A0A061ACL9_CAEEL Loading...

ATP-dependent rRNA helicase SPB4-like C-terminal extension domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACL9, Species CAEEL (Caenorhabditis elegans), Gene ddx-10, Length 317 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.5Very low78.6Confident210 Ų210128.6 Ų128.6100%1.03474%0.743SS**  0126.40-73.4174.2166.300105.2D3M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.08Å
2D49Very low79.4Confident162 Ų162120.8 Ų120.887%0.86670%0.701SS**  trans-80.683.8175.6-55.9-67.7000106.9S4D2-S4 PolarHBondContact O-N 2.81Å
3D70.4Confident80.1Confident142 Ų142120.5 Ų120.576%0.75971%0.706SS**  trans-72.879.7-176.4-70.5-15.4000109.8M1 G5M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.26Å; M1-D3 VanDerWaalsContact O-N 3.08Å; D3-G5 PolarHBondContact O-N 2.82Å
4S79.3Confident80.6Confident107 Ų107116.9 Ų116.975%0.74869%0.69SS**  trans-66.197.2174.959.40000110.1D2D2-S4 PolarHBondContact O-N 2.81Å
5G85.7Confident81.2Confident74 Ų74109.9 Ų109.976%0.76365%0.648SS**  trans-80.8129.4174.400000112.1D3D3-G5 PolarHBondContact O-N 2.82Å
6N85.6Confident81.6Confident162 Ų162108.6 Ų108.687%0.86663%0.633SS**  trans-98.5136.8171.6-65.3-19.7000110
7S87.3Confident82.1Confident124 Ų124112.5 Ų112.587%0.86764%0.644SS**  trans-106.1145.5169.957.90000110.4
8L90.3Very high82.5Confident119 Ų119108.1 Ų108.162%0.62362%0.624SS**  trans-125.3131.4175.5-177.964.7000109.2M10 L33L8-M10 HydrophobicContact CD2-CE 3.75Å; L8-L33 HydrophobicContact CD1-CD2 4.38Å
9L89.8Confident82.9Confident98 Ų98104 Ų10451%0.51360%0.599SS.*  trans-110.9117.8177.2-178.462.1000108.6V11 M19 L23L9-V11 HydrophobicContact CD1-CG2 4.44Å; L9-V11 HydrophobicContact CD2-CG2 4.11Å; L9-V11 HydrophobicContact CG-CG2 3.7Å; L9-M19 HydrophobicContact CD1-SD 4.24Å; L9-M19 HydrophobicContact CD2-CG 4.47Å; L9-M19 HydrophobicContact CD2-SD 3.8Å; L9-M19 HydrophobicContact CG-SD 4.26Å; L9-L23 HydrophobicContact CD2-CD1 3.88Å
10M89.6Confident83.3Confident162 Ų162102.2 Ų102.280%0.79859%0.586SS**  trans-98.5128173.6-64.4-173.9-17700109.3L8L8-M10 HydrophobicContact CD2-CE 3.75Å
11V89.3Confident83.6Confident55 Ų5598.2 Ų98.233%0.33357%0.568SS.*  trans-132.2145.6-171.8-166.80000108.9L9 Q15 M19L9-V11 HydrophobicContact CD1-CG2 4.44Å; L9-V11 HydrophobicContact CD2-CG2 4.11Å; L9-V11 HydrophobicContact CG-CG2 3.7Å; V11-Q15 HydrophobicContact CG1-CB 3.34Å; V11-M19 HydrophobicContact CG1-CB 4.49Å; V11-M19 HydrophobicContact CG1-CE 4.03Å; V11-M19 HydrophobicContact CG1-SD 3.99Å; V11-M19 HydrophobicContact CG2-SD 3.66Å
12S88Confident85.6Confident34 Ų3491.1 Ų91.124%0.23853%0.531CS..  trans-75.3153.5170.565.50000110.6S14 Q15 E16S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 3.3Å; S12-Q15 PolarHBondContact O-N 3.32Å; S12-Q15 WeakPolarHBondContact OG-CB 3.12Å; S12-Q15 WeakPolarHBondContact OG-CG 3.46Å; S12-Q15 PolarHBondContact OG-N 3.46Å; S12-E16 PolarHBondContact O-N 3.08Å
13P88.1Confident87.5Confident118 Ų11885.1 Ų85.177%0.76650%0.499SS*.THydrogen-bonded Turntrans-55.7-29.5176.9-27.135.4000113.6Q15P13-Q15 VanDerWaalsContact C-N 3.35Å
14S88Confident88.5Confident69 Ų6984.8 Ų84.848%0.48349%0.493SS..THydrogen-bonded Turntrans-73.8-18.917550.50000115S12S12-S14 PolarHBondContact O-N 3.46Å; S12-S14 PolarHBondContact OG-OG 3.3Å
15Q88.7Confident89.1Confident13 Ų1387.6 Ų87.66%0.06149%0.491CS..THydrogen-bonded Turntrans-101-20.9-175.6-79.4171.219.900113.1V11 S12 P13 A18 M19 V80V11-Q15 HydrophobicContact CG1-CB 3.34Å; S12-Q15 PolarHBondContact O-N 3.32Å; S12-Q15 WeakPolarHBondContact OG-CB 3.12Å; S12-Q15 WeakPolarHBondContact OG-CG 3.46Å; S12-Q15 PolarHBondContact OG-N 3.46Å; P13-Q15 VanDerWaalsContact C-N 3.35Å; Q15-A18 PolarHBondContact O-N 2.94Å; Q15-M19 HydrophobicContact CB-CE 4.39Å; Q15-M19 VanDerWaalsContact O-CB 3.24Å; Q15-M19 WeakPolarHBondContact O-CB 2.76Å; Q15-M19 PolarHBondContact O-N 3Å; Q15-V80 HydrophobicContact CB-CG1 4.16Å; Q15-V80 HydrophobicContact CG-CG1 3.86Å; Q15-V80 WeakPolarHBondContact CG-O 3.33Å
16E88.6Confident89.4Confident88 Ų8891 Ų9141%0.41149%0.487SS..Hα-helixtrans-52.9-63.4-170.3-173.1177.1162.400113.1S12 A18 M19 I20S12-E16 PolarHBondContact O-N 3.08Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; E16-M19 PolarHBondContact O-N 3.19Å; E16-I20 HydrophobicContact CG-CD1 3.71Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.14Å
17E89.1Confident89.6Confident175 Ų17588.2 Ų88.282%0.81848%0.481SS*.Hα-helixtrans-54.5-45.4-177.9-59.2-178.2173.300112.6M19 G21E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 2.96Å; E17-G21 PolarHBondContact O-N 3.5Å; E17-G21 VanDerWaalsContact O-N 3.07Å
18A89.9Confident89.7Confident34 Ų3486.5 Ų86.528%0.28146%0.461SS..Hα-helixtrans-75.9-17.2-176.300000113.2Q15 E16 K22 V80Q15-A18 PolarHBondContact O-N 2.94Å; E16-A18 VanDerWaalsContact C-N 3.31Å; E16-A18 PolarHBondContact O-N 2.96Å; A18-K22 WeakPolarHBondContact O-CG 3.42Å; A18-V80 HydrophobicContact CB-CG2 3.67Å
19M90.3Very high89.3Confident30 Ų3086.8 Ų86.815%0.14847%0.47CS..Hα-helixtrans-90.4-44.6175.4-165.2169.6-6400111.2L9 V11 Q15 E16 E17 G21 K22 L23 V80L9-M19 HydrophobicContact CD1-SD 4.24Å; L9-M19 HydrophobicContact CD2-CG 4.47Å; L9-M19 HydrophobicContact CD2-SD 3.8Å; L9-M19 HydrophobicContact CG-SD 4.26Å; V11-M19 HydrophobicContact CG1-CB 4.49Å; V11-M19 HydrophobicContact CG1-CE 4.03Å; V11-M19 HydrophobicContact CG1-SD 3.99Å; V11-M19 HydrophobicContact CG2-SD 3.66Å; Q15-M19 HydrophobicContact CB-CE 4.39Å; Q15-M19 VanDerWaalsContact O-CB 3.24Å; Q15-M19 WeakPolarHBondContact O-CB 2.76Å; Q15-M19 PolarHBondContact O-N 3Å; E16-M19 PolarHBondContact O-N 3.19Å; E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 2.96Å; M19-G21 PolarHBondContact O-N 3.33Å; M19-K22 PolarHBondContact O-N 2.94Å; M19-K22 VanDerWaalsContact O-N 3.11Å; M19-L23 HydrophobicContact CG-CD1 3.89Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.33Å; M19-L23 VanDerWaalsContact O-N 3.09Å; M19-V80 HydrophobicContact CE-CG1 3.57Å
20I89.9Confident89.1Confident67 Ų6786.5 Ų86.534%0.34447%0.468SS..Hα-helixtrans-56.3-52.4173.1-66.2169.6000110E16 K22 L23 E24E16-I20 HydrophobicContact CG-CD1 3.71Å; E16-I20 WeakPolarHBondContact O-CG1 3.48Å; E16-I20 PolarHBondContact O-N 3.14Å; I20-K22 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3.01Å; I20-E24 HydrophobicContact CG2-CG 4.23Å; I20-E24 WeakPolarHBondContact O-CG 3.41Å; I20-E24 PolarHBondContact O-N 3.11Å
21G90.1Very high89Confident20 Ų2087.5 Ų87.521%0.20647%0.471CS..Hα-helixtrans-67.82.4178.800000115.7E17 M19 K25E17-G21 PolarHBondContact O-N 3.5Å; E17-G21 VanDerWaalsContact O-N 3.07Å; M19-G21 PolarHBondContact O-N 3.33Å; G21-K25 VanDerWaalsContact O-CD 3.28Å; G21-K25 WeakPolarHBondContact O-CD 3.43Å; G21-K25 WeakPolarHBondContact O-CE 3.24Å; G21-K25 PolarHBondContact O-NZ 3.15Å
22K89.9Confident88.8Confident60 Ų6091.3 Ų91.326%0.26149%0.485SS..Hα-helixtrans-99.9-41.4163.3-72.3179.2-170.8-177.80111.6A18 M19 I20 E24 K25 H26 D77 V80A18-K22 WeakPolarHBondContact O-CG 3.42Å; M19-K22 PolarHBondContact O-N 2.94Å; M19-K22 VanDerWaalsContact O-N 3.11Å; I20-K22 PolarHBondContact O-N 2.99Å; K22-E24 VanDerWaalsContact C-N 3.33Å; K22-K25 WeakPolarHBondContact O-CB 3.14Å; K22-K25 PolarHBondContact O-N 3.44Å; K22-K25 VanDerWaalsContact O-N 3.14Å; K22-H26 PolarHBondContact O-CD2 3.41Å; K22-H26 VanDerWaalsContact O-CD2 3.26Å; K22-H26 PolarHBondContact O-N 3.4Å; K22-D77 VanDerWaalsContact NZ-CB 3.32Å; K22-D77 VanDerWaalsContact NZ-CG 3.27Å; K22-D77 IonicContact NZ-OD2 3.88Å; K22-D77 PolarHBondContact NZ-OD2 3.22Å; K22-V80 HydrophobicContact CD-CG2 4.47Å
23L90.3Very high88.8Confident37 Ų3795.8 Ų95.819%0.19451%0.506CS..Hα-helixtrans-68.1-35.7-177.8-67.8160.8000111.1L9 M19 I20 K25 H26 S27 I28 I30L9-L23 HydrophobicContact CD2-CD1 3.88Å; M19-L23 HydrophobicContact CG-CD1 3.89Å; M19-L23 WeakPolarHBondContact O-CG 3.38Å; M19-L23 PolarHBondContact O-N 3.33Å; M19-L23 VanDerWaalsContact O-N 3.09Å; I20-L23 PolarHBondContact O-N 3.01Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 3.14Å; L23-H26 CarbonylContact O-C 3.41Å; L23-H26 PolarHBondContact O-N 3.37Å; L23-H26 VanDerWaalsContact O-N 3.15Å; L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 VanDerWaalsContact O-N 3.11Å; L23-I28 HydrophobicContact CB-CB 4.42Å; L23-I28 HydrophobicContact CD2-CB 4.46Å; L23-I28 HydrophobicContact CD2-CD1 3.82Å; L23-I28 PolarHBondContact O-N 3.22Å; L23-I30 HydrophobicContact CB-CD1 3.55Å; L23-I30 HydrophobicContact CD1-CD1 3.31Å; L23-I30 HydrophobicContact CG-CD1 3.92Å
24E90.3Very high88.7Confident134 Ų13497.2 Ų97.263%0.62650%0.5SS*.G310 helixtrans-58.5-41.1168.1-69.7177.9161.800113I20 K22 H26 S27I20-E24 HydrophobicContact CG2-CG 4.23Å; I20-E24 WeakPolarHBondContact O-CG 3.41Å; I20-E24 PolarHBondContact O-N 3.11Å; K22-E24 VanDerWaalsContact C-N 3.33Å; E24-H26 PolarHBondContact O-N 3.25Å; E24-S27 PolarHBondContact O-N 3.06Å
25K92.9Very high88.6Confident166 Ų16699.8 Ų99.872%0.72251%0.507SS*.G310 helixtrans-68.2-23.4177.8-67.3172.4-176.1139.50113.1G21 K22 L23G21-K25 VanDerWaalsContact O-CD 3.28Å; G21-K25 WeakPolarHBondContact O-CD 3.43Å; G21-K25 WeakPolarHBondContact O-CE 3.24Å; G21-K25 PolarHBondContact O-NZ 3.15Å; K22-K25 WeakPolarHBondContact O-CB 3.14Å; K22-K25 PolarHBondContact O-N 3.44Å; K22-K25 VanDerWaalsContact O-N 3.14Å; L23-K25 VanDerWaalsContact C-N 3.35Å; L23-K25 PolarHBondContact O-N 3.14Å
26H92.3Very high88.6Confident145 Ų145106.1 Ų106.167%0.67154%0.536SS*.G310 helixtrans-96.59.7173.2-69.9-66.4000112.5K22 L23 E24 I28K22-H26 PolarHBondContact O-CD2 3.41Å; K22-H26 VanDerWaalsContact O-CD2 3.26Å; K22-H26 PolarHBondContact O-N 3.4Å; L23-H26 CarbonylContact O-C 3.41Å; L23-H26 PolarHBondContact O-N 3.37Å; L23-H26 VanDerWaalsContact O-N 3.15Å; E24-H26 PolarHBondContact O-N 3.25Å; H26-I28 VanDerWaalsContact C-N 3.28Å; H26-I28 HydrophobicContact CB-CD1 4.35Å; H26-I28 HydrophobicContact CB-CG1 4.44Å; H26-I28 PolarHBondContact O-N 2.98Å
27S88.5Confident88.4Confident105 Ų105106.7 Ų106.773%0.73455%0.547SS*.THydrogen-bonded Turntrans56.635.4178.2-55.60000114.4L23 E24 P29L23-S27 PolarHBondContact O-N 2.91Å; L23-S27 VanDerWaalsContact O-N 3.11Å; E24-S27 PolarHBondContact O-N 3.06Å; S27-P29 WeakPolarHBondContact O-CD 3.28Å
28I89.3Confident88.2Confident87 Ų87106.2 Ų106.245%0.44655%0.55SS.*  trans-95.2112.2175.3-61.2173.2000108.4L23 H26 I30L23-I28 HydrophobicContact CB-CB 4.42Å; L23-I28 HydrophobicContact CD2-CB 4.46Å; L23-I28 HydrophobicContact CD2-CD1 3.82Å; L23-I28 PolarHBondContact O-N 3.22Å; H26-I28 VanDerWaalsContact C-N 3.28Å; H26-I28 HydrophobicContact CB-CD1 4.35Å; H26-I28 HydrophobicContact CB-CG1 4.44Å; H26-I28 PolarHBondContact O-N 2.98Å; I28-I30 HydrophobicContact CG2-CG1 4.32Å
29P82.1Confident88Confident125 Ų125108.4 Ų108.481%0.81257%0.568SS**  trans-71.9139.7174.830.6-33.8000110.4S27S27-P29 WeakPolarHBondContact O-CD 3.28Å
30I85.8Confident87.8Confident92 Ų92114.1 Ų114.147%0.47260%0.596SS.*  trans-135.6138-178-59.2172.5000108.6L23 I28L23-I30 HydrophobicContact CB-CD1 3.55Å; L23-I30 HydrophobicContact CD1-CD1 3.31Å; L23-I30 HydrophobicContact CG-CD1 3.92Å; I28-I30 HydrophobicContact CG2-CG1 4.32Å
31E86.9Confident87.7Confident184 Ų184114.9 Ų114.986%0.8661%0.608SS**  trans-109.4132.9175.2-61.8-176.7171.300109.8L33E31-L33 PolarHBondContact O-N 3.07Å
32E86.4Confident87.6Confident135 Ų135118.6 Ų118.663%0.63162%0.623SS**  trans-77.4107.3177.7-167.6-153.2160.300110.1K34E32-K34 PolarHBondContact O-N 3.43Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.32Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å; E32-K34 WeakPolarHBondContact OE2-CE 3.47Å; E32-K34 IonicContact OE2-NZ 2.82Å; E32-K34 PolarHBondContact OE2-NZ 3.11Å
33L86.8Confident87.7Confident128 Ų128119.2 Ų119.267%0.6763%0.631SS**  trans-86.7108.6179.1-176.365.3000111.9L8 E31 I35L8-L33 HydrophobicContact CD1-CD2 4.38Å; E31-L33 PolarHBondContact O-N 3.07Å; L33-I35 PolarHBondContact O-N 2.88Å
34K86.3Confident87.7Confident148 Ų148122.6 Ų122.664%0.64364%0.642SS**  trans-84.6110.6175.1-70.1177178.8155.60110.9E32E32-K34 PolarHBondContact O-N 3.43Å; E32-K34 WeakPolarHBondContact OE1-CE 3.26Å; E32-K34 IonicContact OE1-NZ 3.32Å; E32-K34 PolarHBondContact OE1-NZ 3.09Å; E32-K34 WeakPolarHBondContact OE2-CE 3.47Å; E32-K34 IonicContact OE2-NZ 2.82Å; E32-K34 PolarHBondContact OE2-NZ 3.11Å
35I86.9Confident87.8Confident123 Ų123121 Ų12163%0.63164%0.641SS**  trans-77129178.9-55.6175.1000109.6L33L33-I35 PolarHBondContact O-N 2.88Å
36H87.7Confident87.8Confident145 Ų145119.5 Ų119.567%0.67163%0.634SS**  trans-70.6137.5174.5-68.2-72.3000111.4D38 A39H36-D38 VanDerWaalsContact C-N 3.27Å; H36-D38 PolarHBondContact O-N 3.26Å; H36-A39 PolarHBondContact O-N 2.91Å; H36-A39 VanDerWaalsContact O-N 3.14Å
37P84.5Confident87.8Confident100 Ų100115.5 Ų115.565%0.64962%0.617SS**G310 helixtrans-62.9-32-175.225.6-34.8000113A39 M40P37-A39 PolarHBondContact O-N 2.87Å; P37-M40 WeakPolarHBondContact O-CB 3.14Å; P37-M40 PolarHBondContact O-N 3.06Å
38D86.1Confident88.1Confident166 Ų166115.3 Ų115.389%0.88860%0.601SS**G310 helixtrans-66.7-18.1-179.8-55.1-30.1000113.3H36H36-D38 VanDerWaalsContact C-N 3.27Å; H36-D38 PolarHBondContact O-N 3.26Å
39A85.1Confident88.3Confident79 Ų79114 Ų11465%0.65360%0.603SS**G310 helixtrans-89.6-6.8173.500000113.1H36 P37 S41H36-A39 PolarHBondContact O-N 2.91Å; H36-A39 VanDerWaalsContact O-N 3.14Å; P37-A39 PolarHBondContact O-N 2.87Å; A39-S41 PolarHBondContact O-N 3.47Å
40M86Confident88.9Confident150 Ų150111.9 Ų111.974%0.73958%0.584SS**  trans-84.2106.5-179-176.1176.1-88.600110.9P37P37-M40 WeakPolarHBondContact O-CB 3.14Å; P37-M40 PolarHBondContact O-N 3.06Å
41S87Confident89.2Confident84 Ų84108.5 Ų108.559%0.58757%0.567SS**  trans-99.2133.517272.10000111.7A39 V43A39-S41 PolarHBondContact O-N 3.47Å; S41-V43 PolarHBondContact O-N 2.85Å
42D88Confident89.4Confident98 Ų98104 Ų10452%0.52456%0.561SS.*  trans-74.7120.7172.5-173.312.2000111R44D42-R44 VanDerWaalsContact OD1-CB 3.26Å; D42-R44 WeakPolarHBondContact OD1-CB 3.22Å; D42-R44 WeakPolarHBondContact OD1-CD 3.4Å; D42-R44 WeakPolarHBondContact OD1-CG 3.14Å; D42-R44 PolarHBondContact OD1-N 2.94Å; D42-R44 IonicContact OD1-NE 3.94Å
43V91.8Very high89.8Confident72 Ų72105.8 Ų105.844%0.43657%0.569SS.*  trans-96.8-14.6-179.5-163.30000111.4S41 V45 K46 L47S41-V43 PolarHBondContact O-N 2.85Å; V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.22Å; V43-K46 WeakPolarHBondContact O-CB 3.38Å; V43-K46 PolarHBondContact O-N 3.42Å; V43-L47 HydrophobicContact CG1-CD1 4.42Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 PolarHBondContact O-N 3.14Å
44R91.6Very high90.1Very high109 Ų109101.2 Ų101.241%0.41155%0.548SS..Hα-helixtrans-57.3-40-173.9-63.8170.4-164.3-151.34.9112.7D42 K46 L47 R48D42-R44 VanDerWaalsContact OD1-CB 3.26Å; D42-R44 WeakPolarHBondContact OD1-CB 3.22Å; D42-R44 WeakPolarHBondContact OD1-CD 3.4Å; D42-R44 WeakPolarHBondContact OD1-CG 3.14Å; D42-R44 PolarHBondContact OD1-N 2.94Å; D42-R44 IonicContact OD1-NE 3.94Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.66Å; R44-L47 PolarHBondContact O-N 2.98Å; R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 VanDerWaalsContact O-CG 3.28Å; R44-R48 WeakPolarHBondContact O-CG 3.28Å; R44-R48 PolarHBondContact O-N 3.18Å
45V92.1Very high90.4Very high100 Ų10097.9 Ų97.961%0.60654%0.535SS*.Hα-helixtrans-63.3-40.3178.1-176.90000111.5V43 A49V43-V45 VanDerWaalsContact C-N 3.3Å; V43-V45 PolarHBondContact O-N 3.22Å; V45-A49 PolarHBondContact O-N 2.9Å
46K92.9Very high90.8Very high135 Ų13598.4 Ų98.459%0.58754%0.535SS*.Hα-helixtrans-69.4-43.5177.9-62.1176.5-178172.70111.1V43 R44 A49 I50V43-K46 WeakPolarHBondContact O-CB 3.38Å; V43-K46 PolarHBondContact O-N 3.42Å; R44-K46 VanDerWaalsContact C-N 3.34Å; R44-K46 PolarHBondContact O-N 2.66Å; K46-A49 PolarHBondContact O-N 3.48Å; K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 3.45Å
47L92.9Very high91.1Very high60 Ų6095.1 Ų95.131%0.31452%0.522SS..Hα-helixtrans-61.4-45.9175.5-67.5173.3000111.6V43 R44 A49 I50 L51 S94V43-L47 HydrophobicContact CG1-CD1 4.42Å; V43-L47 HydrophobicContact CG1-CG 4.2Å; V43-L47 PolarHBondContact O-N 3.14Å; R44-L47 PolarHBondContact O-N 2.98Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.24Å; L47-I50 PolarHBondContact O-N 3.37Å; L47-I50 VanDerWaalsContact O-N 3.15Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.09Å; L47-S94 WeakPolarHBondContact CD1-O 3.43Å
48R93.9Very high91.4Very high101 Ų10194.1 Ų94.138%0.38151%0.507SS..Hα-helixtrans-56.7-38.4175.6-77.4167.6178.1174.8-1.8112.6R44 A52 D93 G96R44-R48 WeakPolarHBondContact O-CB 3.11Å; R44-R48 VanDerWaalsContact O-CG 3.28Å; R44-R48 WeakPolarHBondContact O-CG 3.28Å; R44-R48 PolarHBondContact O-N 3.18Å; R48-A52 WeakPolarHBondContact O-CB 3.35Å; R48-A52 PolarHBondContact O-N 2.99Å; R48-A52 VanDerWaalsContact O-N 3.13Å; R48-D93 IonicContact CZ-OD1 2.66Å; R48-D93 IonicContact NH2-OD1 3.86Å; R48-D93 PolarHBondContact NH2-OD1 3.05Å; R48-G96 WeakPolarHBondContact CG-O 3.36Å
49A93.6Very high91.8Very high61 Ų6188.6 Ų88.650%0.50448%0.476SS..Hα-helixtrans-66.3-48.4174.500000112.1V45 K46 L47 L51 A52 E53V45-A49 PolarHBondContact O-N 2.9Å; K46-A49 PolarHBondContact O-N 3.48Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.24Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.06Å; A49-A52 WeakPolarHBondContact O-CB 3.47Å; A49-A52 PolarHBondContact O-N 3.11Å; A49-A52 VanDerWaalsContact O-N 3.11Å; A49-E53 PolarHBondContact O-N 3.5Å; A49-E53 VanDerWaalsContact O-N 3.08Å
50I93.6Very high92.2Very high79 Ų7991.7 Ų91.741%0.40547%0.472SS..Hα-helixtrans-61.1-40.3178.9-66.5163.2000111.7K46 L47 A52 E53 S54 L57K46-I50 WeakPolarHBondContact O-CG1 3.5Å; K46-I50 PolarHBondContact O-N 3.45Å; L47-I50 PolarHBondContact O-N 3.37Å; L47-I50 VanDerWaalsContact O-N 3.15Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.27Å; I50-E53 PolarHBondContact O-N 3Å; I50-S54 PolarHBondContact O-N 3.37Å; I50-L57 HydrophobicContact CG2-CD1 3.48Å; I50-L57 VanDerWaalsContact CG2-CD1 3.48Å
51L92.9Very high92.5Very high22 Ų2285 Ų8512%0.11544%0.44CS..Hα-helixtrans-74.5-17.8177.1-64.1-170.9000113.9L47 A49 L57 A61 F95 L97L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.09Å; A49-L51 VanDerWaalsContact C-N 3.34Å; A49-L51 PolarHBondContact O-N 3.06Å; L51-L57 HydrophobicContact CD2-CB 3.78Å; L51-A61 HydrophobicContact CD1-CB 4.11Å; L51-A61 HydrophobicContact CD2-CB 4.23Å; L51-F95 VanDerWaalsContact CD1-O 3.27Å; L51-F95 WeakPolarHBondContact CD1-O 3.49Å; L51-L97 HydrophobicContact CD1-CD2 4Å; L51-L97 HydrophobicContact CD1-CG 4.2Å
52A92.3Very high92.8Very high89 Ų8982.8 Ų82.874%0.73642%0.42SS*.Hα-helixtrans-82.8-28.6171.100000112R48 A49 I50R48-A52 WeakPolarHBondContact O-CB 3.35Å; R48-A52 PolarHBondContact O-N 2.99Å; R48-A52 VanDerWaalsContact O-N 3.13Å; A49-A52 WeakPolarHBondContact O-CB 3.47Å; A49-A52 PolarHBondContact O-N 3.11Å; A49-A52 VanDerWaalsContact O-N 3.11Å; I50-A52 VanDerWaalsContact C-N 3.31Å; I50-A52 PolarHBondContact O-N 3.27Å
53E94.8Very high93Very high172 Ų17282.1 Ų82.180%0.80441%0.413SS*.Hα-helixtrans-75.1-41.8176.9-174.1173.3-165.800112.4A49 I50A49-E53 PolarHBondContact O-N 3.5Å; A49-E53 VanDerWaalsContact O-N 3.08Å; I50-E53 PolarHBondContact O-N 3Å
54S93.2Very high93.1Very high33 Ų3380.7 Ų80.723%0.23141%0.406CS..  trans-121.8118.2179.3178.70000113.8I50 E56 L57 K58I50-S54 PolarHBondContact O-N 3.37Å; S54-E56 VanDerWaalsContact C-N 3.28Å; S54-E56 PolarHBondContact O-N 3Å; S54-E56 PolarHBondContact OG-N 2.66Å; S54-L57 PolarHBondContact O-N 3.19Å; S54-L57 PolarHBondContact OG-N 3.05Å; S54-K58 PolarHBondContact O-N 3.39Å
55Q92.5Very high93.1Very high77 Ų7775.5 Ų75.536%0.3639%0.387SS..Hα-helixtrans-65.7-28.7172.317660.534.400112.3K58 E59Q55-K58 WeakPolarHBondContact O-CB 3.45Å; Q55-K58 PolarHBondContact O-N 3.46Å; Q55-E59 PolarHBondContact O-N 2.85Å
56E94.9Very high93.1Very high134 Ų13471.5 Ų71.563%0.62636%0.363SS*.Hα-helixtrans-66.5-45.8176-62180172.100111.1S54 K58 E59 Y60S54-E56 VanDerWaalsContact C-N 3.28Å; S54-E56 PolarHBondContact O-N 3Å; S54-E56 PolarHBondContact OG-N 2.66Å; E56-K58 VanDerWaalsContact C-N 3.25Å; E56-K58 PolarHBondContact O-N 2.66Å; E56-E59 WeakPolarHBondContact O-CB 3.31Å; E56-E59 PolarHBondContact O-N 2.98Å; E56-E59 VanDerWaalsContact O-N 3.12Å; E56-Y60 HydrophobicContact CB-CE2 4.25Å; E56-Y60 WeakPolarHBondContact O-CD2 3.2Å; E56-Y60 PolarHBondContact O-N 2.88Å
57L92.7Very high93.1Very high76 Ų7667.6 Ų67.640%0.39836%0.355SS..Hα-helixtrans-61.2-36.6176.3-64.3-179000111.6I50 L51 S54 Y60 A61I50-L57 HydrophobicContact CG2-CD1 3.48Å; I50-L57 VanDerWaalsContact CG2-CD1 3.48Å; L51-L57 HydrophobicContact CD2-CB 3.78Å; S54-L57 PolarHBondContact O-N 3.19Å; S54-L57 PolarHBondContact OG-N 3.05Å; L57-Y60 HydrophobicContact CD2-CD2 4.44Å; L57-Y60 PolarHBondContact O-N 3Å; L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3.06Å
58K92.7Very high93.1Very high79 Ų7969.6 Ų69.634%0.34336%0.359SS..Hα-helixtrans-64.4-40.2174.2-177.8179.7169.2-168.40112.5S54 Q55 E56 A61 Q62 L97S54-K58 PolarHBondContact O-N 3.39Å; Q55-K58 WeakPolarHBondContact O-CB 3.45Å; Q55-K58 PolarHBondContact O-N 3.46Å; E56-K58 VanDerWaalsContact C-N 3.25Å; E56-K58 PolarHBondContact O-N 2.66Å; K58-A61 PolarHBondContact O-N 3.09Å; K58-Q62 WeakPolarHBondContact O-CG 3.48Å; K58-Q62 PolarHBondContact O-N 3.09Å; K58-L97 HydrophobicContact CG-CD2 3.92Å
59E92.9Very high92.9Very high51 Ų5164.9 Ų64.924%0.23834%0.342CS..Hα-helixtrans-66.5-40.5172.4-74.1-172.6-154.500112.7Q55 E56 A61 Q62 K63Q55-E59 PolarHBondContact O-N 2.85Å; E56-E59 WeakPolarHBondContact O-CB 3.31Å; E56-E59 PolarHBondContact O-N 2.98Å; E56-E59 VanDerWaalsContact O-N 3.12Å; E59-A61 VanDerWaalsContact C-N 3.34Å; E59-Q62 PolarHBondContact O-N 3.39Å; E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 WeakPolarHBondContact O-CD 3.39Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.37Å; E59-K63 IonicContact OE2-NZ 3.2Å; E59-K63 PolarHBondContact OE2-NZ 2.95Å
60Y94Very high92.7Very high144 Ų14465.9 Ų65.957%0.56533%0.332SS*.Hα-helixtrans-63.4-39.8175.2-67.8-53.4000111.9E56 L57 Q62 K63 S64E56-Y60 HydrophobicContact CB-CE2 4.25Å; E56-Y60 WeakPolarHBondContact O-CD2 3.2Å; E56-Y60 PolarHBondContact O-N 2.88Å; L57-Y60 HydrophobicContact CD2-CD2 4.44Å; L57-Y60 PolarHBondContact O-N 3Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.15Å; Y60-K63 PolarHBondContact O-N 3.23Å; Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.27Å; Y60-S64 PolarHBondContact O-OG 3.11Å
61A93.3Very high92.6Very high8 Ų865.4 Ų65.47%0.06634%0.336CS..Hα-helixtrans-64.4-35.6173.900000112.9L51 L57 K58 E59 S64 I65 L97L51-A61 HydrophobicContact CD1-CB 4.11Å; L51-A61 HydrophobicContact CD2-CB 4.23Å; L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3.06Å; K58-A61 PolarHBondContact O-N 3.09Å; E59-A61 VanDerWaalsContact C-N 3.34Å; A61-S64 WeakPolarHBondContact CA-OG 3.43Å; A61-S64 PolarHBondContact O-OG 3.29Å; A61-I65 WeakPolarHBondContact O-CG1 3.34Å; A61-I65 PolarHBondContact O-N 3.13Å; A61-L97 HydrophobicContact CB-CD1 4.14Å; A61-L97 HydrophobicContact CB-CD2 4.34Å; A61-L97 HydrophobicContact CB-CG 4.28Å
62Q92.6Very high92.5Very high38 Ų3864.8 Ų64.818%0.17833%0.333CS..Hα-helixtrans-68.6-44.1172.9-71.6176.1-6.200111.4K58 E59 Y60 V66 L97 P101K58-Q62 WeakPolarHBondContact O-CG 3.48Å; K58-Q62 PolarHBondContact O-N 3.09Å; E59-Q62 PolarHBondContact O-N 3.39Å; Y60-Q62 VanDerWaalsContact C-N 3.35Å; Y60-Q62 PolarHBondContact O-N 3.15Å; Q62-V66 WeakPolarHBondContact O-CG2 3.33Å; Q62-V66 PolarHBondContact O-N 3.06Å; Q62-L97 HydrophobicContact CG-CD1 3.92Å; Q62-L97 HydrophobicContact CG-CD2 4.15Å; Q62-P101 HydrophobicContact CB-CB 4.14Å; Q62-P101 HydrophobicContact CG-CB 4.2Å
63K92.5Very high92.4Very high84 Ų8465.2 Ų65.237%0.36532%0.316SS..Hα-helixtrans-63.5-39.4177.5-70.7161.7-171.3159.30111.6E59 Y60 V66 A67 I137E59-K63 WeakPolarHBondContact O-CB 3.41Å; E59-K63 WeakPolarHBondContact O-CD 3.39Å; E59-K63 VanDerWaalsContact O-CG 3.25Å; E59-K63 WeakPolarHBondContact O-CG 3.49Å; E59-K63 PolarHBondContact O-N 3.37Å; E59-K63 IonicContact OE2-NZ 3.2Å; E59-K63 PolarHBondContact OE2-NZ 2.95Å; Y60-K63 PolarHBondContact O-N 3.23Å; K63-V66 PolarHBondContact O-N 3.4Å; K63-A67 WeakPolarHBondContact O-CB 3.45Å; K63-A67 PolarHBondContact O-N 2.87Å; K63-I137 HydrophobicContact CG-CD1 3.84Å
64S93.6Very high92.2Very high43 Ų4361.9 Ų61.930%0.30131%0.308SS..Hα-helixtrans-66.4-40.2179.965.10000112.9Y60 A61 A67 Y68 F95Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.27Å; Y60-S64 PolarHBondContact O-OG 3.11Å; A61-S64 WeakPolarHBondContact CA-OG 3.43Å; A61-S64 PolarHBondContact O-OG 3.29Å; S64-A67 PolarHBondContact O-N 3.15Å; S64-Y68 WeakPolarHBondContact O-CB 3.42Å; S64-Y68 PolarHBondContact O-N 3.08Å; S64-F95 WeakPolarHBondContact OG-CE1 3.14Å
65I92.4Very high92.1Very high0 Ų064.3 Ų64.30%032%0.316CS..Hα-helixtrans-62.8-46.6174.8-69.8173.2000111A61 A67 Y68 L69 L91 A92 F95 L97 P101A61-I65 WeakPolarHBondContact O-CG1 3.34Å; A61-I65 PolarHBondContact O-N 3.13Å; I65-A67 VanDerWaalsContact C-N 3.32Å; I65-A67 PolarHBondContact O-N 3.17Å; I65-Y68 PolarHBondContact O-N 3.36Å; I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 3.02Å; I65-L91 HydrophobicContact CG2-CD2 4.12Å; I65-A92 HydrophobicContact CD1-CB 4.12Å; I65-F95 HydrophobicContact CD1-CB 4.1Å; I65-F95 HydrophobicContact CD1-CD2 3.89Å; I65-F95 HydrophobicContact CD1-CG 4.08Å; I65-F95 HydrophobicContact CG1-CD2 3.63Å; I65-F95 HydrophobicContact CG1-CE2 3.88Å; I65-F95 HydrophobicContact CG1-CG 4.04Å; I65-F95 HydrophobicContact CG1-CZ 4.49Å; I65-L97 HydrophobicContact CD1-CD1 3.62Å; I65-P101 HydrophobicContact CB-CG 3.97Å; I65-P101 HydrophobicContact CD1-CG 4.2Å; I65-P101 HydrophobicContact CG2-CG 3.76Å
66V91.6Very high91.9Very high16 Ų1670 Ų7010%0.09734%0.34CS..Hα-helixtrans-62-42.1177.7177.80000110.5Q62 K63 R70 P101 V103 F105Q62-V66 WeakPolarHBondContact O-CG2 3.33Å; Q62-V66 PolarHBondContact O-N 3.06Å; K63-V66 PolarHBondContact O-N 3.4Å; V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.37Å; V66-P101 HydrophobicContact CG2-CB 4.34Å; V66-P101 HydrophobicContact CG2-CG 4.46Å; V66-V103 HydrophobicContact CG2-CG2 4.47Å; V66-F105 HydrophobicContact CG1-CE1 4.27Å
67A92.6Very high91.7Very high52 Ų5267.8 Ų67.843%0.4333%0.332SS..Hα-helixtrans-64.9-41176.600000113K63 S64 I65 R70 S71K63-A67 WeakPolarHBondContact O-CB 3.45Å; K63-A67 PolarHBondContact O-N 2.87Å; S64-A67 PolarHBondContact O-N 3.15Å; I65-A67 VanDerWaalsContact C-N 3.32Å; I65-A67 PolarHBondContact O-N 3.17Å; A67-R70 PolarHBondContact O-N 2.94Å; A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.34Å
68Y92.4Very high91.4Very high102 Ų10271.1 Ų71.140%0.434%0.344SS..Hα-helixtrans-62.8-52.2176.7176.6-103.6000111.6S64 I65 R70 S71 I72 L91S64-Y68 WeakPolarHBondContact O-CB 3.42Å; S64-Y68 PolarHBondContact O-N 3.08Å; I65-Y68 PolarHBondContact O-N 3.36Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 2.85Å; Y68-S71 WeakPolarHBondContact O-CB 3.43Å; Y68-S71 PolarHBondContact O-N 2.86Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; Y68-I72 HydrophobicContact CD1-CD1 4.11Å; Y68-I72 HydrophobicContact CE1-CD1 3.5Å; Y68-I72 HydrophobicContact CE2-CD1 4Å; Y68-I72 VanDerWaalsContact CZ-CD1 3.46Å; Y68-I72 PolarHBondContact O-N 2.96Å; Y68-L91 HydrophobicContact CD1-CD2 3.77Å; Y68-L91 HydrophobicContact CE1-CD1 4.4Å; Y68-L91 HydrophobicContact CE1-CD2 4.06Å
69L91.1Very high91.1Very high3 Ų376.5 Ų76.52%0.01637%0.367CS..Hα-helixtrans-62.4-34.6177.6-66.1171.1000111.7I65 Y73 V83 I86 L91 V103 F105I65-L69 HydrophobicContact CG2-CD1 3.92Å; I65-L69 WeakPolarHBondContact O-CG 3.44Å; I65-L69 PolarHBondContact O-N 3.02Å; L69-Y73 VanDerWaalsContact O-CB 3.32Å; L69-Y73 WeakPolarHBondContact O-CB 3.43Å; L69-Y73 PolarHBondContact O-N 3.32Å; L69-V83 HydrophobicContact CD2-CG1 4.19Å; L69-I86 HydrophobicContact CD2-CG2 4.27Å; L69-L91 HydrophobicContact CD2-CD2 4.25Å; L69-L91 HydrophobicContact CG-CD2 4.35Å; L69-V103 HydrophobicContact CD1-CG2 3.81Å; L69-F105 HydrophobicContact CB-CZ 3.98Å
70R89.4Confident90.9Very high81 Ų8174.3 Ų74.331%0.30636%0.357SS..Hα-helixtrans-67.4-39.4174.4177.7176.1-70.9141.61.2112V66 A67 Y68 Y73 T74 F105 E139V66-R70 WeakPolarHBondContact O-CB 3.46Å; V66-R70 PolarHBondContact O-N 3.37Å; A67-R70 PolarHBondContact O-N 2.94Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 2.85Å; R70-Y73 PolarHBondContact O-N 3.11Å; R70-T74 WeakPolarHBondContact O-CB 3.49Å; R70-T74 PolarHBondContact O-N 2.99Å; R70-T74 PolarHBondContact O-OG1 3.39Å; R70-F105 HydrophobicContact CB-CE1 3.77Å; R70-F105 HydrophobicContact CB-CZ 3.89Å; R70-F105 HydrophobicContact CG-CE1 4.49Å; R70-E139 IonicContact CZ-OE1 3.2Å; R70-E139 IonicContact CZ-OE2 2.75Å; R70-E139 IonicContact NH1-OE1 2.57Å; R70-E139 PolarHBondContact NH1-OE1 3.36Å; R70-E139 IonicContact NH2-OE1 2.71Å; R70-E139 PolarHBondContact NH2-OE1 3.34Å; R70-E139 IonicContact NH2-OE2 2.77Å; R70-E139 PolarHBondContact NH2-OE2 2.94Å
71S91.1Very high90.7Very high69 Ų6969.6 Ų69.648%0.48334%0.339SS..Hα-helixtrans-60.9-53.2175.5-174.40000110.5A67 Y68 Y73 T74 M75A67-S71 WeakPolarHBondContact O-CB 3.35Å; A67-S71 PolarHBondContact O-N 3.34Å; Y68-S71 WeakPolarHBondContact O-CB 3.43Å; Y68-S71 PolarHBondContact O-N 2.86Å; Y68-S71 VanDerWaalsContact O-N 3.11Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 3.45Å; S71-T74 WeakPolarHBondContact O-CA 3.4Å; S71-T74 WeakPolarHBondContact O-CB 3.32Å; S71-T74 PolarHBondContact O-N 3.06Å; S71-M75 WeakPolarHBondContact O-CG 3.37Å; S71-M75 PolarHBondContact O-N 3.05Å
72I90.9Very high90.5Very high9 Ų972 Ų725%0.04635%0.352CS..Hα-helixtrans-57.4-43.6177.1-63-177.3000111Y68 T74 M75 F81 V83 I86Y68-I72 HydrophobicContact CD1-CD1 4.11Å; Y68-I72 HydrophobicContact CE1-CD1 3.5Å; Y68-I72 HydrophobicContact CE2-CD1 4Å; Y68-I72 VanDerWaalsContact CZ-CD1 3.46Å; Y68-I72 PolarHBondContact O-N 2.96Å; I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.32Å; I72-M75 PolarHBondContact O-N 3.32Å; I72-F81 HydrophobicContact CG2-CB 3.8Å; I72-V83 HydrophobicContact CB-CG2 4.29Å; I72-V83 HydrophobicContact CG2-CG2 3.71Å; I72-I86 HydrophobicContact CD1-CD1 3.39Å; I72-I86 HydrophobicContact CG2-CD1 4.21Å
73Y89.9Confident90.2Very high98 Ų9870.8 Ų70.838%0.38435%0.347SS..Hα-helixtrans-61.5-32.7175.4-177.2-92.1000113.9L69 R70 S71 V83 F105 K109L69-Y73 VanDerWaalsContact O-CB 3.32Å; L69-Y73 WeakPolarHBondContact O-CB 3.43Å; L69-Y73 PolarHBondContact O-N 3.32Å; R70-Y73 PolarHBondContact O-N 3.11Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 3.45Å; Y73-V83 HydrophobicContact CD2-CG2 4.42Å; Y73-F105 HydrophobicContact CD1-CD2 4.44Å; Y73-F105 HydrophobicContact CD2-CD2 4.35Å; Y73-F105 HydrophobicContact CD2-CE2 4.43Å; Y73-F105 HydrophobicContact CG-CD2 4.15Å; Y73-F105 HydrophobicContact CG-CE2 4.12Å; Y73-K109 HydrophobicContact CE2-CD 4.1Å
74T90.3Very high89.8Confident102 Ų10273.6 Ų73.663%0.62636%0.361SS*.Hα-helixtrans-79.7-25.3-179-58.30000112.3R70 S71 I72R70-T74 WeakPolarHBondContact O-CB 3.49Å; R70-T74 PolarHBondContact O-N 2.99Å; R70-T74 PolarHBondContact O-OG1 3.39Å; S71-T74 WeakPolarHBondContact O-CA 3.4Å; S71-T74 WeakPolarHBondContact O-CB 3.32Å; S71-T74 PolarHBondContact O-N 3.06Å; I72-T74 VanDerWaalsContact C-N 3.27Å; I72-T74 PolarHBondContact O-N 3.32Å
75M90.5Very high89.5Confident85 Ų8574.3 Ų74.342%0.41937%0.369SS..  trans-64.7136.1-179-70.8-64.7-86.200112S71 I72 D77 F81S71-M75 WeakPolarHBondContact O-CG 3.37Å; S71-M75 PolarHBondContact O-N 3.05Å; I72-M75 PolarHBondContact O-N 3.32Å; M75-D77 VanDerWaalsContact C-N 3.35Å; M75-D77 PolarHBondContact O-N 3.33Å; M75-F81 HydrophobicContact CB-CB 3.79Å; M75-F81 HydrophobicContact CB-CD2 3.52Å; M75-F81 HydrophobicContact CB-CE2 4.27Å; M75-F81 HydrophobicContact CB-CG 3.7Å; M75-F81 HydrophobicContact CE-CD2 4.02Å; M75-F81 HydrophobicContact CE-CE2 3.48Å; M75-F81 VanDerWaalsContact CE-CE2 3.48Å; M75-F81 HydrophobicContact CE-CZ 3.86Å; M75-F81 HydrophobicContact CG-CD2 3.99Å; M75-F81 HydrophobicContact CG-CE2 4.34Å; M75-F81 HydrophobicContact CG-CG 4.08Å
76K89.1Confident89.2Confident197 Ų19775.9 Ų75.986%0.85738%0.377SS*.SBendtrans-67.2-35.7-176.6-63.5178-178.6175.40112.5K78K76-K78 PolarHBondContact O-N 2.98Å
77D89.7Confident89.1Confident86 Ų8679.7 Ų79.746%0.4640%0.397SS..  trans-86.571.7-170.8-73.6-21.2000113.3K22 M75 K79 V80 F81K22-D77 VanDerWaalsContact NZ-CB 3.32Å; K22-D77 VanDerWaalsContact NZ-CG 3.27Å; K22-D77 IonicContact NZ-OD2 3.88Å; K22-D77 PolarHBondContact NZ-OD2 3.22Å; M75-D77 VanDerWaalsContact C-N 3.35Å; M75-D77 PolarHBondContact O-N 3.33Å; D77-K79 PolarHBondContact O-N 3.43Å; D77-V80 PolarHBondContact O-N 3.29Å; D77-F81 HydrophobicContact CB-CD2 4.11Å; D77-F81 HydrophobicContact CB-CE2 4.44Å; D77-F81 PolarHBondContact O-N 2.8Å
78K87.9Confident89Confident147 Ų14778.8 Ų78.864%0.63939%0.389SS*.THydrogen-bonded Turntrans-61.3-11.1-178.9-63.4175.1-177170.80115.7K76 V80K76-K78 PolarHBondContact O-N 2.98Å; K78-V80 VanDerWaalsContact C-N 3.29Å
79K86.3Confident88.9Confident192 Ų19276.1 Ų76.184%0.83539%0.389SS*.THydrogen-bonded Turntrans-72.4-22.5170.7-67.9-171.3176.6-1720113.3D77D77-K79 PolarHBondContact O-N 3.43Å
80V88.1Confident88.9Confident5 Ų578.3 Ų78.33%0.0341%0.407CS..THydrogen-bonded Turntrans-104.2-54.3171178.70000107.5Q15 A18 M19 K22 D77 K78 D82Q15-V80 HydrophobicContact CB-CG1 4.16Å; Q15-V80 HydrophobicContact CG-CG1 3.86Å; Q15-V80 WeakPolarHBondContact CG-O 3.33Å; A18-V80 HydrophobicContact CB-CG2 3.67Å; M19-V80 HydrophobicContact CE-CG1 3.57Å; K22-V80 HydrophobicContact CD-CG2 4.47Å; D77-V80 PolarHBondContact O-N 3.29Å; K78-V80 VanDerWaalsContact C-N 3.29Å; V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.33Å
81F89.9Confident89Confident44 Ų4475.7 Ų75.719%0.19340%0.399CS..  trans-90.168-174.3-55-65.2000111.2I72 M75 D77I72-F81 HydrophobicContact CG2-CB 3.8Å; M75-F81 HydrophobicContact CB-CB 3.79Å; M75-F81 HydrophobicContact CB-CD2 3.52Å; M75-F81 HydrophobicContact CB-CE2 4.27Å; M75-F81 HydrophobicContact CB-CG 3.7Å; M75-F81 HydrophobicContact CE-CD2 4.02Å; M75-F81 HydrophobicContact CE-CE2 3.48Å; M75-F81 VanDerWaalsContact CE-CE2 3.48Å; M75-F81 HydrophobicContact CE-CZ 3.86Å; M75-F81 HydrophobicContact CG-CD2 3.99Å; M75-F81 HydrophobicContact CG-CE2 4.34Å; M75-F81 HydrophobicContact CG-CG 4.08Å; D77-F81 HydrophobicContact CB-CD2 4.11Å; D77-F81 HydrophobicContact CB-CE2 4.44Å; D77-F81 PolarHBondContact O-N 2.8Å
82D88.4Confident89.1Confident60 Ų6072.5 Ų72.532%0.32138%0.377SS..  trans-86.7140.1164.1-173.224.1000110.6V80 E84 A85 I86V80-D82 VanDerWaalsContact C-N 3.33Å; V80-D82 PolarHBondContact O-N 3.33Å; D82-E84 PolarHBondContact OD1-N 3.32Å; D82-A85 HydrophobicContact CB-CB 4.29Å; D82-A85 WeakPolarHBondContact OD2-CB 3.47Å; D82-A85 PolarHBondContact OD2-N 3.48Å; D82-A85 VanDerWaalsContact OD2-N 3.09Å; D82-I86 VanDerWaalsContact O-CD1 3.27Å; D82-I86 WeakPolarHBondContact O-CD1 3.12Å; D82-I86 WeakPolarHBondContact O-CG1 3.35Å
83V86.4Confident89.2Confident12 Ų1274.8 Ų74.87%0.07339%0.389CS..SBendtrans-98.2-25.1177.8-1660000110.7L69 I72 Y73 I86 L106L69-V83 HydrophobicContact CD2-CG1 4.19Å; I72-V83 HydrophobicContact CB-CG2 4.29Å; I72-V83 HydrophobicContact CG2-CG2 3.71Å; Y73-V83 HydrophobicContact CD2-CG2 4.42Å; V83-I86 PolarHBondContact O-N 3.43Å; V83-L106 HydrophobicContact CB-CD2 4.45Å; V83-L106 HydrophobicContact CG1-CD1 4.39Å; V83-L106 HydrophobicContact CG1-CD2 3.85Å
84E84.7Confident89.2Confident143 Ų14372.4 Ų72.467%0.66839%0.387SS*.THydrogen-bonded Turntrans-76.8-29.8-177.1-67.9165.7-146.500111.1D82 I86 K109D82-E84 PolarHBondContact OD1-N 3.32Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.26Å; E84-K109 IonicContact OE1-NZ 2.83Å; E84-K109 PolarHBondContact OE1-NZ 3.41Å
85A86.8Confident89.3Confident57 Ų5771.1 Ų71.147%0.47137%0.373SS..THydrogen-bonded Turntrans-73.4-3.1170.300000115.9D82D82-A85 HydrophobicContact CB-CB 4.29Å; D82-A85 WeakPolarHBondContact OD2-CB 3.47Å; D82-A85 PolarHBondContact OD2-N 3.48Å; D82-A85 VanDerWaalsContact OD2-N 3.09Å
86I87Confident89.3Confident33 Ų3367.2 Ų67.217%0.16936%0.355CS..SBendtrans-103.1118.7-176.4-62.1176.3000110.2L69 I72 D82 V83 E84 A88L69-I86 HydrophobicContact CD2-CG2 4.27Å; I72-I86 HydrophobicContact CD1-CD1 3.39Å; I72-I86 HydrophobicContact CG2-CD1 4.21Å; D82-I86 VanDerWaalsContact O-CD1 3.27Å; D82-I86 WeakPolarHBondContact O-CD1 3.12Å; D82-I86 WeakPolarHBondContact O-CG1 3.35Å; V83-I86 PolarHBondContact O-N 3.43Å; E84-I86 VanDerWaalsContact C-N 3.27Å; E84-I86 PolarHBondContact O-N 3.26Å; I86-A88 PolarHBondContact O-N 3.06Å; I86-A88 VanDerWaalsContact O-N 3.15Å
87D89.7Confident89.5Confident97 Ų9758.2 Ų58.252%0.51932%0.316SS..  trans-72.1107.6172.4179.619.9000111.5A89 A90 L91D87-A89 VanDerWaalsContact C-N 3.25Å; D87-A89 PolarHBondContact O-N 3.34Å; D87-A89 VanDerWaalsContact OD1-CB 3.31Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 3.41Å; D87-A90 HydrophobicContact CB-CB 4.18Å; D87-A90 WeakPolarHBondContact OD2-CB 3.45Å; D87-A90 PolarHBondContact OD2-N 3.12Å; D87-L91 WeakPolarHBondContact O-CB 3.25Å; D87-L91 PolarHBondContact O-N 2.88Å; D87-L91 VanDerWaalsContact O-N 3.11Å
88A88.9Confident89.4Confident32 Ų3260.9 Ų60.926%0.26434%0.335SS..Hα-helixtrans-66.7-23.7175.900000113.3I86 A92 V100I86-A88 PolarHBondContact O-N 3.06Å; I86-A88 VanDerWaalsContact O-N 3.15Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.93Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A88-V100 HydrophobicContact CB-CG1 3.99Å
89A90.6Very high89.4Confident47 Ų4758.2 Ų58.239%0.38834%0.335SS..Hα-helixtrans-73-56.1176.500000111.1D87 L91 A92 D93 V100D87-A89 VanDerWaalsContact C-N 3.25Å; D87-A89 PolarHBondContact O-N 3.34Å; D87-A89 VanDerWaalsContact OD1-CB 3.31Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 3.41Å; A89-L91 PolarHBondContact O-N 3.32Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-A92 VanDerWaalsContact O-N 3.09Å; A89-D93 PolarHBondContact O-N 3.47Å; A89-V100 HydrophobicContact CB-CG2 4.26Å
90A91.4Very high89.5Confident48 Ų4852.1 Ų52.140%0.39731%0.313SS..Hα-helixtrans-56.7-35.7174.100000112.8D87 D93 S94D87-A90 HydrophobicContact CB-CB 4.18Å; D87-A90 WeakPolarHBondContact OD2-CB 3.45Å; D87-A90 PolarHBondContact OD2-N 3.12Å; A90-D93 PolarHBondContact O-N 3.39Å; A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.9Å
91L91.4Very high89.6Confident26 Ų2652.6 Ų52.614%0.13632%0.317CS..Hα-helixtrans-62.6-51.2173.7-173.665.7000111.2I65 Y68 L69 D87 A89 D93 S94 F95I65-L91 HydrophobicContact CG2-CD2 4.12Å; Y68-L91 HydrophobicContact CD1-CD2 3.77Å; Y68-L91 HydrophobicContact CE1-CD1 4.4Å; Y68-L91 HydrophobicContact CE1-CD2 4.06Å; L69-L91 HydrophobicContact CD2-CD2 4.25Å; L69-L91 HydrophobicContact CG-CD2 4.35Å; D87-L91 WeakPolarHBondContact O-CB 3.25Å; D87-L91 PolarHBondContact O-N 2.88Å; D87-L91 VanDerWaalsContact O-N 3.11Å; A89-L91 PolarHBondContact O-N 3.32Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 2.82Å; L91-S94 PolarHBondContact O-N 2.92Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 2.95Å; L91-F95 HydrophobicContact CD1-CD2 4.27Å; L91-F95 HydrophobicContact CD1-CE2 3.95Å; L91-F95 HydrophobicContact CG-CD2 4.37Å; L91-F95 HydrophobicContact CG-CE2 4.34Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.72Å
92A93.1Very high89.3Confident2 Ų260.1 Ų60.12%0.01734%0.344CS..Hα-helixtrans-59.3-40.3177.400000112.8I65 A88 A89 S94 F95 G96 L97 V100I65-A92 HydrophobicContact CD1-CB 4.12Å; A88-A92 WeakPolarHBondContact O-CB 3.44Å; A88-A92 PolarHBondContact O-N 2.93Å; A88-A92 VanDerWaalsContact O-N 3.09Å; A89-A92 PolarHBondContact O-N 3.49Å; A89-A92 VanDerWaalsContact O-N 3.09Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.41Å; A92-F95 PolarHBondContact O-N 3.27Å; A92-G96 PolarHBondContact O-N 3.06Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 PolarHBondContact O-N 3.43Å; A92-V100 HydrophobicContact CB-CB 4.4Å; A92-V100 HydrophobicContact CB-CG2 3.94Å
93D92.1Very high89Confident57 Ų5758 Ų5831%0.30533%0.333SS..Hα-helixtrans-62-38.3175.3-103.6-28.3000112.8R48 A89 A90 L91 F95 G96R48-D93 IonicContact CZ-OD1 2.66Å; R48-D93 IonicContact NH2-OD1 3.86Å; R48-D93 PolarHBondContact NH2-OD1 3.05Å; A89-D93 PolarHBondContact O-N 3.47Å; A90-D93 PolarHBondContact O-N 3.39Å; L91-D93 VanDerWaalsContact C-N 3.3Å; L91-D93 PolarHBondContact O-N 2.82Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-G96 PolarHBondContact O-N 3.29Å
94S91.3Very high88.6Confident49 Ų4962.5 Ų62.534%0.34335%0.349SS..Hα-helixtrans-66.7-34.5176.8750000113L47 A90 L91 A92 G96L47-S94 WeakPolarHBondContact CD1-O 3.43Å; A90-S94 WeakPolarHBondContact O-CB 3.33Å; A90-S94 PolarHBondContact O-N 2.9Å; L91-S94 PolarHBondContact O-N 2.92Å; L91-S94 VanDerWaalsContact O-N 3.14Å; L91-S94 PolarHBondContact O-OG 2.95Å; A92-S94 VanDerWaalsContact C-N 3.33Å; A92-S94 PolarHBondContact O-N 3.41Å; S94-G96 PolarHBondContact O-N 3.29Å
95F91Very high88.1Confident74 Ų7456.4 Ų56.433%0.32532%0.32SS..THydrogen-bonded Turntrans-73.8-8.7170.8-85-87.2000113.1L51 S64 I65 L91 A92 D93L51-F95 VanDerWaalsContact CD1-O 3.27Å; L51-F95 WeakPolarHBondContact CD1-O 3.49Å; S64-F95 WeakPolarHBondContact OG-CE1 3.14Å; I65-F95 HydrophobicContact CD1-CB 4.1Å; I65-F95 HydrophobicContact CD1-CD2 3.89Å; I65-F95 HydrophobicContact CD1-CG 4.08Å; I65-F95 HydrophobicContact CG1-CD2 3.63Å; I65-F95 HydrophobicContact CG1-CE2 3.88Å; I65-F95 HydrophobicContact CG1-CG 4.04Å; I65-F95 HydrophobicContact CG1-CZ 4.49Å; L91-F95 HydrophobicContact CD1-CD2 4.27Å; L91-F95 HydrophobicContact CD1-CE2 3.95Å; L91-F95 HydrophobicContact CG-CD2 4.37Å; L91-F95 HydrophobicContact CG-CE2 4.34Å; L91-F95 WeakPolarHBondContact O-CD2 3.42Å; L91-F95 PolarHBondContact O-N 2.72Å; A92-F95 PolarHBondContact O-N 3.27Å; D93-F95 VanDerWaalsContact C-N 3.35Å
96G92.4Very high87.3Confident4 Ų456.1 Ų56.14%0.04131%0.31CS..THydrogen-bonded Turntrans81.814.6-177.800000114.5R48 A92 D93 S94R48-G96 WeakPolarHBondContact CG-O 3.36Å; A92-G96 PolarHBondContact O-N 3.06Å; D93-G96 PolarHBondContact O-N 3.29Å; S94-G96 PolarHBondContact O-N 3.29Å
97L91.6Very high86.2Confident7 Ų757.7 Ų57.74%0.03732%0.319CS..  trans-82.3142.8173.7-69.7168.5000110.6L51 K58 A61 Q62 I65 A92L51-L97 HydrophobicContact CD1-CD2 4Å; L51-L97 HydrophobicContact CD1-CG 4.2Å; K58-L97 HydrophobicContact CG-CD2 3.92Å; A61-L97 HydrophobicContact CB-CD1 4.14Å; A61-L97 HydrophobicContact CB-CD2 4.34Å; A61-L97 HydrophobicContact CB-CG 4.28Å; Q62-L97 HydrophobicContact CG-CD1 3.92Å; Q62-L97 HydrophobicContact CG-CD2 4.15Å; I65-L97 HydrophobicContact CD1-CD1 3.62Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 PolarHBondContact O-N 3.43Å
98V87.8Confident84.8Confident142 Ų14258 Ų5886%0.86132%0.316SS*.SBendtrans-83.4-20.2177.9-178.20000112.3
99S87.9Confident83.1Confident91 Ų9159.8 Ų59.864%0.63632%0.318SS*.SBendtrans-139139.4-177.5178.90000110
100V89.8Confident81.3Confident64 Ų6460.4 Ų60.439%0.38832%0.323SS..  trans-69.5127.6179.6-174.50000109.7A88 A89 A92A88-V100 HydrophobicContact CB-CG1 3.99Å; A89-V100 HydrophobicContact CB-CG2 4.26Å; A92-V100 HydrophobicContact CB-CB 4.4Å; A92-V100 HydrophobicContact CB-CG2 3.94Å
101P89.2Confident79.5Confident15 Ų1565.2 Ų65.210%0.09734%0.335CS..  trans-66.6139.8175.627.2-33.3000111.2Q62 I65 V66 V103Q62-P101 HydrophobicContact CB-CB 4.14Å; Q62-P101 HydrophobicContact CG-CB 4.2Å; I65-P101 HydrophobicContact CB-CG 3.97Å; I65-P101 HydrophobicContact CD1-CG 4.2Å; I65-P101 HydrophobicContact CG2-CG 3.76Å; V66-P101 HydrophobicContact CG2-CB 4.34Å; V66-P101 HydrophobicContact CG2-CG 4.46Å; P101-V103 PolarHBondContact O-N 3.06Å; P101-V103 VanDerWaalsContact O-N 3.17Å
102R83.1Confident77.7Confident202 Ų20272.5 Ų72.576%0.76237%0.365SS*.  trans-75.2107.2-175.1-176.2176.9175.7-167.8-3.6112.5R104R102-R104 PolarHBondContact O-N 3.14Å
103V83.1Confident75.4Confident15 Ų1577.3 Ų77.39%0.09140%0.399CS..  trans-82.9107179.8-172.30000111.5V66 L69 P101 F105 L106V66-V103 HydrophobicContact CG2-CG2 4.47Å; L69-V103 HydrophobicContact CD1-CG2 3.81Å; P101-V103 PolarHBondContact O-N 3.06Å; P101-V103 VanDerWaalsContact O-N 3.17Å; V103-F105 HydrophobicContact CG1-CD1 3.61Å; V103-F105 HydrophobicContact CG1-CD2 4.16Å; V103-F105 HydrophobicContact CG1-CE1 3.21Å; V103-F105 HydrophobicContact CG1-CE2 3.79Å; V103-F105 HydrophobicContact CG1-CG 4.06Å; V103-F105 HydrophobicContact CG1-CZ 3.29Å; V103-F105 PolarHBondContact O-N 3.1Å; V103-L106 HydrophobicContact CB-CD1 4.11Å; V103-L106 HydrophobicContact CG1-CD1 3.91Å; V103-L106 HydrophobicContact CG1-CG 4.19Å
104R78.1Confident72.8Confident107 Ų10777 Ų7740%0.40441%0.409SS..THydrogen-bonded Turntrans-68.5-33-174.8-64.7-174.7-173.1-167.35114.2R102 I137 D138R102-R104 PolarHBondContact O-N 3.14Å; R104-I137 PolarHBondContact NH2-O 3.41Å; R104-D138 IonicContact CZ-OD1 2.66Å; R104-D138 IonicContact NH1-OD1 3.27Å; R104-D138 PolarHBondContact NH1-OD1 3.44Å; R104-D138 IonicContact NH2-OD1 2.8Å; R104-D138 PolarHBondContact NH2-OD1 3.17Å
105F74.1Confident70.1Confident15 Ų1583.5 Ų83.57%0.06643%0.434CS..THydrogen-bonded Turntrans-76.4-30.4-170.760.8-99.8000114.7V66 L69 R70 Y73 V103 N107 K108V66-F105 HydrophobicContact CG1-CE1 4.27Å; L69-F105 HydrophobicContact CB-CZ 3.98Å; R70-F105 HydrophobicContact CB-CE1 3.77Å; R70-F105 HydrophobicContact CB-CZ 3.89Å; R70-F105 HydrophobicContact CG-CE1 4.49Å; Y73-F105 HydrophobicContact CD1-CD2 4.44Å; Y73-F105 HydrophobicContact CD2-CD2 4.35Å; Y73-F105 HydrophobicContact CD2-CE2 4.43Å; Y73-F105 HydrophobicContact CG-CD2 4.15Å; Y73-F105 HydrophobicContact CG-CE2 4.12Å; V103-F105 HydrophobicContact CG1-CD1 3.61Å; V103-F105 HydrophobicContact CG1-CD2 4.16Å; V103-F105 HydrophobicContact CG1-CE1 3.21Å; V103-F105 HydrophobicContact CG1-CE2 3.79Å; V103-F105 HydrophobicContact CG1-CG 4.06Å; V103-F105 HydrophobicContact CG1-CZ 3.29Å; V103-F105 PolarHBondContact O-N 3.1Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 3.17Å; F105-K108 VanDerWaalsContact O-CB 3.23Å; F105-K108 WeakPolarHBondContact O-CB 3.29Å; F105-K108 PolarHBondContact O-N 3.41Å; F105-K108 VanDerWaalsContact O-N 3.07Å
106L70.1Confident67.8Low52 Ų5289.9 Ų89.927%0.27246%0.462SS..Hα-helixtrans-58.1-46.2174.7-81164.9000111.1V83 V103 K108 K109V83-L106 HydrophobicContact CB-CD2 4.45Å; V83-L106 HydrophobicContact CG1-CD1 4.39Å; V83-L106 HydrophobicContact CG1-CD2 3.85Å; V103-L106 HydrophobicContact CB-CD1 4.11Å; V103-L106 HydrophobicContact CG1-CD1 3.91Å; V103-L106 HydrophobicContact CG1-CG 4.19Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact O-N 3.14Å; L106-K109 VanDerWaalsContact O-CB 3.29Å; L106-K109 WeakPolarHBondContact O-CB 3.23Å; L106-K109 PolarHBondContact O-N 3.2Å
107N63.3Low65.2Low66 Ų6696.6 Ų96.635%0.35350%0.496SS..Hα-helixtrans-66.2-17.4178.6-57.429.9000113F105 K111F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 3.17Å; N107-K111 WeakPolarHBondContact O-CG 3.47Å; N107-K111 PolarHBondContact O-N 2.92Å
108K61Low62.5Low103 Ų103104.7 Ų104.745%0.44854%0.535SS..Hα-helixtrans-77.5-23.8176.5-154.8173.3-172.9177.90111.8F105 L106 K112 E142F105-K108 VanDerWaalsContact O-CB 3.23Å; F105-K108 WeakPolarHBondContact O-CB 3.29Å; F105-K108 PolarHBondContact O-N 3.41Å; F105-K108 VanDerWaalsContact O-N 3.07Å; L106-K108 PolarHBondContact O-N 2.89Å; L106-K108 VanDerWaalsContact O-N 3.14Å; K108-K112 WeakPolarHBondContact O-CG 3.49Å; K108-E142 IonicContact NZ-OE2 2.78Å; K108-E142 PolarHBondContact NZ-OE2 3.26Å
109K52.7Low60Low70 Ų70104.1 Ų104.130%0.30452%0.524SS..Hα-helixtrans-73.2-53.5173.2-136.9-169.6-179.1-1690110Y73 E84 L106 K111 K112 S113Y73-K109 HydrophobicContact CE2-CD 4.1Å; E84-K109 IonicContact OE1-NZ 2.83Å; E84-K109 PolarHBondContact OE1-NZ 3.41Å; L106-K109 VanDerWaalsContact O-CB 3.29Å; L106-K109 WeakPolarHBondContact O-CB 3.23Å; L106-K109 PolarHBondContact O-N 3.2Å; K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.48Å; K109-K112 PolarHBondContact O-N 3.07Å; K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 2.77Å
110A52.1Low57.5Low60 Ų60108.5 Ų108.550%0.49653%0.531SS..Hα-helixtrans-53.1-40.8177.200000112.7K112A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.83Å
111K54.4Low54.8Low149 Ų149114.8 Ų114.865%0.64856%0.556SS**Hα-helixtrans-74.9-6.3177-70.7-178.7179.8-1750115.8N107 K109N107-K111 WeakPolarHBondContact O-CG 3.47Å; N107-K111 PolarHBondContact O-N 2.92Å; K109-K111 VanDerWaalsContact C-N 3.25Å; K109-K111 PolarHBondContact O-N 3.48Å
112K53.5Low52.1Low178 Ų178121 Ų12177%0.77459%0.593SS**Hα-helixtrans-111.1-20178.5-79.6-174.2174.6-171.80113.7K108 K109 A110K108-K112 WeakPolarHBondContact O-CG 3.49Å; K109-K112 PolarHBondContact O-N 3.07Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 PolarHBondContact O-N 2.83Å
113S45.3Very low49.9Very low104 Ų104118.5 Ų118.573%0.72759%0.588SS**Hα-helixtrans-101-10-174.456.90000115.1K109K109-S113 PolarHBondContact O-N 2.75Å; K109-S113 VanDerWaalsContact O-N 3.1Å; K109-S113 PolarHBondContact O-OG 2.77Å
114G36.9Very low47.4Very low50 Ų50126.3 Ų126.352%0.51562%0.624SS.*SBendtrans-161153.2-174.500000114.3
115E34.5Very low45.1Very low185 Ų185130.9 Ų130.986%0.86465%0.649SS**  trans-59.5169.9-170.5-66.5161.9100.100116.7L117E115-L117 PolarHBondContact O-N 3.21Å
116K43.5Very low43.4Very low209 Ų209138.6 Ų138.691%0.90969%0.686SS**SBendtrans-58.793.3163.3-66.7168.9178.8166.60110.8
117L38.2Very low41.8Very low145 Ų145143 Ų14376%0.75971%0.705SS**  trans-162.3140.2154.9-100.6140.9000109.9E115E115-L117 PolarHBondContact O-N 3.21Å
118M34.3Very low40.5Very low176 Ų176149.3 Ų149.387%0.86773%0.732SS**  trans66.159.1165.7-54.3178.3-177.900118.8
119E34.9Very low39.4Very low131 Ų131148.8 Ų148.861%0.61275%0.747SS**  trans-11873.5146.7-90.6-165175.100109.2
120K36.2Very low38.7Very low183 Ų183148.2 Ų148.280%0.79675%0.752SS**  trans-155.227.3173.1-133.8-165.9177.4-148.60118.9
121E32.3Very low37.9Very low195 Ų195153.7 Ų153.791%0.91177%0.772SS**SBendtrans-131.79.1177.7-66.9-169.3159.400115.6
122V32.6Very low37Very low145 Ų145153.1 Ų153.188%0.87978%0.78SS**SBendtrans-129.346.4177.6-160.10000111.7
123K35.6Very low36.2Very low150 Ų150147.2 Ų147.265%0.65277%0.77SS**SBendtrans-140.97-176.8-94.4-174.2-176.5162.30116.5
124E31.6Very low35.9Very low180 Ų180149.8 Ų149.884%0.84177%0.768SS**SBendtrans-1094-175.3-62.7-168.8168.300114.2
125E30.7Very low35.9Very low202 Ų202153.5 Ų153.594%0.94477%0.77SS**SBendtrans-111-7.3179.3-64.1-167157.300115.9
126E37.6Very low36.5Very low178 Ų178148.1 Ų148.183%0.83276%0.758SS**SBendtrans-110.4-0.1-177.6-70-166.3158.200115.8
127E36.6Very low36.7Very low145 Ų145141.4 Ų141.468%0.67873%0.731SS**G310 helixtrans-83.4-10.4-172.1-64.5-146142.400115.7A129E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.05Å
128E36.3Very low36.9Very low198 Ų198139.5 Ų139.593%0.92572%0.722SS**G310 helixtrans-842.6179.8-69.5-64.816300114.8
129A38Very low37.8Very low91 Ų91133.8 Ų133.875%0.75269%0.693SS**G310 helixtrans-109.64.4-17900000114.9E127 L131E127-A129 VanDerWaalsContact C-N 3.33Å; E127-A129 PolarHBondContact O-N 3.05Å; A129-L131 PolarHBondContact O-N 3.48Å
130S37.9Very low38.1Very low58 Ų58134.2 Ų134.241%0.40670%0.7SS.*  trans-102.276-170.481.20000115.7K134S130-K134 PolarHBondContact OG-NZ 2.92Å
131L35.8Very low38.7Very low175 Ų175132.2 Ų132.292%0.91670%0.698SS**SBendtrans-12511159.3-146.8120.1000114.2A129A129-L131 PolarHBondContact O-N 3.48Å
132V33.7Very low39.7Very low137 Ų137127.1 Ų127.183%0.8367%0.674SS**SBendtrans-119118.3173.5-177.80000109.8K134V132-K134 PolarHBondContact O-N 2.99Å
133G37.2Very low40.3Very low54 Ų54126.9 Ų126.956%0.55767%0.667SS**  trans24.485.2166.100000118.9F135G133-F135 VanDerWaalsContact C-N 3.27Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; G133-F135 PolarHBondContact O-N 3.35Å
134K40.4Very low40.9Very low159 Ų159126 Ų12669%0.69167%0.669SS**  trans-71.882.5160.5-82172.8169.7158.10109.6S130 V132 A136S130-K134 PolarHBondContact OG-NZ 2.92Å; V132-K134 PolarHBondContact O-N 2.99Å; K134-A136 PolarHBondContact O-N 3.4Å
135F36.1Very low41.3Very low127 Ų127126.5 Ų126.556%0.55767%0.668SS**  trans-69.577.3167.8-73.4-89.7000110.1G133 I137G133-F135 VanDerWaalsContact C-N 3.27Å; G133-F135 WeakPolarHBondContact O-CD2 3.4Å; G133-F135 PolarHBondContact O-N 3.35Å; F135-I137 PolarHBondContact O-N 3.26Å
136A46.4Very low41.9Very low73 Ų73121.3 Ų121.360%0.60365%0.651SS**  trans-75.9103.3165.800000108K134 D138K134-A136 PolarHBondContact O-N 3.4Å; A136-D138 PolarHBondContact O-N 2.92Å; A136-D138 VanDerWaalsContact O-N 3.11Å
137I48.4Very low41.9Very low67 Ų67119.6 Ų119.634%0.34465%0.652SS.*  trans-61.8113.8166.6-59.2167.7000106.1K63 R104 F135 E139K63-I137 HydrophobicContact CG-CD1 3.84Å; R104-I137 PolarHBondContact NH2-O 3.41Å; F135-I137 PolarHBondContact O-N 3.26Å; I137-E139 HydrophobicContact CG2-CG 4.28Å
138D41.4Very low42.4Very low105 Ų105120.8 Ų120.856%0.56166%0.655SS**  trans-90.4110.1175-104.1-21.2000109.2R104 A136 D140R104-D138 IonicContact CZ-OD1 2.66Å; R104-D138 IonicContact NH1-OD1 3.27Å; R104-D138 PolarHBondContact NH1-OD1 3.44Å; R104-D138 IonicContact NH2-OD1 2.8Å; R104-D138 PolarHBondContact NH2-OD1 3.17Å; A136-D138 PolarHBondContact O-N 2.92Å; A136-D138 VanDerWaalsContact O-N 3.11Å; D138-D140 PolarHBondContact O-N 3.46Å
139E53.1Low42.4Very low57 Ų57120.3 Ų120.327%0.26665%0.65SS.*  trans-93.276.1175.4-63.7-178.8128.200108.5R70 I137 D141R70-E139 IonicContact CZ-OE1 3.2Å; R70-E139 IonicContact CZ-OE2 2.75Å; R70-E139 IonicContact NH1-OE1 2.57Å; R70-E139 PolarHBondContact NH1-OE1 3.36Å; R70-E139 IonicContact NH2-OE1 2.71Å; R70-E139 PolarHBondContact NH2-OE1 3.34Å; R70-E139 IonicContact NH2-OE2 2.77Å; R70-E139 PolarHBondContact NH2-OE2 2.94Å; I137-E139 HydrophobicContact CG2-CG 4.28Å; E139-D141 PolarHBondContact O-N 2.86Å
140D42.2Very low42.3Very low140 Ų140122 Ų12275%0.74965%0.653SS**THydrogen-bonded Turntrans-74.83.9-178.4-90.8-22.2000114.1D138D138-D140 PolarHBondContact O-N 3.46Å
141D47.9Very low42Very low141 Ų141126 Ų12675%0.75468%0.675SS**THydrogen-bonded Turntrans-89.41.4-176-65.2-47.7000115E139 D143 I144E139-D141 PolarHBondContact O-N 2.86Å; D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D143 PolarHBondContact O-N 3.11Å; D141-I144 WeakPolarHBondContact O-CG2 3.43Å
142E53.2Low41.7Very low88 Ų88120.7 Ų120.741%0.41166%0.663SS.*THydrogen-bonded Turntrans-74.5-8.2-174-81.3-159.7170.200116.1K108K108-E142 IonicContact NZ-OE2 2.78Å; K108-E142 PolarHBondContact NZ-OE2 3.26Å
143D46.2Very low41.5Very low139 Ų139123.3 Ų123.374%0.74367%0.666SS**THydrogen-bonded Turntrans-96.4-1.5-177.7-93.2-20.2000114.6D141D141-D143 VanDerWaalsContact C-N 3.33Å; D141-D143 PolarHBondContact O-N 3.11Å
144I48.1Very low41.5Very low133 Ų133126.4 Ų126.468%0.68268%0.676SS**SBendtrans-83-18.4-176.1-163.1169.7000115D141D141-I144 WeakPolarHBondContact O-CG2 3.43Å
145F41.2Very low41.1Very low190 Ų190128.3 Ų128.383%0.83369%0.688SS**SBendtrans-116.58.9-173-82-68000117.1
146T42.8Very low40.9Very low93 Ų93130.5 Ų130.557%0.57170%0.7SS**  trans-128.893.6172.464.60000113.6K148T146-K148 PolarHBondContact O-N 2.96Å
147V37.8Very low40.1Very low142 Ų142134.5 Ų134.586%0.86171%0.709SS**  trans-65.898.9167.5-178.30000109.3K149V147-K149 PolarHBondContact O-N 2.71Å
148K46.1Very low39.3Very low169 Ų169140.4 Ų140.474%0.73573%0.732SS**  trans-70.1108.6170.6-75171.3-178.4153.20109.4T146 P150T146-K148 PolarHBondContact O-N 2.96Å; K148-P150 WeakPolarHBondContact O-CD 3.42Å
149K36.1Very low38.6Very low188 Ų188143.9 Ų143.982%0.81775%0.745SS**  trans-68.4120.5164.4-66.1-176.7177.8-175.10109V147 T151V147-K149 PolarHBondContact O-N 2.71Å; K149-T151 PolarHBondContact O-N 2.57Å
150P37Very low37.7Very low127 Ų127150.9 Ų150.983%0.82578%0.778SS**  trans-92.489.5175.634.4-28.4000110.1K148 G152K148-P150 WeakPolarHBondContact O-CD 3.42Å; P150-G152 PolarHBondContact O-N 3.4Å
151T30.2Very low37.1Very low141 Ų141153.3 Ų153.387%0.86579%0.785SS**  trans-76.5117.4158.9-19.90000107K149K149-T151 PolarHBondContact O-N 2.57Å
152G30.7Very low36.1Very low65 Ų65151.2 Ų151.267%0.6779%0.788SS**  trans-100.6152.3177.900000111.6P150P150-G152 PolarHBondContact O-N 3.4Å
153E29.8Very low35Very low192 Ų192151.5 Ų151.590%0.89781%0.805SS**  trans-158.9140.9140.5-112.6167.5-147.500109.2
154P36.4Very low34.4Very low118 Ų118151.5 Ų151.577%0.76680%0.8SS**PPolyproline II helixtrans-101.9121-176.135.3-29.4000112.7
155E33.1Very low33.7Very low199 Ų199153 Ų15393%0.9380%0.802SS**PPolyproline II helixtrans-94.7157.5170-71.1-159.3143.900113.5
156Q31.4Very low33.2Very low174 Ų174151.9 Ų151.981%0.81380%0.803SS**PPolyproline II helixtrans-97.1148.7-150-63.3160.7600113.5
157I29.4Very low32.7Very low157 Ų157151.3 Ų151.381%0.80580%0.803SS**PPolyproline II helixtrans-82133.7168.5-61167.3000108.5E159I157-E159 HydrophobicContact CG2-CG 4.49Å
158K31.2Very low32.3Very low190 Ų190152.1 Ų152.183%0.82680%0.802SS**  trans-121.5125.6162.1-73.6-173.8176.5-178.40109.7
159E27.6Very low31.6Very low178 Ų178151.2 Ų151.283%0.83280%0.804SS**  trans-99.4145164.8-64.3178137.500108.2I157I157-E159 HydrophobicContact CG2-CG 4.49Å
160E33.8Very low31.3Very low204 Ų204148.2 Ų148.295%0.95380%0.802SS**  trans-154.1147.6159.6-115.1167.9-140.100109.1
161E28.8Very low31.1Very low191 Ų191149.5 Ų149.589%0.89380%0.8SS**  trans-103.5167.8-159-60.8-173.311700115.5
162A27.2Very low31.3Very low98 Ų98147.8 Ų147.881%0.8179%0.794SS**  trans16134.8153.200000120
163A29.6Very low31.5Very low94 Ų94154.5 Ų154.578%0.77780%0.804SS**  175.2172.158.700000110.8
164E34.9Very low32.1Very low138 Ų138152 Ų15265%0.64580%0.802SS**  cis-167.4138.2-32.6-98-14912900110.9
165K33.2Very low32.8Very low164 Ų164155.4 Ų155.471%0.71381%0.805SS**  trans66.1146.2154.5-60.2161.9-174149.40117.1
166I29.8Very low33.6Very low167 Ų167151.5 Ų151.586%0.85680%0.797SS**  -145.3165.656.4-76.8163.5000112.6
167S32.8Very low34.5Very low82 Ų82151.6 Ų151.657%0.57380%0.802SS**  trans-76.8154.4-166.253.60000118.8
168N30Very low36Very low159 Ų159153.6 Ų153.685%0.8581%0.805SS**  -159.8165.4110.9-93-16.3000112.5
169I30.7Very low37.8Very low150 Ų150153.8 Ų153.877%0.76981%0.806SS**  trans-119.8135.7-151.8-67159.4000113
170T30.8Very low39.6Very low125 Ų125150 Ų15077%0.76781%0.805SS**  trans-156.2115.3142.440.10000112.8
171I31.7Very low41.3Very low153 Ų153144 Ų14479%0.78578%0.782SS**  trans44.9127.3132.8-50.1168.3000118.5
172S35.2Very low43.7Very low105 Ų105139.4 Ų139.473%0.73477%0.767SS**  cis-162.8139.6-10.852.30000110
173K34.8Very low46.3Very low206 Ų206144.1 Ų144.190%0.89677%0.77SS**PPolyproline II helixtrans-81.9123.9-176.1-65.1170.7179.9174.10112.4
174T41.8Very low48.7Very low139 Ų139144.2 Ų144.285%0.85376%0.761SS**PPolyproline II helixtrans-73.8148.3160.249.30000110.1
175K51Low50.9Low190 Ų190139.7 Ų139.783%0.82674%0.744SS**PPolyproline II helixtrans-82.9142.9-162.9-63.9156.1-175162.70111L177K175-L177 PolarHBondContact O-N 3.23Å
176P50.1Low53.2Low118 Ų118133.8 Ų133.877%0.76673%0.726SS**PPolyproline II helixtrans-62.8132.7168.327.5-33.5000109.8K178P176-K178 PolarHBondContact O-N 2.96Å
177L50.9Low55.4Low175 Ų175128.2 Ų128.292%0.91670%0.704SS**PPolyproline II helixtrans-54.6121176.7-78.4154.7000109.9K175 K179K175-L177 PolarHBondContact O-N 3.23Å; L177-K179 PolarHBondContact O-N 3.29Å
178K59.9Low57.7Low199 Ų199130.7 Ų130.787%0.86571%0.705SS**PPolyproline II helixtrans-68.6116-177.8-65.7177-177.2174.40108.6P176 A180P176-K178 PolarHBondContact O-N 2.96Å; K178-A180 PolarHBondContact O-N 3.14Å
179K69.2Low60.1Low194 Ų194128.7 Ų128.784%0.84369%0.689SS**  trans-45.5128.8175.6-62.8179.1-179.5-179.70110.4L177 V181L177-K179 PolarHBondContact O-N 3.29Å; K179-V181 PolarHBondContact O-N 3.33Å
180A66.4Low62.2Low99 Ų99125.7 Ų125.782%0.81867%0.673SS**  trans-53.9123-179.200000110.5K178 T182K178-A180 PolarHBondContact O-N 3.14Å; A180-T182 PolarHBondContact O-N 3.05Å
181V68.8Low64.1Low77 Ų77126.1 Ų126.147%0.46767%0.67SS.*  trans-79.6111.2-175.7179.70000108.1K179 A186K179-V181 PolarHBondContact O-N 3.33Å; V181-A186 HydrophobicContact CG1-CB 3.97Å
182T78.9Confident66.2Low95 Ų95125.5 Ų125.558%0.58367%0.668SS**  trans-57.5148.8174.758.40000110.9A180 V184 S185 A186A180-T182 PolarHBondContact O-N 3.05Å; T182-V184 PolarHBondContact O-N 3.41Å; T182-S185 WeakPolarHBondContact O-CA 3.28Å; T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-S185 WeakPolarHBondContact OG1-CB 3.38Å; T182-A186 PolarHBondContact O-N 2.94Å
183K82.4Confident68.3Low197 Ų197128.5 Ų128.586%0.85767%0.668SS**Hα-helixtrans-49.2-39.3-177.4-63.7-178.8179.2179.90112.6A186 A187K183-A186 PolarHBondContact O-N 3.3Å; K183-A187 PolarHBondContact O-N 3.42Å
184V78.7Confident69.9Low97 Ų97127.9 Ų127.959%0.58867%0.666SS**Hα-helixtrans-64.7-39.3175.5-177.50000113.1T182 K188T182-V184 PolarHBondContact O-N 3.41Å; V184-K188 WeakPolarHBondContact O-CG 3.44Å; V184-K188 PolarHBondContact O-N 3Å
185S81.4Confident71Confident43 Ų43126.7 Ų126.730%0.30165%0.654SS.*Hα-helixtrans-71.7-34.1178.2-176.10000112T182 K189T182-S185 WeakPolarHBondContact O-CA 3.28Å; T182-S185 WeakPolarHBondContact O-CB 3.45Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-S185 WeakPolarHBondContact OG1-CB 3.38Å; S185-K189 WeakPolarHBondContact O-CG 3.46Å; S185-K189 PolarHBondContact O-N 2.78Å; S185-K189 VanDerWaalsContact O-N 3.16Å
186A81.7Confident71.6Confident40 Ų40123.4 Ų123.433%0.33164%0.639SS.*Hα-helixtrans-65.5-49.7171.800000111.3V181 T182 K183 K188 K189 I190V181-A186 HydrophobicContact CG1-CB 3.97Å; T182-A186 PolarHBondContact O-N 2.94Å; K183-A186 PolarHBondContact O-N 3.3Å; A186-K188 PolarHBondContact O-N 2.94Å; A186-K189 WeakPolarHBondContact O-CB 3.33Å; A186-K189 PolarHBondContact O-N 2.99Å; A186-K189 VanDerWaalsContact O-N 3.1Å; A186-I190 WeakPolarHBondContact O-CG1 3.34Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å
187A75.5Confident72.4Confident49 Ų49123.1 Ų123.141%0.40564%0.635SS.*Hα-helixtrans-57.4-45.9177.600000112.7K183 K189 I190 L191K183-A187 PolarHBondContact O-N 3.42Å; A187-K189 VanDerWaalsContact C-N 3.31Å; A187-K189 PolarHBondContact O-N 3.41Å; A187-I190 PolarHBondContact O-N 2.75Å; A187-I190 VanDerWaalsContact O-N 3.16Å; A187-L191 PolarHBondContact O-N 2.92Å
188K81.8Confident72.7Confident134 Ų134122.7 Ų122.758%0.58363%0.633SS**Hα-helixtrans-60.9-36.5175.3-75-176.9177.7-173.50113.1V184 A186 N192V184-K188 WeakPolarHBondContact O-CG 3.44Å; V184-K188 PolarHBondContact O-N 3Å; A186-K188 PolarHBondContact O-N 2.94Å; K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 VanDerWaalsContact O-CG 3.24Å; K188-N192 PolarHBondContact O-N 2.93Å; K188-N192 PolarHBondContact O-OD1 2.94Å
189K79.5Confident72.9Confident117 Ų117116.4 Ų116.451%0.50961%0.612SS.*Hα-helixtrans-69.2-31.2175.9-77173.8-179.7177.20113.1S185 A186 A187 K193S185-K189 WeakPolarHBondContact O-CG 3.46Å; S185-K189 PolarHBondContact O-N 2.78Å; S185-K189 VanDerWaalsContact O-N 3.16Å; A186-K189 WeakPolarHBondContact O-CB 3.33Å; A186-K189 PolarHBondContact O-N 2.99Å; A186-K189 VanDerWaalsContact O-N 3.1Å; A187-K189 VanDerWaalsContact C-N 3.31Å; A187-K189 PolarHBondContact O-N 3.41Å; K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 WeakPolarHBondContact O-CG 3.31Å; K189-K193 PolarHBondContact O-N 3.21Å
190I74.8Confident72.3Confident88 Ų88116.1 Ų116.145%0.45161%0.611SS.*Hα-helixtrans-71.8-47.1176-64.4162.4000109.7A186 A187 K193 K194A186-I190 WeakPolarHBondContact O-CG1 3.34Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å; A187-I190 PolarHBondContact O-N 2.75Å; A187-I190 VanDerWaalsContact O-N 3.16Å; I190-K193 PolarHBondContact O-N 3.02Å; I190-K193 VanDerWaalsContact O-N 3.17Å; I190-K194 PolarHBondContact O-N 3.17Å
191L70.9Confident71.9Confident133 Ų133117 Ų11770%0.69660%0.596SS**Hα-helixtrans-60.3-47.9176.3-68.4172.7000112.5A187 K193 K194A187-L191 PolarHBondContact O-N 2.92Å; L191-K193 PolarHBondContact O-N 3.33Å; L191-K193 VanDerWaalsContact O-N 3.16Å; L191-K194 PolarHBondContact O-N 3.24Å
192N76.8Confident71.1Confident140 Ų140118.8 Ų118.875%0.74961%0.607SS**Hα-helixtrans-64.4-20.3178.7-73.114.1000113.3K188K188-N192 WeakPolarHBondContact O-CB 3.49Å; K188-N192 VanDerWaalsContact O-CG 3.24Å; K188-N192 PolarHBondContact O-N 2.93Å; K188-N192 PolarHBondContact O-OD1 2.94Å
193K79Confident69.4Low169 Ų169122.9 Ų122.974%0.73562%0.617SS**THydrogen-bonded Turntrans-88.2-3.1175.7-77.9-179.2173-162.10113.9K189 I190 L191 L195K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 WeakPolarHBondContact O-CG 3.31Å; K189-K193 PolarHBondContact O-N 3.21Å; I190-K193 PolarHBondContact O-N 3.02Å; I190-K193 VanDerWaalsContact O-N 3.17Å; L191-K193 PolarHBondContact O-N 3.33Å; L191-K193 VanDerWaalsContact O-N 3.16Å; K193-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact O-N 3.09Å
194K69.6Low68.1Low193 Ų193116.5 Ų116.584%0.83961%0.607SS**THydrogen-bonded Turntrans48.334.8-177.7-59.6-175.2178.8-177.60113.5I190 L191 K196I190-K194 PolarHBondContact O-N 3.17Å; L191-K194 PolarHBondContact O-N 3.24Å; K194-K196 PolarHBondContact O-N 3.49Å; K194-K196 VanDerWaalsContact O-N 3.13Å
195L64.6Low66.9Low114 Ų114117.1 Ų117.160%0.59762%0.623SS**  trans-72.3107.7-180-167.578.3000108.7K193 V197K193-L195 PolarHBondContact O-N 3.48Å; K193-L195 VanDerWaalsContact O-N 3.09Å; L195-V197 HydrophobicContact CD2-CG1 4.23Å; L195-V197 PolarHBondContact O-N 3.49Å
196K62.7Low65.5Low121 Ų121123.9 Ų123.953%0.52665%0.65SS.*  trans-59.5125.1167.1-68.3-174.8-175.8179.50107.7K194 E211 L213K194-K196 PolarHBondContact O-N 3.49Å; K194-K196 VanDerWaalsContact O-N 3.13Å; K196-E211 IonicContact NZ-OE2 2.81Å; K196-E211 PolarHBondContact NZ-OE2 2.93Å; K196-L213 HydrophobicContact CD-CD2 4.33Å
197V66.3Low64.2Low111 Ų111130.1 Ų130.167%0.67368%0.678SS**  trans-116.5147.6172.8-74.90000108.3L195L195-V197 HydrophobicContact CD2-CG1 4.23Å; L195-V197 PolarHBondContact O-N 3.49Å
198N58.3Low63.1Low166 Ų166135.4 Ų135.489%0.88870%0.699SS**  trans61.187.6-158-80.17.9000114.1
199T63Low61.5Low68 Ų68136 Ų13642%0.41770%0.704SS.*  trans-130.4128.8147.652.70000107.8
200K58.1Low60.1Low188 Ų188138.2 Ų138.282%0.81772%0.721SS**  trans-103.898.4178.5-177.8-173.4174.9-170.30108.4T202K200-T202 PolarHBondContact O-N 3.07Å
201K58.2Low59.1Low116 Ų116139.3 Ų139.350%0.50472%0.724SS.*  trans-69.9122173.8-65.2-159.5174.1-159.70110.2F203 E209K201-F203 HydrophobicContact CB-CE2 4.01Å; K201-F203 HydrophobicContact CB-CZ 4.22Å; K201-F203 HydrophobicContact CD-CZ 4.08Å; K201-E209 IonicContact NZ-OE1 2.92Å; K201-E209 PolarHBondContact NZ-OE1 3.28Å
202T51.3Low58.1Low115 Ų115141.2 Ų141.271%0.70673%0.729SS**  trans-114118.8166.148.50000108.5K200K200-T202 PolarHBondContact O-N 3.07Å
203F43Very low56.8Low181 Ų181139.5 Ų139.579%0.79472%0.719SS**  trans-89.1114-179-64.2-86.9000110.1K201K201-F203 HydrophobicContact CB-CE2 4.01Å; K201-F203 HydrophobicContact CB-CZ 4.22Å; K201-F203 HydrophobicContact CD-CZ 4.08Å
204G54.5Low55.4Low63 Ų63140.6 Ų140.665%0.64973%0.727SS**  trans-87.4151.2160.800000110E206G204-E206 VanDerWaalsContact C-N 3.28Å; G204-E206 PolarHBondContact O-N 2.77Å
205A53.6Low54.6Low111 Ų111139.1 Ų139.192%0.91772%0.723SS**SBendtrans-86.757-173.800000113.4
206E53.3Low53.9Low184 Ų184136.5 Ų136.586%0.8672%0.724SS**SBendtrans-167.3133.9155.7-109.7169.1168.500107.3G204 D208G204-E206 VanDerWaalsContact C-N 3.28Å; G204-E206 PolarHBondContact O-N 2.77Å; E206-D208 PolarHBondContact O-N 3.42Å; E206-D208 VanDerWaalsContact O-N 3.12Å
207D54.5Low53.3Low171 Ų171137.3 Ų137.391%0.91474%0.741SS**  trans-75.899-162.5-71.7-53.4000113.8
208D50.6Low52.8Low161 Ų161136.2 Ų136.286%0.86174%0.739SS**  trans-138.3108.5156.6-105.5-39.5000109.8E206 L210E206-D208 PolarHBondContact O-N 3.42Å; E206-D208 VanDerWaalsContact O-N 3.12Å; D208-L210 PolarHBondContact O-N 3.03Å
209E48.8Very low52.7Low146 Ų146134.3 Ų134.368%0.68273%0.733SS**  trans-91.895.4-171.5-171.1171.1-144.600112.2K201K201-E209 IonicContact NZ-OE1 2.92Å; K201-E209 PolarHBondContact NZ-OE1 3.28Å
210L51.3Low51.7Low164 Ų164138.6 Ų138.686%0.85975%0.752SS**  trans-98.8114.4173.8-90.3160.1000112.2D208 E212D208-L210 PolarHBondContact O-N 3.03Å; L210-E212 PolarHBondContact O-N 3.28Å
211E52Low51.2Low110 Ų110134.4 Ų134.451%0.51474%0.743SS.*  trans-79.196.4166.8-76.7-159.2158.200110.6K196K196-E211 IonicContact NZ-OE2 2.81Å; K196-E211 PolarHBondContact NZ-OE2 2.93Å
212E50.6Low51.2Low174 Ų174133.6 Ų133.681%0.81375%0.751SS**  trans-80.4122.2169.9-159.4165.1-144.300110.6L210L210-E212 PolarHBondContact O-N 3.28Å
213L50.2Low51.4Low103 Ų103138.9 Ų138.954%0.53976%0.76SS.*  trans-93.1103.6176.1-76.2169000109.4K196 E215K196-L213 HydrophobicContact CD-CD2 4.33Å; L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.47Å
214E48.9Very low52.3Low192 Ų192132.8 Ų132.890%0.89775%0.748SS**  trans-69.885.6166.3-72.6-172.1156.900110.3G216E214-G216 PolarHBondContact O-N 3.2Å
215E52.8Low52.8Low162 Ų162137.9 Ų137.976%0.75776%0.76SS**  trans-68107.9155.9-66.7-164.7166.800107.9L213L213-E215 VanDerWaalsContact C-N 3.28Å; L213-E215 PolarHBondContact O-N 3.47Å
216G49.3Very low54Low60 Ų60138 Ų13862%0.61975%0.745SS**  trans-52.8144.7177.200000111.3E214 S218E214-G216 PolarHBondContact O-N 3.2Å; G216-S218 PolarHBondContact O-N 3.19Å
217P50.9Low55.2Low137 Ų137136 Ų13689%0.8974%0.739SS**  trans-53.9107.5-153.118.7-33.3000113
218S55Low56.4Low88 Ų88135.2 Ų135.262%0.61573%0.729SS**  trans-67.3137.4165.350.10000109.4G216G216-S218 PolarHBondContact O-N 3.19Å
219T57.4Low58.1Low126 Ų126133.2 Ų133.277%0.77371%0.713SS**  trans61.890.8166.259.30000118.5
220I42.2Very low59.8Low159 Ų159128.2 Ų128.282%0.81570%0.697SS**  trans-127.191.2144.7-95.7173.5000105.4
221T47.5Very low61.4Low100 Ų100128.2 Ų128.261%0.61369%0.685SS**  84.5131.480.258.30000115.3Y223T221-Y223 PolarHBondContact O-N 3.4Å
222S58.2Low63.1Low99 Ų99129.1 Ų129.169%0.69269%0.69SS**SBendtrans60.9-48.3159.360.50000121.4
223Y55.5Low64.9Low225 Ų225126 Ų12688%0.88268%0.675SS**SBendtrans-143.527.3-172.9-52.5-75.3000115T221T221-Y223 PolarHBondContact O-N 3.4Å
224G61.4Low66.6Low53 Ų53126.5 Ų126.555%0.54668%0.677SS.*SBendtrans-111.7150.517700000112.8D226G224-D226 PolarHBondContact O-N 2.9Å
225L64.4Low68.6Low170 Ų170122.5 Ų122.589%0.8966%0.657SS**  trans-55.4120.8180-70.4160000112.1I227L225-I227 PolarHBondContact O-N 2.78Å
226D79.3Confident70.4Confident113 Ų113117 Ų11760%0.60464%0.636SS**  trans-60.6100.7176.3-73.7-42.5000111.3G224 E228 K229 A230G224-D226 PolarHBondContact O-N 2.9Å; D226-E228 PolarHBondContact O-N 2.69Å; D226-K229 HydrophobicContact CB-CB 3.62Å; D226-K229 PolarHBondContact O-N 2.91Å; D226-A230 PolarHBondContact O-N 3.49Å
227I78.4Confident72.4Confident143 Ų143115.3 Ų115.373%0.73362%0.619SS**Hα-helixtrans-56.9-35.9-178.3-59.9171.5000110.9L225 R231L225-I227 PolarHBondContact O-N 2.78Å; I227-R231 WeakPolarHBondContact O-CB 3.23Å; I227-R231 PolarHBondContact O-N 2.82Å
228E80.3Confident74.3Confident154 Ų154114.1 Ų114.172%0.7261%0.605SS**Hα-helixtrans-68.4-40.5176.8-59.3-156.6150.500112.8D226 R231 Q232D226-E228 PolarHBondContact O-N 2.69Å; E228-R231 PolarHBondContact O-N 2.88Å; E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 3.29Å
229K86.5Confident76.1Confident119 Ų119116.5 Ų116.552%0.51760%0.604SS.*Hα-helixtrans-68-47.7178.2-171.5-178.9174.5-174.20110.8D226 R231 Q232 E233D226-K229 HydrophobicContact CB-CB 3.62Å; D226-K229 PolarHBondContact O-N 2.91Å; K229-R231 PolarHBondContact O-N 3.21Å; K229-Q232 WeakPolarHBondContact O-CA 3.48Å; K229-Q232 WeakPolarHBondContact O-CB 3.42Å; K229-Q232 PolarHBondContact O-N 2.85Å; K229-E233 WeakPolarHBondContact CE-OE1 3.29Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.37Å
230A83.1Confident77.9Confident41 Ų41116.1 Ų116.134%0.33959%0.594SS.*Hα-helixtrans-56.5-39.3172.900000111.8D226 Q232 E233 I234D226-A230 PolarHBondContact O-N 3.49Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.45Å; A230-E233 PolarHBondContact O-N 2.79Å; A230-I234 VanDerWaalsContact O-CG1 3.31Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.26Å
231R85.3Confident80.2Confident164 Ų164113.3 Ų113.362%0.61958%0.58SS**Hα-helixtrans-69.7-24.4175.1-170.5179.9-172.9-163.76.6113.6I227 E228 K229 K235I227-R231 WeakPolarHBondContact O-CB 3.23Å; I227-R231 PolarHBondContact O-N 2.82Å; E228-R231 PolarHBondContact O-N 2.88Å; K229-R231 PolarHBondContact O-N 3.21Å; R231-K235 VanDerWaalsContact O-CD 3.28Å; R231-K235 WeakPolarHBondContact O-CD 3.22Å; R231-K235 VanDerWaalsContact O-CG 3.22Å; R231-K235 WeakPolarHBondContact O-CG 3.33Å
232Q88.8Confident82.4Confident130 Ų130117.2 Ų117.261%0.60758%0.584SS**Hα-helixtrans-77.5-44170.2-70.9-179.930.500110.9E228 K229 A230 I234 K235 S236E228-Q232 WeakPolarHBondContact O-CG 3.41Å; E228-Q232 PolarHBondContact O-N 3.29Å; K229-Q232 WeakPolarHBondContact O-CA 3.48Å; K229-Q232 WeakPolarHBondContact O-CB 3.42Å; K229-Q232 PolarHBondContact O-N 2.85Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.45Å; Q232-I234 PolarHBondContact O-N 2.61Å; Q232-K235 CarbonylContact O-C 3.54Å; Q232-K235 WeakPolarHBondContact O-CA 3.35Å; Q232-K235 WeakPolarHBondContact O-CB 3.25Å; Q232-K235 PolarHBondContact O-N 3.03Å; Q232-S236 PolarHBondContact O-N 3.16Å; Q232-S236 PolarHBondContact O-OG 2.94Å
233E87.9Confident84.1Confident108 Ų108119 Ų11951%0.50558%0.579SS.*Hα-helixtrans-61.3-43.3179.2-72.5171.3-174.500112.3K229 A230 K235 S236 G237K229-E233 WeakPolarHBondContact CE-OE1 3.29Å; K229-E233 WeakPolarHBondContact O-CG 3.29Å; K229-E233 PolarHBondContact O-N 3.37Å; A230-E233 PolarHBondContact O-N 2.79Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 3.38Å; E233-S236 WeakPolarHBondContact CA-OG 3.49Å; E233-S236 PolarHBondContact O-N 3.47Å; E233-S236 PolarHBondContact O-OG 3.31Å; E233-G237 PolarHBondContact O-N 3.03Å
234I86.4Confident85.9Confident114 Ų114117 Ų11759%0.58557%0.57SS**Hα-helixtrans-59.9-39.7172.5-67.7166.1000111.1A230 Q232 G237 D238A230-I234 VanDerWaalsContact O-CG1 3.31Å; A230-I234 WeakPolarHBondContact O-CG1 3.36Å; A230-I234 PolarHBondContact O-N 3.26Å; Q232-I234 PolarHBondContact O-N 2.61Å; I234-G237 PolarHBondContact O-N 3.38Å; I234-D238 PolarHBondContact O-N 2.91Å
235K89.8Confident87.3Confident108 Ų108121.2 Ų121.247%0.4757%0.574SS.*Hα-helixtrans-73.4-24.1178.7-72.1171.3-173.3169.80113.7R231 Q232 E233 K239R231-K235 VanDerWaalsContact O-CD 3.28Å; R231-K235 WeakPolarHBondContact O-CD 3.22Å; R231-K235 VanDerWaalsContact O-CG 3.22Å; R231-K235 WeakPolarHBondContact O-CG 3.33Å; Q232-K235 CarbonylContact O-C 3.54Å; Q232-K235 WeakPolarHBondContact O-CA 3.35Å; Q232-K235 WeakPolarHBondContact O-CB 3.25Å; Q232-K235 PolarHBondContact O-N 3.03Å; E233-K235 VanDerWaalsContact C-N 3.29Å; E233-K235 PolarHBondContact O-N 3.38Å; K235-K239 VanDerWaalsContact O-CD 3.3Å; K235-K239 WeakPolarHBondContact O-CD 3.28Å; K235-K239 VanDerWaalsContact O-CG 3.24Å; K235-K239 WeakPolarHBondContact O-CG 3.14Å
236S90.3Very high88.8Confident46 Ų46118.6 Ų118.632%0.32256%0.555SS.*Hα-helixtrans-77.7-43.7169.238.80000110.8Q232 E233 D238 K239 E240Q232-S236 PolarHBondContact O-N 3.16Å; Q232-S236 PolarHBondContact O-OG 2.94Å; E233-S236 WeakPolarHBondContact CA-OG 3.49Å; E233-S236 PolarHBondContact O-N 3.47Å; E233-S236 PolarHBondContact O-OG 3.31Å; S236-D238 PolarHBondContact O-N 2.79Å; S236-K239 WeakPolarHBondContact O-CA 3.21Å; S236-K239 WeakPolarHBondContact O-CB 3.19Å; S236-K239 PolarHBondContact O-N 2.76Å; S236-E240 WeakPolarHBondContact O-CG 3.22Å; S236-E240 PolarHBondContact O-N 3.29Å
237G92.3Very high89.5Confident25 Ų25118 Ų11826%0.25855%0.551SS.*Hα-helixtrans-53.1-53.4173.600000112.4E233 I234 K239 E240 D241E233-G237 PolarHBondContact O-N 3.03Å; I234-G237 PolarHBondContact O-N 3.38Å; G237-K239 PolarHBondContact O-N 3.28Å; G237-K239 VanDerWaalsContact O-N 3.12Å; G237-E240 PolarHBondContact O-N 2.93Å; G237-D241 PolarHBondContact O-N 2.92Å
238D91Very high90.1Very high111 Ų111115 Ų11559%0.59454%0.536SS*.Hα-helixtrans-53.5-35.3175.3-88.6-9000113.5I234 S236 R242I234-D238 PolarHBondContact O-N 2.91Å; S236-D238 PolarHBondContact O-N 2.79Å; D238-R242 WeakPolarHBondContact O-CB 3.14Å; D238-R242 PolarHBondContact O-N 3.29Å
239K92.6Very high90.6Very high139 Ų139116.5 Ų116.560%0.60454%0.535SS*.Hα-helixtrans-75.6-38.5178.1-71.5168.3-172.91730111.4K235 S236 G237 K243K235-K239 VanDerWaalsContact O-CD 3.3Å; K235-K239 WeakPolarHBondContact O-CD 3.28Å; K235-K239 VanDerWaalsContact O-CG 3.24Å; K235-K239 WeakPolarHBondContact O-CG 3.14Å; S236-K239 WeakPolarHBondContact O-CA 3.21Å; S236-K239 WeakPolarHBondContact O-CB 3.19Å; S236-K239 PolarHBondContact O-N 2.76Å; G237-K239 PolarHBondContact O-N 3.28Å; G237-K239 VanDerWaalsContact O-N 3.12Å; K239-K243 VanDerWaalsContact O-CG 3.29Å; K239-K243 WeakPolarHBondContact O-CG 3.28Å; K239-K243 PolarHBondContact O-N 3.11Å
240E93.9Very high91Very high118 Ų118116 Ų11655%0.55154%0.535SS*.Hα-helixtrans-72.6-46.5-179.2-75164.8-153.300111.2S236 G237 R242 K243 R244S236-E240 WeakPolarHBondContact O-CG 3.22Å; S236-E240 PolarHBondContact O-N 3.29Å; G237-E240 PolarHBondContact O-N 2.93Å; E240-R242 VanDerWaalsContact C-N 3.3Å; E240-R242 PolarHBondContact O-N 3.4Å; E240-K243 CarbonylContact O-C 3.58Å; E240-K243 WeakPolarHBondContact O-CA 3.38Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 3.46Å; E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 PolarHBondContact O-N 3.18Å
241D92.4Very high91.4Very high100 Ų100119.6 Ų119.654%0.53555%0.545SS..Hα-helixtrans-59.3-41.7172.6-77.8-24.9000111.5G237 K243 R244 F245G237-D241 PolarHBondContact O-N 2.92Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.19Å; D241-R244 PolarHBondContact O-N 2.78Å; D241-F245 VanDerWaalsContact O-CB 3.28Å; D241-F245 WeakPolarHBondContact O-CB 3.46Å; D241-F245 PolarHBondContact O-N 3.03Å
242R92.6Very high91.7Very high182 Ų182119.5 Ų119.569%0.68754%0.544SS*.Hα-helixtrans-66.3-30.2175.2-171.1175.2-175.8-1620.4113.2D238 E240 K246D238-R242 WeakPolarHBondContact O-CB 3.14Å; D238-R242 PolarHBondContact O-N 3.29Å; E240-R242 VanDerWaalsContact C-N 3.3Å; E240-R242 PolarHBondContact O-N 3.4Å; R242-K246 WeakPolarHBondContact O-CG 3.48Å; R242-K246 PolarHBondContact O-N 3.39Å
243K94.6Very high91.7Very high137 Ų137122 Ų12260%0.59655%0.548SS*.Hα-helixtrans-72.5-49170.9-73.9171-175.2-179.60110.5K239 E240 D241 F245 K246 L247K239-K243 VanDerWaalsContact O-CG 3.29Å; K239-K243 WeakPolarHBondContact O-CG 3.28Å; K239-K243 PolarHBondContact O-N 3.11Å; E240-K243 CarbonylContact O-C 3.58Å; E240-K243 WeakPolarHBondContact O-CA 3.38Å; E240-K243 WeakPolarHBondContact O-CB 3.36Å; E240-K243 PolarHBondContact O-N 3.46Å; D241-K243 VanDerWaalsContact C-N 3.31Å; D241-K243 PolarHBondContact O-N 3.19Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 3.47Å; K243-K246 WeakPolarHBondContact O-CB 3.36Å; K243-K246 PolarHBondContact O-N 3.11Å; K243-K246 VanDerWaalsContact O-N 3.12Å; K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.44Å
244R93.2Very high91.9Very high183 Ų183123.2 Ų123.269%0.69155%0.554SS**Hα-helixtrans-57.9-43.5179.2-171.5179.4-178.3-174.61.8111.9E240 D241 K246 L247 L248E240-R244 WeakPolarHBondContact O-CB 3.45Å; E240-R244 PolarHBondContact O-N 3.18Å; D241-R244 PolarHBondContact O-N 2.78Å; R244-K246 PolarHBondContact O-N 3.47Å; R244-L247 PolarHBondContact O-N 3.3Å; R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.38Å
245F91.3Very high92Very high141 Ų141124.1 Ų124.162%0.61856%0.556SS**Hα-helixtrans-65-36.7176.3-175.4-95.7000113D241 K243 R249D241-F245 VanDerWaalsContact O-CB 3.28Å; D241-F245 WeakPolarHBondContact O-CB 3.46Å; D241-F245 PolarHBondContact O-N 3.03Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 3.47Å; F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 2.84Å; F245-R249 VanDerWaalsContact O-N 3.08Å
246K94.6Very high92Very high115 Ų115126.8 Ų126.850%0.557%0.567SS.*Hα-helixtrans-64.7-50172.4-76.5176.2172.9-165.30111.3R242 K243 R244 L248 R249 E250R242-K246 WeakPolarHBondContact O-CG 3.48Å; R242-K246 PolarHBondContact O-N 3.39Å; K243-K246 WeakPolarHBondContact O-CB 3.36Å; K243-K246 PolarHBondContact O-N 3.11Å; K243-K246 VanDerWaalsContact O-N 3.12Å; R244-K246 PolarHBondContact O-N 3.47Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 2.78Å; K246-R249 WeakPolarHBondContact O-CB 3.48Å; K246-R249 PolarHBondContact O-N 3.4Å; K246-R249 VanDerWaalsContact O-N 3.09Å; K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.2Å
247L94.1Very high91.9Very high99 Ų99128.8 Ų128.852%0.51857%0.574SS.*Hα-helixtrans-58.9-43.9178.6-68.5172.5000111.6K243 R244 R249 E250 Q251K243-L247 WeakPolarHBondContact O-CG 3.27Å; K243-L247 PolarHBondContact O-N 3.44Å; R244-L247 PolarHBondContact O-N 3.3Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.74Å; L247-E250 PolarHBondContact O-N 3.29Å; L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 2.86Å
248L91.6Very high91.8Very high82 Ų82130.4 Ų130.443%0.42959%0.585SS.*Hα-helixtrans-63.6-35.7176.3-172.867.1000112.4R244 K246 R252R244-L248 WeakPolarHBondContact O-CB 3.43Å; R244-L248 PolarHBondContact O-N 3.38Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-L248 PolarHBondContact O-N 2.78Å; L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 3.09Å
249R91.5Very high91.6Very high185 Ų185133 Ų13370%0.69859%0.591SS**Hα-helixtrans-71-35.8175-173.6179.6-177.4-172.51.5112.2F245 K246 L247 R253F245-R249 WeakPolarHBondContact O-CB 3.41Å; F245-R249 PolarHBondContact O-N 2.84Å; F245-R249 VanDerWaalsContact O-N 3.08Å; K246-R249 WeakPolarHBondContact O-CB 3.48Å; K246-R249 PolarHBondContact O-N 3.4Å; K246-R249 VanDerWaalsContact O-N 3.09Å; L247-R249 VanDerWaalsContact C-N 3.31Å; L247-R249 PolarHBondContact O-N 2.74Å; R249-R253 WeakPolarHBondContact O-CB 3.4Å; R249-R253 PolarHBondContact O-N 3.17Å; R249-R253 VanDerWaalsContact O-N 3.13Å
250E93.1Very high91.3Very high107 Ų107133.5 Ų133.550%0.559%0.593SS.*Hα-helixtrans-70.7-44.2175.6-75.3162.5-166.200110.9K246 L247 R253 Q254K246-E250 WeakPolarHBondContact O-CG 3.37Å; K246-E250 PolarHBondContact O-N 3.2Å; L247-E250 PolarHBondContact O-N 3.29Å; E250-R253 CarbonylContact O-C 3.55Å; E250-R253 WeakPolarHBondContact O-CA 3.34Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 3.08Å; E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 3.01Å
251Q92.8Very high90.7Very high118 Ų118132 Ų13255%0.55159%0.589SS**Hα-helixtrans-56.4-51.8170.9-76.5177.5-1900111.6L247 R253 Q254 E255L247-Q251 WeakPolarHBondContact O-CB 3.44Å; L247-Q251 WeakPolarHBondContact O-CG 3.48Å; L247-Q251 PolarHBondContact O-N 2.86Å; Q251-R253 PolarHBondContact O-N 3.2Å; Q251-R253 VanDerWaalsContact O-N 3.14Å; Q251-Q254 CarbonylContact O-C 3.59Å; Q251-Q254 PolarHBondContact O-N 3.13Å; Q251-Q254 VanDerWaalsContact O-N 3.07Å; Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.07Å
252R91Very high90.2Very high161 Ų161134.7 Ų134.761%0.60859%0.591SS**Hα-helixtrans-60.2-24.2175.1-77.8-179.5172.3-172-1.9113.9L248 K256L248-R252 WeakPolarHBondContact O-CB 3.37Å; L248-R252 WeakPolarHBondContact O-CG 3.49Å; L248-R252 PolarHBondContact O-N 3.09Å; R252-K256 VanDerWaalsContact O-CG 3.27Å; R252-K256 WeakPolarHBondContact O-CG 3.35Å; R252-K256 PolarHBondContact O-N 3.39Å
253R89.1Confident89.5Confident183 Ų183133.4 Ų133.469%0.69159%0.587SS**Hα-helixtrans-79.9-42.3173.7-174.2-179.3179.7-177.5-0.4111R249 E250 Q251 K256 L257R249-R253 WeakPolarHBondContact O-CB 3.4Å; R249-R253 PolarHBondContact O-N 3.17Å; R249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 CarbonylContact O-C 3.55Å; E250-R253 WeakPolarHBondContact O-CA 3.34Å; E250-R253 WeakPolarHBondContact O-CB 3.5Å; E250-R253 PolarHBondContact O-N 3.08Å; Q251-R253 PolarHBondContact O-N 3.2Å; Q251-R253 VanDerWaalsContact O-N 3.14Å; R253-K256 PolarHBondContact O-N 3.14Å; R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 3.05Å
254Q91.1Very high88.8Confident133 Ų133129 Ų12962%0.62158%0.575SS**Hα-helixtrans-64.3-44.4174.9-73.9176.3-20.800111.4E250 Q251 K256 L257 A258E250-Q254 WeakPolarHBondContact O-CG 3.49Å; E250-Q254 PolarHBondContact O-N 3.01Å; Q251-Q254 CarbonylContact O-C 3.59Å; Q251-Q254 PolarHBondContact O-N 3.13Å; Q251-Q254 VanDerWaalsContact O-N 3.07Å; Q254-K256 PolarHBondContact O-N 2.81Å; Q254-L257 CarbonylContact O-C 3.5Å; Q254-L257 PolarHBondContact O-N 3.05Å; Q254-L257 VanDerWaalsContact O-N 3.11Å; Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.05Å
255E90.3Very high87.9Confident134 Ų134125.8 Ų125.863%0.62657%0.568SS**Hα-helixtrans-57.9-44.8174.7-174.3-167.317200111.9Q251 L257 A258 K259Q251-E255 WeakPolarHBondContact O-CB 3.31Å; Q251-E255 PolarHBondContact O-N 3.07Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.42Å; E255-A258 PolarHBondContact O-N 2.81Å; E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 PolarHBondContact O-N 3.06Å
256K88Confident86.8Confident164 Ų164123.3 Ų123.371%0.71356%0.559SS**Hα-helixtrans-66.1-33.6174.8-76.3-177.6179.4-160.20113.2R252 R253 Q254 K260R252-K256 VanDerWaalsContact O-CG 3.27Å; R252-K256 WeakPolarHBondContact O-CG 3.35Å; R252-K256 PolarHBondContact O-N 3.39Å; R253-K256 PolarHBondContact O-N 3.14Å; Q254-K256 PolarHBondContact O-N 2.81Å; K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.84Å; K256-K260 VanDerWaalsContact O-N 3.16Å
257L88.4Confident85.3Confident88 Ų88123.2 Ų123.246%0.46156%0.56SS.*Hα-helixtrans-73.2-43.4174.4-72.6165.2000111R253 Q254 E255 K260 N261R253-L257 HydrophobicContact CG-CD1 4.21Å; R253-L257 VanDerWaalsContact O-CG 3.31Å; R253-L257 WeakPolarHBondContact O-CG 3.38Å; R253-L257 PolarHBondContact O-N 3.05Å; Q254-L257 CarbonylContact O-C 3.5Å; Q254-L257 PolarHBondContact O-N 3.05Å; Q254-L257 VanDerWaalsContact O-N 3.11Å; E255-L257 VanDerWaalsContact C-N 3.34Å; E255-L257 PolarHBondContact O-N 3.42Å; L257-K260 CarbonylContact O-C 3.59Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.49Å; L257-K260 VanDerWaalsContact O-N 3.11Å; L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 PolarHBondContact O-OD1 3.41Å
258A90.4Very high83.5Confident59 Ų59125.3 Ų125.349%0.48857%0.567SS.*Hα-helixtrans-62.3-42.9175.500000111.7Q254 E255 K260 N261 R262Q254-A258 WeakPolarHBondContact O-CB 3.41Å; Q254-A258 PolarHBondContact O-N 3.05Å; E255-A258 PolarHBondContact O-N 2.81Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.12Å; A258-N261 PolarHBondContact O-N 2.89Å; A258-R262 WeakPolarHBondContact O-CB 3.33Å; A258-R262 PolarHBondContact O-N 2.96Å
259K86.4Confident81.8Confident166 Ų166124.7 Ų124.772%0.72257%0.574SS**Hα-helixtrans-64.6-30.9173.3-174.1168.5-176.7170.20112.7E255 R263E255-K259 WeakPolarHBondContact O-CB 3.44Å; E255-K259 PolarHBondContact O-N 3.06Å; K259-R263 WeakPolarHBondContact O-CB 3.42Å; K259-R263 PolarHBondContact O-N 3.05Å
260K86.6Confident79.9Confident148 Ų148121.9 Ų121.964%0.64358%0.577SS**Hα-helixtrans-73.6-43.7173-169.5-166.9172.5-161.90111.4K256 L257 A258 R263 A264K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.84Å; K256-K260 VanDerWaalsContact O-N 3.16Å; L257-K260 CarbonylContact O-C 3.59Å; L257-K260 WeakPolarHBondContact O-CB 3.49Å; L257-K260 PolarHBondContact O-N 3.49Å; L257-K260 VanDerWaalsContact O-N 3.11Å; A258-K260 VanDerWaalsContact C-N 3.28Å; A258-K260 PolarHBondContact O-N 3.12Å; K260-R263 PolarHBondContact O-N 2.82Å; K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.34Å
261N81.7Confident77.6Confident87 Ų87124.6 Ų124.647%0.46559%0.59SS.*Hα-helixtrans-65.7-47.1178.6-76.127.1000110.9L257 A258 R263 A264 E265L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 PolarHBondContact O-N 3.39Å; L257-N261 PolarHBondContact O-OD1 3.41Å; A258-N261 PolarHBondContact O-N 2.89Å; N261-R263 VanDerWaalsContact C-N 3.26Å; N261-R263 PolarHBondContact O-N 3.35Å; N261-A264 CarbonylContact O-C 3.56Å; N261-A264 WeakPolarHBondContact O-CA 3.38Å; N261-A264 WeakPolarHBondContact O-CB 3.28Å; N261-A264 PolarHBondContact O-N 3.1Å; N261-E265 WeakPolarHBondContact O-CB 3.34Å; N261-E265 WeakPolarHBondContact O-CG 3.45Å; N261-E265 PolarHBondContact O-N 3.32Å
262R80.8Confident75.5Confident157 Ų157129.1 Ų129.159%0.59260%0.603SS**Hα-helixtrans-57.8-40.1175.3-156.5-167.882.6171.816111.8A258 E265 E266A258-R262 WeakPolarHBondContact O-CB 3.33Å; A258-R262 PolarHBondContact O-N 2.96Å; R262-E265 PolarHBondContact O-N 3.08Å; R262-E266 IonicContact CZ-OE1 2.78Å; R262-E266 IonicContact NE-OE1 2.6Å; R262-E266 PolarHBondContact NE-OE1 3.4Å; R262-E266 IonicContact NH2-OE1 2.69Å; R262-E266 PolarHBondContact NH2-OE1 3.27Å; R262-E266 VanDerWaalsContact O-CB 3.28Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.16Å
263R79.7Confident73Confident155 Ų155128.4 Ų128.459%0.58561%0.612SS**Hα-helixtrans-66.5-34.9172.9178.9176.5167.7156.78.8112.9K259 K260 N261 E267K259-R263 WeakPolarHBondContact O-CB 3.42Å; K259-R263 PolarHBondContact O-N 3.05Å; K260-R263 PolarHBondContact O-N 2.82Å; N261-R263 VanDerWaalsContact C-N 3.26Å; N261-R263 PolarHBondContact O-N 3.35Å; R263-E267 IonicContact CZ-OE1 2.88Å; R263-E267 VanDerWaalsContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 3.13Å; R263-E267 PolarHBondContact NE-OE1 3Å; R263-E267 IonicContact NH2-OE1 2.75Å; R263-E267 PolarHBondContact NH2-OE1 3.12Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 VanDerWaalsContact O-CG 3.25Å; R263-E267 WeakPolarHBondContact O-CG 3.42Å; R263-E267 PolarHBondContact O-N 3.16Å
264A79.4Confident71Confident44 Ų44129.4 Ų129.436%0.36462%0.624SS.*Hα-helixtrans-73-37.517600000111.7K260 N261 E267 E268K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.34Å; N261-A264 CarbonylContact O-C 3.56Å; N261-A264 WeakPolarHBondContact O-CA 3.38Å; N261-A264 WeakPolarHBondContact O-CB 3.28Å; N261-A264 PolarHBondContact O-N 3.1Å; A264-E267 CarbonylContact O-C 3.57Å; A264-E267 PolarHBondContact O-N 3.22Å; A264-E268 WeakPolarHBondContact O-CB 3.45Å; A264-E268 PolarHBondContact O-N 2.83Å
265E74.1Confident68.4Low115 Ų115130.4 Ų130.454%0.53763%0.634SS.*Hα-helixtrans-67-39.3172.4-70158.4-161.200110.8N261 R262 E268 A269N261-E265 WeakPolarHBondContact O-CB 3.34Å; N261-E265 WeakPolarHBondContact O-CG 3.45Å; N261-E265 PolarHBondContact O-N 3.32Å; R262-E265 PolarHBondContact O-N 3.08Å; E265-E268 PolarHBondContact O-N 3.05Å; E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.36Å
266E68Low66.3Low89 Ų89127.5 Ų127.542%0.41664%0.64SS.*Hα-helixtrans-63.3-37.6169-74.6161.1-169.300111.9R262 V270R262-E266 IonicContact CZ-OE1 2.78Å; R262-E266 IonicContact NE-OE1 2.6Å; R262-E266 PolarHBondContact NE-OE1 3.4Å; R262-E266 IonicContact NH2-OE1 2.69Å; R262-E266 PolarHBondContact NH2-OE1 3.27Å; R262-E266 VanDerWaalsContact O-CB 3.28Å; R262-E266 WeakPolarHBondContact O-CB 3.34Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.16Å; E266-V270 WeakPolarHBondContact O-CG2 3.14Å
267E63.5Low63.9Low113 Ų113124.4 Ų124.453%0.52864%0.639SS.*Hα-helixtrans-76.6-29.8176.6-75.9169.5-174.300112.4R263 A264R263-E267 IonicContact CZ-OE1 2.88Å; R263-E267 VanDerWaalsContact CZ-OE1 3.27Å; R263-E267 IonicContact NE-OE1 3.13Å; R263-E267 PolarHBondContact NE-OE1 3Å; R263-E267 IonicContact NH2-OE1 2.75Å; R263-E267 PolarHBondContact NH2-OE1 3.12Å; R263-E267 WeakPolarHBondContact O-CB 3.39Å; R263-E267 VanDerWaalsContact O-CG 3.25Å; R263-E267 WeakPolarHBondContact O-CG 3.42Å; R263-E267 PolarHBondContact O-N 3.16Å; A264-E267 CarbonylContact O-C 3.57Å; A264-E267 PolarHBondContact O-N 3.22Å
268E56.5Low61.9Low143 Ų143129.4 Ų129.467%0.66866%0.66SS**Hα-helixtrans-82.2-36.8178.7-175.1172.3-17600112.3A264 E265 V270 E271A264-E268 WeakPolarHBondContact O-CB 3.45Å; A264-E268 PolarHBondContact O-N 2.83Å; E265-E268 PolarHBondContact O-N 3.05Å; E268-V270 PolarHBondContact O-N 3.04Å; E268-E271 PolarHBondContact O-N 3.4Å
269A55.5Low59.8Low70 Ų70133.8 Ų133.858%0.57968%0.675SS**Hα-helixtrans-65.1-22.8174.200000113.2E265 E271E265-A269 WeakPolarHBondContact O-CB 3.5Å; E265-A269 PolarHBondContact O-N 3.36Å; A269-E271 VanDerWaalsContact C-N 3.34Å
270V50.5Low58.6Low125 Ų125133.8 Ų133.876%0.75868%0.678SS**THydrogen-bonded Turntrans-84-6.1178.7172.30000112.6E266 E268E266-V270 WeakPolarHBondContact O-CG2 3.14Å; E268-V270 PolarHBondContact O-N 3.04Å
271E46.8Very low57.5Low165 Ų165131.5 Ų131.577%0.77168%0.678SS**THydrogen-bonded Turntrans-90-2.5177.3-164.5164.6-172.100113.6E268 A269E268-E271 PolarHBondContact O-N 3.4Å; A269-E271 VanDerWaalsContact C-N 3.34Å
272Y48.2Very low56.9Low212 Ų212133.8 Ų133.883%0.83169%0.69SS**SBendtrans-14117.6-170.3-115.8-79.6000119.4
273D37.7Very low56.1Low147 Ų147131.2 Ų131.279%0.78669%0.687SS**  trans-123.795166.1-100.5-57.3000112.3
274E47.8Very low55.8Low203 Ų203128.6 Ų128.695%0.94969%0.692SS**  trans-107.572.4156.6-172.817817800108.3
275D36.2Very low55.5Low154 Ų154138.3 Ų138.382%0.82472%0.72SS**SBendtrans-151.5154.3149-157.64.2000109.9
276G46.9Very low55.7Low73 Ų73138.6 Ų138.675%0.75372%0.724SS**  trans-87.1130.4-15700000117
277S36.9Very low56Low100 Ų100139.5 Ų139.570%0.69974%0.738SS**  trans-144.1143.414252.80000110.5D279S277-D279 PolarHBondContact O-N 3.43Å
278E45.3Very low56.7Low192 Ų192139.3 Ų139.390%0.89774%0.741SS**  trans-72.295178.1-66.6176.2140.800110E280E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.37Å
279D46.5Very low57.5Low152 Ų152137 Ų13781%0.81374%0.738SS**  trans-68.888.4168.9-85.3-47.4000110.1S277S277-D279 PolarHBondContact O-N 3.43Å
280E61.3Low58.5Low166 Ų166138.4 Ų138.478%0.77674%0.736SS**  trans-59.3134.1162.4-67.8-169.1150.500109.3E278E278-E280 VanDerWaalsContact C-N 3.31Å; E278-E280 PolarHBondContact O-N 3.37Å
281P63.3Low59.9Low100 Ų100134.3 Ų134.365%0.64972%0.716SS**  trans-63.5144.7-179.526.4-34.2000111.1I283P281-I283 HydrophobicContact CG-CD1 4.43Å; P281-I283 HydrophobicContact CG-CG1 4.38Å; P281-I283 VanDerWaalsContact O-CD1 3.31Å; P281-I283 WeakPolarHBondContact O-CD1 3.42Å; P281-I283 VanDerWaalsContact O-CG1 3.23Å; P281-I283 WeakPolarHBondContact O-CG1 3.47Å; P281-I283 PolarHBondContact O-N 3.31Å
282D69.9Low61Low135 Ų135130.1 Ų130.172%0.72270%0.701SS**  trans-66.698.3175-178.64.5000110.9S284D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 3.42Å; D282-S284 PolarHBondContact OD2-OG 3.09Å
283I64.8Low62.2Low102 Ų102128.4 Ų128.452%0.52369%0.693SS.*  trans-84.73.5-177.8-59.7137.2000111.5P281 W285 L286P281-I283 HydrophobicContact CG-CD1 4.43Å; P281-I283 HydrophobicContact CG-CG1 4.38Å; P281-I283 VanDerWaalsContact O-CD1 3.31Å; P281-I283 WeakPolarHBondContact O-CD1 3.42Å; P281-I283 VanDerWaalsContact O-CG1 3.23Å; P281-I283 WeakPolarHBondContact O-CG1 3.47Å; P281-I283 PolarHBondContact O-N 3.31Å; I283-W285 PolarHBondContact O-N 3.16Å; I283-L286 HydrophobicContact CG2-CB 3.74Å; I283-L286 HydrophobicContact CG2-CD2 4.09Å; I283-L286 HydrophobicContact CG2-CG 4.47Å; I283-L286 WeakPolarHBondContact O-CB 3.21Å; I283-L286 PolarHBondContact O-N 3.17Å
284S72.4Confident64Low100 Ų100127.7 Ų127.770%0.69968%0.679SS**THydrogen-bonded Turntrans-63.1-8.8-176.7670000115.8D282D282-S284 VanDerWaalsContact C-N 3.27Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 WeakPolarHBondContact OD1-CB 3.49Å; D282-S284 PolarHBondContact OD1-N 3.03Å; D282-S284 PolarHBondContact OD1-OG 3.42Å; D282-S284 PolarHBondContact OD2-OG 3.09Å
285W72.5Confident65.1Low248 Ų248125.2 Ų125.294%0.93967%0.665SS**THydrogen-bonded Turntrans-84.6-17.1170.3-171.813.2000113.2I283I283-W285 PolarHBondContact O-N 3.16Å
286L79.5Confident66.6Low121 Ų121126.1 Ų126.163%0.63466%0.658SS**SBendtrans-76136.2177.4-130.273.5000110.3I283 D288I283-L286 HydrophobicContact CG2-CB 3.74Å; I283-L286 HydrophobicContact CG2-CD2 4.09Å; I283-L286 HydrophobicContact CG2-CG 4.47Å; I283-L286 WeakPolarHBondContact O-CB 3.21Å; I283-L286 PolarHBondContact O-N 3.17Å; L286-D288 PolarHBondContact O-N 2.96Å
287P73.8Confident67.6Low109 Ų109130 Ų13071%0.70866%0.657SS**PPolyproline II helixtrans-64124.6173.4-21.433.2000111.4P289P287-P289 WeakPolarHBondContact O-CD 3.4Å
288D77.4Confident68.8Low109 Ų109132.8 Ų132.858%0.58366%0.659SS**PPolyproline II helixtrans-52.4118.2-179.7-78.2-20.7000112L286 D290 A291 V292L286-D288 PolarHBondContact O-N 2.96Å; D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 3.37Å; D288-A291 HydrophobicContact CB-CB 3.79Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 3.05Å; D288-V292 PolarHBondContact O-N 2.96Å
289P74.4Confident69.6Low94 Ų94130.4 Ų130.461%0.6165%0.648SS**Hα-helixtrans-64.2-31.5-178.924.7-33.1000112.3P287 A291 V292 R293P287-P289 WeakPolarHBondContact O-CD 3.4Å; P289-A291 VanDerWaalsContact C-N 3.32Å; P289-A291 PolarHBondContact O-N 3.05Å; P289-V292 WeakPolarHBondContact O-CB 3.31Å; P289-V292 PolarHBondContact O-N 3.43Å; P289-R293 PolarHBondContact O-N 2.91Å
290D76.8Confident70.2Confident99 Ų99128.1 Ų128.153%0.52964%0.641SS.*Hα-helixtrans-77.1-15.6177-71.7-18.9000113.6D288 V292 R294D288-D290 VanDerWaalsContact C-N 3.25Å; D288-D290 PolarHBondContact O-N 3.37Å; D290-V292 VanDerWaalsContact C-N 3.34Å; D290-R294 PolarHBondContact O-N 2.93Å; D290-R294 PolarHBondContact O-NE 3.02Å
291A78.8Confident70Confident40 Ų40125.5 Ų125.533%0.33163%0.632SS.*Hα-helixtrans-75.7-27.9168.800000111.5D288 P289D288-A291 HydrophobicContact CB-CB 3.79Å; D288-A291 WeakPolarHBondContact O-CB 3.34Å; D288-A291 PolarHBondContact O-N 3.05Å; P289-A291 VanDerWaalsContact C-N 3.32Å; P289-A291 PolarHBondContact O-N 3.05Å
292V71.5Confident69.7Low77 Ų77128.1 Ų128.147%0.46764%0.636SS.*Hα-helixtrans-74.1-42.1172.2179.40000110.6D288 P289 D290 K295 Y296D288-V292 PolarHBondContact O-N 2.96Å; P289-V292 WeakPolarHBondContact O-CB 3.31Å; P289-V292 PolarHBondContact O-N 3.43Å; D290-V292 VanDerWaalsContact C-N 3.34Å; V292-K295 PolarHBondContact O-N 3.49Å; V292-Y296 HydrophobicContact CG1-CD2 4.14Å; V292-Y296 HydrophobicContact CG1-CE2 3.66Å; V292-Y296 VanDerWaalsContact O-CD2 3.22Å; V292-Y296 WeakPolarHBondContact O-CD2 3.47Å; V292-Y296 PolarHBondContact O-N 2.87Å
293R71.9Confident69.1Low176 Ų176126 Ų12666%0.66463%0.628SS**Hα-helixtrans-61.3-47.8176.6-71.9-177171.6-157.4-2.3113.1P289 K295 Y296 E297P289-R293 PolarHBondContact O-N 2.91Å; R293-K295 PolarHBondContact O-N 3.21Å; R293-Y296 WeakPolarHBondContact O-CA 3.22Å; R293-Y296 PolarHBondContact O-N 3.45Å; R293-E297 PolarHBondContact O-N 2.6Å
294R75.9Confident68.8Low132 Ų132126.8 Ų126.850%0.49863%0.629SS.*Hα-helixtrans-57.6-33177.6-81.3177.3-77.1163.7-9.1113.5D290 Y296 E297 E298D290-R294 PolarHBondContact O-N 2.93Å; D290-R294 PolarHBondContact O-NE 3.02Å; R294-Y296 VanDerWaalsContact C-N 3.33Å; R294-Y296 PolarHBondContact O-N 2.95Å; R294-E297 PolarHBondContact O-N 3.36Å; R294-E298 WeakPolarHBondContact O-CB 3.49Å; R294-E298 WeakPolarHBondContact O-CG 3.4Å; R294-E298 PolarHBondContact O-N 3.13Å
295K72Confident68.2Low151 Ų151127.1 Ų127.166%0.65762%0.623SS**Hα-helixtrans-65.4-33173.3-77.7-172.9174.3-1710113.9V292 R293 E299V292-K295 PolarHBondContact O-N 3.49Å; R293-K295 PolarHBondContact O-N 3.21Å; K295-E299 PolarHBondContact O-N 3.01Å
296Y67Low67.6Low172 Ų172120.7 Ų120.768%0.67561%0.607SS**Hα-helixtrans-83.6-17175.3-66.7-65.7000112.9V292 R293 R294V292-Y296 HydrophobicContact CG1-CD2 4.14Å; V292-Y296 HydrophobicContact CG1-CE2 3.66Å; V292-Y296 VanDerWaalsContact O-CD2 3.22Å; V292-Y296 WeakPolarHBondContact O-CD2 3.47Å; V292-Y296 PolarHBondContact O-N 2.87Å; R293-Y296 WeakPolarHBondContact O-CA 3.22Å; R293-Y296 PolarHBondContact O-N 3.45Å; R294-Y296 VanDerWaalsContact C-N 3.33Å; R294-Y296 PolarHBondContact O-N 2.95Å
297E68.5Low66.8Low155 Ų155121.6 Ų121.672%0.72461%0.608SS**Hα-helixtrans-86.1-25.2169.8-71.7176.7138.800113R293 R294R293-E297 PolarHBondContact O-N 2.6Å; R294-E297 PolarHBondContact O-N 3.36Å
298E61.5Low66.5Low159 Ų159122 Ų12274%0.74360%0.6SS**Hα-helixtrans-89.3-12.8178.4-74.5-179.9175.300113.9R294 P300R294-E298 WeakPolarHBondContact O-CB 3.49Å; R294-E298 WeakPolarHBondContact O-CG 3.4Å; R294-E298 PolarHBondContact O-N 3.13Å; E298-P300 VanDerWaalsContact O-CD 3.28Å; E298-P300 WeakPolarHBondContact O-CD 3.5Å
299E61Low66.1Low142 Ų142123.2 Ų123.266%0.66460%0.602SS**SBendtrans-80.8108.8161.5-75.1-171.5177.900108K295 D301K295-E299 PolarHBondContact O-N 3.01Å; E299-D301 PolarHBondContact O-N 3.34Å
300P59.3Low65.8Low104 Ų104121.2 Ų121.268%0.67559%0.593SS**  trans-66.6133.4178.128.2-34000109.8E298 E302E298-P300 VanDerWaalsContact O-CD 3.28Å; E298-P300 WeakPolarHBondContact O-CD 3.5Å; P300-E302 VanDerWaalsContact C-N 3.28Å; P300-E302 PolarHBondContact O-N 3.27Å
301D58.4Low65.5Low110 Ų110122.5 Ų122.559%0.58860%0.6SS**  trans-64.582.7175.3-79.4-57.6000111.4E299 V303 E304E299-D301 PolarHBondContact O-N 3.34Å; D301-V303 HydrophobicContact CB-CG2 3.89Å; D301-V303 PolarHBondContact O-N 3.35Å; D301-E304 HydrophobicContact CB-CG 4.28Å; D301-E304 PolarHBondContact O-N 3.45Å
302E56.5Low65.2Low156 Ų156123.2 Ų123.273%0.72961%0.606SS**Hα-helixtrans-55.3-13.9172.5-65.4-169.3157.900112.5P300 L306P300-E302 VanDerWaalsContact C-N 3.28Å; P300-E302 PolarHBondContact O-N 3.27Å; E302-L306 WeakPolarHBondContact O-CD1 3.19Å; E302-L306 VanDerWaalsContact O-CG 3.29Å; E302-L306 WeakPolarHBondContact O-CG 3.24Å
303V57Low65Low91 Ų91123.2 Ų123.255%0.55261%0.614SS**Hα-helixtrans-73.1-35.9175.6-67.30000113.9D301 L306 E307D301-V303 HydrophobicContact CB-CG2 3.89Å; D301-V303 PolarHBondContact O-N 3.35Å; V303-L306 PolarHBondContact O-N 2.98Å; V303-E307 PolarHBondContact O-N 2.88Å; V303-E307 VanDerWaalsContact O-N 3.14Å
304E58Low64.8Low117 Ų117122.1 Ų122.155%0.54762%0.62SS.*Hα-helixtrans-71.7-39.4-178.5-69-156.4157.400111.8D301 L306 E307 Q308D301-E304 HydrophobicContact CB-CG 4.28Å; D301-E304 PolarHBondContact O-N 3.45Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 2.98Å; E304-E307 PolarHBondContact O-N 3.28Å; E304-Q308 WeakPolarHBondContact O-CB 3.43Å; E304-Q308 WeakPolarHBondContact O-CG 3.42Å; E304-Q308 PolarHBondContact O-N 3.07Å
305D60.9Low64Low107 Ų107118.8 Ų118.857%0.57263%0.627SS**Hα-helixtrans-63.4-34.5175.8-88.1-27000112Q309D305-Q309 WeakPolarHBondContact O-CB 3.49Å; D305-Q309 VanDerWaalsContact O-CG 3.29Å; D305-Q309 WeakPolarHBondContact O-CG 3.35Å; D305-Q309 PolarHBondContact O-N 2.81Å
306L59.4Low63.2Low113 Ų113121.8 Ų121.859%0.59263%0.634SS**Hα-helixtrans-70.8-41176.2-72.2171.4000112.2E302 V303 E304 A310E302-L306 WeakPolarHBondContact O-CD1 3.19Å; E302-L306 VanDerWaalsContact O-CG 3.29Å; E302-L306 WeakPolarHBondContact O-CG 3.24Å; V303-L306 PolarHBondContact O-N 2.98Å; E304-L306 VanDerWaalsContact C-N 3.28Å; E304-L306 PolarHBondContact O-N 2.98Å; L306-A310 WeakPolarHBondContact O-CB 3.3Å; L306-A310 PolarHBondContact O-N 2.93Å
307E62.5Low62.4Low140 Ų140127.1 Ų127.165%0.65466%0.661SS**Hα-helixtrans-67.1-40.3174.7-70.9-161.8155.700111.9V303 E304 A310 L311V303-E307 PolarHBondContact O-N 2.88Å; V303-E307 VanDerWaalsContact O-N 3.14Å; E304-E307 PolarHBondContact O-N 3.28Å; E307-A310 PolarHBondContact O-N 2.98Å; E307-L311 WeakPolarHBondContact O-CB 3.41Å; E307-L311 PolarHBondContact O-N 2.94Å
308Q67.7Low62Low118 Ų118125.8 Ų125.855%0.55166%0.658SS**Hα-helixtrans-66.5-39.6175.6-70.1-176.747.300112.2E304 A312E304-Q308 WeakPolarHBondContact O-CB 3.43Å; E304-Q308 WeakPolarHBondContact O-CG 3.42Å; E304-Q308 PolarHBondContact O-N 3.07Å; Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.28Å; Q308-A312 PolarHBondContact O-N 3.3Å
309Q68.4Low62.1Low135 Ų135124 Ų12463%0.63165%0.654SS**Hα-helixtrans-63.7-40.5171.7-78.3-175.628.600112.3D305 A312 A313D305-Q309 WeakPolarHBondContact O-CB 3.49Å; D305-Q309 VanDerWaalsContact O-CG 3.29Å; D305-Q309 WeakPolarHBondContact O-CG 3.35Å; D305-Q309 PolarHBondContact O-N 2.81Å; Q309-A312 PolarHBondContact O-N 2.89Å; Q309-A313 WeakPolarHBondContact O-CB 3.19Å; Q309-A313 PolarHBondContact O-N 3.21Å
310A68.6Low62.1Low51 Ų51123 Ų12342%0.42165%0.653SS.*Hα-helixtrans-63.9-46.7176.800000111.9L306 E307 A312 A313 L314L306-A310 WeakPolarHBondContact O-CB 3.3Å; L306-A310 PolarHBondContact O-N 2.93Å; E307-A310 PolarHBondContact O-N 2.98Å; A310-A312 PolarHBondContact O-N 2.92Å; A310-A313 PolarHBondContact O-N 3.01Å; A310-L314 WeakPolarHBondContact O-CD1 3.39Å; A310-L314 PolarHBondContact O-N 3.18Å
311L70.8Confident62.3Low126 Ų126124.1 Ų124.166%0.6665%0.652SS**Hα-helixtrans-61.1-41.9174.9-91.4154.7000112.4E307 A313 L314 G315E307-L311 WeakPolarHBondContact O-CB 3.41Å; E307-L311 PolarHBondContact O-N 2.94Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.27Å; L311-L314 PolarHBondContact O-N 3.12Å; L311-G315 PolarHBondContact O-N 2.94Å
312A71.8Confident62.6Low55 Ų55125 Ų12546%0.45566%0.656SS.*Hα-helixtrans-67.9-25.6176.700000113.7Q308 Q309 A310Q308-A312 VanDerWaalsContact O-CB 3.28Å; Q308-A312 WeakPolarHBondContact O-CB 3.28Å; Q308-A312 PolarHBondContact O-N 3.3Å; Q309-A312 PolarHBondContact O-N 2.89Å; A310-A312 PolarHBondContact O-N 2.92Å
313A68.8Low63Low77 Ų77122.9 Ų122.964%0.63665%0.651SS**Hα-helixtrans-77.2-35.2172.500000112.5Q309 A310 L311Q309-A313 WeakPolarHBondContact O-CB 3.19Å; Q309-A313 PolarHBondContact O-N 3.21Å; A310-A313 PolarHBondContact O-N 3.01Å; L311-A313 VanDerWaalsContact C-N 3.29Å; L311-A313 PolarHBondContact O-N 3.27Å
314L66.9Low63.4Low153 Ų153125.2 Ų125.280%0.80166%0.658SS**Hα-helixtrans-74.8-23.4174.3-90.2132.2000113.6A310 L311 R316A310-L314 WeakPolarHBondContact O-CD1 3.39Å; A310-L314 PolarHBondContact O-N 3.18Å; L311-L314 PolarHBondContact O-N 3.12Å; L314-R316 PolarHBondContact O-N 3.4Å
315G60.2Low63.8Low63 Ų63125.8 Ų125.865%0.64967%0.667SS**THydrogen-bonded Turntrans-80.78.1-175.200000117.5L311L311-G315 PolarHBondContact O-N 2.94Å
316R54.4Low64Low213 Ų213127.4 Ų127.480%0.80467%0.674SS**  trans-112.8100.2-179.9-95.8-176.6-89.6-161-6.3113.7L314L314-R316 PolarHBondContact O-N 3.4Å
317K49.1Very low64.5Low285 Ų285128.7 Ų128.7100%1.23968%0.682SS**  trans-136.60154.3-89.3-173.5176.3175.60109.1

Retrieved 317 of 317 residues in 246.3 ms (Link to these results)