPolarHBondContact O-CD 3.35Å
847Y78.1Confident84.5Confident41 Ų4163.4 Ų63.416%0.16135%0.353CS..SBendtrans-105.5105.4-176.4-55.6-78.7000111.2H802 Q805 F806 N844 P845H802-Y847 HydrophobicContact CB-CD1 4.03Å; H802-Y847 HydrophobicContact CB-CE1 3.44Å; H802-Y847 VanDerWaalsContact CB-CE1 3.44Å; H802-Y847 HydrophobicContact CB-CE2 4.38Å; H802-Y847 AromaticContact CD2-CD1 3.75Å; H802-Y847 AromaticContact CD2-CD2 3.36Å; H802-Y847 WeakPolarHBondContact CD2-CD2 3.42Å; H802-Y847 AromaticContact CD2-CE1 3.68Å; H802-Y847 AromaticContact CD2-CE2 3.25Å; H802-Y847 WeakPolarHBondContact CD2-CE2 3.22Å; H802-Y847 AromaticContact CD2-CG 3.61Å; H802-Y847 AromaticContact CD2-CZ 3.45Å; H802-Y847 VanDerWaalsContact CD2-CZ 3.45Å; H802-Y847 AromaticContact CE1-CE2 3.58Å; H802-Y847 AromaticContact CE1-CZ 3.95Å; H802-Y847 AromaticContact CG-CE1 3.56Å; H802-Y847 AromaticContact CG-CE2 3.58Å; H802-Y847 AromaticContact CG-CZ 3.3Å; H802-Y847 AromaticContact ND1-CE2 3.76Å; H802-Y847 AromaticContact ND1-CZ 3.62Å; H802-Y847 PolarHBondContact ND1-OH 3.5Å; H802-Y847 AromaticContact NE2-CD2 3.43Å; H802-Y847 WeakPolarHBondContact NE2-CD2 3.49Å; H802-Y847 AromaticContact NE2-CE2 3.21Å; H802-Y847 WeakPolarHBondContact NE2-CE2 3.44Å; H802-Y847 AromaticContact NE2-CZ 3.82Å; Q805-Y847 PolarHBondContact NE2-O 2.91Å; F806-Y847 AromaticContact CD2-CD1 3.64Å; F806-Y847 HydrophobicContact CD2-CD1 3.64Å; F806-Y847 AromaticContact CD2-CE1 3.73Å; F806-Y847 HydrophobicContact CD2-CE1 3.73Å; F806-Y847 HydrophobicContact CE1-CD1 4.19Å; F806-Y847 AromaticContact CE2-CD1 3.11Å; F806-Y847 HydrophobicContact CE2-CD1 3.11Å; F806-Y847 AromaticContact CE2-CE1 3.09Å; F806-Y847 HydrophobicContact CE2-CE1 3.09Å; F806-Y847 HydrophobicContact CE2-CG 4.38Å; F806-Y847 HydrophobicContact CG-CD1 4.41Å; F806-Y847 AromaticContact CZ-CD1 3.38Å; F806-Y847 HydrophobicContact CZ-CD1 3.38Å; F806-Y847 AromaticContact CZ-CE1 3.74Å; F806-Y847 HydrophobicContact CZ-CE1 3.74Å; F806-Y847 HydrophobicContact CZ-CG 4.36Å; N844-Y847 HydrophobicContact CB-CD2 3.77Å; N844-Y847 HydrophobicContact CB-CE2 4Å; N844-Y847 VanDerWaalsContact ND2-CE2 3.32Å; N844-Y847 WeakPolarHBondContact ND2-CE2 3.46Å; N844-Y847 PolarHBondContact O-N 3.4Å; P845-Y847 VanDerWaalsContact C-N 3.26Å; P845-Y847 PolarHBondContact O-N 3.09Å
848P78.6Confident84.5Confident66 Ų6664.8 Ų64.843%0.42936%0.361SS..THydrogen-bonded Turntrans-68.1159.2-177.229.8-35.1000111.8Q805 F806 V809 S846 K850Q805-P848 PolarHBondContact NE2-O 3.37Å; F806-P848 HydrophobicContact CE1-CG 4.31Å; V809-P848 HydrophobicContact CG1-CG 4.37Å; S846-P848 WeakPolarHBondContact O-CD 3.35Å; P848-K850 PolarHBondContact O-N 3.19Å; P848-K850 VanDerWaalsContact O-N 3.16Å
849A84.3Confident84.5Confident25 Ų2569.8 Ų69.821%0.20737%0.372CS..THydrogen-bonded Turntrans59.820.617600000116.5W808 V809 M813 G851 Q852 A853W808-A849 HydrophobicContact CZ3-CB 4.5Å; V809-A849 HydrophobicContact CG2-CB 3.77Å; M813-A849 HydrophobicContact CE-CB 4.18Å; M813-A849 HydrophobicContact SD-CB 4.36Å; A849-G851 VanDerWaalsContact C-N 3.27Å; A849-G851 PolarHBondContact O-N 3.34Å; A849-Q852 PolarHBondContact O-N 3.1Å; A849-Q852 VanDerWaalsContact O-N 3.11Å; A849-Q852 PolarHBondContact O-OE1 2.94Å; A849-A853 PolarHBondContact O-N 3.38Å
850K88.6Confident84.4Confident31 Ų3170.5 Ų70.514%0.13538%0.375CS..Hα-helixtrans-55.4-39.6177.4-175.3164.6-171.9145.70113.3W839 E842 P848 Q852 A853 L854W839-K850 VanDerWaalsContact O-CE 3.24Å; W839-K850 WeakPolarHBondContact O-CE 3.47Å; W839-K850 PolarHBondContact O-NZ 2.91Å; E842-K850 WeakPolarHBondContact O-CE 3.37Å; E842-K850 PolarHBondContact O-NZ 3.32Å; E842-K850 IonicContact OE1-NZ 3.16Å; P848-K850 PolarHBondContact O-N 3.19Å; P848-K850 VanDerWaalsContact O-N 3.16Å; K850-Q852 VanDerWaalsContact C-N 3.34Å; K850-Q852 PolarHBondContact O-N 3.44Å; K850-A853 PolarHBondContact O-N 2.99Å; K850-L854 WeakPolarHBondContact O-CB 3.4Å; K850-L854 PolarHBondContact O-N 3.38Å
851G87Confident84.5Confident52 Ų5268.2 Ų68.254%0.53637%0.365SS..Hα-helixtrans-64.4-37178.500000113.3A849 F855A849-G851 VanDerWaalsContact C-N 3.27Å; A849-G851 PolarHBondContact O-N 3.34Å; G851-F855 PolarHBondContact O-N 3.45Å
852Q89.3Confident84.5Confident108 Ų10863.6 Ų63.651%0.50535%0.347SS..Hα-helixtrans-73.7-41.4176.6-66.481-3.900111.3W808 M813 A849 K850 L854 F855 E856W808-Q852 HydrophobicContact CH2-CB 4.26Å; M813-Q852 HydrophobicContact CE-CB 3.42Å; M813-Q852 VanDerWaalsContact CE-CB 3.42Å; M813-Q852 HydrophobicContact CE-CG 3.85Å; A849-Q852 PolarHBondContact O-N 3.1Å; A849-Q852 VanDerWaalsContact O-N 3.11Å; A849-Q852 PolarHBondContact O-OE1 2.94Å; K850-Q852 VanDerWaalsContact C-N 3.34Å; K850-Q852 PolarHBondContact O-N 3.44Å; Q852-L854 VanDerWaalsContact C-N 3.33Å; Q852-F855 PolarHBondContact O-N 3.46Å; Q852-E856 PolarHBondContact O-N 3.44Å
853A89Confident84.7Confident0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-56.1-50.117200000110.3W808 L818 W839 A849 K850 F855 E856 V857W808-A853 HydrophobicContact CE3-CB 4.47Å; W808-A853 HydrophobicContact CZ3-CB 3.93Å; L818-A853 HydrophobicContact CD2-CB 3.58Å; W839-A853 HydrophobicContact CH2-CB 4.04Å; W839-A853 HydrophobicContact CZ2-CB 4.24Å; A849-A853 PolarHBondContact O-N 3.38Å; K850-A853 PolarHBondContact O-N 2.99Å; A853-F855 PolarHBondContact O-N 3.49Å; A853-E856 WeakPolarHBondContact O-CB 3.47Å; A853-E856 PolarHBondContact O-N 3.2Å; A853-E856 VanDerWaalsContact O-N 3.08Å; A853-V857 WeakPolarHBondContact O-CG2 3.24Å; A853-V857 PolarHBondContact O-N 3.44Å; A853-V857 VanDerWaalsContact O-N 3.16Å
854L88.8Confident85.1Confident50 Ų5061.4 Ų61.426%0.26232%0.322SS..Hα-helixtrans-58.3-45.4176.3-173.861.9000111K840 K850 Q852 E856 V857 N858 L861K840-L854 HydrophobicContact CG-CD1 4Å; K850-L854 WeakPolarHBondContact O-CB 3.4Å; K850-L854 PolarHBondContact O-N 3.38Å; Q852-L854 VanDerWaalsContact C-N 3.33Å; L854-E856 PolarHBondContact O-N 2.8Å; L854-E856 VanDerWaalsContact O-N 3.14Å; L854-V857 PolarHBondContact O-N 2.98Å; L854-N858 HydrophobicContact CD1-CB 3.96Å; L854-N858 HydrophobicContact CG-CB 4.11Å; L854-N858 WeakPolarHBondContact O-CA 3.39Å; L854-N858 WeakPolarHBondContact O-CB 3.28Å; L854-N858 PolarHBondContact O-N 3.19Å; L854-L861 HydrophobicContact CD1-CD1 3.87Å
855F88.6Confident85.4Confident187 Ų18762.6 Ų62.682%0.8233%0.326SS*.Hα-helixtrans-57.6-32.4177.8-172.4-97.5000113.7G851 Q852 A853G851-F855 PolarHBondContact O-N 3.45Å; Q852-F855 PolarHBondContact O-N 3.46Å; A853-F855 PolarHBondContact O-N 3.49Å
856E87.8Confident85.7Confident46 Ų4659.2 Ų59.222%0.21530%0.303CS..Hα-helixtrans-73.4-43.1177.1-170.7174.1142.600112.6W808 G816 F817 L818 F819 Q852 A853 L854W808-E856 WeakPolarHBondContact CZ2-OE2 3.24Å; G816-E856 WeakPolarHBondContact CA-OE1 3.11Å; G816-E856 VanDerWaalsContact N-CD 3.32Å; G816-E856 PolarHBondContact N-OE1 2.89Å; G816-E856 PolarHBondContact N-OE2 3.39Å; F817-E856 PolarHBondContact N-OE1 2.88Å; L818-E856 WeakPolarHBondContact CB-OE1 3.17Å; L818-E856 PolarHBondContact N-OE1 3.48Å; F819-E856 HydrophobicContact CB-CG 4.17Å; F819-E856 PolarHBondContact N-OE1 3.09Å; Q852-E856 PolarHBondContact O-N 3.44Å; A853-E856 WeakPolarHBondContact O-CB 3.47Å; A853-E856 PolarHBondContact O-N 3.2Å; A853-E856 VanDerWaalsContact O-N 3.08Å; L854-E856 PolarHBondContact O-N 2.8Å; L854-E856 VanDerWaalsContact O-N 3.14Å
857V90.1Very high85.4Confident0 Ų056.9 Ų56.90%029%0.289CS..Hα-helixtrans-100.6-15-172.1-56.30000114.7L818 F819 F822 W839 A853 L854 R859 W860 L861L818-V857 HydrophobicContact CD2-CG1 4.18Å; L818-V857 HydrophobicContact CG-CG1 4.08Å; F819-V857 HydrophobicContact CB-CG1 4.47Å; F822-V857 HydrophobicContact CD1-CB 4.08Å; F822-V857 HydrophobicContact CD1-CG1 3.95Å; F822-V857 HydrophobicContact CD1-CG2 4.2Å; F822-V857 HydrophobicContact CD2-CG1 4.36Å; F822-V857 HydrophobicContact CE1-CB 4.29Å; F822-V857 HydrophobicContact CE1-CG1 4.24Å; F822-V857 HydrophobicContact CE1-CG2 3.92Å; F822-V857 HydrophobicContact CG-CG1 4.04Å; W839-V857 HydrophobicContact CH2-CG2 4.09Å; W839-V857 HydrophobicContact CZ3-CG2 3.75Å; A853-V857 WeakPolarHBondContact O-CG2 3.24Å; A853-V857 PolarHBondContact O-N 3.44Å; A853-V857 VanDerWaalsContact O-N 3.16Å; L854-V857 PolarHBondContact O-N 2.98Å; V857-R859 PolarHBondContact O-N 3.12Å; V857-R859 VanDerWaalsContact O-N 3.11Å; V857-W860 PolarHBondContact O-N 3.21Å; V857-L861 HydrophobicContact CG2-CD1 3.7Å; V857-L861 HydrophobicContact CG2-CG 4.2Å; V857-L861 PolarHBondContact O-N 2.99Å
858N89.3Confident84.6Confident59 Ų5958.3 Ų58.332%0.31630%0.297SS..Hα-helixtrans-57.9-35.1-170.4-175.363.3000112.8L854 W860 L861 T862L854-N858 HydrophobicContact CD1-CB 3.96Å; L854-N858 HydrophobicContact CG-CB 4.11Å; L854-N858 WeakPolarHBondContact O-CA 3.39Å; L854-N858 WeakPolarHBondContact O-CB 3.28Å; L854-N858 PolarHBondContact O-N 3.19Å; N858-W860 PolarHBondContact O-N 3.22Å; N858-L861 PolarHBondContact O-N 3.36Å; N858-T862 PolarHBondContact O-N 3.05Å; N858-T862 PolarHBondContact O-OG1 2.81Å
859R89.4Confident83.6Confident156 Ų15661.1 Ų61.159%0.58930%0.304SS*.Hα-helixtrans-60.2-37176.6-177.6174.1-174.7-174.31.6112.5V857 W863V857-R859 PolarHBondContact O-N 3.12Å; V857-R859 VanDerWaalsContact O-N 3.11Å; R859-W863 PolarHBondContact O-N 2.99Å
860W89.5Confident82Confident15 Ų1566.2 Ų66.26%0.05732%0.324CS..Hα-helixtrans-81.5-37.2177.9170.581.5000112.3F819 F822 M823 Y826 F836 V857 N858 T862 W863 L864F819-W860 HydrophobicContact CD2-CB 4.34Å; F819-W860 HydrophobicContact CE2-CB 3.61Å; F819-W860 HydrophobicContact CE2-CG 4.01Å; F822-W860 HydrophobicContact CB-CE3 4.44Å; F822-W860 HydrophobicContact CB-CH2 4.4Å; F822-W860 HydrophobicContact CB-CZ3 4.02Å; F822-W860 HydrophobicContact CD1-CE3 4.28Å; F822-W860 AromaticContact CD1-CZ3 3.77Å; F822-W860 HydrophobicContact CD1-CZ3 3.77Å; F822-W860 HydrophobicContact CG-CZ3 4.4Å; M823-W860 HydrophobicContact CE-CB 4.22Å; M823-W860 HydrophobicContact CE-CD2 3.1Å; M823-W860 HydrophobicContact CE-CE3 3.72Å; M823-W860 HydrophobicContact CE-CG 3.33Å; M823-W860 HydrophobicContact CE-CH2 4.03Å; M823-W860 HydrophobicContact CE-CZ2 3.49Å; M823-W860 VanDerWaalsContact CE-CZ2 3.49Å; M823-W860 HydrophobicContact CE-CZ3 4.16Å; M823-W860 VanDerWaalsContact SD-CD1 3.57Å; M823-W860 HydrophobicContact SD-CD2 4.29Å; M823-W860 HydrophobicContact SD-CG 4.1Å; M823-W860 HydrophobicContact SD-CZ2 4.42Å; M823-W860 PolarHBondContact SD-NE1 2.68Å; M823-W860 VanDerWaalsContact SD-NE1 3.41Å; Y826-W860 HydrophobicContact CD1-CZ2 4.29Å; Y826-W860 HydrophobicContact CD2-CH2 4.49Å; Y826-W860 HydrophobicContact CD2-CZ2 4.22Å; Y826-W860 HydrophobicContact CG-CH2 4.33Å; Y826-W860 AromaticContact CG-CZ2 3.84Å; Y826-W860 HydrophobicContact CG-CZ2 3.84Å; F836-W860 HydrophobicContact CD1-CH2 4.08Å; F836-W860 AromaticContact CD1-CZ3 3.84Å; F836-W860 HydrophobicContact CD1-CZ3 3.84Å; F836-W860 HydrophobicContact CD2-CH2 4.05Å; F836-W860 HydrophobicContact CD2-CZ3 4.48Å; F836-W860 AromaticContact CE1-CH2 3.93Å; F836-W860 HydrophobicContact CE1-CH2 3.93Å; F836-W860 AromaticContact CE1-CZ3 3.97Å; F836-W860 HydrophobicContact CE1-CZ3 3.97Å; F836-W860 AromaticContact CE2-CH2 3.91Å; F836-W860 HydrophobicContact CE2-CH2 3.91Å; F836-W860 HydrophobicContact CG-CH2 4.13Å; F836-W860 HydrophobicContact CG-CZ3 4.11Å; F836-W860 AromaticContact CZ-CH2 3.85Å; F836-W860 HydrophobicContact CZ-CH2 3.85Å; F836-W860 HydrophobicContact CZ-CZ3 4.37Å; V857-W860 PolarHBondContact O-N 3.21Å; N858-W860 PolarHBondContact O-N 3.22Å; W860-T862 VanDerWaalsContact C-N 3.25Å; W860-T862 PolarHBondContact O-N 2.96Å; W860-W863 AromaticContact CD1-CE3 3.76Å; W860-W863 AromaticContact NE1-CE3 3.68Å; W860-W863 AromaticContact NE1-CZ3 3.8Å; W860-W863 WeakPolarHBondContact O-CA 3.45Å; W860-W863 WeakPolarHBondContact O-CB 3.21Å; W860-W863 PolarHBondContact O-N 3.3Å; W860-L864 HydrophobicContact CD2-CD1 4.04Å; W860-L864 HydrophobicContact CD2-CG 4.26Å; W860-L864 HydrophobicContact CE3-CD1 3.94Å; W860-L864 HydrophobicContact CH2-CD1 3.36Å; W860-L864 HydrophobicContact CH2-CG 4.35Å; W860-L864 HydrophobicContact CZ2-CD1 3.44Å; W860-L864 VanDerWaalsContact CZ2-CD1 3.44Å; W860-L864 HydrophobicContact CZ2-CD2 4.14Å; W860-L864 HydrophobicContact CZ2-CG 3.96Å; W860-L864 HydrophobicContact CZ3-CD1 3.58Å; W860-L864 PolarHBondContact O-N 2.9Å
861L89.2Confident80.3Confident0 Ų069.1 Ų69.10%034%0.341CS..Hα-helixtrans-58.6-38.9171.8-65.6175000111.9F836 W839 K840 L854 V857 N858 W863 L864 E865F836-L861 HydrophobicContact CB-CD2 3.84Å; F836-L861 HydrophobicContact CD1-CD2 4.47Å; F836-L861 HydrophobicContact CG-CD2 4.49Å; W839-L861 HydrophobicContact CE3-CD1 4.37Å; W839-L861 HydrophobicContact CZ3-CD1 4.07Å; K840-L861 HydrophobicContact CB-CD1 4.11Å; K840-L861 HydrophobicContact CD-CB 4.3Å; K840-L861 HydrophobicContact CD-CD1 4.3Å; K840-L861 HydrophobicContact CG-CD1 4.13Å; L854-L861 HydrophobicContact CD1-CD1 3.87Å; V857-L861 HydrophobicContact CG2-CD1 3.7Å; V857-L861 HydrophobicContact CG2-CG 4.2Å; V857-L861 PolarHBondContact O-N 2.99Å; N858-L861 PolarHBondContact O-N 3.36Å; L861-W863 VanDerWaalsContact C-N 3.3Å; L861-W863 PolarHBondContact O-N 2.99Å; L861-L864 HydrophobicContact CD2-CD1 4.5Å; L861-L864 PolarHBondContact O-N 3.07Å; L861-E865 WeakPolarHBondContact O-CB 3.19Å; L861-E865 PolarHBondContact O-N 3.45Å; L861-E865 VanDerWaalsContact O-N 3.09Å
862T86Confident78.8Confident57 Ų5769.8 Ų69.835%0.3533%0.33SS..Hα-helixtrans-65.2-34172.7-56.90000112.3N858 W860 T866N858-T862 PolarHBondContact O-N 3.05Å; N858-T862 PolarHBondContact O-OG1 2.81Å; W860-T862 VanDerWaalsContact C-N 3.25Å; W860-T862 PolarHBondContact O-N 2.96Å; T862-T866 HydrophobicContact CG2-CG2 4.47Å; T862-T866 WeakPolarHBondContact O-CG2 3.42Å; T862-T866 PolarHBondContact O-N 3.28Å; T862-T866 PolarHBondContact O-OG1 2.79Å
863W87.9Confident76.9Confident133 Ų13369.5 Ų69.550%0.50433%0.329SS..Hα-helixtrans-68.5-41.6177.1171.174.2000111.8R859 W860 L861 T866 A867R859-W863 PolarHBondContact O-N 2.99Å; W860-W863 AromaticContact CD1-CE3 3.76Å; W860-W863 AromaticContact NE1-CE3 3.68Å; W860-W863 AromaticContact NE1-CZ3 3.8Å; W860-W863 WeakPolarHBondContact O-CA 3.45Å; W860-W863 WeakPolarHBondContact O-CB 3.21Å; W860-W863 PolarHBondContact O-N 3.3Å; L861-W863 VanDerWaalsContact C-N 3.3Å; L861-W863 PolarHBondContact O-N 2.99Å; W863-T866 WeakPolarHBondContact CA-OG1 3.3Å; W863-T866 PolarHBondContact O-N 2.91Å; W863-T866 PolarHBondContact O-OG1 3.31Å; W863-A867 WeakPolarHBondContact O-CB 3.5Å; W863-A867 PolarHBondContact O-N 3.45Å
864L84Confident75.3Confident1 Ų173.8 Ų73.81%0.00535%0.352CS..Hα-helixtrans-56.1-56.6172-75.1178.6000110.5Y826 E833 W860 L861 T866 A867 E868Y826-L864 HydrophobicContact CD2-CD2 4.27Å; Y826-L864 HydrophobicContact CE1-CD2 4.46Å; Y826-L864 HydrophobicContact CE2-CD2 3.7Å; E833-L864 HydrophobicContact CG-CB 4.43Å; E833-L864 WeakPolarHBondContact OE1-CB 3.49Å; W860-L864 HydrophobicContact CD2-CD1 4.04Å; W860-L864 HydrophobicContact CD2-CG 4.26Å; W860-L864 HydrophobicContact CE3-CD1 3.94Å; W860-L864 HydrophobicContact CH2-CD1 3.36Å; W860-L864 HydrophobicContact CH2-CG 4.35Å; W860-L864 HydrophobicContact CZ2-CD1 3.44Å; W860-L864 VanDerWaalsContact CZ2-CD1 3.44Å; W860-L864 HydrophobicContact CZ2-CD2 4.14Å; W860-L864 HydrophobicContact CZ2-CG 3.96Å; W860-L864 HydrophobicContact CZ3-CD1 3.58Å; W860-L864 PolarHBondContact O-N 2.9Å; L861-L864 HydrophobicContact CD2-CD1 4.5Å; L861-L864 PolarHBondContact O-N 3.07Å; L864-T866 VanDerWaalsContact C-N 3.3Å; L864-T866 PolarHBondContact O-N 3.43Å; L864-A867 WeakPolarHBondContact O-CB 3.44Å; L864-A867 PolarHBondContact O-N 2.89Å; L864-E868 PolarHBondContact O-N 3.07Å
865E81.6Confident73.7Confident80 Ų8077.6 Ų77.637%0.37436%0.363SS..Hα-helixtrans-54.3-41.2-179.9-176.3176.9-154.100113.3L837 K840 L861 E869L837-E865 HydrophobicContact CD2-CB 4.23Å; K840-E865 IonicContact NZ-OE1 3.29Å; K840-E865 IonicContact NZ-OE2 3.03Å; K840-E865 PolarHBondContact NZ-OE2 2.88Å; L861-E865 WeakPolarHBondContact O-CB 3.19Å; L861-E865 PolarHBondContact O-N 3.45Å; L861-E865 VanDerWaalsContact O-N 3.09Å; E865-E869 PolarHBondContact O-N 3.4Å
866T78.2Confident72Confident57 Ų5777.2 Ų77.235%0.3536%0.356SS..Hα-helixtrans-72.9-28.6177.151.80000113.8T862 W863 L864 E870T862-T866 HydrophobicContact CG2-CG2 4.47Å; T862-T866 WeakPolarHBondContact O-CG2 3.42Å; T862-T866 PolarHBondContact O-N 3.28Å; T862-T866 PolarHBondContact O-OG1 2.79Å; W863-T866 WeakPolarHBondContact CA-OG1 3.3Å; W863-T866 PolarHBondContact O-N 2.91Å; W863-T866 PolarHBondContact O-OG1 3.31Å; L864-T866 VanDerWaalsContact C-N 3.3Å; L864-T866 PolarHBondContact O-N 3.43Å; T866-E870 WeakPolarHBondContact O-CG 3.45Å; T866-E870 PolarHBondContact O-N 2.97Å
867A67.5Low70.5Confident31 Ų3180.3 Ų80.326%0.25637%0.368SS..Hα-helixtrans-69.6-39.8179.200000110.8W863 L864 D871W863-A867 WeakPolarHBondContact O-CB 3.5Å; W863-A867 PolarHBondContact O-N 3.45Å; L864-A867 WeakPolarHBondContact O-CB 3.44Å; L864-A867 PolarHBondContact O-N 2.89Å; A867-D871 PolarHBondContact O-N 2.95Å
868E62.5Low68.9Low70 Ų7083 Ų8333%0.32739%0.387SS..Hα-helixtrans-70.7-39176.4-170.7179-150.200112.8L864 E870 D871 E872L864-E868 PolarHBondContact O-N 3.07Å; E868-E870 VanDerWaalsContact C-N 3.25Å; E868-E870 PolarHBondContact O-N 2.7Å; E868-D871 PolarHBondContact O-N 3.45Å; E868-D871 VanDerWaalsContact O-N 3.16Å; E868-E872 HydrophobicContact CG-CG 4.35Å; E868-E872 PolarHBondContact O-N 3.34Å
869E56.2Low67.4Low126 Ų12684.7 Ų84.759%0.58940%0.396SS*.Hα-helixtrans-60.8-36.3177.3-167.5171.1-150.500111.5E865 E873E865-E869 PolarHBondContact O-N 3.4Å; E869-E873 WeakPolarHBondContact O-CB 3.17Å; E869-E873 VanDerWaalsContact O-CG 3.31Å; E869-E873 WeakPolarHBondContact O-CG 3.4Å; E869-E873 PolarHBondContact O-N 2.95Å
870E52.5Low66Low131 Ų13179.4 Ų79.461%0.61239%0.386SS*.Hα-helixtrans-66.2-44.2173.4-71.9179.6-176.500112.2T866 E868 E873 D874T866-E870 WeakPolarHBondContact O-CG 3.45Å; T866-E870 PolarHBondContact O-N 2.97Å; E868-E870 VanDerWaalsContact C-N 3.25Å; E868-E870 PolarHBondContact O-N 2.7Å; E870-E873 PolarHBondContact O-N 3.41Å; E870-D874 PolarHBondContact O-N 3Å
871D51.9Low64.4Low92 Ų9283.8 Ų83.849%0.49241%0.41SS..Hα-helixtrans-65.2-40178.8-75.1-29.7000112.6A867 E868 D874 R875A867-D871 PolarHBondContact O-N 2.95Å; E868-D871 PolarHBondContact O-N 3.45Å; E868-D871 VanDerWaalsContact O-N 3.16Å; D871-D874 PolarHBondContact O-N 2.94Å; D871-R875 PolarHBondContact O-N 3.33Å
872E54.9Low62.9Low67 Ų6790 Ų9031%0.31344%0.439SS..Hα-helixtrans-71.2-37.8176.5-74.8-59.4131.700112.2E868 D874 R875 R876E868-E872 HydrophobicContact CG-CG 4.35Å; E868-E872 PolarHBondContact O-N 3.34Å; E872-D874 VanDerWaalsContact C-N 3.33Å; E872-R875 PolarHBondContact O-N 3.49Å; E872-R875 IonicContact OE1-CZ 2.81Å; E872-R875 IonicContact OE1-NE 3.73Å; E872-R875 PolarHBondContact OE1-NE 3.04Å; E872-R875 IonicContact OE1-NH2 3.3Å; E872-R875 PolarHBondContact OE1-NH2 3.15Å; E872-R876 WeakPolarHBondContact O-CG 3.42Å; E872-R876 PolarHBondContact O-N 3.32Å
873E50Low61.4Low101 Ų10192.2 Ų92.247%0.47245%0.449SS..Hα-helixtrans-62.3-40.4172.1-82.2-171.3179.300112.1E869 E870 R876 K877E869-E873 WeakPolarHBondContact O-CB 3.17Å; E869-E873 VanDerWaalsContact O-CG 3.31Å; E869-E873 WeakPolarHBondContact O-CG 3.4Å; E869-E873 PolarHBondContact O-N 2.95Å; E870-E873 PolarHBondContact O-N 3.41Å; E873-R876 PolarHBondContact O-N 3.49Å; E873-K877 WeakPolarHBondContact O-CG 3.42Å; E873-K877 PolarHBondContact O-N 3Å
874D54.8Low59.7Low91 Ų9191.8 Ų91.849%0.48745%0.453SS..Hα-helixtrans-72.8-35179.3-76.8-15.4000112.5E870 D871 E872 K877 S878E870-D874 PolarHBondContact O-N 3Å; D871-D874 PolarHBondContact O-N 2.94Å; E872-D874 VanDerWaalsContact C-N 3.33Å; D874-K877 PolarHBondContact O-N 3.49Å; D874-K877 IonicContact OD1-NZ 3.29Å; D874-K877 PolarHBondContact OD1-NZ 2.92Å; D874-S878 PolarHBondContact O-N 3.07Å
875R55.5Low58.3Low130 Ų13094.2 Ų94.249%0.49147%0.473SS..Hα-helixtrans-62.5-42.6168.5-79.7-164.2-90.1-89.54.9112.4D871 E872 K877 S878 D879D871-R875 PolarHBondContact O-N 3.33Å; E872-R875 PolarHBondContact O-N 3.49Å; E872-R875 IonicContact OE1-CZ 2.81Å; E872-R875 IonicContact OE1-NE 3.73Å; E872-R875 PolarHBondContact OE1-NE 3.04Å; E872-R875 IonicContact OE1-NH2 3.3Å; E872-R875 PolarHBondContact OE1-NH2 3.15Å; R875-K877 VanDerWaalsContact C-N 3.3Å; R875-K877 PolarHBondContact O-N 2.97Å; R875-S878 WeakPolarHBondContact CA-OG 3.33Å; R875-S878 PolarHBondContact O-N 3.49Å; R875-S878 VanDerWaalsContact O-N 3.13Å; R875-S878 PolarHBondContact O-OG 2.96Å; R875-D879 PolarHBondContact O-N 2.8Å
876R53.9Low56.9Low179 Ų17997.4 Ų97.468%0.67549%0.485SS*.Hα-helixtrans-65.2-33.7175.3-71.2-178.4-161.8-178.79.8112.6E872 E873 A880E872-R876 WeakPolarHBondContact O-CG 3.42Å; E872-R876 PolarHBondContact O-N 3.32Å; E873-R876 PolarHBondContact O-N 3.49Å; R876-A880 VanDerWaalsContact O-CB 3.27Å; R876-A880 WeakPolarHBondContact O-CB 3.39Å; R876-A880 PolarHBondContact O-N 3.07Å
877K55.9Low55.7Low110 Ų110100.5 Ų100.548%0.47850%0.499SS..Hα-helixtrans-67-37.9171.9-72.8174.5-154.7142.80111.6E873 D874 R875 N881E873-K877 WeakPolarHBondContact O-CG 3.42Å; E873-K877 PolarHBondContact O-N 3Å; D874-K877 PolarHBondContact O-N 3.49Å; D874-K877 IonicContact OD1-NZ 3.29Å; D874-K877 PolarHBondContact OD1-NZ 2.92Å; R875-K877 VanDerWaalsContact C-N 3.3Å; R875-K877 PolarHBondContact O-N 2.97Å; K877-N881 WeakPolarHBondContact O-CB 3.36Å; K877-N881 PolarHBondContact O-N 3.25Å; K877-N881 VanDerWaalsContact O-N 3.11Å; K877-N881 PolarHBondContact O-ND2 3.16Å; K877-N881 VanDerWaalsContact O-ND2 3.09Å
878S57.2Low55Low56 Ų56104 Ų10439%0.39252%0.516SS..Hα-helixtrans-68.1-42.5175.760.60000112.4D874 R875 N881 E882D874-S878 PolarHBondContact O-N 3.07Å; R875-S878 WeakPolarHBondContact CA-OG 3.33Å; R875-S878 PolarHBondContact O-N 3.49Å; R875-S878 VanDerWaalsContact O-N 3.13Å; R875-S878 PolarHBondContact O-OG 2.96Å; S878-N881 WeakPolarHBondContact O-CB 3.41Å; S878-N881 PolarHBondContact O-N 3.45Å; S878-N881 VanDerWaalsContact O-N 3.12Å; S878-E882 PolarHBondContact O-N 2.93Å
879D57.6Low54.4Low96 Ų96108.4 Ų108.451%0.51354%0.537SS..Hα-helixtrans-67-41.4179.6-68.9-11.8000111.5R875 N881 E882 D883R875-D879 PolarHBondContact O-N 2.8Å; D879-N881 PolarHBondContact O-N 3.44Å; D879-E882 PolarHBondContact O-N 3.42Å; D879-D883 PolarHBondContact O-N 3.19Å
880A59.2Low53.6Low44 Ų44111.2 Ų111.236%0.36455%0.55SS.*Hα-helixtrans-60.1-37172.500000111.7R876 H884R876-A880 VanDerWaalsContact O-CB 3.27Å; R876-A880 WeakPolarHBondContact O-CB 3.39Å; R876-A880 PolarHBondContact O-N 3.07Å; A880-H884 WeakPolarHBondContact O-CB 3.2Å; A880-H884 PolarHBondContact O-CD2 3.1Å; A880-H884 VanDerWaalsContact O-CG 3.26Å; A880-H884 PolarHBondContact O-N 2.89Å
881N56.4Low52.9Low107 Ų107109.2 Ų109.257%0.57255%0.551SS**Hα-helixtrans-72-34176.9-70.3-22.9000112.8K877 S878 D879 H884 A885K877-N881 WeakPolarHBondContact O-CB 3.36Å; K877-N881 PolarHBondContact O-N 3.25Å; K877-N881 VanDerWaalsContact O-N 3.11Å; K877-N881 PolarHBondContact O-ND2 3.16Å; K877-N881 VanDerWaalsContact O-ND2 3.09Å; S878-N881 WeakPolarHBondContact O-CB 3.41Å; S878-N881 PolarHBondContact O-N 3.45Å; S878-N881 VanDerWaalsContact O-N 3.12Å; D879-N881 PolarHBondContact O-N 3.44Å; N881-H884 PolarHBondContact O-N 2.88Å; N881-A885 WeakPolarHBondContact O-CB 3.46Å; N881-A885 PolarHBondContact O-N 3.29Å
882E56.6Low52.2Low130 Ų130110.5 Ų110.561%0.60757%0.567SS**Hα-helixtrans-70-40.6174.1-83.3-158.2167.400112.5S878 D879 H884 A885 K886S878-E882 PolarHBondContact O-N 2.93Å; D879-E882 PolarHBondContact O-N 3.42Å; E882-H884 VanDerWaalsContact C-N 3.28Å; E882-H884 PolarHBondContact O-N 3.24Å; E882-A885 WeakPolarHBondContact O-CB 3.42Å; E882-A885 PolarHBondContact O-N 3.44Å; E882-K886 PolarHBondContact O-N 3.05Å
883D55.5Low51.1Low105 Ų105113 Ų11356%0.56159%0.586SS**Hα-helixtrans-64.1-37.6174.1-80.8-16.2000111D879 A885 K886 I887D879-D883 PolarHBondContact O-N 3.19Å; D883-A885 VanDerWaalsContact C-N 3.34Å; D883-K886 PolarHBondContact O-N 2.99Å; D883-I887 WeakPolarHBondContact O-CB 3.21Å; D883-I887 WeakPolarHBondContact O-CD1 3.49Å; D883-I887 VanDerWaalsContact O-CG1 3.27Å; D883-I887 WeakPolarHBondContact O-CG1 3.49Å; D883-I887 PolarHBondContact O-N 2.76Å
884H51.5Low50.1Low124 Ų124115.1 Ų115.157%0.57460%0.601SS**Hα-helixtrans-64.5-36.8170.5-73.6-44.8000112.6A880 N881 E882 V888A880-H884 WeakPolarHBondContact O-CB 3.2Å; A880-H884 PolarHBondContact O-CD2 3.1Å; A880-H884 VanDerWaalsContact O-CG 3.26Å; A880-H884 PolarHBondContact O-N 2.89Å; N881-H884 PolarHBondContact O-N 2.88Å; E882-H884 VanDerWaalsContact C-N 3.28Å; E882-H884 PolarHBondContact O-N 3.24Å; H884-V888 VanDerWaalsContact O-CG2 3.23Å; H884-V888 WeakPolarHBondContact O-CG2 3.49Å; H884-V888 PolarHBondContact O-N 3.33Å
885A54.9Low49.1Very low52 Ų52116.9 Ų116.943%0.4362%0.621SS.*Hα-helixtrans-68.4-41.7176.600000112.5N881 E882 D883 V888 Q889N881-A885 WeakPolarHBondContact O-CB 3.46Å; N881-A885 PolarHBondContact O-N 3.29Å; E882-A885 WeakPolarHBondContact O-CB 3.42Å; E882-A885 PolarHBondContact O-N 3.44Å; D883-A885 VanDerWaalsContact C-N 3.34Å; A885-V888 PolarHBondContact O-N 3.23Å; A885-Q889 PolarHBondContact O-N 3.04Å
886K52.8Low47.8Very low146 Ų146119.5 Ų119.564%0.63564%0.638SS**Hα-helixtrans-66.7-39.6177-90.6179.4179.8166.50112.9E882 D883 V888 Q889E882-K886 PolarHBondContact O-N 3.05Å; D883-K886 PolarHBondContact O-N 2.99Å; K886-V888 PolarHBondContact O-N 3.31Å; K886-Q889 PolarHBondContact O-N 3.46Å
887I53Low46.5Very low123 Ų123118.2 Ų118.263%0.63165%0.645SS**Hα-helixtrans-65.2-30.7176.8-69166.9000111.3D883D883-I887 WeakPolarHBondContact O-CB 3.21Å; D883-I887 WeakPolarHBondContact O-CD1 3.49Å; D883-I887 VanDerWaalsContact O-CG1 3.27Å; D883-I887 WeakPolarHBondContact O-CG1 3.49Å; D883-I887 PolarHBondContact O-N 2.76Å
888V51.4Low45.4Very low104 Ų104119 Ų11963%0.6366%0.664SS**Hα-helixtrans-74.9-32.8177.6174.10000111.8H884 A885 K886 S891H884-V888 VanDerWaalsContact O-CG2 3.23Å; H884-V888 WeakPolarHBondContact O-CG2 3.49Å; H884-V888 PolarHBondContact O-N 3.33Å; A885-V888 PolarHBondContact O-N 3.23Å; K886-V888 PolarHBondContact O-N 3.31Å; V888-S891 PolarHBondContact O-OG 2.85Å
889Q49.9Very low43.8Very low162 Ų162125.1 Ų125.176%0.75769%0.686SS**Hα-helixtrans-74.4-24.4-175.9-101.7173.2-34.900115.5A885 K886 S891A885-Q889 PolarHBondContact O-N 3.04Å; K886-Q889 PolarHBondContact O-N 3.46Å; Q889-S891 VanDerWaalsContact C-N 3.29Å; Q889-S891 PolarHBondContact O-N 3.42Å
890E40.8Very low42.6Very low186 Ų186125.2 Ų125.287%0.86970%0.701SS**THydrogen-bonded Turntrans-820.8177.9-83.3-171.9165.800114.6
891S37.4Very low41.1Very low89 Ų89128.5 Ų128.562%0.62272%0.721SS**THydrogen-bonded Turntrans-110.614.7-172.369.70000116.9V888 Q889V888-S891 PolarHBondContact O-OG 2.85Å; Q889-S891 VanDerWaalsContact C-N 3.29Å; Q889-S891 PolarHBondContact O-N 3.42Å
892S36.2Very low39.8Very low118 Ų118133.6 Ų133.683%0.82574%0.738SS**  trans-132.684.7170.9-94.30000112.2
893V32.4Very low38.4Very low119 Ų119132.7 Ų132.772%0.72175%0.746SS**  trans-107.6143.1159-171.10000105.8
894D29Very low37.4Very low146 Ų146132.9 Ų132.978%0.78175%0.753SS**  trans84.888.7173.8-51.3-35.2000117.7
895S34.2Very low36.4Very low129 Ų129135.5 Ų135.590%0.90277%0.771SS**  trans-162.9132.6130-80.90000110.9
896E29Very low35.1Very low185 Ų185140.6 Ų140.686%0.86479%0.786SS**  trans-86156.4-157.6-58.5171.9129.400114.4
897N24.9Very low33.9Very low152 Ų152143.3 Ų143.381%0.81380%0.798SS**  trans30.7111.7141.7-76-10.3000119.7
898S33.2Very low32.8Very low125 Ų125141.9 Ų141.987%0.87480%0.795SS**  trans-142.6115.3131.549.90000110.7
899E24.9Very low31.6Very low186 Ų186144.7 Ų144.787%0.86981%0.807SS**  trans-65.5137.9169.7-71.7163.4114.300111.1
900A31.1Very low30.8Very low98 Ų98145 Ų14581%0.8181%0.811SS**  trans-163.3106.9140.700000110.8
901S27.1Very low30.2Very low113 Ų113144.2 Ų144.279%0.7981%0.808SS**  trans-39.5133166.353.70000116.5
902K30.3Very low29.6Very low214 Ų214144.3 Ų144.393%0.9381%0.808SS**  trans-156.9109.1135.6-114.9173.7-175.7177.90110.4
903S26.9Very low29.5Very low111 Ų111147.3 Ų147.378%0.77681%0.809SS**  trans-90.3-175.9173.952.80000110.4
904P35.1Very low29.4Very low109 Ų109148.9 Ų148.971%0.70881%0.812SS**  -125.9143.2-76.134.4-18.6000111.5
905N31Very low29.3Very low178 Ų178150.5 Ų150.595%0.95282%0.817SS**  trans-104.8102.5166.8-91.7-13.8000110.6
906H26.5Very low29.2Very low159 Ų159149.5 Ų149.574%0.73681%0.807SS**  trans-52.1118.6164.9-170.72.5000111T908H906-T908 VanDerWaalsContact CE1-CG2 3.46Å; H906-T908 WeakPolarHBondContact CE1-CG2 3.3Å
907F27.6Very low29.5Very low204 Ų204146.4 Ų146.490%0.89580%0.803SS**  trans-138.8128.8152.1-134.7-92.8000108.7
908T30.2Very low29.7Very low92 Ų92143.7 Ų143.756%0.56480%0.802SS**  trans-77.5142.1-161.341.40000113.5H906H906-T908 VanDerWaalsContact CE1-CG2 3.46Å; H906-T908 WeakPolarHBondContact CE1-CG2 3.3Å
909D25.9Very low29.6Very low164 Ų164146 Ų14688%0.87780%0.803SS**  trans-47.4134.5163.4-64.3-57.5000112.6
910I33.3Very low29.9Very low167 Ų167145.5 Ų145.586%0.85680%0.801SS**  trans-115.6123156.9-67.9177.8000107.4
911E27.2Very low29.8Very low170 Ų170146 Ų14679%0.79480%0.796SS**  trans-55.9143.7-177.5-85.3167.3128.700116.2
912S26.5Very low29.9Very low91 Ų91148.4 Ų148.464%0.63680%0.8SS**  trans54.5105.6132.476.80000119.8
913H32.9Very low29.9Very low182 Ų182143.9 Ų143.984%0.84380%0.795SS**  trans-130.290.5141.8-85.1-66.7000110.2
914I30.3Very low30Very low151 Ų151143.1 Ų143.177%0.77480%0.795SS**  trans3693.4134-52.1170.4000115.4
915M28.1Very low29.9Very low180 Ų180144.3 Ų144.389%0.88780%0.801SS**PPolyproline II helixtrans-82.4131.9157.3-91.3-110.9153.600109.7
916P31.7Very low30Very low108 Ų108143.9 Ų143.970%0.70180%0.797SS**PPolyproline II helixtrans-73.8141.7174.429.6-30.8000110.7
917P34Very low29.9Very low120 Ų120148.2 Ų148.278%0.77981%0.807SS**PPolyproline II helixtrans-81.8136.2-169.332.2-33.2000112.3L919P917-L919 PolarHBondContact O-N 3.39Å
918A30.5Very low30.1Very low95 Ų95147.4 Ų147.479%0.78583%0.827SS**PPolyproline II helixtrans-59.8123.2169.400000110.9H920A918-H920 PolarHBondContact O-N 3.49Å
919L29.6Very low30.1Very low173 Ų173150.2 Ų150.291%0.90684%0.84SS**  trans-67.1109.5172.5-88.7134000109.8P917P917-L919 PolarHBondContact O-N 3.39Å
920H31.6Very low30.4Very low176 Ų176149.5 Ų149.582%0.81584%0.838SS**  trans-71.6133.8168.7-106.8-72.6000110.8A918A918-H920 PolarHBondContact O-N 3.49Å
921P29.3Very low30.2Very low109 Ų109148.5 Ų148.571%0.70884%0.837SS**  trans-89.1115.4172.732.8-27.3000109.4
922N28.9Very low30.4Very low164 Ų164147.2 Ų147.288%0.87784%0.84SS**  trans-167.990.5164.1-97.3-22.9000110.8
923S31.6Very low30.6Very low119 Ų119150.8 Ų150.883%0.83285%0.853SS**  trans-156.589.6147.969.30000110
924A29.1Very low30.5Very low94 Ų94148.7 Ų148.778%0.77785%0.853SS**  trans-67.5161.3150.700000109
925V32.1Very low30.5Very low135 Ų135148.5 Ų148.582%0.81886%0.859SS**  trans97.498.2175.6-169.40000114
926L32.4Very low30.7Very low169 Ų169146.1 Ų146.189%0.88586%0.857SS**  -156.4101.9126.7-97.9166.2000108
927R25Very low30.6Very low249 Ų249149.3 Ų149.394%0.9487%0.87SS**  trans-73.7121.4160.4-85.7177.7170.7171.5-3.6107.6
928S32.8Very low30.3Very low188 Ų188151.9 Ų151.9100%1.31588%0.878SS**  trans-159.80142.965.90000108.8

Retrieved 928 of 928 residues in 490.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).