A0A3Q0KPN8_SCHMA Loading...

GRIP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,465 aa.

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

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
1M38.4Very low55.8Low187 Ų187109 Ų10992%0.92159%0.589SS**  018.40-101.7-114.6-15400110.3W3 L4M1-W3 PolarHBondContact O-N 2.88Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-L4 HydrophobicContact SD-CD1 4.05Å
2D48.4Very low57.3Low145 Ų145102.6 Ų102.678%0.77557%0.568SS**G310 helixtrans-86.1-9.1-153.8-47.5-64.5000114L4 G5D2-L4 PolarHBondContact O-N 3.26Å; D2-G5 PolarHBondContact O-N 2.85Å; D2-G5 VanDerWaalsContact O-N 3.13Å
3W50.6Low58.6Low202 Ų202103.1 Ų103.177%0.76556%0.563SS**G310 helixtrans-68.5-22174.391.9-62.3000113.2M1 G5 G6M1-W3 PolarHBondContact O-N 2.88Å; W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.77Å; W3-G6 PolarHBondContact O-N 2.67Å
4L50Low59.4Low93 Ų93102.8 Ų102.849%0.48756%0.559SS.*G310 helixtrans-72.1-20.3173.2-77.2159.4000112.4M1 D2 G6 L7M1-L4 PolarHBondContact O-N 3.22Å; M1-L4 HydrophobicContact SD-CD1 4.05Å; D2-L4 PolarHBondContact O-N 3.26Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.66Å; L4-L7 HydrophobicContact CD2-CD1 4.15Å; L4-L7 PolarHBondContact O-N 2.78Å
5G56.1Low60.8Low44 Ų44101.2 Ų101.245%0.45455%0.554SS.*Hα-helixtrans-68.1-25.4172.900000113.3D2 W3 L7 S8 S9D2-G5 PolarHBondContact O-N 2.85Å; D2-G5 VanDerWaalsContact O-N 3.13Å; W3-G5 VanDerWaalsContact C-N 3.26Å; W3-G5 PolarHBondContact O-N 2.77Å; G5-L7 VanDerWaalsContact C-N 3.29Å; G5-L7 PolarHBondContact O-N 3.17Å; G5-S8 PolarHBondContact O-N 2.81Å; G5-S8 PolarHBondContact O-OG 2.81Å; G5-S9 PolarHBondContact O-N 2.86Å
6G53.8Low61.6Low39 Ų39100.9 Ų100.940%0.40255%0.552SS.*Hα-helixtrans-67.2-29.3175.200000113.3W3 L4 S9 I10W3-G6 PolarHBondContact O-N 2.67Å; L4-G6 VanDerWaalsContact C-N 3.27Å; L4-G6 PolarHBondContact O-N 2.66Å; G6-S9 PolarHBondContact O-N 2.9Å; G6-I10 PolarHBondContact O-N 3.43Å
7L47.7Very low62.2Low96 Ų96101.4 Ų101.450%0.50355%0.553SS.*Hα-helixtrans-75.1-29.4179.7-75.4163.2000112.8L4 G5 K11L4-L7 HydrophobicContact CD2-CD1 4.15Å; L4-L7 PolarHBondContact O-N 2.78Å; G5-L7 VanDerWaalsContact C-N 3.29Å; G5-L7 PolarHBondContact O-N 3.17Å; L7-K11 WeakPolarHBondContact O-CB 3.11Å; L7-K11 PolarHBondContact O-N 2.8Å
8S60Low62.8Low85 Ų8599.8 Ų99.859%0.59455%0.546SS*.Hα-helixtrans-70.5-36172.767.60000111.4G5 K11 G12G5-S8 PolarHBondContact O-N 2.81Å; G5-S8 PolarHBondContact O-OG 2.81Å; S8-K11 PolarHBondContact O-N 2.83Å; S8-G12 PolarHBondContact O-N 2.61Å
9S65.6Low63.2Low67 Ų67102.1 Ų102.147%0.46955%0.55SS.*Hα-helixtrans-62.9-46.1172.2-175.50000111.9G5 G6 K11 G12 Q13G5-S9 PolarHBondContact O-N 2.86Å; G6-S9 PolarHBondContact O-N 2.9Å; S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.32Å; S9-G12 CarbonylContact O-C 3.19Å; S9-G12 WeakPolarHBondContact O-CA 3.25Å; S9-G12 PolarHBondContact O-N 2.55Å; S9-G12 VanDerWaalsContact O-N 3.13Å; S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 3.38Å
10I69.6Low63.3Low85 Ų85102.1 Ų102.144%0.43655%0.55SS.*Hα-helixtrans-61.7-41175-87.9161.8000111.9G6 G12 Q13 I14G6-I10 PolarHBondContact O-N 3.43Å; I10-G12 VanDerWaalsContact C-N 3.3Å; I10-G12 PolarHBondContact O-N 3.49Å; I10-Q13 PolarHBondContact O-N 3.31Å; I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 2.82Å; I10-I14 PolarHBondContact O-N 2.66Å
11K73.7Confident63.4Low156 Ų156103.6 Ų103.668%0.67856%0.557SS**Hα-helixtrans-64.6-37.7175.5-167.1179.2-179.6-174.70111.4L7 S8 S9 T15L7-K11 WeakPolarHBondContact O-CB 3.11Å; L7-K11 PolarHBondContact O-N 2.8Å; S8-K11 PolarHBondContact O-N 2.83Å; S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.32Å; K11-T15 WeakPolarHBondContact O-CB 2.79Å; K11-T15 PolarHBondContact O-N 2.8Å; K11-T15 PolarHBondContact O-OG1 2.79Å
12G73.3Confident64.4Low32 Ų32101 Ų10133%0.3355%0.547SS..Hα-helixtrans-64.6-43.9172.800000112.7S8 S9 I10 T15 N16S8-G12 PolarHBondContact O-N 2.61Å; S9-G12 CarbonylContact O-C 3.19Å; S9-G12 WeakPolarHBondContact O-CA 3.25Å; S9-G12 PolarHBondContact O-N 2.55Å; S9-G12 VanDerWaalsContact O-N 3.13Å; I10-G12 VanDerWaalsContact C-N 3.3Å; I10-G12 PolarHBondContact O-N 3.49Å; G12-T15 WeakPolarHBondContact O-CB 2.96Å; G12-T15 PolarHBondContact O-N 3.21Å; G12-N16 PolarHBondContact O-N 2.72Å
13Q75.4Confident64.9Low109 Ų10997.2 Ų97.251%0.50954%0.536SS..Hα-helixtrans-64.1-44.8176.8-75177.6-19.600112S9 I10 T15 N16 I17S9-Q13 WeakPolarHBondContact O-CG 3.29Å; S9-Q13 PolarHBondContact O-N 3.38Å; I10-Q13 PolarHBondContact O-N 3.31Å; Q13-T15 VanDerWaalsContact C-N 3.28Å; Q13-T15 PolarHBondContact O-N 3.37Å; Q13-N16 PolarHBondContact O-N 2.75Å; Q13-I17 WeakPolarHBondContact O-CB 2.61Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.09Å; Q13-I17 PolarHBondContact O-N 2.91Å
14I69.7Low65.1Low99 Ų9995.6 Ų95.651%0.50854%0.536SS..Hα-helixtrans-63-38.8175.1-66.6165.9000110.3I10 I17 T18I10-I14 HydrophobicContact CG2-CD1 3.8Å; I10-I14 VanDerWaalsContact O-CG1 3.27Å; I10-I14 WeakPolarHBondContact O-CG1 2.82Å; I10-I14 PolarHBondContact O-N 2.66Å; I14-I17 PolarHBondContact O-N 3.43Å; I14-T18 WeakPolarHBondContact O-CB 3.11Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 2.75Å
15T79.7Confident65Low79 Ų7994.3 Ų94.349%0.48555%0.546SS..Hα-helixtrans-65.6-43176.5-57.90000111.3K11 G12 Q13 T18 K19K11-T15 WeakPolarHBondContact O-CB 2.79Å; K11-T15 PolarHBondContact O-N 2.8Å; K11-T15 PolarHBondContact O-OG1 2.79Å; G12-T15 WeakPolarHBondContact O-CB 2.96Å; G12-T15 PolarHBondContact O-N 3.21Å; Q13-T15 VanDerWaalsContact C-N 3.28Å; Q13-T15 PolarHBondContact O-N 3.37Å; T15-T18 PolarHBondContact O-N 2.63Å; T15-K19 WeakPolarHBondContact O-CB 3.3Å; T15-K19 PolarHBondContact O-N 2.64Å
16N73Confident64.3Low96 Ų9697.9 Ų97.951%0.51356%0.559SS.*Hα-helixtrans-65.2-43.7175.8-79.9-6.5000111.8G12 Q13 T18 K19 D20G12-N16 PolarHBondContact O-N 2.72Å; Q13-N16 PolarHBondContact O-N 2.75Å; N16-T18 VanDerWaalsContact C-N 3.28Å; N16-T18 PolarHBondContact O-N 3.42Å; N16-K19 CarbonylContact O-C 3.6Å; N16-K19 WeakPolarHBondContact O-CA 2.95Å; N16-K19 WeakPolarHBondContact O-CB 3.03Å; N16-K19 PolarHBondContact O-N 2.73Å; N16-D20 WeakPolarHBondContact O-CB 3.34Å; N16-D20 PolarHBondContact O-N 2.7Å
17I72.7Confident63.9Low110 Ų110106.2 Ų106.256%0.56458%0.578SS**Hα-helixtrans-58.4-43.9173.7-68.7164.3000110.3Q13 I14 K19 D20 L21Q13-I17 WeakPolarHBondContact O-CB 2.61Å; Q13-I17 VanDerWaalsContact O-CG1 3.26Å; Q13-I17 WeakPolarHBondContact O-CG1 3.09Å; Q13-I17 PolarHBondContact O-N 2.91Å; I14-I17 PolarHBondContact O-N 3.43Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.69Å; I17-D20 PolarHBondContact O-N 3.45Å; I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 PolarHBondContact O-N 2.86Å
18T72.8Confident63.8Low72 Ų72110 Ų11044%0.44259%0.593SS.*Hα-helixtrans-64.3-35.6177.2-51.90000111.2I14 T15 N16 L22I14-T18 WeakPolarHBondContact O-CB 3.11Å; I14-T18 PolarHBondContact O-N 2.65Å; I14-T18 PolarHBondContact O-OG1 2.75Å; T15-T18 PolarHBondContact O-N 2.63Å; N16-T18 VanDerWaalsContact C-N 3.28Å; N16-T18 PolarHBondContact O-N 3.42Å; T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 WeakPolarHBondContact O-CD1 2.81Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 2.83Å; T18-L22 VanDerWaalsContact O-N 3.1Å
19K69.6Low63.3Low143 Ų143112.4 Ų112.462%0.62260%0.598SS**Hα-helixtrans-72.2-41.1179.1-149.1-177.1-174.1-1750112T15 N16 I17 L22 A23T15-K19 WeakPolarHBondContact O-CB 3.3Å; T15-K19 PolarHBondContact O-N 2.64Å; N16-K19 CarbonylContact O-C 3.6Å; N16-K19 WeakPolarHBondContact O-CA 2.95Å; N16-K19 WeakPolarHBondContact O-CB 3.03Å; N16-K19 PolarHBondContact O-N 2.73Å; I17-K19 VanDerWaalsContact C-N 3.27Å; I17-K19 PolarHBondContact O-N 2.69Å; K19-L22 PolarHBondContact O-N 2.77Å; K19-A23 WeakPolarHBondContact O-CB 3.11Å; K19-A23 PolarHBondContact O-N 2.77Å
20D65.6Low62.7Low102 Ų102115.3 Ų115.355%0.54561%0.608SS.*Hα-helixtrans-68.9-41.7176.6-69.1-17.3000110.2N16 I17 L22 A23 E24N16-D20 WeakPolarHBondContact O-CB 3.34Å; N16-D20 PolarHBondContact O-N 2.7Å; I17-D20 PolarHBondContact O-N 3.45Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.44Å; D20-A23 PolarHBondContact O-N 3.03Å; D20-E24 WeakPolarHBondContact O-CB 3.43Å; D20-E24 PolarHBondContact O-N 2.74Å
21L66.3Low62.7Low134 Ų134115.2 Ų115.270%0.70261%0.608SS**Hα-helixtrans-61.3-35.7174.3-153.490.6000112.4I17I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.2Å; I17-L21 PolarHBondContact O-N 2.86Å
22L59Low62.6Low134 Ų134112.2 Ų112.270%0.70261%0.605SS**Hα-helixtrans-76.5-27.6175-72.7170.1000112.8T18 K19 D20T18-L22 HydrophobicContact CG2-CD1 4.25Å; T18-L22 WeakPolarHBondContact O-CB 3.4Å; T18-L22 WeakPolarHBondContact O-CD1 2.81Å; T18-L22 WeakPolarHBondContact O-CG 3.31Å; T18-L22 PolarHBondContact O-N 2.83Å; T18-L22 VanDerWaalsContact O-N 3.1Å; K19-L22 PolarHBondContact O-N 2.77Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.44Å
23A58.4Low62.8Low65 Ų65118 Ų11854%0.53762%0.623SS.*Hα-helixtrans-79.2-36.9177.300000112.3K19 D20 G25 T26K19-A23 WeakPolarHBondContact O-CB 3.11Å; K19-A23 PolarHBondContact O-N 2.77Å; D20-A23 PolarHBondContact O-N 3.03Å; A23-G25 PolarHBondContact O-N 3.17Å; A23-T26 PolarHBondContact O-N 3.42Å
24E55.9Low62.9Low168 Ų168115.5 Ų115.579%0.78562%0.618SS**Hα-helixtrans-62.3-25.2178.3-158.381.5-151.400112D20 T26D20-E24 WeakPolarHBondContact O-CB 3.43Å; D20-E24 PolarHBondContact O-N 2.74Å; E24-T26 PolarHBondContact O-N 2.82Å
25G47Very low63.4Low66 Ų66116.5 Ų116.568%0.6862%0.62SS**THydrogen-bonded Turntrans-70.55.2-178.500000116.4A23A23-G25 PolarHBondContact O-N 3.17Å
26T41.8Very low63.4Low118 Ų118117 Ų11772%0.72462%0.62SS**SBendtrans-139.383.5-176.213.90000112.9A23 E24A23-T26 PolarHBondContact O-N 3.42Å; E24-T26 PolarHBondContact O-N 2.82Å
27R44.3Very low64Low214 Ų214115.6 Ų115.681%0.80862%0.618SS**  trans151.794.1133.1-173-178.7-105.3-149-4.3110.8I29R27-I29 HydrophobicContact CG-CD1 4.47Å; R27-I29 HydrophobicContact CG-CG1 4.4Å; R27-I29 PolarHBondContact O-N 2.82Å; R27-I29 VanDerWaalsContact O-N 3.16Å
28E45.7Very low64.6Low175 Ų175115.6 Ų115.682%0.81862%0.618SS**  trans-56.4108.6168.1-68.1170.816300111
29I50.3Low65Low137 Ų137114.6 Ų114.670%0.70362%0.616SS**  trans-130.193.6157.5-62.9176.6000105.5R27 D31R27-I29 HydrophobicContact CG-CD1 4.47Å; R27-I29 HydrophobicContact CG-CG1 4.4Å; R27-I29 PolarHBondContact O-N 2.82Å; R27-I29 VanDerWaalsContact O-N 3.16Å; I29-D31 PolarHBondContact O-N 3.46Å; I29-D31 VanDerWaalsContact O-N 3.11Å
30N53.4Low66Low127 Ų127115.7 Ų115.768%0.67962%0.617SS**  trans-68.597.1-174.9-58.7-30.2000110.5
31D68.7Low67.1Low83 Ų83114.3 Ų114.344%0.44461%0.612SS.*  trans-113.9101.7159.1-174.65000108.9I29 E33 S34 E35I29-D31 PolarHBondContact O-N 3.46Å; I29-D31 VanDerWaalsContact O-N 3.11Å; D31-E33 PolarHBondContact O-N 3.35Å; D31-E33 PolarHBondContact OD1-N 2.82Å; D31-S34 WeakPolarHBondContact O-CB 2.78Å; D31-S34 PolarHBondContact O-N 3.36Å; D31-S34 VanDerWaalsContact O-N 3.13Å; D31-E35 PolarHBondContact O-N 2.82Å; D31-E35 VanDerWaalsContact O-N 3.15Å
32P72.2Confident68.3Low93 Ų93114.5 Ų114.560%0.60460%0.603SS**Hα-helixtrans-63.6-23.7-177.426.8-34.6000112.7L36P32-L36 VanDerWaalsContact O-CB 3.26Å; P32-L36 WeakPolarHBondContact O-CB 2.96Å; P32-L36 PolarHBondContact O-N 2.82Å
33E77.5Confident69.8Low154 Ų154112.4 Ų112.472%0.7259%0.592SS**Hα-helixtrans-71-38176.5-166.4168.1-164.200111.1D31 S37D31-E33 PolarHBondContact O-N 3.35Å; D31-E33 PolarHBondContact OD1-N 2.82Å; E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.42Å
34S78.2Confident71.3Confident57 Ų57113.1 Ų113.140%0.39959%0.592SS.*Hα-helixtrans-63.8-48.3171.9169.60000111.7D31 L36 S37 I38D31-S34 WeakPolarHBondContact O-CB 2.78Å; D31-S34 PolarHBondContact O-N 3.36Å; D31-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.38Å; S34-S37 WeakPolarHBondContact O-CB 3.3Å; S34-S37 PolarHBondContact O-N 2.65Å; S34-I38 VanDerWaalsContact O-CG1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.34Å; S34-I38 PolarHBondContact O-N 2.8Å
35E78.6Confident73Confident119 Ų119109.6 Ų109.656%0.55658%0.576SS**Hα-helixtrans-61.3-42.1178.4-71.6179.1-167.900112.2D31 S37 I38 A39D31-E35 PolarHBondContact O-N 2.82Å; D31-E35 VanDerWaalsContact O-N 3.15Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.38Å; E35-I38 PolarHBondContact O-N 3.41Å; E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 2.82Å
36L79.6Confident75Confident89 Ų89110.4 Ų110.447%0.46656%0.564SS.*Hα-helixtrans-67.3-35.4177.1-171.8133.4000112P32 S34 R40P32-L36 VanDerWaalsContact O-CB 3.26Å; P32-L36 WeakPolarHBondContact O-CB 2.96Å; P32-L36 PolarHBondContact O-N 2.82Å; S34-L36 VanDerWaalsContact C-N 3.34Å; S34-L36 PolarHBondContact O-N 3.38Å; L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3Å; L36-R40 PolarHBondContact O-N 3.11Å
37S87.3Confident77.4Confident68 Ų68110.7 Ų110.748%0.47656%0.557SS.*Hα-helixtrans-65-44.1172-170.30000111.7E33 S34 E35 R40 T41E33-S37 WeakPolarHBondContact O-CB 3.4Å; E33-S37 PolarHBondContact O-N 3.42Å; S34-S37 WeakPolarHBondContact O-CB 3.3Å; S34-S37 PolarHBondContact O-N 2.65Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.38Å; S37-R40 PolarHBondContact O-N 2.87Å; S37-T41 PolarHBondContact O-N 2.65Å; S37-T41 PolarHBondContact O-OG1 3.41Å; S37-T41 VanDerWaalsContact O-OG1 3.04Å
38I84.6Confident79.7Confident110 Ų110104 Ų10456%0.56454%0.543SS*.Hα-helixtrans-62.8-43.7176.9-67.9162.8000110.4S34 E35 R40 T41 R42S34-I38 VanDerWaalsContact O-CG1 3.29Å; S34-I38 WeakPolarHBondContact O-CG1 3.34Å; S34-I38 PolarHBondContact O-N 2.8Å; E35-I38 PolarHBondContact O-N 3.41Å; I38-R40 PolarHBondContact O-N 3.44Å; I38-T41 PolarHBondContact O-N 3.4Å; I38-R42 WeakPolarHBondContact O-CB 3.05Å; I38-R42 PolarHBondContact O-N 3.44Å
39A80.2Confident81.9Confident50 Ų5099 Ų9941%0.41353%0.525SS..Hα-helixtrans-62.5-42.7177.100000112.1E35 R42 I43E35-A39 WeakPolarHBondContact O-CB 3.22Å; E35-A39 PolarHBondContact O-N 2.82Å; A39-R42 PolarHBondContact O-N 3.39Å; A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 2.89Å; A39-I43 PolarHBondContact O-N 2.88Å
40R90.6Very high83.9Confident166 Ų16696.6 Ų96.663%0.62652%0.516SS*.Hα-helixtrans-60.9-44.9174-78.7176.5174.5165.80.4111.9L36 S37 I38 R42 I43 C44L36-R40 WeakPolarHBondContact O-CB 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3Å; L36-R40 PolarHBondContact O-N 3.11Å; S37-R40 PolarHBondContact O-N 2.87Å; I38-R40 PolarHBondContact O-N 3.44Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 2.85Å; R40-I43 PolarHBondContact O-N 3.42Å; R40-C44 PolarHBondContact O-N 3.45Å; R40-C44 PolarHBondContact O-SG 2.94Å; R40-C44 VanDerWaalsContact O-SG 3.36Å
41T89.8Confident85.8Confident74 Ų7495.4 Ų95.445%0.45451%0.507SS..Hα-helixtrans-59.1-43.9174.5-57.80000111.1S37 I38 I43 C44 E45S37-T41 PolarHBondContact O-N 2.65Å; S37-T41 PolarHBondContact O-OG1 3.41Å; S37-T41 VanDerWaalsContact O-OG1 3.04Å; I38-T41 PolarHBondContact O-N 3.4Å; T41-I43 PolarHBondContact O-N 3.2Å; T41-C44 WeakPolarHBondContact O-CB 3.35Å; T41-C44 PolarHBondContact O-N 3.33Å; T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.85Å
42R91.1Very high87Confident137 Ų13795.2 Ų95.252%0.51751%0.508SS..Hα-helixtrans-65.6-37.5179-174.156.2177.3170.61.3113I38 A39 R40 E45 L46I38-R42 WeakPolarHBondContact O-CB 3.05Å; I38-R42 PolarHBondContact O-N 3.44Å; A39-R42 PolarHBondContact O-N 3.39Å; R40-R42 VanDerWaalsContact C-N 3.3Å; R40-R42 PolarHBondContact O-N 2.85Å; R42-E45 WeakPolarHBondContact CD-OE2 3.49Å; R42-E45 IonicContact CZ-OE2 3.52Å; R42-E45 IonicContact NH1-OE2 3.2Å; R42-E45 PolarHBondContact NH1-OE2 3.08Å; R42-E45 PolarHBondContact O-N 3.47Å; R42-L46 HydrophobicContact CG-CD1 4.36Å; R42-L46 WeakPolarHBondContact O-CG 3.27Å; R42-L46 PolarHBondContact O-N 3.46Å
43I90.7Very high87.8Confident91 Ų9195.9 Ų95.947%0.46750%0.503SS..Hα-helixtrans-63-47.6173.6-70.7165.3000109.9A39 R40 T41 E45 L46 E47A39-I43 VanDerWaalsContact O-CG1 3.31Å; A39-I43 WeakPolarHBondContact O-CG1 2.89Å; A39-I43 PolarHBondContact O-N 2.88Å; R40-I43 PolarHBondContact O-N 3.42Å; T41-I43 PolarHBondContact O-N 3.2Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.84Å; I43-L46 PolarHBondContact O-N 3.26Å; I43-L46 VanDerWaalsContact O-N 3.12Å; I43-E47 HydrophobicContact CG2-CG 4.24Å; I43-E47 WeakPolarHBondContact O-CG 3.25Å; I43-E47 PolarHBondContact O-N 3.32Å
44C91Very high88.6Confident80 Ų8094 Ų9454%0.54149%0.493SS..Hα-helixtrans-58.2-40.7176.7-69.50000112.5R40 T41 S48R40-C44 PolarHBondContact O-N 3.45Å; R40-C44 PolarHBondContact O-SG 2.94Å; R40-C44 VanDerWaalsContact O-SG 3.36Å; T41-C44 WeakPolarHBondContact O-CB 3.35Å; T41-C44 PolarHBondContact O-N 3.33Å; C44-S48 PolarHBondContact O-N 2.95Å
45E90.3Very high89.3Confident94 Ų9494.9 Ų94.944%0.43950%0.496SS..Hα-helixtrans-62.2-46.1174.2-72.4172.6-173.100111.9T41 R42 I43 S48 V49T41-E45 WeakPolarHBondContact O-CG 3.4Å; T41-E45 PolarHBondContact O-N 2.85Å; R42-E45 WeakPolarHBondContact CD-OE2 3.49Å; R42-E45 IonicContact CZ-OE2 3.52Å; R42-E45 IonicContact NH1-OE2 3.2Å; R42-E45 PolarHBondContact NH1-OE2 3.08Å; R42-E45 PolarHBondContact O-N 3.47Å; I43-E45 VanDerWaalsContact C-N 3.3Å; I43-E45 PolarHBondContact O-N 2.84Å; E45-S48 WeakPolarHBondContact O-CB 3.2Å; E45-S48 PolarHBondContact O-N 3.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.22Å; E45-V49 PolarHBondContact O-N 3.45Å
46L88.9Confident89.9Confident83 Ų8395 Ų9544%0.43550%0.497SS..Hα-helixtrans-66.3-40.5179.8-72.9172.9000112R42 I43 S48 V49 V50R42-L46 HydrophobicContact CG-CD1 4.36Å; R42-L46 WeakPolarHBondContact O-CG 3.27Å; R42-L46 PolarHBondContact O-N 3.46Å; I43-L46 PolarHBondContact O-N 3.26Å; I43-L46 VanDerWaalsContact O-N 3.12Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 2.9Å; L46-V49 VanDerWaalsContact O-N 3.16Å; L46-V50 WeakPolarHBondContact O-CG2 3.12Å; L46-V50 PolarHBondContact O-N 2.86Å
47E92.9Very high90.4Very high124 Ų12495.6 Ų95.658%0.57950%0.499SS*.Hα-helixtrans-59.9-41.8173.6-73.4177.216700111.1I43 V49 V50 E51I43-E47 HydrophobicContact CG2-CG 4.24Å; I43-E47 WeakPolarHBondContact O-CG 3.25Å; I43-E47 PolarHBondContact O-N 3.32Å; E47-V49 PolarHBondContact O-N 3.06Å; E47-V50 PolarHBondContact O-N 3.3Å; E47-E51 WeakPolarHBondContact O-CB 3.04Å; E47-E51 PolarHBondContact O-N 3.4Å
48S92.7Very high90.7Very high73 Ų7396.1 Ų96.151%0.5150%0.496SS..Hα-helixtrans-62.6-39173.7-177.50000112.8C44 E45 L46 T52C44-S48 PolarHBondContact O-N 2.95Å; E45-S48 WeakPolarHBondContact O-CB 3.2Å; E45-S48 PolarHBondContact O-N 3.26Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.48Å; S48-T52 PolarHBondContact O-N 3.41Å; S48-T52 PolarHBondContact O-OG1 2.81Å
49V92.1Very high91.2Very high70 Ų7094.7 Ų94.742%0.42450%0.496SS..Hα-helixtrans-68.2-41.4176.3172.70000111.1E45 L46 E47 T52 Q53E45-V49 WeakPolarHBondContact O-CG2 3.22Å; E45-V49 PolarHBondContact O-N 3.45Å; L46-V49 PolarHBondContact O-N 2.9Å; L46-V49 VanDerWaalsContact O-N 3.16Å; E47-V49 PolarHBondContact O-N 3.06Å; V49-T52 VanDerWaalsContact CA-OG1 3.26Å; V49-T52 WeakPolarHBondContact CA-OG1 3.48Å; V49-T52 PolarHBondContact O-N 3.05Å; V49-T52 PolarHBondContact O-OG1 2.98Å; V49-Q53 HydrophobicContact CG1-CG 4.47Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 WeakPolarHBondContact O-CG 2.98Å; V49-Q53 PolarHBondContact O-N 3.47Å
50V91.1Very high91.5Very high87 Ų8796.8 Ų96.853%0.52750%0.5SS..Hα-helixtrans-64.2-42.8177.1169.70000110.7L46 E47 Q53 K54L46-V50 WeakPolarHBondContact O-CG2 3.12Å; L46-V50 PolarHBondContact O-N 2.86Å; E47-V50 PolarHBondContact O-N 3.3Å; V50-Q53 PolarHBondContact O-N 3.09Å; V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.39Å; V50-K54 PolarHBondContact O-N 3.33Å
51E94Very high91.7Very high102 Ų10295.8 Ų95.848%0.47750%0.496SS..Hα-helixtrans-66.5-41.3178.6-166.658-147.400111.4E47 K54 T55E47-E51 WeakPolarHBondContact O-CB 3.04Å; E47-E51 PolarHBondContact O-N 3.4Å; E51-K54 PolarHBondContact O-N 3.31Å; E51-T55 WeakPolarHBondContact O-CG2 3.19Å; E51-T55 PolarHBondContact O-N 3.14Å
52T92.9Very high91.9Very high78 Ų7896.1 Ų96.148%0.47950%0.501SS..Hα-helixtrans-61.9-46.3173.7350000112.1S48 V49 K54 T55 E56S48-T52 PolarHBondContact O-N 3.41Å; S48-T52 PolarHBondContact O-OG1 2.81Å; V49-T52 VanDerWaalsContact CA-OG1 3.26Å; V49-T52 WeakPolarHBondContact CA-OG1 3.48Å; V49-T52 PolarHBondContact O-N 3.05Å; V49-T52 PolarHBondContact O-OG1 2.98Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.25Å; T52-T55 PolarHBondContact O-N 3.34Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T52-E56 PolarHBondContact O-N 2.93Å
53Q90.8Very high92Very high107 Ų10794.6 Ų94.650%0.550%0.495SS..Hα-helixtrans-61.3-38.3175.1-74.5-179.9-11.400112.6V49 V50 E56 I57V49-Q53 HydrophobicContact CG1-CG 4.47Å; V49-Q53 WeakPolarHBondContact O-CB 3.36Å; V49-Q53 WeakPolarHBondContact O-CG 2.98Å; V49-Q53 PolarHBondContact O-N 3.47Å; V50-Q53 PolarHBondContact O-N 3.09Å; Q53-E56 PolarHBondContact O-N 3.3Å; Q53-I57 VanDerWaalsContact O-CG1 3.32Å; Q53-I57 WeakPolarHBondContact O-CG1 3.17Å; Q53-I57 PolarHBondContact O-N 3.36Å
54K94.2Very high91.7Very high114 Ų11495 Ų9550%0.49650%0.498SS..Hα-helixtrans-63.9-41176-172-179.4178.5-172.40111.7V50 E51 T52 E56 N58V50-K54 VanDerWaalsContact O-CB 3.3Å; V50-K54 WeakPolarHBondContact O-CB 3.39Å; V50-K54 PolarHBondContact O-N 3.33Å; E51-K54 PolarHBondContact O-N 3.31Å; T52-K54 VanDerWaalsContact C-N 3.31Å; T52-K54 PolarHBondContact O-N 3.25Å; K54-E56 VanDerWaalsContact C-N 3.35Å; K54-N58 WeakPolarHBondContact O-CB 3.24Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.5Å; K54-N58 PolarHBondContact O-ND2 3.3Å
55T92.3Very high91.8Very high77 Ų7796.2 Ų96.247%0.47250%0.496SS..Hα-helixtrans-65.6-37.3173.863.30000112.3E51 T52 N58 S59E51-T55 WeakPolarHBondContact O-CG2 3.19Å; E51-T55 PolarHBondContact O-N 3.14Å; T52-T55 PolarHBondContact O-N 3.34Å; T52-T55 PolarHBondContact O-OG1 3.4Å; T55-N58 PolarHBondContact O-N 2.82Å; T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 3.49Å
56E91.8Very high91.8Very high121 Ų12197.3 Ų97.357%0.56550%0.501SS*.Hα-helixtrans-65.9-45.9175.6-175.4176-168.400111.8T52 Q53 K54 N58 S59 L60T52-E56 PolarHBondContact O-N 2.93Å; Q53-E56 PolarHBondContact O-N 3.3Å; K54-E56 VanDerWaalsContact C-N 3.35Å; E56-N58 VanDerWaalsContact C-N 3.32Å; E56-N58 PolarHBondContact O-N 3.24Å; E56-S59 WeakPolarHBondContact O-CB 3.12Å; E56-S59 PolarHBondContact O-N 3Å; E56-S59 VanDerWaalsContact O-N 3.17Å; E56-L60 HydrophobicContact CG-CD1 4.23Å; E56-L60 WeakPolarHBondContact O-CG 3.49Å; E56-L60 PolarHBondContact O-N 3.36Å
57I89.1Confident91.7Very high102 Ų10296.8 Ų96.852%0.52350%0.498SS..Hα-helixtrans-59.3-44.1175.8-70.9168.1000110.8Q53 S59 L60 R61Q53-I57 VanDerWaalsContact O-CG1 3.32Å; Q53-I57 WeakPolarHBondContact O-CG1 3.17Å; Q53-I57 PolarHBondContact O-N 3.36Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 2.71Å; I57-R61 WeakPolarHBondContact O-CB 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 3.38Å
58N94.3Very high91.6Very high78 Ų7895.4 Ų95.442%0.41750%0.498SS..Hα-helixtrans-64.6-38.9177.1-73.4-28.2000112.1K54 T55 E56 R61 C62K54-N58 WeakPolarHBondContact O-CB 3.24Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.5Å; K54-N58 PolarHBondContact O-ND2 3.3Å; T55-N58 PolarHBondContact O-N 2.82Å; E56-N58 VanDerWaalsContact C-N 3.32Å; E56-N58 PolarHBondContact O-N 3.24Å; N58-R61 PolarHBondContact O-N 3.43Å; N58-C62 PolarHBondContact O-N 2.82Å; N58-C62 PolarHBondContact O-SG 2.89Å
59S94.3Very high91.6Very high80 Ų8096.3 Ų96.356%0.55950%0.5SS*.Hα-helixtrans-63.2-46.1174.5-177.50000111.9T55 E56 I57 R61 C62 R63T55-S59 WeakPolarHBondContact O-CB 3.35Å; T55-S59 PolarHBondContact O-N 3.49Å; E56-S59 WeakPolarHBondContact O-CB 3.12Å; E56-S59 PolarHBondContact O-N 3Å; E56-S59 VanDerWaalsContact O-N 3.17Å; I57-S59 VanDerWaalsContact C-N 3.34Å; I57-S59 PolarHBondContact O-N 3.42Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 2.92Å; S59-C62 PolarHBondContact O-N 2.92Å; S59-R63 PolarHBondContact O-N 3.3Å
60L87.6Confident91.6Very high94 Ų9498.2 Ų98.249%0.49251%0.505SS..Hα-helixtrans-64.1-37.8176.5-70.6174.2000112.1E56 I57 R63 N64E56-L60 HydrophobicContact CG-CD1 4.23Å; E56-L60 WeakPolarHBondContact O-CG 3.49Å; E56-L60 PolarHBondContact O-N 3.36Å; I57-L60 PolarHBondContact O-N 2.71Å; L60-R63 PolarHBondContact O-N 3.37Å; L60-N64 WeakPolarHBondContact O-CB 3.36Å; L60-N64 PolarHBondContact O-N 3.44Å
61R94Very high91.3Very high146 Ų14699.9 Ų99.955%0.55151%0.51SS*.Hα-helixtrans-60.7-49172.4-81.1-170.859.6-164.8-9112I57 N58 S59 R63 N64 E65I57-R61 WeakPolarHBondContact O-CB 3.18Å; I57-R61 WeakPolarHBondContact O-CG 3.37Å; I57-R61 PolarHBondContact O-N 3.38Å; N58-R61 PolarHBondContact O-N 3.43Å; S59-R61 VanDerWaalsContact C-N 3.33Å; S59-R61 PolarHBondContact O-N 2.92Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.94Å; R61-N64 PolarHBondContact O-N 3.43Å; R61-E65 IonicContact NH2-OE1 2.56Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.97Å
62C93.1Very high91.1Very high81 Ų81101.5 Ų101.555%0.54752%0.517SS..Hα-helixtrans-59-40.5176.2-65.80000111.4N58 S59 E65 E66N58-C62 PolarHBondContact O-N 2.82Å; N58-C62 PolarHBondContact O-SG 2.89Å; S59-C62 PolarHBondContact O-N 2.92Å; C62-E65 PolarHBondContact O-N 3.13Å; C62-E66 PolarHBondContact O-N 3.47Å
63R92.9Very high90.9Very high104 Ų104100.3 Ų100.339%0.39251%0.512SS..Hα-helixtrans-67-37.6177.6-177.260.4-175.2120.69.1112.8S59 L60 R61 E66 L67S59-R63 PolarHBondContact O-N 3.3Å; L60-R63 PolarHBondContact O-N 3.37Å; R61-R63 VanDerWaalsContact C-N 3.27Å; R61-R63 PolarHBondContact O-N 2.94Å; R63-E66 WeakPolarHBondContact CD-OE2 3.4Å; R63-E66 IonicContact CZ-OE2 3.65Å; R63-E66 IonicContact NE-OE2 2.64Å; R63-E66 IonicContact NH1-OE2 3.44Å; R63-E66 PolarHBondContact NH1-OE2 3.06Å; R63-E66 PolarHBondContact O-N 2.88Å; R63-L67 WeakPolarHBondContact O-CB 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.28Å; R63-L67 PolarHBondContact O-N 3.07Å
64N84.5Confident90.4Very high99 Ų9997.5 Ų97.553%0.52950%0.504SS..Hα-helixtrans-67.2-42.3174.7-80.4-16.5000111.5L60 R61 E66 L67 V68L60-N64 WeakPolarHBondContact O-CB 3.36Å; L60-N64 PolarHBondContact O-N 3.44Å; R61-N64 PolarHBondContact O-N 3.43Å; N64-E66 VanDerWaalsContact C-N 3.33Å; N64-E66 PolarHBondContact O-N 2.65Å; N64-L67 PolarHBondContact O-N 2.93Å; N64-V68 VanDerWaalsContact O-CG2 3.31Å; N64-V68 WeakPolarHBondContact O-CG2 3.31Å; N64-V68 PolarHBondContact O-N 3.26Å
65E94Very high90.2Very high107 Ų10796.3 Ų96.350%0.550%0.501SS..Hα-helixtrans-59.1-43.9174.4-72.2167.1-16400110.9R61 C62 V68 V69R61-E65 IonicContact NH2-OE1 2.56Å; R61-E65 WeakPolarHBondContact O-CG 3.21Å; R61-E65 PolarHBondContact O-N 2.97Å; C62-E65 PolarHBondContact O-N 3.13Å; E65-V68 PolarHBondContact O-N 2.9Å; E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.23Å; E65-V69 VanDerWaalsContact O-N 3.14Å
66E91.2Very high90.1Very high116 Ų11698.9 Ų98.954%0.54251%0.511SS..Hα-helixtrans-62.5-42.8174.4-172.6-169.2-16300112.8C62 R63 N64 V68 V69 Q70C62-E66 PolarHBondContact O-N 3.47Å; R63-E66 WeakPolarHBondContact CD-OE2 3.4Å; R63-E66 IonicContact CZ-OE2 3.65Å; R63-E66 IonicContact NE-OE2 2.64Å; R63-E66 IonicContact NH1-OE2 3.44Å; R63-E66 PolarHBondContact NH1-OE2 3.06Å; R63-E66 PolarHBondContact O-N 2.88Å; N64-E66 VanDerWaalsContact C-N 3.33Å; N64-E66 PolarHBondContact O-N 2.65Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.13Å; E66-V69 PolarHBondContact O-N 3.24Å; E66-Q70 WeakPolarHBondContact O-CB 3.33Å; E66-Q70 PolarHBondContact O-N 3.34Å
67L85Confident90.2Very high73 Ų73100.7 Ų100.738%0.38251%0.512SS..Hα-helixtrans-63.9-38.2177.3-81.6174.8000112.6R63 N64 Q70 L71R63-L67 WeakPolarHBondContact O-CB 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.28Å; R63-L67 PolarHBondContact O-N 3.07Å; N64-L67 PolarHBondContact O-N 2.93Å; L67-Q70 PolarHBondContact O-N 2.97Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.21Å
68V91.9Very high90Very high94 Ų9499.9 Ų99.957%0.5751%0.509SS*.Hα-helixtrans-63.8-46.7176.4169.60000110.5N64 E65 E66 Q70 L71 E72N64-V68 VanDerWaalsContact O-CG2 3.31Å; N64-V68 WeakPolarHBondContact O-CG2 3.31Å; N64-V68 PolarHBondContact O-N 3.26Å; E65-V68 PolarHBondContact O-N 2.9Å; E66-V68 VanDerWaalsContact C-N 3.34Å; E66-V68 PolarHBondContact O-N 3.13Å; V68-Q70 VanDerWaalsContact C-N 3.3Å; V68-Q70 PolarHBondContact O-N 2.94Å; V68-L71 WeakPolarHBondContact O-CB 3.2Å; V68-L71 PolarHBondContact O-N 3.31Å; V68-E72 PolarHBondContact O-N 2.99Å
69V91.9Very high89.9Confident92 Ų9299.2 Ų99.256%0.55851%0.505SS*.Hα-helixtrans-61.3-40.1175.8173.70000111.3E65 E66 E72 S73E65-V69 WeakPolarHBondContact O-CG2 3.36Å; E65-V69 PolarHBondContact O-N 3.23Å; E65-V69 VanDerWaalsContact O-N 3.14Å; E66-V69 PolarHBondContact O-N 3.24Å; V69-E72 PolarHBondContact O-N 3.37Å; V69-S73 WeakPolarHBondContact O-CB 3.32Å; V69-S73 PolarHBondContact O-N 3.2Å
70Q92.5Very high90Very high111 Ų111100.8 Ų100.852%0.51950%0.503SS..Hα-helixtrans-64.9-41176.7-167.7172.820.600111.9E66 L67 V68 S73 S74E66-Q70 WeakPolarHBondContact O-CB 3.33Å; E66-Q70 PolarHBondContact O-N 3.34Å; L67-Q70 PolarHBondContact O-N 2.97Å; V68-Q70 VanDerWaalsContact C-N 3.3Å; V68-Q70 PolarHBondContact O-N 2.94Å; Q70-S73 PolarHBondContact O-N 2.9Å; Q70-S73 PolarHBondContact O-OG 3.38Å; Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 3.48Å
71L84Confident89.9Confident121 Ų12199.6 Ų99.663%0.63450%0.5SS*.Hα-helixtrans-61.4-48175.1-168.6106.3000110.8L67 V68 S73 S74 Q75L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 PolarHBondContact O-N 3.21Å; V68-L71 WeakPolarHBondContact O-CB 3.2Å; V68-L71 PolarHBondContact O-N 3.31Å; L71-S73 PolarHBondContact O-N 2.95Å; L71-S74 WeakPolarHBondContact CA-OG 3.48Å; L71-S74 PolarHBondContact O-N 3.45Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.49Å; L71-Q75 WeakPolarHBondContact O-CB 3.36Å; L71-Q75 PolarHBondContact O-N 2.86Å
72E91.5Very high89.9Confident136 Ų13697.9 Ų97.964%0.63650%0.496SS*.Hα-helixtrans-58.6-44.8177-171.5176.3-172.700111.8V68 V69 S74 Q75 L76V68-E72 PolarHBondContact O-N 2.99Å; V69-E72 PolarHBondContact O-N 3.37Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.44Å; E72-Q75 PolarHBondContact O-N 3.45Å; E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 PolarHBondContact O-N 2.93Å
73S88.6Confident90Very high53 Ų5399.8 Ų99.837%0.37150%0.497SS..Hα-helixtrans-63.4-32175.782.20000113.5V69 Q70 L71 R77V69-S73 WeakPolarHBondContact O-CB 3.32Å; V69-S73 PolarHBondContact O-N 3.2Å; Q70-S73 PolarHBondContact O-N 2.9Å; Q70-S73 PolarHBondContact O-OG 3.38Å; L71-S73 PolarHBondContact O-N 2.95Å; S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 PolarHBondContact O-NE 3.43Å
74S80.5Confident90.1Very high48 Ų4898.8 Ų98.834%0.33650%0.499SS..Hα-helixtrans-77.4-37.4178.171.50000111.6Q70 L71 E72 R77 L78Q70-S74 PolarHBondContact O-N 2.96Å; Q70-S74 PolarHBondContact O-OG 3.48Å; L71-S74 WeakPolarHBondContact CA-OG 3.48Å; L71-S74 PolarHBondContact O-N 3.45Å; L71-S74 VanDerWaalsContact O-N 3.08Å; L71-S74 PolarHBondContact O-OG 3.49Å; E72-S74 VanDerWaalsContact C-N 3.28Å; E72-S74 PolarHBondContact O-N 3.44Å; S74-R77 PolarHBondContact O-N 2.89Å; S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 2.91Å; S74-L78 VanDerWaalsContact O-N 3.08Å
75Q88.7Confident90.4Very high90 Ų90100 Ų10042%0.42150%0.5SS..Hα-helixtrans-63.8-46174.8-174.857.946.200110.6L71 E72 R77 L78 D79L71-Q75 WeakPolarHBondContact O-CB 3.36Å; L71-Q75 PolarHBondContact O-N 2.86Å; E72-Q75 PolarHBondContact O-N 3.45Å; Q75-R77 VanDerWaalsContact C-N 3.35Å; Q75-R77 PolarHBondContact O-N 2.85Å; Q75-L78 WeakPolarHBondContact O-CB 3.45Å; Q75-L78 PolarHBondContact O-N 3.25Å; Q75-L78 VanDerWaalsContact O-N 3.11Å; Q75-D79 VanDerWaalsContact NE2-CG 3.29Å; Q75-D79 PolarHBondContact NE2-OD1 3.45Å; Q75-D79 VanDerWaalsContact NE2-OD1 3.08Å; Q75-D79 PolarHBondContact NE2-OD2 3.47Å; Q75-D79 PolarHBondContact O-N 3.42Å
76L91.1Very high90.3Very high130 Ų13098.3 Ų98.368%0.68150%0.497SS*.Hα-helixtrans-61.9-39.3178.1-166.270.1000112.7E72 L78 D79 H80E72-L76 WeakPolarHBondContact O-CB 3.25Å; E72-L76 PolarHBondContact O-N 2.93Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-D79 PolarHBondContact O-N 3.32Å; L76-H80 WeakPolarHBondContact O-CB 3.16Å; L76-H80 PolarHBondContact O-N 3.37Å
77R93.1Very high90.4Very high160 Ų16097.6 Ų97.660%0.60449%0.494SS*.Hα-helixtrans-64.3-39.7173.9-81.5-176.5-70.2148.8-3.8112.5S73 S74 Q75 T81S73-R77 PolarHBondContact O-N 3.25Å; S73-R77 PolarHBondContact O-NE 3.43Å; S74-R77 PolarHBondContact O-N 2.89Å; Q75-R77 VanDerWaalsContact C-N 3.35Å; Q75-R77 PolarHBondContact O-N 2.85Å; R77-T81 WeakPolarHBondContact O-CB 3.47Å; R77-T81 PolarHBondContact O-N 2.94Å; R77-T81 PolarHBondContact O-OG1 3.44Å
78L85.6Confident90.8Very high85 Ų8598.7 Ų98.745%0.44550%0.497SS..Hα-helixtrans-68.9-40.5179.5-174.7146.4000110.8S74 Q75 L76 T81 K82S74-L78 WeakPolarHBondContact O-CB 3.42Å; S74-L78 PolarHBondContact O-N 2.91Å; S74-L78 VanDerWaalsContact O-N 3.08Å; Q75-L78 WeakPolarHBondContact O-CB 3.45Å; Q75-L78 PolarHBondContact O-N 3.25Å; Q75-L78 VanDerWaalsContact O-N 3.11Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L78-T81 PolarHBondContact O-N 3.42Å; L78-K82 HydrophobicContact CD2-CD 3.86Å; L78-K82 HydrophobicContact CD2-CG 4.39Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å
79D92.7Very high90.6Very high64 Ų6499.2 Ų99.234%0.34250%0.496SS..Hα-helixtrans-69.7-40.3176.6-67-26.8000112.2Q75 L76 T81 K82 E83Q75-D79 VanDerWaalsContact NE2-CG 3.29Å; Q75-D79 PolarHBondContact NE2-OD1 3.45Å; Q75-D79 VanDerWaalsContact NE2-OD1 3.08Å; Q75-D79 PolarHBondContact NE2-OD2 3.47Å; Q75-D79 PolarHBondContact O-N 3.42Å; L76-D79 PolarHBondContact O-N 3.32Å; D79-T81 VanDerWaalsContact C-N 3.3Å; D79-T81 PolarHBondContact O-N 3.08Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 IonicContact OD1-NZ 2.82Å; D79-K82 PolarHBondContact OD1-NZ 2.92Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 2.72Å
80H95Very high90.7Very high113 Ų113102.1 Ų102.152%0.52350%0.497SS..Hα-helixtrans-57.7-43.1170.2-179.362.2000112L76 E83 L84L76-H80 WeakPolarHBondContact O-CB 3.16Å; L76-H80 PolarHBondContact O-N 3.37Å; H80-E83 PolarHBondContact O-N 2.88Å; H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.49Å; H80-L84 VanDerWaalsContact O-N 3.1Å
81T86.2Confident90.8Very high68 Ų68102 Ų10242%0.41750%0.497SS..Hα-helixtrans-66.6-41.3178.1-55.40000111.8R77 L78 D79 E83 L84 F85R77-T81 WeakPolarHBondContact O-CB 3.47Å; R77-T81 PolarHBondContact O-N 2.94Å; R77-T81 PolarHBondContact O-OG1 3.44Å; L78-T81 PolarHBondContact O-N 3.42Å; D79-T81 VanDerWaalsContact C-N 3.3Å; D79-T81 PolarHBondContact O-N 3.08Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.88Å; T81-L84 PolarHBondContact O-N 3.47Å; T81-F85 HydrophobicContact CG2-CD2 4.07Å; T81-F85 HydrophobicContact CG2-CE2 3.73Å; T81-F85 VanDerWaalsContact O-CD2 3.23Å; T81-F85 WeakPolarHBondContact O-CD2 3.29Å; T81-F85 PolarHBondContact O-N 3.29Å
82K93Very high91.1Very high110 Ų110101.7 Ų101.748%0.47849%0.49SS..Hα-helixtrans-60.2-42.5173.7-76.5172.4178.4159.70111.4L78 D79 L84 F85 V86L78-K82 HydrophobicContact CD2-CD 3.86Å; L78-K82 HydrophobicContact CD2-CG 4.39Å; L78-K82 WeakPolarHBondContact O-CG 3.41Å; L78-K82 PolarHBondContact O-N 2.95Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 IonicContact OD1-NZ 2.82Å; D79-K82 PolarHBondContact OD1-NZ 2.92Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.42Å; K82-F85 PolarHBondContact O-N 3Å; K82-V86 WeakPolarHBondContact O-CG2 3.45Å; K82-V86 PolarHBondContact O-N 3.11Å
83E95.2Very high91.1Very high121 Ų12199.7 Ų99.757%0.56548%0.483SS*.Hα-helixtrans-62.5-41.3179-175.4147.5-143.400111.8D79 H80 T81 F85 V86 Q87D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 2.72Å; H80-E83 PolarHBondContact O-N 2.88Å; T81-E83 VanDerWaalsContact C-N 3.31Å; T81-E83 PolarHBondContact O-N 2.88Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.23Å; E83-V86 PolarHBondContact O-N 3.26Å; E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 2.87Å
84L95Very high91.4Very high83 Ų83102.8 Ų102.844%0.43550%0.495SS..Hα-helixtrans-59.6-41.4172.9-68.5174.7000112.6H80 T81 K82 Q87 Q88H80-L84 WeakPolarHBondContact O-CG 3.5Å; H80-L84 PolarHBondContact O-N 3.49Å; H80-L84 VanDerWaalsContact O-N 3.1Å; T81-L84 PolarHBondContact O-N 3.47Å; K82-L84 VanDerWaalsContact C-N 3.34Å; K82-L84 PolarHBondContact O-N 3.42Å; L84-Q87 PolarHBondContact O-N 3.44Å; L84-Q88 WeakPolarHBondContact O-CG 3.34Å; L84-Q88 PolarHBondContact O-N 3.44Å
85F90.6Very high91.9Very high125 Ų125105.5 Ų105.555%0.54851%0.505SS..Hα-helixtrans-67.4-41.8176.2-78.9-61.3000112.6T81 K82 E83 Q87 Q88 L89T81-F85 HydrophobicContact CG2-CD2 4.07Å; T81-F85 HydrophobicContact CG2-CE2 3.73Å; T81-F85 VanDerWaalsContact O-CD2 3.23Å; T81-F85 WeakPolarHBondContact O-CD2 3.29Å; T81-F85 PolarHBondContact O-N 3.29Å; K82-F85 PolarHBondContact O-N 3Å; E83-F85 VanDerWaalsContact C-N 3.34Å; E83-F85 PolarHBondContact O-N 3.23Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.32Å; F85-Q88 PolarHBondContact O-N 3.46Å; F85-L89 WeakPolarHBondContact O-CG 3.48Å; F85-L89 PolarHBondContact O-N 2.97Å
86V93.2Very high91.8Very high71 Ų71105.1 Ų105.143%0.4351%0.505SS..Hα-helixtrans-61.5-39.4175.3170.40000110.7K82 E83 L89 R90K82-V86 WeakPolarHBondContact O-CG2 3.45Å; K82-V86 PolarHBondContact O-N 3.11Å; E83-V86 PolarHBondContact O-N 3.26Å; V86-L89 PolarHBondContact O-N 3.37Å; V86-R90 PolarHBondContact O-N 3.29Å
87Q93.6Very high91.7Very high101 Ų101102.2 Ų102.247%0.47250%0.496SS..Hα-helixtrans-65.6-44176.5-169.4160.59.200111.9E83 L84 F85 L89 R90 E91E83-Q87 WeakPolarHBondContact O-CB 3.39Å; E83-Q87 PolarHBondContact O-N 2.87Å; L84-Q87 PolarHBondContact O-N 3.44Å; F85-Q87 VanDerWaalsContact C-N 3.27Å; F85-Q87 PolarHBondContact O-N 3.32Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.97Å; Q87-R90 WeakPolarHBondContact O-CB 3.44Å; Q87-R90 PolarHBondContact O-N 3.21Å; Q87-E91 WeakPolarHBondContact O-CG 3.35Å; Q87-E91 PolarHBondContact O-N 3.03Å
88Q93Very high91.6Very high96 Ų96101.5 Ų101.545%0.44950%0.497SS..Hα-helixtrans-62.8-33.5174.5-75.7-174.3-4.100113.6L84 F85 K92L84-Q88 WeakPolarHBondContact O-CG 3.34Å; L84-Q88 PolarHBondContact O-N 3.44Å; F85-Q88 PolarHBondContact O-N 3.46Å; Q88-K92 WeakPolarHBondContact O-CG 3.35Å; Q88-K92 PolarHBondContact O-N 2.74Å; Q88-K92 VanDerWaalsContact O-N 3.13Å
89L88.3Confident91.5Very high106 Ų106102.7 Ų102.756%0.55550%0.503SS*.Hα-helixtrans-69-45.1174.2-73.4169.7000110.6F85 V86 Q87 E91 K92 D93F85-L89 WeakPolarHBondContact O-CG 3.48Å; F85-L89 PolarHBondContact O-N 2.97Å; V86-L89 PolarHBondContact O-N 3.37Å; Q87-L89 VanDerWaalsContact C-N 3.3Å; Q87-L89 PolarHBondContact O-N 2.97Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.09Å; L89-D93 PolarHBondContact O-N 2.89Å
90R92.9Very high91Very high152 Ų152105.5 Ų105.557%0.57451%0.514SS*.Hα-helixtrans-55.8-45173.6-106.1-173.6-87.3170-6.2112.3V86 Q87 K92 D93 I94V86-R90 PolarHBondContact O-N 3.29Å; Q87-R90 WeakPolarHBondContact O-CB 3.44Å; Q87-R90 PolarHBondContact O-N 3.21Å; R90-K92 VanDerWaalsContact C-N 3.34Å; R90-K92 PolarHBondContact O-N 2.73Å; R90-D93 PolarHBondContact O-N 3.43Å; R90-I94 VanDerWaalsContact O-CG1 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.31Å
91E94.2Very high90.4Very high110 Ų110102.4 Ų102.451%0.51451%0.508SS..Hα-helixtrans-61.9-40.3176.2-74.1175.5-174.400112.4Q87 L89 I94 L95Q87-E91 WeakPolarHBondContact O-CG 3.35Å; Q87-E91 PolarHBondContact O-N 3.03Å; L89-E91 VanDerWaalsContact C-N 3.32Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-I94 PolarHBondContact O-N 3.45Å; E91-L95 PolarHBondContact O-N 2.89Å
92K90.2Very high90.1Very high113 Ų113104 Ų10449%0.49151%0.511SS..Hα-helixtrans-68-39.4176.1-74.6-172.9-177.676.60112.2Q88 L89 R90 I94 L95 I96Q88-K92 WeakPolarHBondContact O-CG 3.35Å; Q88-K92 PolarHBondContact O-N 2.74Å; Q88-K92 VanDerWaalsContact O-N 3.13Å; L89-K92 PolarHBondContact O-N 3.46Å; L89-K92 VanDerWaalsContact O-N 3.09Å; R90-K92 VanDerWaalsContact C-N 3.34Å; R90-K92 PolarHBondContact O-N 2.73Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.1Å; K92-L95 WeakPolarHBondContact O-CB 3.43Å; K92-L95 PolarHBondContact O-N 3.47Å; K92-I96 VanDerWaalsContact O-CG1 3.25Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.45Å
93D93.2Very high89.1Confident94 Ų94103.3 Ų103.350%0.50352%0.515SS..Hα-helixtrans-65.5-37.2176.9-72.5-30.7000112.1L89 R90 I96 S97L89-D93 PolarHBondContact O-N 2.89Å; R90-D93 PolarHBondContact O-N 3.43Å; D93-I96 PolarHBondContact O-N 3.43Å; D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 2.82Å
94I93Very high88Confident118 Ų118101.4 Ų101.461%0.60552%0.516SS*.Hα-helixtrans-64.2-44.1172.4-67.8165.5000110.6R90 E91 K92 S97 K98R90-I94 VanDerWaalsContact O-CG1 3.3Å; R90-I94 WeakPolarHBondContact O-CG1 3.41Å; R90-I94 PolarHBondContact O-N 3.31Å; E91-I94 PolarHBondContact O-N 3.45Å; K92-I94 VanDerWaalsContact C-N 3.34Å; K92-I94 PolarHBondContact O-N 3.1Å; I94-S97 PolarHBondContact O-N 2.94Å; I94-K98 WeakPolarHBondContact O-CB 3.37Å; I94-K98 PolarHBondContact O-N 3.29Å
95L92.4Very high86.8Confident105 Ų105103.2 Ų103.255%0.5553%0.526SS..Hα-helixtrans-61.6-43.7175.4-95.4165.3000112.2E91 K92 K98 L99E91-L95 PolarHBondContact O-N 2.89Å; K92-L95 WeakPolarHBondContact O-CB 3.43Å; K92-L95 PolarHBondContact O-N 3.47Å; L95-K98 PolarHBondContact O-N 3.3Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.39Å
96I86.7Confident85.5Confident83 Ų83105 Ų10543%0.42654%0.536SS..Hα-helixtrans-61.8-45.8176.2-69.9164.4000110K92 D93 K98 L99 Q100K92-I96 VanDerWaalsContact O-CG1 3.25Å; K92-I96 WeakPolarHBondContact O-CG1 3.42Å; K92-I96 PolarHBondContact O-N 3.45Å; D93-I96 PolarHBondContact O-N 3.43Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 2.85Å; I96-L99 PolarHBondContact O-N 3.19Å; I96-Q100 HydrophobicContact CG2-CG 4.36Å; I96-Q100 WeakPolarHBondContact O-CB 3.45Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.47Å; I96-Q100 PolarHBondContact O-N 3.33Å
97S88.4Confident83.2Confident69 Ų69111.6 Ų111.648%0.48355%0.553SS.*Hα-helixtrans-61.2-40.9177.7-59.10000112D93 I94 Q100 A101D93-S97 WeakPolarHBondContact O-CB 3.48Å; D93-S97 PolarHBondContact O-N 2.87Å; D93-S97 PolarHBondContact O-OG 2.82Å; I94-S97 PolarHBondContact O-N 2.94Å; S97-Q100 PolarHBondContact O-N 3.16Å; S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 2.85Å
98K91.3Very high80.8Confident144 Ų144109.7 Ų109.763%0.62656%0.56SS**Hα-helixtrans-65.5-43.4176.3-170175.5-1781790111.8I94 L95 I96 A101 E102I94-K98 WeakPolarHBondContact O-CB 3.37Å; I94-K98 PolarHBondContact O-N 3.29Å; L95-K98 PolarHBondContact O-N 3.3Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 2.85Å; K98-A101 PolarHBondContact O-N 2.89Å; K98-E102 PolarHBondContact O-N 2.65Å
99L82.7Confident78.2Confident111 Ų111113.4 Ų113.458%0.58158%0.577SS**Hα-helixtrans-65.2-39175.7-72.5170.9000111.8L95 I96 E102 V103L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 3.39Å; I96-L99 PolarHBondContact O-N 3.19Å; L99-E102 PolarHBondContact O-N 2.68Å; L99-V103 WeakPolarHBondContact O-CB 3.44Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 3.2Å
100Q82.8Confident75.8Confident122 Ų122114.7 Ų114.757%0.5759%0.592SS**Hα-helixtrans-62.9-43.9174.3-75.8176.6-23.800111.6I96 S97 V103 S104I96-Q100 HydrophobicContact CG2-CG 4.36Å; I96-Q100 WeakPolarHBondContact O-CB 3.45Å; I96-Q100 VanDerWaalsContact O-CG 3.31Å; I96-Q100 WeakPolarHBondContact O-CG 3.47Å; I96-Q100 PolarHBondContact O-N 3.33Å; S97-Q100 PolarHBondContact O-N 3.16Å; Q100-V103 PolarHBondContact O-N 3.44Å; Q100-S104 PolarHBondContact O-N 2.87Å; Q100-S104 PolarHBondContact O-OG 2.87Å
101A81.9Confident73Confident48 Ų48116.1 Ų116.140%0.39761%0.606SS.*Hα-helixtrans-63.3-41175.500000112.3S97 K98 S104 N105S97-A101 WeakPolarHBondContact O-CB 3.32Å; S97-A101 PolarHBondContact O-N 2.85Å; K98-A101 PolarHBondContact O-N 2.89Å; A101-S104 PolarHBondContact O-N 2.81Å; A101-N105 WeakPolarHBondContact O-CB 3.45Å; A101-N105 PolarHBondContact O-N 2.86Å; A101-N105 PolarHBondContact O-ND2 3.48Å; A101-N105 PolarHBondContact O-OD1 2.83Å
102E79.5Confident69.9Low102 Ų102114 Ų11448%0.47761%0.613SS.*Hα-helixtrans-62.7-42.7175.3-159.572.2-134.300111.4K98 L99 S104 N105 E106K98-E102 PolarHBondContact O-N 2.65Å; L99-E102 PolarHBondContact O-N 2.68Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.37Å; E102-N105 PolarHBondContact O-N 3.44Å; E102-E106 PolarHBondContact O-N 2.89Å
103V73Confident67.2Low95 Ų95118.2 Ų118.258%0.57663%0.634SS**Hα-helixtrans-64-37.3175.7169.80000111.5L99 Q100 R107L99-V103 WeakPolarHBondContact O-CB 3.44Å; L99-V103 VanDerWaalsContact O-CG2 3.24Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 3.2Å; Q100-V103 PolarHBondContact O-N 3.44Å; V103-R107 WeakPolarHBondContact O-CB 3.44Å; V103-R107 PolarHBondContact O-N 3.43Å
104S71.9Confident64.2Low81 Ų81119.3 Ų119.357%0.56665%0.647SS**Hα-helixtrans-67.5-39.3173.6-66.20000112.3Q100 A101 E102 R107Q100-S104 PolarHBondContact O-N 2.87Å; Q100-S104 PolarHBondContact O-OG 2.87Å; A101-S104 PolarHBondContact O-N 2.81Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.37Å; S104-R107 PolarHBondContact O-N 3.18Å
105N69.8Low61.1Low121 Ų121122.8 Ų122.865%0.64766%0.66SS**Hα-helixtrans-71.3-37.6179.2-68.3-19.5000112.6A101 E102 R107A101-N105 WeakPolarHBondContact O-CB 3.45Å; A101-N105 PolarHBondContact O-N 2.86Å; A101-N105 PolarHBondContact O-ND2 3.48Å; A101-N105 PolarHBondContact O-OD1 2.83Å; E102-N105 PolarHBondContact O-N 3.44Å; N105-R107 PolarHBondContact O-N 2.91Å
106E63Low58Low164 Ų164122.5 Ų122.577%0.76667%0.673SS**Hα-helixtrans-69.1-25.3173.9-78.4-162.9158.500112.3E102 G108E102-E106 PolarHBondContact O-N 2.89Å; E106-G108 PolarHBondContact O-N 3.36Å
107R46.2Very low55.1Low209 Ų209123.9 Ų123.979%0.78969%0.69SS**SBendtrans-82.156175-151.8177.1-143.2-88.51.9110.6V103 S104 N105 E109V103-R107 WeakPolarHBondContact O-CB 3.44Å; V103-R107 PolarHBondContact O-N 3.43Å; S104-R107 PolarHBondContact O-N 3.18Å; N105-R107 PolarHBondContact O-N 2.91Å; R107-E109 PolarHBondContact O-N 2.82Å
108G43Very low52.3Low60 Ų60128.5 Ų128.562%0.61971%0.709SS**  trans-50.8122.7-178.700000112.9E106E106-G108 PolarHBondContact O-N 3.36Å
109E36.8Very low49.1Very low174 Ų174124.9 Ų124.981%0.81371%0.712SS**  trans-66.6133.4172.1-75.8-157.1141.200111.3R107 E111R107-E109 PolarHBondContact O-N 2.82Å; E109-E111 PolarHBondContact O-N 3.42Å
110P38.2Very low46.5Very low134 Ų134125.7 Ų125.787%0.8772%0.722SS**  trans-85.990.5165.432.4-26.6000108.9G112P110-G112 PolarHBondContact O-N 3.36Å
111E33.9Very low43.8Very low182 Ų182125.7 Ų125.785%0.8573%0.73SS**  trans-75.1112.5173.2-151.9179.9-172.600110.1E109E109-E111 PolarHBondContact O-N 3.42Å
112G29.6Very low41Very low65 Ų65128.1 Ų128.167%0.6774%0.744SS**  trans60.999.2146.500000119.9P110P110-G112 PolarHBondContact O-N 3.36Å
113Q33.9Very low38.4Very low201 Ų201129.3 Ų129.394%0.93976%0.763SS**  trans-150.3103.5146-111.2175.1-39.200111.5
114P30.4Very low36.1Very low117 Ų117132.5 Ų132.576%0.7678%0.776SS**  trans-90.1159163.433.7-26.3000110.9
115E26.9Very low34.1Very low191 Ų191136.1 Ų136.189%0.89379%0.787SS**  trans9889.9174.3-53.9-163.4169.300117.5
116A27Very low32.1Very low99 Ų99137.3 Ų137.382%0.81879%0.794SS**  52.5131.7119.600000121
117S25.7Very low30.3Very low113 Ų113137.8 Ų137.879%0.7980%0.801SS**  trans83.193.5148.2-165.80000116.9
118L31.4Very low29.3Very low166 Ų166133.2 Ų133.287%0.86980%0.801SS**  trans-17595133.3-98145.4000109.2
119G22.6Very low28.4Very low68 Ų68135 Ų13570%0.70181%0.81SS**  trans-74143.8148.100000108.3
120T29.2Very low27.8Very low127 Ų127132.9 Ų132.978%0.77981%0.809SS**  trans172.9109.5148.7-80.10000109.3
121T25.7Very low27.4Very low122 Ų122136.2 Ų136.275%0.74881%0.81SS**  trans77.2103.6134.5-49.90000121
122S23Very low27Very low99 Ų99133.7 Ų133.769%0.69281%0.813SS**  40.4116.8117-1660000119
123C25.1Very low26.9Very low127 Ų127133.9 Ų133.986%0.85882%0.815SS**  -157.3120.9129.8-91.20000110.3
124L23.9Very low26.5Very low162 Ų162133.2 Ų133.285%0.84882%0.816SS**  trans-81.1129.9164.6-74.1157.1000108.8
125I31.1Very low26.4Very low158 Ų158138.3 Ų138.381%0.8182%0.821SS**  trans-139.9121.4155.1-60.8-175.7000109.4
126D26.4Very low26.4Very low146 Ų146137.1 Ų137.178%0.78182%0.815SS**  trans-61.8137.6175.2-66.7-54000113.3
127N25.6Very low26.2Very low174 Ų174143.4 Ų143.493%0.9382%0.819SS**  trans-114.5101.2162.1-87.5-23.2000108.8
128S25.9Very low26.5Very low113 Ų113143.5 Ų143.579%0.7982%0.817SS**  trans-112.6145.816768.80000110.6
129A23.5Very low26.3Very low96 Ų96142.7 Ų142.779%0.79381%0.814SS**  trans-57.2132.8-167.200000115.5
130T25Very low26.8Very low130 Ų130147.2 Ų147.280%0.79882%0.821SS**  trans-164.9117.8142.2-12.10000110.7
131K29Very low26.6Very low204 Ų204145.7 Ų145.789%0.88782%0.821SS**  164.999.4128.3-90.9166.9179.1176.20111.8
132S25.3Very low27.1Very low130 Ų130145.1 Ų145.191%0.90982%0.822SS**  trans-64.2138.2144.91640000109.1
133G27.7Very low27.4Very low69 Ų69146.2 Ų146.271%0.71182%0.82SS**  trans164.250.7175.700000114.9R135G133-R135 PolarHBondContact O-N 3.39Å
134L26.7Very low27.6Very low187 Ų187145.9 Ų145.998%0.97981%0.81SS**  trans-68.2105.8171.5-174.470.2000109.4
135R27.9Very low28.1Very low224 Ų224147.8 Ų147.885%0.84581%0.814SS**  trans-124103.9173.5-148.7-177.1-165.5-113.33.7110.1G133G133-R135 PolarHBondContact O-N 3.39Å
136Q26.6Very low27.8Very low165 Ų165147.8 Ų147.877%0.77181%0.811SS**  trans49.6113.9142.3-136.4161.211.700119.9
137Y22.2Very low27.8Very low231 Ų231146.4 Ų146.491%0.90681%0.807SS**  trans-45.8133.2166.8-84-104.7000114.3
138P33.5Very low28.4Very low115 Ų115143.2 Ų143.275%0.74780%0.796SS**  trans-92.2118154.9614.3000109.9
139D26Very low28.5Very low150 Ų150142.8 Ų142.880%0.80279%0.793SS**  trans-68.4116.7168.3-170.19.7000109.3
140L34.1Very low28.8Very low163 Ų163144.3 Ų144.385%0.85379%0.793SS**  trans-120.286.7170-71.1179.8000108.6
141A25.3Very low29.3Very low94 Ų94144.1 Ų144.178%0.77779%0.791SS**  trans-75.6117.6156.200000109
142S34.3Very low29.4Very low110 Ų110139.8 Ų139.877%0.76979%0.786SS**  trans-171.3138.8171-164.20000106.2
143D29.7Very low29.8Very low122 Ų122141.6 Ų141.665%0.65278%0.78SS**  cis-171.8138.1-16.2-161.21.1000103.6
144N29.6Very low30.1Very low121 Ų121144.1 Ų144.165%0.64779%0.786SS**  trans26.9103.9156-61.7-15.6000120.6
145H34.2Very low30.7Very low201 Ų201141.6 Ų141.693%0.93177%0.774SS**  trans-120.8120.8143.2-78.72.5000109.6
146Q25.3Very low31.3Very low159 Ų159135.3 Ų135.374%0.74378%0.779SS**  trans-125.5114-160.9168.711642.500108.3
147V27.4Very low32.1Very low117 Ų117133 Ų13371%0.70978%0.776SS**  trans70.8157.6145.5-176.60000116.4
148P36.3Very low33.3Very low107 Ų107126.7 Ų126.770%0.69576%0.761SS**  cis-132.8162.4-5.420.74.4000118
149S29.9Very low35.3Very low103 Ų103124.8 Ų124.872%0.7275%0.748SS**  trans57.7125.2133.1-58.60000124.6
150T29.6Very low37.2Very low129 Ų129126.3 Ų126.379%0.79174%0.742SS**  trans69.588.2136.461.50000119.2
151V34.5Very low39.1Very low126 Ų126124 Ų12476%0.76473%0.727SS**  trans-142.5122.8134.4-179.40000107.8H153V151-H153 VanDerWaalsContact CG1-CD2 3.5Å; V151-H153 WeakPolarHBondContact CG1-CD2 3.39Å
152S31.1Very low41.4Very low113 Ų113124.4 Ų124.479%0.7971%0.713SS**  trans-93103.2178.8-1710000108.2
153H34.2Very low43.4Very low168 Ų168122.7 Ų122.778%0.77870%0.695SS**  trans-124.4100.5160-76.6-67.6000107.5V151 D155V151-H153 VanDerWaalsContact CG1-CD2 3.5Å; V151-H153 WeakPolarHBondContact CG1-CD2 3.39Å; H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 2.86Å; H153-D155 VanDerWaalsContact O-N 3.16Å
154S34.3Very low46.1Very low121 Ų121121.5 Ų121.585%0.84668%0.684SS**  trans-74.784.6166.352.40000108.3
155D38Very low48.5Very low135 Ų135119.8 Ų119.872%0.72268%0.678SS**  trans-115.8134.5161.9-120.9-19.3000106.6H153 T157H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 2.86Å; H153-D155 VanDerWaalsContact O-N 3.16Å; D155-T157 PolarHBondContact O-N 3.41Å; D155-T157 PolarHBondContact O-OG1 2.99Å
156G42Very low50.9Low91 Ų91115 Ų11594%0.93866%0.656SS**SBendtrans-56.251.9-162.600000117.8
157T42.4Very low53.8Low116 Ų116110 Ų11071%0.71264%0.636SS**  trans-106110.8-178.4-17.30000106.8D155 T159D155-T157 PolarHBondContact O-N 3.41Å; D155-T157 PolarHBondContact O-OG1 2.99Å; T157-T159 PolarHBondContact O-N 3.46Å; T157-T159 VanDerWaalsContact O-N 3.09Å
158V47.9Very low56.8Low99 Ų99108.9 Ų108.960%0.663%0.629SS**  trans-35.4116.1174.5176.90000109.6E162V158-E162 HydrophobicContact CG1-CB 3.97Å
159T75.2Confident59.2Low75 Ų75110.2 Ų110.246%0.4663%0.626SS.*  trans-66.5146.5-174.960.80000109.1T157 E161 E162 L163T157-T159 PolarHBondContact O-N 3.46Å; T157-T159 VanDerWaalsContact O-N 3.09Å; T159-E161 PolarHBondContact O-N 3.31Å; T159-E162 PolarHBondContact N-OE2 2.84Å; T159-E162 WeakPolarHBondContact O-CB 3.37Å; T159-E162 PolarHBondContact O-N 3.26Å; T159-E162 VanDerWaalsContact OG1-CD 3.26Å; T159-E162 VanDerWaalsContact OG1-CG 3.26Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.49Å; T159-E162 PolarHBondContact OG1-OE2 3.26Å; T159-L163 PolarHBondContact O-N 3.44Å
160W66.9Low62Low182 Ų182110.1 Ų110.169%0.68962%0.617SS**Hα-helixtrans-54.2-27.1176.5177.9-111000112.9L163 K164W160-L163 HydrophobicContact CE3-CD2 3.95Å; W160-L163 HydrophobicContact CZ3-CD2 3.86Å; W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.97Å
161E74.4Confident64.8Low115 Ų115112.2 Ų112.254%0.53761%0.611SS.*Hα-helixtrans-75.1-37.8176.8-151.560.4-155.400112.1T159 K164 T165T159-E161 PolarHBondContact O-N 3.31Å; E161-K164 WeakPolarHBondContact O-CB 3.41Å; E161-K164 PolarHBondContact O-N 3.36Å; E161-K164 IonicContact OE2-NZ 2.65Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å; E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3Å; E161-T165 VanDerWaalsContact O-OG1 3.04Å
162E72.2Confident67.3Low103 Ų103108.8 Ų108.848%0.48160%0.595SS.*Hα-helixtrans-62.6-45.1170.9-76.3164.1151.700111.5V158 T159 K164 T165 E166V158-E162 HydrophobicContact CG1-CB 3.97Å; T159-E162 PolarHBondContact N-OE2 2.84Å; T159-E162 WeakPolarHBondContact O-CB 3.37Å; T159-E162 PolarHBondContact O-N 3.26Å; T159-E162 VanDerWaalsContact OG1-CD 3.26Å; T159-E162 VanDerWaalsContact OG1-CG 3.26Å; T159-E162 WeakPolarHBondContact OG1-CG 3.47Å; T159-E162 PolarHBondContact OG1-N 3.49Å; T159-E162 PolarHBondContact OG1-OE2 3.26Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 3.28Å; E162-T165 VanDerWaalsContact C-OG1 3.3Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-N 3.43Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-T165 PolarHBondContact O-OG1 3.32Å; E162-E166 WeakPolarHBondContact O-CB 3.32Å; E162-E166 PolarHBondContact O-N 3.34Å
163L76.9Confident69.8Low73 Ų73107.2 Ų107.238%0.38258%0.575SS.*Hα-helixtrans-62.1-37.7175.3-174.866.8000111.3T159 W160 E166 V167T159-L163 PolarHBondContact O-N 3.44Å; W160-L163 HydrophobicContact CE3-CD2 3.95Å; W160-L163 HydrophobicContact CZ3-CD2 3.86Å; L163-E166 PolarHBondContact O-N 3.32Å; L163-V167 WeakPolarHBondContact O-CB 3.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.92Å
164K86.4Confident72.1Confident98 Ų98104.9 Ų104.943%0.42657%0.568SS.*Hα-helixtrans-62.6-46.1172.3-101.4178.1178173.60111.9W160 E161 E162 E166 V167 V168W160-K164 WeakPolarHBondContact O-CB 3.43Å; W160-K164 PolarHBondContact O-N 2.97Å; E161-K164 WeakPolarHBondContact O-CB 3.41Å; E161-K164 PolarHBondContact O-N 3.36Å; E161-K164 IonicContact OE2-NZ 2.65Å; E161-K164 PolarHBondContact OE2-NZ 3.21Å; E162-K164 VanDerWaalsContact C-N 3.28Å; E162-K164 PolarHBondContact O-N 3.28Å; K164-E166 VanDerWaalsContact C-N 3.32Å; K164-V167 PolarHBondContact O-N 3.43Å; K164-V168 WeakPolarHBondContact O-CB 3.28Å; K164-V168 VanDerWaalsContact O-CG2 3.25Å; K164-V168 WeakPolarHBondContact O-CG2 3.42Å; K164-V168 PolarHBondContact O-N 3.04Å
165T80.4Confident74.5Confident84 Ų84102.8 Ų102.852%0.51555%0.55SS.*Hα-helixtrans-62.9-40.4176.635.20000111.7E161 E162 V168 Q169E161-T165 PolarHBondContact O-N 3.09Å; E161-T165 PolarHBondContact O-OG1 3Å; E161-T165 VanDerWaalsContact O-OG1 3.04Å; E162-T165 VanDerWaalsContact C-OG1 3.3Å; E162-T165 WeakPolarHBondContact CA-OG1 3.47Å; E162-T165 PolarHBondContact O-N 3.43Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-T165 PolarHBondContact O-OG1 3.32Å; T165-V168 WeakPolarHBondContact O-CB 3.37Å; T165-V168 PolarHBondContact O-N 2.91Å; T165-Q169 WeakPolarHBondContact O-CB 3.45Å; T165-Q169 PolarHBondContact O-N 3.15Å
166E83.5Confident76.7Confident101 Ų101102.5 Ų102.547%0.47254%0.542SS..Hα-helixtrans-65.7-42.7176.5-167.6177.9-17400111.3E162 L163 K164 V168 Q169 L170E162-E166 WeakPolarHBondContact O-CB 3.32Å; E162-E166 PolarHBondContact O-N 3.34Å; L163-E166 PolarHBondContact O-N 3.32Å; K164-E166 VanDerWaalsContact C-N 3.32Å; E166-V168 VanDerWaalsContact C-N 3.3Å; E166-V168 PolarHBondContact O-N 3.3Å; E166-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 VanDerWaalsContact O-N 3.15Å; E166-L170 HydrophobicContact CG-CD1 4.22Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.32Å; E166-L170 WeakPolarHBondContact O-CG 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å
167V86.6Confident78.5Confident54 Ų54105.8 Ų105.833%0.32753%0.527SS..Hα-helixtrans-63.1-36.5173.7169.20000111.6L163 K164 R171L163-V167 WeakPolarHBondContact O-CB 3.44Å; L163-V167 WeakPolarHBondContact O-CG2 3.28Å; L163-V167 PolarHBondContact O-N 2.92Å; K164-V167 PolarHBondContact O-N 3.43Å; V167-R171 WeakPolarHBondContact O-CB 3.28Å; V167-R171 VanDerWaalsContact O-CG 3.24Å; V167-R171 WeakPolarHBondContact O-CG 3.27Å; V167-R171 PolarHBondContact O-N 3.45Å
168V89.3Confident80.4Confident94 Ų94106.9 Ų106.957%0.5752%0.521SS*.Hα-helixtrans-67-41.4173.7168.90000110.8K164 T165 E166 R171 A172K164-V168 WeakPolarHBondContact O-CB 3.28Å; K164-V168 VanDerWaalsContact O-CG2 3.25Å; K164-V168 WeakPolarHBondContact O-CG2 3.42Å; K164-V168 PolarHBondContact O-N 3.04Å; T165-V168 WeakPolarHBondContact O-CB 3.37Å; T165-V168 PolarHBondContact O-N 2.91Å; E166-V168 VanDerWaalsContact C-N 3.3Å; E166-V168 PolarHBondContact O-N 3.3Å; V168-R171 PolarHBondContact O-N 2.71Å; V168-A172 PolarHBondContact O-N 3Å
169Q87.9Confident81.7Confident135 Ų135109.6 Ų109.663%0.63153%0.525SS*.Hα-helixtrans-68.7-42.7179.3-162.2168.84.200111.7T165 E166 R171 A172 E173T165-Q169 WeakPolarHBondContact O-CB 3.45Å; T165-Q169 PolarHBondContact O-N 3.15Å; E166-Q169 PolarHBondContact O-N 2.96Å; E166-Q169 VanDerWaalsContact O-N 3.15Å; Q169-R171 PolarHBondContact O-N 3.27Å; Q169-A172 CarbonylContact O-C 3.57Å; Q169-A172 WeakPolarHBondContact O-CB 3.48Å; Q169-A172 PolarHBondContact O-N 3.03Å; Q169-A172 VanDerWaalsContact O-N 3.12Å; Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 PolarHBondContact O-N 3.37Å
170L88.6Confident81.5Confident101 Ų101110.3 Ų110.353%0.52953%0.525SS..Hα-helixtrans-64.2-37.8173-72.2173.3000111.8E166 A172 E173 L174E166-L170 HydrophobicContact CG-CD1 4.22Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 VanDerWaalsContact O-CG 3.32Å; E166-L170 WeakPolarHBondContact O-CG 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-E173 PolarHBondContact O-N 2.94Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 PolarHBondContact O-N 3.26Å
171R89.1Confident81.5Confident173 Ų173104.4 Ų104.465%0.65352%0.515SS*.Hα-helixtrans-64.5-39.4171.1-78.3176.1-173.9165.74.6111.5V167 V168 Q169 L174 T175V167-R171 WeakPolarHBondContact O-CB 3.28Å; V167-R171 VanDerWaalsContact O-CG 3.24Å; V167-R171 WeakPolarHBondContact O-CG 3.27Å; V167-R171 PolarHBondContact O-N 3.45Å; V168-R171 PolarHBondContact O-N 2.71Å; Q169-R171 PolarHBondContact O-N 3.27Å; R171-L174 PolarHBondContact O-N 2.84Å; R171-T175 WeakPolarHBondContact O-CG2 3.42Å; R171-T175 PolarHBondContact O-N 3.04Å
172A86.4Confident80.9Confident53 Ų53105.5 Ų105.544%0.43852%0.518SS..Hα-helixtrans-65-47175.800000111.5V168 Q169 L170 L174 T175 K176V168-A172 PolarHBondContact O-N 3Å; Q169-A172 CarbonylContact O-C 3.57Å; Q169-A172 WeakPolarHBondContact O-CB 3.48Å; Q169-A172 PolarHBondContact O-N 3.03Å; Q169-A172 VanDerWaalsContact O-N 3.12Å; L170-A172 VanDerWaalsContact C-N 3.34Å; A172-L174 PolarHBondContact O-N 3.37Å; A172-T175 PolarHBondContact O-N 2.83Å; A172-T175 PolarHBondContact O-OG1 2.72Å; A172-K176 PolarHBondContact O-N 3.25Å
173E82.9Confident80.1Confident81 Ų81108.4 Ų108.438%0.37953%0.529SS..Hα-helixtrans-53-50.1170.9-85.2-83.813000111.1Q169 L170 T175 K176 W177Q169-E173 WeakPolarHBondContact O-CB 3.36Å; Q169-E173 PolarHBondContact O-N 3.37Å; L170-E173 PolarHBondContact O-N 2.94Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.44Å; E173-K176 CarbonylContact O-C 3.56Å; E173-K176 WeakPolarHBondContact O-CA 3.44Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.95Å; E173-W177 PolarHBondContact O-N 2.82Å; E173-W177 PolarHBondContact OE2-NE1 3.47Å
174L83.5Confident78.9Confident119 Ų119112.9 Ų112.962%0.62355%0.546SS*.Hα-helixtrans-63-36.5179.5-162147.5000111.8L170 R171 A172 K176 K178L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.41Å; L170-L174 PolarHBondContact O-N 3.26Å; R171-L174 PolarHBondContact O-N 2.84Å; A172-L174 PolarHBondContact O-N 3.37Å; L174-K176 VanDerWaalsContact C-N 3.33Å; L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 3.49Å
175T83.2Confident77Confident76 Ų76115.7 Ų115.747%0.46656%0.56SS.*Hα-helixtrans-68.7-30.8171.464.70000113.1R171 A172 E173 K179R171-T175 WeakPolarHBondContact O-CG2 3.42Å; R171-T175 PolarHBondContact O-N 3.04Å; A172-T175 PolarHBondContact O-N 2.83Å; A172-T175 PolarHBondContact O-OG1 2.72Å; E173-T175 VanDerWaalsContact C-N 3.31Å; E173-T175 PolarHBondContact O-N 3.44Å; T175-K179 WeakPolarHBondContact O-CB 3.4Å; T175-K179 VanDerWaalsContact O-CG 3.32Å; T175-K179 WeakPolarHBondContact O-CG 3.34Å; T175-K179 PolarHBondContact O-N 2.82Å
176K85.2Confident75.3Confident129 Ų129121.1 Ų121.156%0.56158%0.577SS**Hα-helixtrans-67.3-52.1175.4-140.2-178.5-174.2-176.50110.1A172 E173 L174 K178 K179 I180A172-K176 PolarHBondContact O-N 3.25Å; E173-K176 CarbonylContact O-C 3.56Å; E173-K176 WeakPolarHBondContact O-CA 3.44Å; E173-K176 WeakPolarHBondContact O-CB 3.42Å; E173-K176 PolarHBondContact O-N 2.95Å; L174-K176 VanDerWaalsContact C-N 3.33Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.19Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.34Å; K176-K179 VanDerWaalsContact O-N 3.13Å; K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 3.31Å
177W78.8Confident73.1Confident160 Ų160119.4 Ų119.461%0.60658%0.576SS**Hα-helixtrans-61.9-40.6175.3-68.6112.6000111.8E173 K179 I180 A181E173-W177 PolarHBondContact O-N 2.82Å; E173-W177 PolarHBondContact OE2-NE1 3.47Å; W177-K179 PolarHBondContact O-N 3.37Å; W177-I180 HydrophobicContact CE3-CD1 4.03Å; W177-I180 HydrophobicContact CZ3-CD1 4.27Å; W177-I180 PolarHBondContact O-N 2.97Å; W177-A181 WeakPolarHBondContact O-CB 3.47Å; W177-A181 PolarHBondContact O-N 3.18Å
178K82.3Confident71Confident139 Ų139121.7 Ų121.760%0.60459%0.594SS**Hα-helixtrans-63.4-37.6173.8-173.3173178.7171.60112.4L174 K176 K182L174-K178 WeakPolarHBondContact O-CB 3.43Å; L174-K178 PolarHBondContact O-N 3.49Å; K176-K178 VanDerWaalsContact C-N 3.34Å; K176-K178 PolarHBondContact O-N 3.19Å; K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.24Å
179K75.9Confident68.6Low157 Ų157124 Ų12468%0.68360%0.603SS**Hα-helixtrans-67.9-41.2173.7-80.7175.2-178.51750112T175 K176 W177 K182 K183T175-K179 WeakPolarHBondContact O-CB 3.4Å; T175-K179 VanDerWaalsContact O-CG 3.32Å; T175-K179 WeakPolarHBondContact O-CG 3.34Å; T175-K179 PolarHBondContact O-N 2.82Å; K176-K179 WeakPolarHBondContact O-CB 3.38Å; K176-K179 PolarHBondContact O-N 3.34Å; K176-K179 VanDerWaalsContact O-N 3.13Å; W177-K179 PolarHBondContact O-N 3.37Å; K179-K182 PolarHBondContact O-N 2.97Å; K179-K183 VanDerWaalsContact O-CB 3.3Å; K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 3.38Å
180I70.7Confident66.3Low90 Ų90122.9 Ų122.946%0.46260%0.602SS.*Hα-helixtrans-62.5-46.1175.4-66162.6000109.9K176 W177 K183 K184K176-I180 WeakPolarHBondContact O-CG1 3.4Å; K176-I180 PolarHBondContact O-N 3.31Å; W177-I180 HydrophobicContact CE3-CD1 4.03Å; W177-I180 HydrophobicContact CZ3-CD1 4.27Å; W177-I180 PolarHBondContact O-N 2.97Å; I180-K183 WeakPolarHBondContact O-CB 3.25Å; I180-K183 PolarHBondContact O-N 3.43Å; I180-K184 WeakPolarHBondContact O-CB 3.23Å; I180-K184 PolarHBondContact O-N 2.9Å
181A66.4Low64.2Low57 Ų57123.1 Ų123.147%0.47161%0.608SS.*Hα-helixtrans-62.5-44176.400000111.9W177 K183 K184 E185W177-A181 WeakPolarHBondContact O-CB 3.47Å; W177-A181 PolarHBondContact O-N 3.18Å; A181-K183 VanDerWaalsContact C-N 3.3Å; A181-K183 PolarHBondContact O-N 3.34Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 WeakPolarHBondContact O-CA 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 2.81Å; A181-K184 VanDerWaalsContact O-N 3.12Å; A181-E185 PolarHBondContact O-N 3.4Å
182K62Low62.4Low138 Ų138118.6 Ų118.660%0.660%0.603SS**Hα-helixtrans-65.9-32.8175.8-127.8177.9-176.4179.70112.6K178 K179 K184 K186K178-K182 WeakPolarHBondContact O-CB 3.43Å; K178-K182 PolarHBondContact O-N 3.24Å; K179-K182 PolarHBondContact O-N 2.97Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K182-K186 PolarHBondContact O-N 2.98Å; K182-K186 VanDerWaalsContact O-N 3.07Å
183K55.4Low60.6Low165 Ų165120 Ų12072%0.71761%0.609SS**Hα-helixtrans-68.3-36.9173-170.2176177.8-177.70110.8K179 I180 A181 S187K179-K183 VanDerWaalsContact O-CB 3.3Å; K179-K183 WeakPolarHBondContact O-CB 3.34Å; K179-K183 PolarHBondContact O-N 3.38Å; I180-K183 WeakPolarHBondContact O-CB 3.25Å; I180-K183 PolarHBondContact O-N 3.43Å; A181-K183 VanDerWaalsContact C-N 3.3Å; A181-K183 PolarHBondContact O-N 3.34Å; K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.88Å; K183-S187 PolarHBondContact O-OG 3.13Å
184K51.4Low59.1Low167 Ų167123.1 Ų123.173%0.72662%0.623SS**Hα-helixtrans-69-37.2174.8-165.3173.8179.51760112.3I180 A181 K182 S187I180-K184 WeakPolarHBondContact O-CB 3.23Å; I180-K184 PolarHBondContact O-N 2.9Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 WeakPolarHBondContact O-CA 3.31Å; A181-K184 WeakPolarHBondContact O-CB 3.42Å; A181-K184 PolarHBondContact O-N 2.81Å; A181-K184 VanDerWaalsContact O-N 3.12Å; K182-K184 VanDerWaalsContact C-N 3.34Å; K184-S187 PolarHBondContact O-OG 3.39Å
185E47.2Very low58.2Low157 Ų157123.3 Ų123.373%0.73462%0.621SS**Hα-helixtrans-73-32.3177.1-162.9178.4-161.900112.3A181A181-E185 PolarHBondContact O-N 3.4Å
186K45.8Very low57.6Low197 Ų197125.4 Ų125.486%0.85763%0.629SS**THydrogen-bonded Turntrans-87.9-0.6176.1-105.2176177.6-179.20115.5K182K182-K186 PolarHBondContact O-N 2.98Å; K182-K186 VanDerWaalsContact O-N 3.07Å
187S37Very low57.1Low65 Ų65124.8 Ų124.846%0.45563%0.631SS.*THydrogen-bonded Turntrans-103.718.1177.376.30000113.9K183 K184 D189 N190K183-S187 WeakPolarHBondContact O-CB 3.39Å; K183-S187 PolarHBondContact O-N 2.88Å; K183-S187 PolarHBondContact O-OG 3.13Å; K184-S187 PolarHBondContact O-OG 3.39Å; S187-D189 PolarHBondContact O-N 3.25Å; S187-N190 PolarHBondContact O-N 3.35Å
188S41.5Very low56.6Low103 Ų103121.8 Ų121.872%0.7263%0.627SS**THydrogen-bonded Turntrans-57.5-9.2178.8-171.80000114.8
189D39.9Very low56.3Low142 Ų142120 Ų12076%0.75962%0.623SS**THydrogen-bonded Turntrans-111.36.5-173.2-73-15.1000116.2S187S187-D189 PolarHBondContact O-N 3.25Å
190N39.4Very low56.6Low112 Ų112116.5 Ų116.560%0.59961%0.609SS**  trans-116.872.8-174.5-61.4-5.7000113.3S187 S192 S193S187-N190 PolarHBondContact O-N 3.35Å; N190-S192 PolarHBondContact O-N 3.49Å; N190-S193 PolarHBondContact O-N 3.02Å
191T44.5Very low56.9Low106 Ų106116.7 Ų116.765%0.6561%0.61SS**THydrogen-bonded Turntrans-49-17.1172.4-56.40000114.9
192S52.2Low57.9Low78 Ų78119.8 Ų119.855%0.54562%0.615SS.*Hα-helixtrans-74.1-26.6-179.268.20000114.9N190 Q195 L196N190-S192 PolarHBondContact O-N 3.49Å; S192-Q195 PolarHBondContact O-N 2.85Å; S192-L196 PolarHBondContact O-N 3.41Å
193S47Very low59.2Low81 Ų81119 Ų11957%0.56661%0.612SS**Hα-helixtrans-74.6-33.6-175.2-168.20000112.9N190 L196 L197N190-S193 PolarHBondContact O-N 3.02Å; S193-L196 PolarHBondContact O-N 3.34Å; S193-L197 PolarHBondContact O-N 3.31Å; S193-L197 VanDerWaalsContact O-N 3.17Å
194H51.1Low60.9Low148 Ų148115.8 Ų115.869%0.68560%0.599SS**Hα-helixtrans-70.2-34.2176.9-83-75.2000111.7L197 N198H194-L197 PolarHBondContact O-N 2.96Å; H194-N198 PolarHBondContact O-N 2.7Å; H194-N198 VanDerWaalsContact O-N 3.08Å
195Q66.2Low62.6Low123 Ų123111.7 Ų111.758%0.57558%0.584SS**Hα-helixtrans-66.2-41.1173.9-68.5-176.6-6.600111.5S192 L197 N198 I199S192-Q195 PolarHBondContact O-N 2.85Å; Q195-L197 PolarHBondContact O-N 3.05Å; Q195-N198 PolarHBondContact O-N 3.3Å; Q195-I199 WeakPolarHBondContact O-CB 3.45Å; Q195-I199 WeakPolarHBondContact O-CD1 3.41Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.42Å
196L70.4Confident64.7Low120 Ų120109 Ų10963%0.62857%0.572SS**Hα-helixtrans-63.6-40.1176.1-82.5167.6000113.1S192 S193 I199 E200S192-L196 PolarHBondContact O-N 3.41Å; S193-L196 PolarHBondContact O-N 3.34Å; L196-I199 PolarHBondContact O-N 3.16Å; L196-E200 PolarHBondContact O-N 3.18Å
197L73.2Confident66.9Low115 Ų115104.8 Ų104.860%0.60256%0.555SS**Hα-helixtrans-69.2-39.4178.7-17071.3000111.9S193 H194 Q195 E200 L201S193-L197 PolarHBondContact O-N 3.31Å; S193-L197 VanDerWaalsContact O-N 3.17Å; H194-L197 PolarHBondContact O-N 2.96Å; Q195-L197 PolarHBondContact O-N 3.05Å; L197-E200 PolarHBondContact O-N 3.29Å; L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.89Å
198N68.4Low69.5Low97 Ų97106.6 Ų106.652%0.51956%0.559SS.*Hα-helixtrans-65.5-41.3174.7-94.44.5000112H194 Q195 E200 L201 E202H194-N198 PolarHBondContact O-N 2.7Å; H194-N198 VanDerWaalsContact O-N 3.08Å; Q195-N198 PolarHBondContact O-N 3.3Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 3.29Å; N198-L201 PolarHBondContact O-N 3.36Å; N198-E202 WeakPolarHBondContact O-CB 3.38Å; N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 3.31Å
199I76.8Confident72Confident102 Ų102107 Ų10752%0.52355%0.548SS..Hα-helixtrans-61.4-40.2175.1-68.9162.2000110.8Q195 L196 K203Q195-I199 WeakPolarHBondContact O-CB 3.45Å; Q195-I199 WeakPolarHBondContact O-CD1 3.41Å; Q195-I199 WeakPolarHBondContact O-CG1 3.46Å; Q195-I199 PolarHBondContact O-N 3.42Å; L196-I199 PolarHBondContact O-N 3.16Å; I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.45Å; I199-K203 PolarHBondContact O-N 3.19Å
200E82.3Confident74.5Confident83 Ų83108.8 Ų108.839%0.38854%0.544SS..Hα-helixtrans-67.6-39.7176.4-176.657.9-15000112L196 L197 N198 K203 Q204L196-E200 PolarHBondContact O-N 3.18Å; L197-E200 PolarHBondContact O-N 3.29Å; N198-E200 VanDerWaalsContact C-N 3.29Å; N198-E200 PolarHBondContact O-N 3.29Å; E200-K203 PolarHBondContact O-N 3.04Å; E200-Q204 WeakPolarHBondContact O-CG 3.39Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 3.07Å
201L77.2Confident77.2Confident94 Ų94108.1 Ų108.149%0.49254%0.537SS..Hα-helixtrans-67.6-44.4177.9-165.871.7000111.7L197 N198 K203 Q204 I205L197-L201 WeakPolarHBondContact O-CB 3.44Å; L197-L201 PolarHBondContact O-N 2.89Å; N198-L201 PolarHBondContact O-N 3.36Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.32Å; L201-Q204 PolarHBondContact O-N 3.13Å; L201-I205 HydrophobicContact CG-CD1 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.22Å
202E87Confident79.4Confident123 Ų123107 Ų10758%0.57553%0.53SS*.Hα-helixtrans-59.9-40.8173.8-76.6177.3-17900111.1N198 Q204 I205 E206N198-E202 WeakPolarHBondContact O-CB 3.38Å; N198-E202 WeakPolarHBondContact O-CG 3.42Å; N198-E202 PolarHBondContact O-N 3.31Å; E202-Q204 PolarHBondContact O-N 3.13Å; E202-I205 PolarHBondContact O-N 2.98Å; E202-E206 WeakPolarHBondContact O-CG 3.46Å; E202-E206 PolarHBondContact O-N 3.49Å
203K89.9Confident81.3Confident122 Ų122106.5 Ų106.553%0.5353%0.527SS..Hα-helixtrans-63.4-40.4175.6-176.2-172.7169.4-162.60112.4I199 E200 L201 E206 Q207I199-K203 VanDerWaalsContact O-CB 3.26Å; I199-K203 WeakPolarHBondContact O-CB 3.45Å; I199-K203 PolarHBondContact O-N 3.19Å; E200-K203 PolarHBondContact O-N 3.04Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.32Å; K203-E206 PolarHBondContact O-N 3.1Å; K203-Q207 WeakPolarHBondContact O-CB 3.41Å; K203-Q207 PolarHBondContact O-N 3.45Å
204Q91.5Very high83.5Confident96 Ų96108.7 Ų108.745%0.44953%0.528SS..Hα-helixtrans-66.6-40175.7-75.4-175.212.900112.1E200 L201 E202 Q207 L208E200-Q204 WeakPolarHBondContact O-CG 3.39Å; E200-Q204 PolarHBondContact O-N 3.16Å; E200-Q204 PolarHBondContact OE1-NE2 3.07Å; L201-Q204 PolarHBondContact O-N 3.13Å; E202-Q204 PolarHBondContact O-N 3.13Å; Q204-Q207 PolarHBondContact O-N 2.96Å; Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.39Å; Q204-L208 PolarHBondContact O-N 2.92Å
205I86.8Confident85.5Confident81 Ų81107.3 Ų107.342%0.41553%0.525SS..Hα-helixtrans-62.7-44.6175.4-68.9167.1000110.4L201 E202 L208 K209L201-I205 HydrophobicContact CG-CD1 4.41Å; L201-I205 WeakPolarHBondContact O-CG1 3.34Å; L201-I205 PolarHBondContact O-N 3.22Å; E202-I205 PolarHBondContact O-N 2.98Å; I205-L208 PolarHBondContact O-N 2.96Å; I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.34Å; I205-K209 PolarHBondContact O-N 3.23Å
206E90.4Very high86.8Confident102 Ų102107.8 Ų107.848%0.47753%0.527SS..Hα-helixtrans-67.3-34.6176.9-73.1-56134.400112.7E202 K203 K209 R210E202-E206 WeakPolarHBondContact O-CG 3.46Å; E202-E206 PolarHBondContact O-N 3.49Å; K203-E206 PolarHBondContact O-N 3.1Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 3.27Å; E206-R210 WeakPolarHBondContact O-CB 3.44Å; E206-R210 PolarHBondContact O-N 3.39Å
207Q92.9Very high87.9Confident107 Ų107106.8 Ų106.850%0.552%0.52SS..Hα-helixtrans-64.7-45.7172.3-179.5173.5-25.600111.7K203 Q204 R210 Q211K203-Q207 WeakPolarHBondContact O-CB 3.41Å; K203-Q207 PolarHBondContact O-N 3.45Å; Q204-Q207 PolarHBondContact O-N 2.96Å; Q207-R210 PolarHBondContact O-N 3.12Å; Q207-Q211 PolarHBondContact O-N 2.89Å
208L91.5Very high88.8Confident104 Ų104105.1 Ų105.155%0.54551%0.514SS..Hα-helixtrans-63.9-42.3177-76.1170.2000111.6Q204 I205 R210 Q211 V212Q204-L208 WeakPolarHBondContact O-CB 3.49Å; Q204-L208 WeakPolarHBondContact O-CG 3.39Å; Q204-L208 PolarHBondContact O-N 2.92Å; I205-L208 PolarHBondContact O-N 2.96Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.59Å; L208-Q211 PolarHBondContact O-N 3.34Å; L208-V212 WeakPolarHBondContact O-CG2 3.2Å; L208-V212 PolarHBondContact O-N 3.08Å
209K93.2Very high90Very high111 Ų111105.9 Ų105.948%0.48351%0.514SS..Hα-helixtrans-58.4-44.6173.3-76.1177.1-174.9171.30111.6I205 E206 Q211 V212 S213I205-K209 HydrophobicContact CG2-CD 4.33Å; I205-K209 WeakPolarHBondContact O-CB 3.42Å; I205-K209 WeakPolarHBondContact O-CG 3.34Å; I205-K209 PolarHBondContact O-N 3.23Å; E206-K209 IonicContact OE1-NZ 2.71Å; E206-K209 PolarHBondContact OE1-NZ 3.27Å; K209-Q211 VanDerWaalsContact C-N 3.35Å; K209-Q211 PolarHBondContact O-N 2.94Å; K209-V212 PolarHBondContact O-N 3.24Å; K209-S213 PolarHBondContact O-N 3.45Å; K209-S213 PolarHBondContact O-OG 3.17Å
210R93.5Very high90.7Very high179 Ų179109.6 Ų109.668%0.67552%0.522SS*.Hα-helixtrans-62-41.5176.9-170.5-179.7-84.8132.5-5.3111.7E206 Q207 L208 S213 E214E206-R210 WeakPolarHBondContact O-CB 3.44Å; E206-R210 PolarHBondContact O-N 3.39Å; Q207-R210 PolarHBondContact O-N 3.12Å; L208-R210 VanDerWaalsContact C-N 3.33Å; L208-R210 PolarHBondContact O-N 2.59Å; R210-S213 PolarHBondContact O-N 2.93Å; R210-E214 PolarHBondContact O-N 3Å
211Q94.8Very high91.2Very high98 Ų98109.8 Ų109.846%0.45853%0.525SS..Hα-helixtrans-64-41.1175.3-74.8-172.5-70.900112.7Q207 L208 K209 S213 E214 L215Q207-Q211 PolarHBondContact O-N 2.89Å; L208-Q211 PolarHBondContact O-N 3.34Å; K209-Q211 VanDerWaalsContact C-N 3.35Å; K209-Q211 PolarHBondContact O-N 2.94Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; Q211-E214 PolarHBondContact O-N 3.21Å; Q211-L215 WeakPolarHBondContact O-CB 3.43Å; Q211-L215 PolarHBondContact O-N 3.06Å
212V90.2Very high91.8Very high82 Ų82111.2 Ų111.250%0.49753%0.53SS..Hα-helixtrans-64.3-40.9176.11720000110.9L208 K209 L215 Q216L208-V212 WeakPolarHBondContact O-CG2 3.2Å; L208-V212 PolarHBondContact O-N 3.08Å; K209-V212 PolarHBondContact O-N 3.24Å; V212-L215 PolarHBondContact O-N 3.02Å; V212-Q216 WeakPolarHBondContact O-CG 3.38Å; V212-Q216 PolarHBondContact O-N 3.48Å
213S92.3Very high91.9Very high69 Ų69109 Ų10948%0.48352%0.521SS..Hα-helixtrans-65.9-41.4175.7-620000113K209 R210 Q211 Q216 E217K209-S213 PolarHBondContact O-N 3.45Å; K209-S213 PolarHBondContact O-OG 3.17Å; R210-S213 PolarHBondContact O-N 2.93Å; Q211-S213 VanDerWaalsContact C-N 3.34Å; S213-Q216 PolarHBondContact O-N 3.22Å; S213-E217 PolarHBondContact O-N 3.45Å
214E94.4Very high92.1Very high127 Ų127105.5 Ų105.559%0.59351%0.514SS*.Hα-helixtrans-61.5-44.1172.9-96176.6170.200111.7R210 Q211 Q216 E217 T218R210-E214 PolarHBondContact O-N 3Å; Q211-E214 PolarHBondContact O-N 3.21Å; E214-Q216 PolarHBondContact O-N 3.26Å; E214-E217 PolarHBondContact O-N 3.3Å; E214-T218 WeakPolarHBondContact O-CG2 3.47Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 3.36Å
215L93.5Very high92.1Very high119 Ų119103.5 Ų103.562%0.62351%0.514SS*.Hα-helixtrans-61.4-43.5176-91.4160.5000112Q211 V212 E217 T218 H219Q211-L215 WeakPolarHBondContact O-CB 3.43Å; Q211-L215 PolarHBondContact O-N 3.06Å; V212-L215 PolarHBondContact O-N 3.02Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.34Å; L215-T218 WeakPolarHBondContact CA-OG1 3.45Å; L215-T218 PolarHBondContact O-N 3.46Å; L215-T218 PolarHBondContact O-OG1 3.38Å; L215-H219 WeakPolarHBondContact O-CB 3.38Å; L215-H219 PolarHBondContact O-N 3.1Å
216Q92.5Very high92.3Very high132 Ų132103.8 Ų103.862%0.61752%0.52SS*.Hα-helixtrans-61.8-39.8175.6-77.3179.9-45.900112.4V212 S213 E214 R220V212-Q216 WeakPolarHBondContact O-CG 3.38Å; V212-Q216 PolarHBondContact O-N 3.48Å; S213-Q216 PolarHBondContact O-N 3.22Å; E214-Q216 PolarHBondContact O-N 3.26Å; Q216-R220 WeakPolarHBondContact O-CB 3.19Å; Q216-R220 PolarHBondContact O-N 3.31Å
217E93.2Very high92.4Very high100 Ų100105.2 Ų105.247%0.46753%0.526SS..Hα-helixtrans-69.2-42.3177.1-17658.6-154.700112.1S213 E214 L215 R220 N221S213-E217 PolarHBondContact O-N 3.45Å; E214-E217 PolarHBondContact O-N 3.3Å; L215-E217 VanDerWaalsContact C-N 3.33Å; L215-E217 PolarHBondContact O-N 3.34Å; E217-R220 PolarHBondContact O-N 3.44Å; E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 VanDerWaalsContact O-CG 3.31Å; E217-N221 PolarHBondContact O-N 3.5Å; E217-N221 PolarHBondContact O-ND2 2.98Å; E217-N221 VanDerWaalsContact O-ND2 3.15Å; E217-N221 PolarHBondContact OE1-ND2 2.87Å; E217-N221 VanDerWaalsContact OE1-ND2 3.14Å
218T92.7Very high92.5Very high80 Ų80106.5 Ų106.549%0.49153%0.533SS..Hα-helixtrans-62.5-44.1175.456.10000112E214 L215 R220 N221 E222E214-T218 WeakPolarHBondContact O-CG2 3.47Å; E214-T218 PolarHBondContact O-N 3.03Å; E214-T218 PolarHBondContact O-OG1 3.36Å; L215-T218 WeakPolarHBondContact CA-OG1 3.45Å; L215-T218 PolarHBondContact O-N 3.46Å; L215-T218 PolarHBondContact O-OG1 3.38Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 2.97Å; T218-N221 PolarHBondContact O-N 3.36Å; T218-E222 WeakPolarHBondContact O-CB 3.33Å; T218-E222 PolarHBondContact O-N 3.49Å
219H92.6Very high92.6Very high113 Ų113105.3 Ų105.352%0.52353%0.533SS..Hα-helixtrans-65.4-37.2177.4-171.9-153.2000111.6L215 E222 I223L215-H219 WeakPolarHBondContact O-CB 3.38Å; L215-H219 PolarHBondContact O-N 3.1Å; H219-E222 PolarHBondContact O-N 3.26Å; H219-I223 VanDerWaalsContact O-CG1 3.3Å; H219-I223 WeakPolarHBondContact O-CG1 3.41Å; H219-I223 PolarHBondContact O-N 3.01Å
220R92.8Very high92.5Very high179 Ų179105.2 Ų105.268%0.67553%0.534SS*.Hα-helixtrans-62.4-43172.8-177.3179.1174.584.63.1111.9Q216 E217 T218 A224Q216-R220 WeakPolarHBondContact O-CB 3.19Å; Q216-R220 PolarHBondContact O-N 3.31Å; E217-R220 PolarHBondContact O-N 3.44Å; T218-R220 VanDerWaalsContact C-N 3.33Å; T218-R220 PolarHBondContact O-N 2.97Å; R220-A224 PolarHBondContact O-N 3.28Å
221N92Very high92.5Very high87 Ų87100.2 Ų100.247%0.46553%0.526SS..Hα-helixtrans-69-36.3178-71.4-31.8000112.4E217 T218 A224 A225E217-N221 WeakPolarHBondContact O-CB 3.33Å; E217-N221 VanDerWaalsContact O-CG 3.31Å; E217-N221 PolarHBondContact O-N 3.5Å; E217-N221 PolarHBondContact O-ND2 2.98Å; E217-N221 VanDerWaalsContact O-ND2 3.15Å; E217-N221 PolarHBondContact OE1-ND2 2.87Å; E217-N221 VanDerWaalsContact OE1-ND2 3.14Å; T218-N221 PolarHBondContact O-N 3.36Å; N221-A224 PolarHBondContact O-N 3Å; N221-A225 WeakPolarHBondContact O-CB 3.3Å; N221-A225 PolarHBondContact O-N 3.04Å
222E90.8Very high92.5Very high124 Ų124100.4 Ų100.458%0.57953%0.53SS*.Hα-helixtrans-64.1-46.7174-174.6177.2-17100111.4T218 H219 A224 A225 V226T218-E222 WeakPolarHBondContact O-CB 3.33Å; T218-E222 PolarHBondContact O-N 3.49Å; H219-E222 PolarHBondContact O-N 3.26Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 3.44Å; E222-A225 PolarHBondContact O-N 3.22Å; E222-V226 WeakPolarHBondContact O-CB 3.42Å; E222-V226 VanDerWaalsContact O-CG2 3.27Å; E222-V226 WeakPolarHBondContact O-CG2 3.41Å; E222-V226 PolarHBondContact O-N 3.29Å
223I89.2Confident92.7Very high78 Ų78102 Ų10240%0.453%0.532SS..Hα-helixtrans-59.4-41.8175.4-67.6166.4000110.7H219 V226 Q227H219-I223 VanDerWaalsContact O-CG1 3.3Å; H219-I223 WeakPolarHBondContact O-CG1 3.41Å; H219-I223 PolarHBondContact O-N 3.01Å; I223-V226 PolarHBondContact O-N 2.98Å; I223-Q227 HydrophobicContact CG2-CG 4.42Å; I223-Q227 WeakPolarHBondContact O-CB 3.45Å; I223-Q227 VanDerWaalsContact O-CG 3.24Å; I223-Q227 WeakPolarHBondContact O-CG 3.41Å; I223-Q227 PolarHBondContact O-N 2.96Å
224A92.5Very high92.7Very high47 Ų47103.1 Ų103.139%0.38853%0.532SS..Hα-helixtrans-63.6-44.6177.200000112.3R220 N221 E222 Q227 E228R220-A224 PolarHBondContact O-N 3.28Å; N221-A224 PolarHBondContact O-N 3Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 3.44Å; A224-Q227 PolarHBondContact O-N 3.15Å; A224-E228 PolarHBondContact O-N 3.11Å
225A92.8Very high92.5Very high54 Ų54100.6 Ų100.645%0.44653%0.529SS..Hα-helixtrans-65-39.4177.400000112.4N221 E222 E228 S229N221-A225 WeakPolarHBondContact O-CB 3.3Å; N221-A225 PolarHBondContact O-N 3.04Å; E222-A225 PolarHBondContact O-N 3.22Å; A225-E228 PolarHBondContact O-N 2.99Å; A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.23Å
226V89.8Confident92.4Very high88 Ų8899.1 Ų99.153%0.53352%0.522SS..Hα-helixtrans-64.9-41.2174.61720000110.7E222 I223 H230E222-V226 WeakPolarHBondContact O-CB 3.42Å; E222-V226 VanDerWaalsContact O-CG2 3.27Å; E222-V226 WeakPolarHBondContact O-CG2 3.41Å; E222-V226 PolarHBondContact O-N 3.29Å; I223-V226 PolarHBondContact O-N 2.98Å; V226-H230 WeakPolarHBondContact O-CB 3.47Å; V226-H230 PolarHBondContact O-N 2.91Å
227Q93Very high92.3Very high131 Ų13196.5 Ų96.561%0.61251%0.511SS*.Hα-helixtrans-64.8-41.7176.5-75.8175.9-20.800112.5I223 A224 H230 S231I223-Q227 HydrophobicContact CG2-CG 4.42Å; I223-Q227 WeakPolarHBondContact O-CB 3.45Å; I223-Q227 VanDerWaalsContact O-CG 3.24Å; I223-Q227 WeakPolarHBondContact O-CG 3.41Å; I223-Q227 PolarHBondContact O-N 2.96Å; A224-Q227 PolarHBondContact O-N 3.15Å; Q227-H230 PolarHBondContact O-N 2.9Å; Q227-S231 WeakPolarHBondContact O-CB 3.48Å; Q227-S231 PolarHBondContact O-N 3.42Å
228E94.8Very high92.3Very high135 Ų13595.8 Ų95.863%0.63151%0.513SS*.Hα-helixtrans-64.1-49.2175.5-173.9170.9-161.900111.2A224 A225 H230 S231 D232A224-E228 PolarHBondContact O-N 3.11Å; A225-E228 PolarHBondContact O-N 2.99Å; E228-H230 VanDerWaalsContact C-N 3.31Å; E228-H230 PolarHBondContact O-N 3.32Å; E228-S231 WeakPolarHBondContact O-CB 3.39Å; E228-S231 PolarHBondContact O-N 3.32Å; E228-S231 VanDerWaalsContact O-N 3.14Å; E228-D232 PolarHBondContact O-N 2.88Å
229S93.2Very high92.3Very high78 Ų7898.4 Ų98.455%0.54552%0.52SS..Hα-helixtrans-59.9-40.2176.5176.60000112.7A225 D232 H233A225-S229 WeakPolarHBondContact O-CB 3.42Å; A225-S229 PolarHBondContact O-N 3.23Å; S229-D232 PolarHBondContact O-N 3.48Å; S229-H233 PolarHBondContact O-N 3.38Å
230H92Very high92.3Very high110 Ų11098 Ų9851%0.50952%0.519SS..Hα-helixtrans-69.4-36.4177.5-167.6-94.8000111.9V226 Q227 E228 H233 L234V226-H230 WeakPolarHBondContact O-CB 3.47Å; V226-H230 PolarHBondContact O-N 2.91Å; Q227-H230 PolarHBondContact O-N 2.9Å; E228-H230 VanDerWaalsContact C-N 3.31Å; E228-H230 PolarHBondContact O-N 3.32Å; H230-H233 PolarHBondContact O-N 3.2Å; H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 2.93Å
231S94.2Very high92.2Very high73 Ų7394.5 Ų94.551%0.5151%0.513SS..Hα-helixtrans-62.4-44.3172.8-179.20000111.7Q227 E228 L234 S235Q227-S231 WeakPolarHBondContact O-CB 3.48Å; Q227-S231 PolarHBondContact O-N 3.42Å; E228-S231 WeakPolarHBondContact O-CB 3.39Å; E228-S231 PolarHBondContact O-N 3.32Å; E228-S231 VanDerWaalsContact O-N 3.14Å; S231-L234 PolarHBondContact O-N 3.18Å; S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.17Å
232D94.6Very high92.3Very high102 Ų10297.3 Ų97.355%0.54552%0.521SS..Hα-helixtrans-63.9-41.4176.8-73.5-14.8000111.9E228 S229 S235 N236E228-D232 PolarHBondContact O-N 2.88Å; S229-D232 PolarHBondContact O-N 3.48Å; D232-S235 WeakPolarHBondContact O-CB 3.42Å; D232-S235 PolarHBondContact O-N 3.05Å; D232-N236 PolarHBondContact O-N 3.37Å
233H93.3Very high92.4Very high116 Ų11697.3 Ų97.354%0.53752%0.521SS..Hα-helixtrans-62.5-45.3176.6-174.459.7000111.9S229 H230 S235 N236 L237S229-H233 PolarHBondContact O-N 3.38Å; H230-H233 PolarHBondContact O-N 3.2Å; H233-S235 VanDerWaalsContact C-N 3.31Å; H233-S235 PolarHBondContact O-N 3.29Å; H233-N236 PolarHBondContact O-N 3.38Å; H233-L237 WeakPolarHBondContact O-CB 3.25Å; H233-L237 PolarHBondContact O-N 3.49Å
234L92Very high92.1Very high92 Ų9296.9 Ų96.948%0.48252%0.522SS..Hα-helixtrans-61.6-39.9174.6-73171.4000111.8H230 S231 L237 V238H230-L234 WeakPolarHBondContact O-CG 3.47Å; H230-L234 PolarHBondContact O-N 2.93Å; S231-L234 PolarHBondContact O-N 3.18Å; L234-L237 PolarHBondContact O-N 2.84Å; L234-V238 VanDerWaalsContact O-CG2 3.26Å; L234-V238 WeakPolarHBondContact O-CG2 3.37Å; L234-V238 PolarHBondContact O-N 2.76Å
235S91.9Very high92.1Very high75 Ų75100.4 Ų100.452%0.52453%0.53SS..Hα-helixtrans-62-45.3177-162.70000112S231 D232 H233 L237 V238 E239S231-S235 WeakPolarHBondContact O-CB 3.48Å; S231-S235 PolarHBondContact O-N 3.17Å; D232-S235 WeakPolarHBondContact O-CB 3.42Å; D232-S235 PolarHBondContact O-N 3.05Å; H233-S235 VanDerWaalsContact C-N 3.31Å; H233-S235 PolarHBondContact O-N 3.29Å; S235-L237 PolarHBondContact O-N 3.24Å; S235-V238 PolarHBondContact O-N 3.19Å; S235-E239 PolarHBondContact O-N 3.42Å
236N91.2Very high92Very high88 Ų88101 Ų10147%0.47153%0.531SS..Hα-helixtrans-63.6-41.3178.4-153.1-53.4000111.7D232 H233 V238 E239 Q240D232-N236 PolarHBondContact O-N 3.37Å; H233-N236 PolarHBondContact O-N 3.38Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.91Å; N236-E239 PolarHBondContact O-N 2.97Å; N236-Q240 WeakPolarHBondContact O-CG 3.42Å; N236-Q240 PolarHBondContact O-N 2.9Å; N236-Q240 PolarHBondContact OD1-NE2 3.29Å
237L89.5Confident92.1Very high77 Ų77102.1 Ų102.140%0.40353%0.531SS..Hα-helixtrans-65.9-36.5177.5-144.1153.4000111.5H233 L234 S235 L241H233-L237 WeakPolarHBondContact O-CB 3.25Å; H233-L237 PolarHBondContact O-N 3.49Å; L234-L237 PolarHBondContact O-N 2.84Å; S235-L237 PolarHBondContact O-N 3.24Å; L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 HydrophobicContact CD2-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 2.89Å
238V93Very high91.8Very high84 Ų84100.3 Ų100.351%0.50953%0.528SS..Hα-helixtrans-67.2-37.8173169.80000111.9L234 S235 N236 L241 K242L234-V238 VanDerWaalsContact O-CG2 3.26Å; L234-V238 WeakPolarHBondContact O-CG2 3.37Å; L234-V238 PolarHBondContact O-N 2.76Å; S235-V238 PolarHBondContact O-N 3.19Å; N236-V238 VanDerWaalsContact C-N 3.33Å; N236-V238 PolarHBondContact O-N 2.91Å; V238-L241 PolarHBondContact O-N 3.12Å; V238-K242 PolarHBondContact O-N 3.25Å
239E93.5Very high91.5Very high135 Ų13598.3 Ų98.363%0.63152%0.521SS*.Hα-helixtrans-66.1-43.3176-169.5167.1-161.900111.6S235 N236 L241 K242 E243S235-E239 PolarHBondContact O-N 3.42Å; N236-E239 PolarHBondContact O-N 2.97Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.44Å; E239-K242 WeakPolarHBondContact O-CB 3.42Å; E239-K242 PolarHBondContact O-N 3.36Å; E239-K242 VanDerWaalsContact O-N 3.17Å; E239-E243 PolarHBondContact O-N 3.22Å
240Q93.4Very high91.3Very high106 Ų106101.6 Ų101.650%0.49553%0.526SS..Hα-helixtrans-62.1-38.6173.5-69.8177.811.800112.5N236 E243 T244N236-Q240 WeakPolarHBondContact O-CG 3.42Å; N236-Q240 PolarHBondContact O-N 2.9Å; N236-Q240 PolarHBondContact OD1-NE2 3.29Å; Q240-E243 PolarHBondContact O-N 3.13Å; Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.89Å; Q240-T244 PolarHBondContact O-OG1 3.42Å
241L89.8Confident90.9Very high105 Ų105101.1 Ų101.155%0.5553%0.526SS..Hα-helixtrans-64.1-39.4174-78.8173.5000112.1L237 V238 E239 T244 E245L237-L241 HydrophobicContact CD2-CD1 4.19Å; L237-L241 HydrophobicContact CD2-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CG 3.32Å; L237-L241 PolarHBondContact O-N 2.89Å; V238-L241 PolarHBondContact O-N 3.12Å; E239-L241 VanDerWaalsContact C-N 3.33Å; E239-L241 PolarHBondContact O-N 3.44Å; L241-T244 WeakPolarHBondContact CA-OG1 3.41Å; L241-T244 PolarHBondContact O-OG1 3.05Å; L241-E245 VanDerWaalsContact O-CB 3.24Å; L241-E245 WeakPolarHBondContact O-CB 3.48Å; L241-E245 PolarHBondContact O-N 3.22Å
242K93.5Very high90.4Very high145 Ų145102.5 Ų102.563%0.6352%0.524SS*.Hα-helixtrans-66.2-39.4174.3-84.8-168.4173.7-176.80112.9V238 E239 S246V238-K242 PolarHBondContact O-N 3.25Å; E239-K242 WeakPolarHBondContact O-CB 3.42Å; E239-K242 PolarHBondContact O-N 3.36Å; E239-K242 VanDerWaalsContact O-N 3.17Å; K242-S246 WeakPolarHBondContact O-CB 3.26Å; K242-S246 PolarHBondContact O-N 2.97Å
243E94.1Very high89.9Confident124 Ų124105 Ų10558%0.57953%0.531SS*.Hα-helixtrans-64-49.9177.2-176.2167.4-156.700110.7E239 Q240 E245 S246 E247E239-E243 PolarHBondContact O-N 3.22Å; Q240-E243 PolarHBondContact O-N 3.13Å; E243-E245 VanDerWaalsContact C-N 3.35Å; E243-E245 PolarHBondContact O-N 3.28Å; E243-S246 WeakPolarHBondContact O-CB 3.36Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 VanDerWaalsContact O-N 3.09Å; E243-S246 PolarHBondContact O-OG 3.49Å; E243-E247 PolarHBondContact O-N 2.92Å
244T83.2Confident89.5Confident69 Ų69104.6 Ų104.642%0.42353%0.529SS..Hα-helixtrans-62.7-38.7177.253.70000112.4Q240 L241 S246 E247 V248Q240-T244 WeakPolarHBondContact O-CG2 3.47Å; Q240-T244 PolarHBondContact O-N 2.89Å; Q240-T244 PolarHBondContact O-OG1 3.42Å; L241-T244 WeakPolarHBondContact CA-OG1 3.41Å; L241-T244 PolarHBondContact O-OG1 3.05Å; T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.73Å; T244-E247 PolarHBondContact O-N 3.47Å; T244-V248 VanDerWaalsContact O-CG2 3.31Å; T244-V248 WeakPolarHBondContact O-CG2 3.29Å; T244-V248 PolarHBondContact O-N 2.75Å
245E91.9Very high88.7Confident122 Ų122104 Ų10457%0.5753%0.529SS*.Hα-helixtrans-60.6-42.5172.3-175.3179.7-16500111.6L241 E243 E247 V248 I249L241-E245 VanDerWaalsContact O-CB 3.24Å; L241-E245 WeakPolarHBondContact O-CB 3.48Å; L241-E245 PolarHBondContact O-N 3.22Å; E243-E245 VanDerWaalsContact C-N 3.35Å; E243-E245 PolarHBondContact O-N 3.28Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.16Å; E245-V248 PolarHBondContact O-N 3.45Å; E245-I249 HydrophobicContact CG-CD1 4.2Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 3.28Å
246S89.7Confident87.9Confident67 Ų67104 Ų10447%0.46952%0.523SS..Hα-helixtrans-65.4-35.9177.481.50000112.8K242 E243 T244 K250K242-S246 WeakPolarHBondContact O-CB 3.26Å; K242-S246 PolarHBondContact O-N 2.97Å; E243-S246 WeakPolarHBondContact O-CB 3.36Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 VanDerWaalsContact O-N 3.09Å; E243-S246 PolarHBondContact O-OG 3.49Å; T244-S246 VanDerWaalsContact C-N 3.34Å; T244-S246 PolarHBondContact O-N 2.73Å; S246-K250 WeakPolarHBondContact O-CB 3.36Å; S246-K250 PolarHBondContact O-N 3.05Å
247E92.5Very high87Confident111 Ų111101.9 Ų101.952%0.51952%0.522SS..Hα-helixtrans-68.4-41.8173.4-72.2-161.5141.400112E243 T244 E245 I249 K250 L251E243-E247 PolarHBondContact O-N 2.92Å; T244-E247 PolarHBondContact O-N 3.47Å; E245-E247 VanDerWaalsContact C-N 3.34Å; E245-E247 PolarHBondContact O-N 3.16Å; E247-I249 VanDerWaalsContact C-N 3.35Å; E247-I249 PolarHBondContact O-N 2.98Å; E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 3.34Å; E247-L251 WeakPolarHBondContact O-CG 3.45Å; E247-L251 PolarHBondContact O-N 2.84Å
248V85.8Confident85.8Confident93 Ų93104.8 Ų104.856%0.56453%0.531SS*.Hα-helixtrans-61.1-43.6175.5170.40000110.7T244 E245 K250 L251 Q252T244-V248 VanDerWaalsContact O-CG2 3.31Å; T244-V248 WeakPolarHBondContact O-CG2 3.29Å; T244-V248 PolarHBondContact O-N 2.75Å; E245-V248 PolarHBondContact O-N 3.45Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.86Å; V248-L251 PolarHBondContact O-N 3.12Å; V248-Q252 WeakPolarHBondContact O-CB 3.36Å; V248-Q252 PolarHBondContact O-N 3.01Å
249I89.2Confident84Confident92 Ų92106.6 Ų106.647%0.47253%0.534SS..Hα-helixtrans-63-38.4175.9-67.7166.4000111.4E245 E247 Q252 K253E245-I249 HydrophobicContact CG-CD1 4.2Å; E245-I249 WeakPolarHBondContact O-CG1 3.38Å; E245-I249 PolarHBondContact O-N 3.28Å; E247-I249 VanDerWaalsContact C-N 3.35Å; E247-I249 PolarHBondContact O-N 2.98Å; I249-Q252 PolarHBondContact O-N 3.34Å; I249-K253 PolarHBondContact O-N 2.8Å
250K90.1Very high82.2Confident148 Ų148106.1 Ų106.164%0.64354%0.536SS*.Hα-helixtrans-65.8-44.7176.8-178-176.4175.2-172.20111.5S246 E247 V248 K253 Q254S246-K250 WeakPolarHBondContact O-CB 3.36Å; S246-K250 PolarHBondContact O-N 3.05Å; E247-K250 WeakPolarHBondContact O-CB 3.46Å; E247-K250 PolarHBondContact O-N 3.34Å; V248-K250 VanDerWaalsContact C-N 3.31Å; V248-K250 PolarHBondContact O-N 2.86Å; K250-K253 PolarHBondContact O-N 2.87Å; K250-Q254 PolarHBondContact O-N 3.35Å; K250-Q254 VanDerWaalsContact O-N 3.12Å
251L82.4Confident80.2Confident100 Ų100111.3 Ų111.352%0.52455%0.551SS.*Hα-helixtrans-64.6-41.5175.6-70.5174.4000111.2E247 V248 K253 Q254 V255E247-L251 WeakPolarHBondContact O-CG 3.45Å; E247-L251 PolarHBondContact O-N 2.84Å; V248-L251 PolarHBondContact O-N 3.12Å; L251-K253 PolarHBondContact O-N 3.16Å; L251-Q254 WeakPolarHBondContact O-CA 3.42Å; L251-Q254 WeakPolarHBondContact O-CB 3.39Å; L251-Q254 PolarHBondContact O-N 2.89Å; L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.91Å
252Q83.8Confident78.1Confident101 Ų101110.5 Ų110.547%0.47255%0.554SS.*Hα-helixtrans-58.5-46.4175-174.463.149.600111.6V248 I249 Q254 V255 D256V248-Q252 WeakPolarHBondContact O-CB 3.36Å; V248-Q252 PolarHBondContact O-N 3.01Å; I249-Q252 PolarHBondContact O-N 3.34Å; Q252-Q254 VanDerWaalsContact C-N 3.25Å; Q252-Q254 PolarHBondContact O-N 2.88Å; Q252-V255 PolarHBondContact O-N 3.47Å; Q252-D256 PolarHBondContact NE2-OD1 3.23Å; Q252-D256 VanDerWaalsContact O-CG 3.25Å; Q252-D256 PolarHBondContact O-N 3.43Å
253K85.2Confident75.6Confident155 Ų155108.9 Ų108.967%0.67456%0.557SS**Hα-helixtrans-60.4-34.8174.3-87.2-176.7176.2175.90113.1I249 K250 L251 G257I249-K253 PolarHBondContact O-N 2.8Å; K250-K253 PolarHBondContact O-N 2.87Å; L251-K253 PolarHBondContact O-N 3.16Å; K253-G257 PolarHBondContact O-N 2.92Å
254Q84.4Confident72.9Confident108 Ų108108.6 Ų108.651%0.50557%0.567SS.*Hα-helixtrans-67.5-45.1177-131175.4-4.200110.4K250 L251 Q252 G257 F258K250-Q254 PolarHBondContact O-N 3.35Å; K250-Q254 VanDerWaalsContact O-N 3.12Å; L251-Q254 WeakPolarHBondContact O-CA 3.42Å; L251-Q254 WeakPolarHBondContact O-CB 3.39Å; L251-Q254 PolarHBondContact O-N 2.89Å; Q252-Q254 VanDerWaalsContact C-N 3.25Å; Q252-Q254 PolarHBondContact O-N 2.88Å; Q254-G257 PolarHBondContact O-N 3.48Å; Q254-F258 HydrophobicContact CG-CE2 4.11Å; Q254-F258 WeakPolarHBondContact O-CD2 3.36Å; Q254-F258 PolarHBondContact O-N 3.02Å
255V75.5Confident70.5Confident80 Ų80108.9 Ų108.949%0.48558%0.576SS.*Hα-helixtrans-61.3-45.3175.3174.30000111.3L251 Q252 G257 F258 Q259L251-V255 WeakPolarHBondContact O-CG2 3.31Å; L251-V255 PolarHBondContact O-N 2.91Å; Q252-V255 PolarHBondContact O-N 3.47Å; V255-G257 PolarHBondContact O-N 2.94Å; V255-F258 PolarHBondContact O-N 2.91Å; V255-Q259 PolarHBondContact O-N 3.27Å
256D75.2Confident67.8Low74 Ų74109.7 Ų109.740%0.39659%0.589SS.*Hα-helixtrans-62.6-33.4176.9-63.9-21.2000111.9Q252 N260Q252-D256 PolarHBondContact NE2-OD1 3.23Å; Q252-D256 VanDerWaalsContact O-CG 3.25Å; Q252-D256 PolarHBondContact O-N 3.43Å; D256-N260 WeakPolarHBondContact O-CB 3.47Å; D256-N260 PolarHBondContact O-N 3.36Å; D256-N260 PolarHBondContact O-ND2 3.3Å; D256-N260 VanDerWaalsContact O-ND2 3.11Å
257G70.5Confident65.1Low43 Ų43114.2 Ų114.244%0.44361%0.608SS.*Hα-helixtrans-65.5-39172.200000113.2K253 Q254 V255 R261K253-G257 PolarHBondContact O-N 2.92Å; Q254-G257 PolarHBondContact O-N 3.48Å; V255-G257 PolarHBondContact O-N 2.94Å; G257-R261 PolarHBondContact O-N 2.88Å
258F64.1Low62.2Low138 Ų138115.9 Ų115.961%0.60562%0.62SS**Hα-helixtrans-71.6-39.8174.4-70.6-66.7000112Q254 V255 N260 R261 S262Q254-F258 HydrophobicContact CG-CE2 4.11Å; Q254-F258 WeakPolarHBondContact O-CD2 3.36Å; Q254-F258 PolarHBondContact O-N 3.02Å; V255-F258 PolarHBondContact O-N 2.91Å; F258-N260 PolarHBondContact O-N 2.87Å; F258-R261 WeakPolarHBondContact O-CB 3.48Å; F258-R261 PolarHBondContact O-N 3.19Å; F258-R261 VanDerWaalsContact O-N 3.07Å; F258-S262 PolarHBondContact O-N 2.85Å
259Q56.7Low59.7Low122 Ų122119.1 Ų119.157%0.5763%0.634SS**Hα-helixtrans-62.3-44177.9-160.572.40.100111.1V255 R261 S262 T263V255-Q259 PolarHBondContact O-N 3.27Å; Q259-R261 PolarHBondContact O-N 3.46Å; Q259-S262 PolarHBondContact O-N 3.36Å; Q259-S262 VanDerWaalsContact O-N 3.08Å; Q259-T263 PolarHBondContact O-N 3.12Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.08Å
260N54.7Low56.8Low126 Ų126124.1 Ų124.167%0.67466%0.655SS**Hα-helixtrans-66.4-24.1175.3-74.5-36.2000113.2D256 F258D256-N260 WeakPolarHBondContact O-CB 3.47Å; D256-N260 PolarHBondContact O-N 3.36Å; D256-N260 PolarHBondContact O-ND2 3.3Å; D256-N260 VanDerWaalsContact O-ND2 3.11Å; F258-N260 PolarHBondContact O-N 2.87Å
261R52.1Low54Low215 Ų215122.8 Ų122.881%0.81166%0.66SS**Hα-helixtrans-79.2-28.5172.2-157.8174.8-154.8-145.93.1112.4G257 F258 Q259G257-R261 PolarHBondContact O-N 2.88Å; F258-R261 WeakPolarHBondContact O-CB 3.48Å; F258-R261 PolarHBondContact O-N 3.19Å; F258-R261 VanDerWaalsContact O-N 3.07Å; Q259-R261 PolarHBondContact O-N 3.46Å
262S46.5Very low51.5Low88 Ų88125 Ų12562%0.61567%0.672SS**Hα-helixtrans-79.1-20.5-179.1-163.70000113.8F258 Q259 C264F258-S262 PolarHBondContact O-N 2.85Å; Q259-S262 PolarHBondContact O-N 3.36Å; Q259-S262 VanDerWaalsContact O-N 3.08Å; S262-C264 VanDerWaalsContact C-N 3.34Å; S262-C264 PolarHBondContact O-N 2.9Å
263T40.5Very low49Very low110 Ų110127.8 Ų127.868%0.67569%0.69SS**THydrogen-bonded Turntrans-82.5-6.3-178.4-41.90000114.1Q259Q259-T263 PolarHBondContact O-N 3.12Å; Q259-T263 PolarHBondContact O-OG1 3.21Å; Q259-T263 VanDerWaalsContact O-OG1 3.08Å
264C36.9Very low46.2Very low118 Ų118128.5 Ų128.580%0.79770%0.695SS**SBendtrans-105.452.9176.2-74.70000112.4S262S262-C264 VanDerWaalsContact C-N 3.34Å; S262-C264 PolarHBondContact O-N 2.9Å
265A32.4Very low43.7Very low75 Ų75131.1 Ų131.162%0.6271%0.713SS**SBendtrans-151.3135163.500000108.7
266V36.5Very low41.4Very low139 Ų139134.3 Ų134.384%0.84273%0.726SS**  trans84.564.7177.9-156.50000115.3
267N33.1Very low39.1Very low162 Ų162136 Ų13687%0.86674%0.739SS**  trans-132.885.7138.4-157.6-11.8000108
268L31.8Very low37.3Very low146 Ų146139.5 Ų139.576%0.76476%0.757SS**  trans-119104.7177.6-74.6162.9000105.3
269N32.7Very low35.5Very low162 Ų162139.6 Ų139.687%0.86676%0.762SS**  trans173.880.9155.6-84.2-22.7000109.9
270Q27.8Very low33.9Very low196 Ų196138.9 Ų138.992%0.91677%0.77SS**  trans-161.6100.5141.6-161.7149.811.100109.3
271T31.5Very low32.7Very low121 Ų121138.4 Ų138.474%0.74277%0.772SS**  trans-67.9141.1167.937.50000110.7
272D30.2Very low31.6Very low145 Ų145136.8 Ų136.878%0.77577%0.771SS**  trans70.390.7159.3-53.3-30000118.5
273L30.2Very low30.7Very low161 Ų161142.5 Ų142.584%0.84379%0.785SS**  trans-146.190.3132.8-149.170.5000110.6N275L273-N275 PolarHBondContact O-N 3.48Å
274E28.1Very low30.3Very low169 Ų169143.6 Ų143.679%0.7979%0.792SS**  trans20.889.8130.8-63.3-179.7152.800116
275N31.8Very low29.9Very low164 Ų164145.4 Ų145.488%0.87779%0.794SS**  trans-138.279.2143.5-113.1-14.4000109.2L273L273-N275 PolarHBondContact O-N 3.48Å
276I25.3Very low29.6Very low146 Ų146151.5 Ų151.575%0.74981%0.806SS**  trans-57.9145.3148.2-58.2172.7000107
277T27.7Very low29.4Very low111 Ų111150.8 Ų150.868%0.68181%0.807SS**  trans106.271.3158.7-340000116.6
278S32.4Very low29Very low116 Ų116149.7 Ų149.781%0.81181%0.806SS**  trans-150.682.2136.7-77.30000107.1
279I26.4Very low28.8Very low140 Ų140147.7 Ų147.772%0.71880%0.804SS**  68.7100.8105.7-64.6167.8000111.6
280S24.2Very low28.8Very low106 Ų106146.7 Ų146.774%0.74180%0.804SS**  trans-45.9141.7153.257.20000112.7
281T29.3Very low28.8Very low116 Ų116143.9 Ų143.971%0.71280%0.795SS**  trans-163.6139.8131.437.20000111
282F28.6Very low28.8Very low181 Ų181144.7 Ų144.779%0.79480%0.8SS**  trans77.883166.7-60.7-70.8000120.4
283K27.6Very low28.7Very low209 Ų209142.4 Ų142.491%0.90980%0.795SS**  trans-68.3136.8131.5-81.1175.5171.3175.40109.4
284T30.9Very low29Very low132 Ų132142.1 Ų142.181%0.8180%0.795SS**  trans-140.9149.4153.127.90000109.7
285D28.6Very low28.9Very low157 Ų157140.9 Ų140.984%0.8479%0.793SS**  trans-77.6160.9-149.6-83.3-55.7000117.8
286K27.4Very low28.7Very low203 Ų203139.4 Ų139.488%0.88378%0.784SS**  trans-50.2132.5158.1-68.7166.5170.4177.50111.9
287S30.9Very low29Very low123 Ų123139.5 Ų139.586%0.8678%0.782SS**  trans-149.5149142.869.60000110.4
288V26.4Very low29.1Very low139 Ų139142.9 Ų142.984%0.84279%0.788SS**  trans-104.5151.8-160157.40000109.9
289S26.7Very low28.8Very low104 Ų104141.5 Ų141.573%0.72778%0.784SS**  trans80.2107.1158.4-1700000117.9
290T32.3Very low29.1Very low142 Ų142143.8 Ų143.887%0.87179%0.791SS**  trans-148125.5133-57.80000108.6
291D29.2Very low29.3Very low136 Ų136144.1 Ų144.173%0.72779%0.794SS**  trans-65143.2-174.9-156.3-3.4000112S293D291-S293 PolarHBondContact O-N 3.13Å
292V30.2Very low29.5Very low138 Ų138147.3 Ų147.384%0.83680%0.801SS**  trans-86.695.9176.6-177.10000107.1
293S29.1Very low29.5Very low97 Ų97146.2 Ų146.268%0.67880%0.798SS**  trans-13482.6171.2-77.90000109.9D291D291-S293 PolarHBondContact O-N 3.13Å
294D35.1Very low29.5Very low156 Ų156142.2 Ų142.283%0.83479%0.787SS**  trans-13496.3152.8-83-33.8000104.7
295L27.6Very low29.6Very low142 Ų142141.3 Ų141.374%0.74379%0.786SS**  64.891.575.5-156.379.4000113.1
296I26.2Very low29.5Very low134 Ų134143.4 Ų143.469%0.68779%0.787SS**  47.7127.7128.5-47174000117.9
297M32.2Very low29.7Very low147 Ų147143.5 Ų143.572%0.72479%0.788SS**  145.698127.5-77.6-64-64.300110.2
298F30.8Very low29.4Very low182 Ų182143.2 Ų143.280%0.79879%0.786SS**  -171118.3114-112-83000109.1
299A25.8Very low29.4Very low88 Ų88147.8 Ų147.873%0.72779%0.788SS**  trans-97.6137.5164.500000106.8
300E32.7Very low29.5Very low187 Ų187148.6 Ų148.687%0.87479%0.791SS**  trans-146134.7153.4-116172-159.900110.3
301S28.1Very low29.1Very low114 Ų114147 Ų14780%0.79779%0.785SS**  trans-81.6149.4-166-49.90000113.4
302Q33.8Very low29.2Very low183 Ų183149.2 Ų149.286%0.85579%0.788SS**  trans-180100.9132.1-98.2-164.844.800107.7
303E27.3Very low29.1Very low158 Ų158151.2 Ų151.274%0.73879%0.786SS**  73.5111.993-85.4-152.8133.600116.9
304N27.7Very low29Very low125 Ų125156.9 Ų156.967%0.66880%0.798SS**  78101.2129.4-58.8-19.1000121.5
305S32.8Very low28.8Very low113 Ų113158.4 Ų158.479%0.7980%0.797SS**  155.7107.7113.555.70000110.9
306K28.3Very low28.7Very low201 Ų201161.7 Ų161.787%0.87481%0.806SS**  63.8101.291.8-73.4-179.3-180170.30116.1
307K30.2Very low29Very low205 Ų205164.2 Ų164.289%0.89181%0.812SS**  164.299.1120.9-91.3169.7179.6175.40108.9
308S25.6Very low28.9Very low116 Ų116162 Ų16281%0.81181%0.81SS**  70.391.388.2170.50000114.1
309R26.3Very low28.8Very low236 Ų236159.9 Ų159.989%0.89181%0.813SS**  trans-124.6131.4149.1-155.1171.6-172.3-178.22.7108
310P28.8Very low29.1Very low121 Ų121162 Ų16279%0.78682%0.816SS**  trans-85.6131.2-162.532.4-33.1000112.3
311S24.4Very low28.8Very low108 Ų108160.9 Ų160.976%0.75581%0.811SS**  trans-72140.1160-39.30000109.9
312K29.6Very low28.7Very low183 Ų183166.2 Ų166.280%0.79681%0.814SS**  trans-171.4118.6144.5-102.3154.6-170.7178.60114.3
313K29.6Very low28.4Very low179 Ų179165.1 Ų165.178%0.77881%0.814SS**  trans85.186.6131.9-68.5174.8177.7-177.80120
314K25.4Very low28.3Very low216 Ų216164.6 Ų164.694%0.93982%0.815SS**  trans-48.3126133-95.1172.3171.3165.70110.1
315K30.9Very low28.5Very low188 Ų188164.2 Ų164.282%0.81782%0.817SS**  trans-125.391.7167.4-153.2177.2-172.9179.40108.4
316K27.1Very low28.3Very low211 Ų211165.3 Ų165.392%0.91781%0.814SS**  trans-79.9120.7168.5-161.6174.8-174.9178.60106.3
317K31.3Very low28.2Very low188 Ų188163.3 Ų163.382%0.81781%0.811SS**  trans-130.8142.4168.9-117-173.5179.2-169.30109.6
318S31.5Very low28.2Very low99 Ų99158.4 Ų158.469%0.69281%0.809SS**  trans-72.2141.8-162.244.80000116.4
319T27.6Very low28.2Very low139 Ų139162 Ų16285%0.85381%0.81SS**  trans-1.9123.9134.2-48.80000117.2
320T33Very low28.5Very low131 Ų131156.7 Ų156.780%0.80481%0.806SS**  trans-148.799.4155.9-560000109.6
321Q24.6Very low28.3Very low164 Ų164156 Ų15677%0.76680%0.804SS**  trans20.3109.5135.2-165.4170.3-9.300120.5
322W26.8Very low28.6Very low227 Ų227160.9 Ų160.986%0.8681%0.812SS**  21.5112.1123.8-62.550.4000117.9
323D28.6Very low28.4Very low160 Ų160157.6 Ų157.686%0.85681%0.812SS**  trans-121.4131.5153.6-100.6-32.1000109.3
324I24.8Very low28.3Very low147 Ų147155.9 Ų155.975%0.75482%0.816SS**  trans-103.8127.4175.6-69.5168.9000106.2
325T31.6Very low28.3Very low117 Ų117151.1 Ų151.172%0.71881%0.81SS**  trans-151.9116.1164-32.60000111.6
326D28.8Very low28.1Very low136 Ų136148.7 Ų148.773%0.72782%0.815SS**  trans54.9101.7143.9-61.8-27.8000123.5
327I26.1Very low28Very low158 Ų158147.5 Ų147.581%0.8181%0.813SS**  8.6114.7116.2-55.8169.9000116.4
328A30Very low27.8Very low102 Ų102147.3 Ų147.384%0.84382%0.817SS**  trans-134.1109.9152.200000110.2
329K26.2Very low27.6Very low191 Ų191147.7 Ų147.783%0.8382%0.82SS**  trans-93.2139.8172.1-128.6175.5-174.6175.70108.2
330P31.7Very low27.6Very low125 Ų125145.8 Ų145.881%0.81281%0.812SS**  trans-134.3123.914131.1-15.6000112
331S25.7Very low27.2Very low107 Ų107147.9 Ų147.975%0.74881%0.813SS**  trans-68.7139.4171.2-49.60000111.7
332K29.4Very low27.4Very low211 Ų211146 Ų14692%0.91781%0.813SS**  trans-140.8111.5154.9-98.8-179.6179.3176.50109.3
333S25.6Very low27.3Very low113 Ų113141 Ų14179%0.7981%0.807SS**  trans-94.7136.1168.951.40000109.5
334V27.7Very low27.1Very low144 Ų144144.1 Ų144.187%0.87381%0.808SS**  trans-147.6117.5155.2178.60000107.5
335S24.8Very low27.5Very low116 Ų116140.5 Ų140.581%0.81181%0.807SS**  trans-88.6149.5167.6-620000110.2
336C26.4Very low27.2Very low136 Ų136143.1 Ų143.192%0.91981%0.811SS**  trans-142.7116.4159.2-120.40000109.1
337E25.1Very low27.4Very low187 Ų187144.1 Ų144.187%0.87481%0.814SS**  trans-85.3149.5167.8-91.2170.313600110.4
338M29Very low27.6Very low183 Ų183145.7 Ų145.790%0.90182%0.815SS**  trans-159.1109.5153.8-141.778.2152.900110.7
339S27.3Very low27.4Very low107 Ų107148.6 Ų148.675%0.74882%0.816SS**  trans26.8153.2132-66.50000121.4
340S26.1Very low27.6Very low100 Ų100145 Ų14570%0.69982%0.815SS**  cis173.5139.4-8-89.30000108.1
341Q24.5Very low27.3Very low175 Ų175144.4 Ų144.482%0.81881%0.814SS**  trans83.2142.7134.5-138.2172.711.300124.7
342T29.2Very low27.3Very low124 Ų124145.2 Ų145.276%0.76181%0.814SS**  trans93.4139.5153.762.10000120.4
343V25.1Very low27.1Very low121 Ų121144 Ų14473%0.73381%0.811SS**  cis-179.7135.1-22.7136.60000108.1
344Y25Very low27.2Very low226 Ų226143.9 Ų143.989%0.88681%0.811SS**  trans42.4138.3150.7-81.8-95.5000127.3
345G31.5Very low27Very low71 Ų71141.6 Ų141.673%0.73281%0.807SS**  trans165.588.714700000113.8
346Q27.1Very low27.2Very low172 Ų172144 Ų14480%0.80481%0.811SS**  57.6113.2101.5-90.8-168-5.300119.1
347M31Very low27.1Very low158 Ų158145.8 Ų145.878%0.77881%0.806SS**  157.6128.3114.8-91.2-169.3-162.500116.7
348K30.7Very low27.2Very low190 Ų190142.8 Ų142.883%0.82680%0.8SS**  trans93.9123135.9-74.6-167.1178.3-169.20123.9
349D27.1Very low26.9Very low164 Ų164141.4 Ų141.488%0.87779%0.791SS**  trans-86.2152.4172.1-54.1-67.4000115.5
350S30.6Very low26.9Very low115 Ų115141.6 Ų141.680%0.80479%0.788SS**  trans-179.1114.5142.760.50000107.4
351S23.5Very low27.2Very low113 Ų113146.6 Ų146.679%0.7980%0.797SS**  86131.350.5-158.50000115.8
352V27.2Very low27.2Very low123 Ų123145.9 Ų145.975%0.74580%0.799SS**  trans84.1110.7163-163.70000116.7
353Q24.5Very low27.1Very low185 Ų185144 Ų14486%0.86480%0.796SS**  80.4142.156-84.7-167-11.100117.7
354S29Very low27.1Very low111 Ų111147.9 Ų147.978%0.77680%0.803SS**  trans75.1115.7168.655.80000117.7
355A22.9Very low27.3Very low96 Ų96143 Ų14379%0.79380%0.797SS**  74106.159.400000113.3
356D29.1Very low27.1Very low167 Ų167148.6 Ų148.689%0.89380%0.804SS**  trans-166.2155.4131-128.3-22.3000113.6
357Q23.7Very low27.2Very low174 Ų174146.5 Ų146.581%0.81380%0.799SS**  trans-95.8-173.9-167.3-154.3171.742.900111.3
358V27Very low27.1Very low124 Ų124145.3 Ų145.375%0.75280%0.795SS**  trans97.9137.4162.9-1740000115.5
359E24Very low27.1Very low154 Ų154144.6 Ų144.672%0.7280%0.799SS**  cis176136-20.4-170.6173-16700105.3
360T27.1Very low27.1Very low110 Ų110145.9 Ų145.968%0.67579%0.793SS**  trans46.5130.9154630000122.3
361K30.6Very low26.8Very low206 Ų206148 Ų14890%0.89679%0.79SS**  -171.7132.4120.2-102.7171.8-172.9-177.30112.9
362D25.1Very low26.9Very low159 Ų159146.6 Ų146.685%0.8578%0.781SS**  trans-74.7171.3-177.6-64.6-61.4000115.7
363A27.4Very low26.8Very low85 Ų85148.3 Ų148.370%0.70279%0.786SS**  trans95.2110.6146.900000118.3
364F25.9Very low26.7Very low202 Ų202144.7 Ų144.789%0.88678%0.781SS**  -162.7118.8116.9-108.8-81.1000109
365T27.8Very low26.5Very low124 Ų124144.5 Ų144.576%0.76178%0.78SS**  trans-121.3127.8171.3-50.60000105.8
366E28.9Very low26.6Very low189 Ų189145.8 Ų145.888%0.88378%0.778SS**  trans-143.4121.3162.6-161164.5-165.600108.5
367D28Very low26.2Very low128 Ų128146.2 Ų146.268%0.68477%0.772SS**  trans-100165.8-170.9-102.8-33.8000111.1
368D29.4Very low26.2Very low132 Ų132143.4 Ų143.471%0.70677%0.766SS**  trans75.1116.5153.1-64.3-30.3000120.9
369L31.5Very low26.1Very low175 Ų175144.3 Ų144.392%0.91676%0.762SS**  -160.2110.8107.9-156.862000112.1
370Y26.7Very low26.1Very low191 Ų191142.2 Ų142.275%0.74976%0.76SS**  trans-96.6140.1176.6-100.7-94.4000111.9
371Q24.4Very low26.1Very low159 Ų159144.9 Ų144.974%0.74377%0.771SS**  trans54.2130.2133.4-94175.6-9.900124.5
372S24.3Very low25.8Very low84 Ų84140.2 Ų140.259%0.58776%0.764SS**  80.4121.7128.8-56.40000121
373N26.5Very low26.3Very low160 Ų160138 Ų13886%0.85676%0.758SS**  161.9130.5108.5-82-36.5000113.7
374S21.2Very low26Very low108 Ų108138.4 Ų138.476%0.75576%0.762SS**  trans-77.8143.2159.846.30000111.7
375S24.9Very low26.1Very low108 Ų108137.9 Ų137.976%0.75576%0.762SS**  164.2145.9126.673.20000114.7
376T25.6Very low25.9Very low123 Ų123137 Ų13776%0.75576%0.76SS**  trans80.993.3143.8-28.50000122
377F19.6Very low26Very low176 Ų176136.4 Ų136.477%0.77276%0.762SS**  28.1130.1115.2-155.4-107.8000120.7
378V24.1Very low25.8Very low114 Ų114135 Ų13569%0.69176%0.763SS**  163.5104.3128.1164.60000111
379Q24.8Very low26Very low143 Ų143138.5 Ų138.567%0.66877%0.772SS**  65123.3119.9-137.4155.5-25.800124.3
380T24.6Very low25.6Very low110 Ų110138.2 Ų138.268%0.67577%0.766SS**  trans65.6113142.251.80000121.7
381D26.5Very low25.7Very low167 Ų167137 Ų13789%0.89377%0.772SS**  -169.4147.6106.7-94.2-22.5000113
382S24.7Very low25.7Very low107 Ų107136.9 Ų136.975%0.74877%0.771SS**  trans-120.8171.6173-164.60000106.3
383P35.2Very low25.8Very low113 Ų113139 Ų13973%0.73478%0.781SS**  cis-132.6-178-8.931.8-9.6000114.4
384A20.9Very low25.9Very low94 Ų94138.4 Ų138.478%0.77778%0.777SS**  trans70.6106.3147.600000120.9
385Q29.2Very low26.3Very low191 Ų191137.9 Ų137.989%0.89377%0.774SS**  trans-161.3120.5139.4-121.5172.56.100113.6
386S23.3Very low26.6Very low104 Ų104138.1 Ų138.173%0.72777%0.772SS**  trans18.2121.1139.5-49.50000119.7
387L30.8Very low26.5Very low177 Ų177142.5 Ų142.593%0.92778%0.777SS**  trans-158125.5133.4-109.6153.7000112.1
388S24.4Very low26.9Very low100 Ų100138.5 Ų138.570%0.69978%0.776SS**  trans-90.5148.8-172-31.80000111.9
389K32.1Very low26.9Very low204 Ų204143 Ų14389%0.88779%0.787SS**  trans173.5100.1155.6-97.5166.2-173.9-174.70105.5
390E24.2Very low27.1Very low170 Ų170141 Ų14179%0.79479%0.794SS**  72.9132.656.9-158.6166.3-171.400114.6
391L27.7Very low27Very low166 Ų166141.7 Ų141.787%0.86980%0.798SS**  trans94.893.3-171-60.7160.1000113.5
392Q24Very low27Very low156 Ų156139.7 Ų139.773%0.72979%0.792SS**  cis82.2103.241.4-159.7154.810.900114.8
393T27.8Very low27.4Very low129 Ų129139.8 Ų139.879%0.79179%0.791SS**  trans-168.1108.9134.129.80000110.1
394D27.8Very low26.7Very low146 Ų146140.3 Ų140.378%0.78179%0.791SS**  trans64.2104.2134.9-54.8-19.4000122.7
395S31Very low26.9Very low98 Ų98141.3 Ų141.369%0.68579%0.793SS**  trans-83.4147145.3175.40000108.7
396P30.5Very low26.6Very low112 Ų112137.5 Ų137.573%0.72778%0.783SS**  -155.2139.5100.433.6-12.1000117.3
397Y23.9Very low26.8Very low215 Ų215138.8 Ų138.884%0.84379%0.787SS**  37.1128.2126.2-85.6-100.4000120.9
398A27.7Very low26.4Very low92 Ų92134.9 Ų134.976%0.7677%0.774SS**  165.9135.990.300000112.7
399K24.5Very low26.5Very low209 Ų209137 Ų13791%0.90978%0.782SS**  trans-63.9138.1162.5-75.8169.1168.6174.90110.8
400A27.5Very low26Very low100 Ų100134.4 Ų134.483%0.82677%0.773SS**  trans-158.2102.3150.500000112.4
401T24Very low26Very low125 Ų125134.2 Ų134.277%0.76778%0.776SS**  trans-24.1131.4145.4-52.90000116.2
402T25.8Very low25.8Very low125 Ų125133.2 Ų133.277%0.76777%0.767SS**  trans22.3158.9148.343.40000121.2
403P33.7Very low25.7Very low109 Ų109131.4 Ų131.471%0.70877%0.766SS**  cis-145.1173.719.236.3-12.8000117.8
404V20.4Very low25.5Very low124 Ų124130 Ų13075%0.75276%0.762SS**  trans9.7126.9142.2-172.30000120.3
405S25.6Very low25.2Very low115 Ų115127.8 Ų127.880%0.80476%0.757SS**  trans-154.6103147.3-71.60000106.7
406T21.9Very low25Very low111 Ų111129.6 Ų129.668%0.68176%0.764SS**  56.8104.383.8-36.40000114
407T27.4Very low24.7Very low132 Ų132131.6 Ų131.681%0.8177%0.769SS**  trans-175.289.1137.1-55.50000105.7
408S23.1Very low24.7Very low94 Ų94126.8 Ų126.866%0.65777%0.766SS**  57.996.489.5-57.90000113.8
409V25.7Very low24.6Very low144 Ų144131.5 Ų131.587%0.87377%0.772SS**  trans-121.5109.6139.8177.40000106.7
410E21.8Very low24.7Very low151 Ų151128 Ų12871%0.70676%0.763SS**  trans-94.6116.6178.2172.8179.9-162.400106.6
411I25.3Very low24.5Very low166 Ų166127.5 Ų127.585%0.85176%0.759SS**  trans-134.1125.7150.3-59.5-176.5000108.5
412Q22.2Very low24.6Very low145 Ų145130.9 Ų130.968%0.67876%0.759SS**  trans-89150.8-169.6-102.9-177.9-16.700111.9
413V21.7Very low24.5Very low117 Ų117135 Ų13571%0.70976%0.763SS**  92.3104.6127.3171.70000119.6
414S24Very low24Very low101 Ų101136.7 Ų136.771%0.70676%0.764SS**  78.5114.2125.874.90000122.7
415S22.2Very low24.4Very low98 Ų98134.3 Ų134.369%0.68577%0.765SS**  50.9115.6113.1-168.30000119.3
416T27.2Very low24.3Very low136 Ų136135.4 Ų135.483%0.83476%0.762SS**  trans-142.4101.1140.349.40000108.8
417D22.9Very low24.8Very low154 Ų154138.2 Ų138.282%0.82477%0.771SS**  trans-71.1131.8155.5-69.3-45.1000108.7
418C24.9Very low24.6Very low115 Ų115138.2 Ų138.278%0.77777%0.766SS**  trans-160.1108.8147.350.10000110.5
419E24.3Very low24.7Very low190 Ų190141.1 Ų141.189%0.88877%0.774SS**  trans-61.2139.3156.7-68.3172.3139.800109.3
420N27.3Very low24.8Very low136 Ų136138.7 Ų138.773%0.72777%0.769SS**  trans-151111.1158.5-108.3-6.2000109.9Y422N420-Y422 HydrophobicContact CB-CE2 4.3Å
421A23.5Very low25.2Very low90 Ų90136.5 Ų136.574%0.74477%0.771SS**  trans-87.1132.6168.900000110.1
422Y25.9Very low25.4Very low195 Ų195134.5 Ų134.577%0.76577%0.771SS**  trans-145.199.9163.3-72.8-77.1000107.2N420N420-Y422 HydrophobicContact CB-CE2 4.3Å
423Y24.1Very low25.7Very low213 Ų213134.5 Ų134.584%0.83578%0.776SS**  61.1103.194.7-103.6-90.1000116.1
424L22.8Very low25.9Very low143 Ų143135 Ų13575%0.74978%0.775SS**  40.3124.3122.3-153.571.7000119.3
425G28.1Very low26Very low74 Ų74141.4 Ų141.476%0.76379%0.785SS**  trans-158.9103.1164.900000112.1
426D24.6Very low26.2Very low139 Ų139143.5 Ų143.574%0.74378%0.784SS**  trans-63.7141.7170.3-62.1-57.5000112.2
427I31Very low26Very low169 Ų169146.9 Ų146.987%0.86779%0.787SS**  trans-136.2107.2159.7-61.5-177.6000109.4
428D24.5Very low26.3Very low132 Ų132144.5 Ų144.571%0.70678%0.779SS**  trans-70.5163.4167.2-81.2-45.8000113.6
429N24.3Very low26.3Very low156 Ų156145 Ų14583%0.83478%0.781SS**  trans72.9117.6147.9-78-34000119.2
430A28.7Very low26.9Very low93 Ų93140.9 Ų140.977%0.76977%0.774SS**  167.6136.598.900000113.8
431S30.6Very low27.4Very low105 Ų105140.8 Ų140.873%0.73477%0.774SS**  trans69.390.4140.1-165.60000119.7
432S28.5Very low28.1Very low123 Ų123144.6 Ų144.686%0.8678%0.776SS**  trans-89.2123.3160.2179.30000111.1
433N28.7Very low28.6Very low145 Ų145143.2 Ų143.278%0.77578%0.776SS**  trans-98.8111.8166.5-89.6-32000109.2
434N26.3Very low29.4Very low127 Ų127139.9 Ų139.968%0.67977%0.769SS**  trans17.5101.2134.6-163.320.9000118
435Y26.5Very low30.3Very low236 Ų236140 Ų14093%0.92577%0.765SS**  trans-147.5130.1131.6-84.8-72.2000110.4
436H24.5Very low30.9Very low142 Ų142140.7 Ų140.766%0.65776%0.755SS**  trans-92114-170.4173.2-71.1000109.5T438H436-T438 VanDerWaalsContact CE1-CG2 3.46Å; H436-T438 WeakPolarHBondContact CE1-CG2 3.39Å; H436-T438 WeakPolarHBondContact NE2-CG2 3.39Å
437F24.7Very low31.7Very low207 Ų207140.7 Ų140.791%0.90875%0.75SS**  trans-132.3100.3154.3-134.6-93.3000108.4C439F437-C439 PolarHBondContact O-N 3.35Å
438T28Very low32.6Very low105 Ų105135.3 Ų135.364%0.64473%0.727SS**  trans-77.4109.6176.344.80000108.9H436H436-T438 VanDerWaalsContact CE1-CG2 3.46Å; H436-T438 WeakPolarHBondContact CE1-CG2 3.39Å; H436-T438 WeakPolarHBondContact NE2-CG2 3.39Å
439C25.8Very low33.6Very low124 Ų124132.2 Ų132.284%0.83872%0.716SS**  trans-113.2138.9156.9-1610000108.9F437F437-C439 PolarHBondContact O-N 3.35Å
440S35.9Very low34.4Very low104 Ų104130.2 Ų130.273%0.72771%0.705SS**  trans-79.3129.6-159.3-60.20000114.1E442S440-E442 VanDerWaalsContact C-N 3.31Å; S440-E442 PolarHBondContact O-N 3.5Å
441N38.2Very low35.9Very low135 Ų135135.1 Ų135.172%0.72270%0.704SS**SBendtrans36.9-5.2139.7-74.71.7000124.9
442E38.7Very low37.4Very low169 Ų169134.7 Ų134.779%0.7969%0.693SS**Hα-helixtrans-79.5-28174.3-86.3-177.216200113.1S440 Q444 Q445S440-E442 VanDerWaalsContact C-N 3.31Å; S440-E442 PolarHBondContact O-N 3.5Å; E442-Q444 PolarHBondContact O-N 3.01Å; E442-Q445 PolarHBondContact O-N 3.28Å
443E36.9Very low38.8Very low166 Ų166133.4 Ų133.478%0.77668%0.68SS**Hα-helixtrans-71.4-24.3178-79.1-176.4156.300113.9T446 Q447E443-T446 PolarHBondContact O-OG1 3.01Å; E443-Q447 WeakPolarHBondContact O-CB 3.31Å; E443-Q447 PolarHBondContact O-N 3.21Å; E443-Q447 VanDerWaalsContact O-N 3.12Å
444Q39.9Very low40.5Very low144 Ų144132 Ų13267%0.67367%0.672SS**Hα-helixtrans-75.9-27.3177.2-77.3-163-4.700113E442 S448E442-Q444 PolarHBondContact O-N 3.01Å; Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.41Å
445Q42.8Very low42.6Very low146 Ų146129.1 Ų129.168%0.68266%0.661SS**Hα-helixtrans-76.6-38178.4-161.8143.115.500111.2E442 S448 S449E442-Q445 PolarHBondContact O-N 3.28Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.05Å; Q445-S449 PolarHBondContact O-N 3.4Å; Q445-S449 VanDerWaalsContact O-N 3.14Å; Q445-S449 PolarHBondContact O-OG 3.45Å
446T39.7Very low44.9Very low88 Ų88123.7 Ų123.754%0.5464%0.642SS.*Hα-helixtrans-69.6-35.917453.30000112.6E443 S448 S449 L450E443-T446 PolarHBondContact O-OG1 3.01Å; T446-S448 VanDerWaalsContact C-N 3.33Å; T446-S448 PolarHBondContact O-N 3.17Å; T446-S449 PolarHBondContact O-N 2.94Å; T446-L450 PolarHBondContact O-N 2.69Å
447Q40.6Very low47.2Very low139 Ų139119.7 Ų119.765%0.6563%0.63SS**Hα-helixtrans-66.2-34171.7-115.6-175.3-7.400112.8E443 R451E443-Q447 WeakPolarHBondContact O-CB 3.31Å; E443-Q447 PolarHBondContact O-N 3.21Å; E443-Q447 VanDerWaalsContact O-N 3.12Å; Q447-R451 VanDerWaalsContact O-CB 3.31Å; Q447-R451 WeakPolarHBondContact O-CB 3.38Å; Q447-R451 PolarHBondContact O-N 2.87Å
448S50.4Low49.6Very low55 Ų55114.8 Ų114.839%0.38561%0.614SS.*Hα-helixtrans-66-40.6175.2730000112Q444 Q445 T446 R451 D452Q444-S448 WeakPolarHBondContact O-CB 3.48Å; Q444-S448 PolarHBondContact O-N 3.41Å; Q445-S448 PolarHBondContact O-N 3.22Å; Q445-S448 PolarHBondContact O-OG 3.05Å; T446-S448 VanDerWaalsContact C-N 3.33Å; T446-S448 PolarHBondContact O-N 3.17Å; S448-R451 PolarHBondContact O-N 3.26Å; S448-D452 PolarHBondContact O-N 2.97Å
449S46.4Very low52.1Low68 Ų68115.7 Ų115.748%0.47661%0.611SS.*Hα-helixtrans-68.2-38.7176-58.50000112.8Q445 T446 R451 D452 V453Q445-S449 PolarHBondContact O-N 3.4Å; Q445-S449 VanDerWaalsContact O-N 3.14Å; Q445-S449 PolarHBondContact O-OG 3.45Å; T446-S449 PolarHBondContact O-N 2.94Å; S449-R451 VanDerWaalsContact C-N 3.34Å; S449-D452 PolarHBondContact O-N 3.4Å; S449-V453 WeakPolarHBondContact O-CG2 3.35Å; S449-V453 PolarHBondContact O-N 2.93Å; S449-V453 VanDerWaalsContact O-N 3.1Å
450L41.7Very low54.6Low114 Ų114114.7 Ų114.760%0.59760%0.596SS**Hα-helixtrans-66.9-35.5173.6-76.5176.5000112.3T446 D452 V453 L454T446-L450 PolarHBondContact O-N 2.69Å; L450-D452 VanDerWaalsContact C-N 3.34Å; L450-V453 PolarHBondContact O-N 3.2Å; L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.38Å
451R60.3Low56.8Low196 Ų196114 Ų11474%0.7458%0.584SS**Hα-helixtrans-66.1-37.5175-166.4178.7-171.1166.73.2111.9Q447 S448 S449 S455Q447-R451 VanDerWaalsContact O-CB 3.31Å; Q447-R451 WeakPolarHBondContact O-CB 3.38Å; Q447-R451 PolarHBondContact O-N 2.87Å; S448-R451 PolarHBondContact O-N 3.26Å; S449-R451 VanDerWaalsContact C-N 3.34Å; R451-S455 VanDerWaalsContact O-CB 3.29Å; R451-S455 WeakPolarHBondContact O-CB 3.43Å; R451-S455 PolarHBondContact O-N 2.87Å
452D61.3Low59.1Low95 Ų95113.7 Ų113.751%0.50858%0.578SS.*Hα-helixtrans-67.1-35.5174.7-78.4-7.2000112.3S448 S449 L450 K456S448-D452 PolarHBondContact O-N 2.97Å; S449-D452 PolarHBondContact O-N 3.4Å; L450-D452 VanDerWaalsContact C-N 3.34Å; D452-K456 WeakPolarHBondContact O-CB 3.45Å; D452-K456 WeakPolarHBondContact O-CD 3.47Å; D452-K456 WeakPolarHBondContact O-CG 3.31Å; D452-K456 PolarHBondContact O-N 2.92Å
453V58.2Low61.2Low96 Ų96110.9 Ų110.958%0.58257%0.568SS**Hα-helixtrans-70.2-44.1175.7174.90000111.1S449 L450 S455 K456 S457S449-V453 WeakPolarHBondContact O-CG2 3.35Å; S449-V453 PolarHBondContact O-N 2.93Å; S449-V453 VanDerWaalsContact O-N 3.1Å; L450-V453 PolarHBondContact O-N 3.2Å; V453-S455 VanDerWaalsContact C-N 3.35Å; V453-K456 PolarHBondContact O-N 3.03Å; V453-S457 PolarHBondContact O-N 3.49Å
454L64.2Low63.4Low117 Ų117106.8 Ų106.861%0.61355%0.554SS**Hα-helixtrans-62.5-42.4174.7-71.8172000111.4L450 K456 S457 D458L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.38Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 3.07Å; L454-S457 WeakPolarHBondContact O-CB 3.48Å; L454-S457 PolarHBondContact O-N 3.17Å; L454-S457 VanDerWaalsContact O-N 3.17Å; L454-D458 PolarHBondContact O-N 3.28Å
455S70.5Confident65.6Low65 Ų65105 Ų10546%0.45555%0.549SS..Hα-helixtrans-61.8-37176.7-169.50000112.6R451 V453 E459R451-S455 VanDerWaalsContact O-CB 3.29Å; R451-S455 WeakPolarHBondContact O-CB 3.43Å; R451-S455 PolarHBondContact O-N 2.87Å; V453-S455 VanDerWaalsContact C-N 3.35Å; S455-E459 PolarHBondContact O-N 3.19Å
456K74.3Confident67.6Low122 Ų122103.5 Ų103.553%0.5354%0.542SS..Hα-helixtrans-72.9-33.9175.9-79.3161.2-176.7164.80112.5D452 V453 L454 D458 E459 I460D452-K456 WeakPolarHBondContact O-CB 3.45Å; D452-K456 WeakPolarHBondContact O-CD 3.47Å; D452-K456 WeakPolarHBondContact O-CG 3.31Å; D452-K456 PolarHBondContact O-N 2.92Å; V453-K456 PolarHBondContact O-N 3.03Å; L454-K456 VanDerWaalsContact C-N 3.3Å; L454-K456 PolarHBondContact O-N 3.07Å; K456-D458 VanDerWaalsContact C-N 3.34Å; K456-E459 PolarHBondContact O-N 3.4Å; K456-I460 VanDerWaalsContact O-CG1 3.3Å; K456-I460 WeakPolarHBondContact O-CG1 3.43Å; K456-I460 PolarHBondContact O-N 2.99Å
457S72.1Confident69.3Low58 Ų58104.1 Ų104.141%0.40654%0.542SS..Hα-helixtrans-63.6-41.8172.8-171.90000111.2V453 L454 I460 N461V453-S457 PolarHBondContact O-N 3.49Å; L454-S457 WeakPolarHBondContact O-CB 3.48Å; L454-S457 PolarHBondContact O-N 3.17Å; L454-S457 VanDerWaalsContact O-N 3.17Å; S457-I460 PolarHBondContact O-N 3.21Å; S457-N461 PolarHBondContact O-N 3.13Å; S457-N461 PolarHBondContact O-ND2 3.36Å
458D76.2Confident71.5Confident104 Ų104100.6 Ų100.656%0.55653%0.53SS*.Hα-helixtrans-66.8-40.7175.8-68.2-26.9000111.6L454 K456 I460 N461 E462L454-D458 PolarHBondContact O-N 3.28Å; K456-D458 VanDerWaalsContact C-N 3.34Å; D458-I460 VanDerWaalsContact C-N 3.34Å; D458-I460 PolarHBondContact O-N 3.43Å; D458-N461 PolarHBondContact O-N 3.4Å; D458-E462 WeakPolarHBondContact O-CB 3.37Å; D458-E462 PolarHBondContact O-N 2.95Å
459E80.2Confident73.1Confident125 Ų125102.9 Ų102.958%0.58454%0.538SS*.Hα-helixtrans-59.1-41.3172.8-106.5179.5173.600112.8S455 K456 E462 L463S455-E459 PolarHBondContact O-N 3.19Å; K456-E459 PolarHBondContact O-N 3.4Å; E459-E462 PolarHBondContact O-N 3.3Å; E459-L463 WeakPolarHBondContact O-CG 3.33Å; E459-L463 PolarHBondContact O-N 2.99Å
460I79.3Confident74.8Confident103 Ų103104.5 Ų104.553%0.52854%0.538SS..Hα-helixtrans-66.6-44177.3-73.8165.4000110.6K456 S457 D458 E462 L463 V464K456-I460 VanDerWaalsContact O-CG1 3.3Å; K456-I460 WeakPolarHBondContact O-CG1 3.43Å; K456-I460 PolarHBondContact O-N 2.99Å; S457-I460 PolarHBondContact O-N 3.21Å; D458-I460 VanDerWaalsContact C-N 3.34Å; D458-I460 PolarHBondContact O-N 3.43Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 2.82Å; I460-L463 PolarHBondContact O-N 3.5Å; I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 3.3Å
461N81.9Confident76.6Confident90 Ų90103.2 Ų103.248%0.48153%0.531SS..Hα-helixtrans-61.1-40.5176.2-73.2-32.7000111.1S457 D458 L463 V464 D465S457-N461 PolarHBondContact O-N 3.13Å; S457-N461 PolarHBondContact O-ND2 3.36Å; D458-N461 PolarHBondContact O-N 3.4Å; N461-L463 PolarHBondContact O-N 2.91Å; N461-V464 PolarHBondContact O-N 3.01Å; N461-D465 PolarHBondContact O-N 3.33Å
462E85.4Confident77.8Confident128 Ų12898.1 Ų98.160%0.59852%0.518SS*.Hα-helixtrans-67.5-34.9177-168.7151.8-176.200112.6D458 E459 I460 Q466D458-E462 WeakPolarHBondContact O-CB 3.37Å; D458-E462 PolarHBondContact O-N 2.95Å; E459-E462 PolarHBondContact O-N 3.3Å; I460-E462 VanDerWaalsContact C-N 3.28Å; I460-E462 PolarHBondContact O-N 2.82Å; E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.01Å
463L84Confident78.9Confident110 Ų11097.4 Ų97.458%0.57652%0.517SS*.Hα-helixtrans-66.3-39.6171.5-79.9168.3000112.7E459 I460 N461 Q466 L467E459-L463 WeakPolarHBondContact O-CG 3.33Å; E459-L463 PolarHBondContact O-N 2.99Å; I460-L463 PolarHBondContact O-N 3.5Å; N461-L463 PolarHBondContact O-N 2.91Å; L463-Q466 PolarHBondContact O-N 3.45Å; L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 2.86Å
464V82.2Confident79.4Confident80 Ų8099.5 Ų99.549%0.48552%0.516SS..Hα-helixtrans-66.2-41.8176.9170.90000111I460 N461 L467 T468I460-V464 WeakPolarHBondContact O-CG2 3.45Å; I460-V464 PolarHBondContact O-N 3.3Å; N461-V464 PolarHBondContact O-N 3.01Å; V464-L467 PolarHBondContact O-N 2.92Å; V464-T468 WeakPolarHBondContact O-CB 3.4Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 3.16Å
465D85.5Confident79.8Confident105 Ų10598.2 Ų98.256%0.56151%0.51SS*.Hα-helixtrans-66.9-38.4174.9-85.1-14.8000111.9N461 T468 N469N461-D465 PolarHBondContact O-N 3.33Å; D465-T468 PolarHBondContact O-N 2.89Å; D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 2.96Å; D465-N469 PolarHBondContact O-ND2 3.48Å
466Q86Confident80.1Confident116 Ų116103.6 Ų103.654%0.54252%0.52SS..Hα-helixtrans-60.4-49171.9-84.4-17910.500111.8E462 L463 T468 N469 E470E462-Q466 WeakPolarHBondContact O-CB 3.46Å; E462-Q466 WeakPolarHBondContact O-CG 3.49Å; E462-Q466 PolarHBondContact O-N 3.01Å; L463-Q466 PolarHBondContact O-N 3.45Å; Q466-T468 VanDerWaalsContact C-N 3.31Å; Q466-T468 PolarHBondContact O-N 3.04Å; Q466-N469 PolarHBondContact O-N 3.34Å; Q466-E470 WeakPolarHBondContact O-CB 3.34Å; Q466-E470 PolarHBondContact O-N 3.01Å
467L75.7Confident80.1Confident100 Ų100101 Ų10152%0.52451%0.514SS..Hα-helixtrans-62.4-40.8179.8-169.573.6000111.4L463 V464 N469 E470 I471L463-L467 WeakPolarHBondContact O-CB 3.3Å; L463-L467 PolarHBondContact O-N 2.86Å; V464-L467 PolarHBondContact O-N 2.92Å; L467-N469 PolarHBondContact O-N 2.95Å; L467-E470 PolarHBondContact O-N 3.14Å; L467-I471 HydrophobicContact CG-CD1 4.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.44Å
468T86.1Confident79.7Confident66 Ų66102.7 Ų102.741%0.40552%0.518SS..Hα-helixtrans-62.8-42.9176.7-59.70000111.3V464 D465 Q466 E470 N472V464-T468 WeakPolarHBondContact O-CB 3.4Å; V464-T468 PolarHBondContact O-N 3.36Å; V464-T468 PolarHBondContact O-OG1 3.16Å; D465-T468 PolarHBondContact O-N 2.89Å; Q466-T468 VanDerWaalsContact C-N 3.31Å; Q466-T468 PolarHBondContact O-N 3.04Å; T468-E470 VanDerWaalsContact C-N 3.35Å; T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.29Å; T468-N472 PolarHBondContact O-N 3.35Å; T468-N472 PolarHBondContact O-ND2 3.46Å
469N83.5Confident79.5Confident103 Ų103103.2 Ų103.255%0.55152%0.515SS*.Hα-helixtrans-66-36.6174.4-78.4-34000112.4D465 Q466 L467 N472 T473D465-N469 WeakPolarHBondContact O-CB 3.38Å; D465-N469 PolarHBondContact O-N 2.96Å; D465-N469 PolarHBondContact O-ND2 3.48Å; Q466-N469 PolarHBondContact O-N 3.34Å; L467-N469 PolarHBondContact O-N 2.95Å; N469-N472 PolarHBondContact O-N 3.33Å; N469-T473 WeakPolarHBondContact O-CB 3.26Å; N469-T473 PolarHBondContact O-N 3.1Å; N469-T473 PolarHBondContact O-OG1 3.46Å
470E81.5Confident79Confident102 Ų102100.9 Ų100.948%0.47751%0.507SS..Hα-helixtrans-66.2-45.3177-142.2-179.7-161.400111.2Q466 L467 T468 N472 T473 Y474Q466-E470 WeakPolarHBondContact O-CB 3.34Å; Q466-E470 PolarHBondContact O-N 3.01Å; L467-E470 PolarHBondContact O-N 3.14Å; T468-E470 VanDerWaalsContact C-N 3.35Å; E470-N472 PolarHBondContact O-N 3.27Å; E470-T473 CarbonylContact O-C 3.6Å; E470-T473 WeakPolarHBondContact O-CA 3.38Å; E470-T473 WeakPolarHBondContact O-CB 3.45Å; E470-T473 PolarHBondContact O-N 2.89Å; E470-T473 VanDerWaalsContact O-N 3.09Å; E470-Y474 HydrophobicContact CB-CE2 4.48Å; E470-Y474 HydrophobicContact CG-CD2 4.35Å; E470-Y474 HydrophobicContact CG-CE2 3.8Å; E470-Y474 WeakPolarHBondContact O-CD2 3.42Å; E470-Y474 PolarHBondContact O-N 3.36Å
471I80.8Confident78.1Confident86 Ų86100 Ų10044%0.44150%0.502SS..Hα-helixtrans-59.8-45173.9-70167.2000111L467 T473 Y474 N475L467-I471 HydrophobicContact CG-CD1 4.23Å; L467-I471 WeakPolarHBondContact O-CG1 3.45Å; L467-I471 PolarHBondContact O-N 3.44Å; I471-T473 VanDerWaalsContact C-N 3.26Å; I471-T473 PolarHBondContact O-N 3.38Å; I471-Y474 PolarHBondContact O-N 3.41Å; I471-N475 WeakPolarHBondContact O-CB 3.39Å; I471-N475 PolarHBondContact O-N 2.95Å; I471-N475 PolarHBondContact O-ND2 3.18Å
472N84.1Confident76.6Confident89 Ų8998.3 Ų98.348%0.47649%0.493SS..Hα-helixtrans-63.4-34.9175.9-74.8-31.1000112T468 N469 E470 R476T468-N472 WeakPolarHBondContact O-CB 3.41Å; T468-N472 VanDerWaalsContact O-CG 3.29Å; T468-N472 PolarHBondContact O-N 3.35Å; T468-N472 PolarHBondContact O-ND2 3.46Å; N469-N472 PolarHBondContact O-N 3.33Å; E470-N472 PolarHBondContact O-N 3.27Å; N472-R476 VanDerWaalsContact O-CB 3.32Å; N472-R476 WeakPolarHBondContact O-CB 3.41Å; N472-R476 PolarHBondContact O-N 2.85Å
473T84.9Confident75.5Confident81 Ų8197 Ų9750%0.49749%0.49SS..Hα-helixtrans-68.1-45174.8-55.50000110.9N469 E470 I471 N475 R476 V477N469-T473 WeakPolarHBondContact O-CB 3.26Å; N469-T473 PolarHBondContact O-N 3.1Å; N469-T473 PolarHBondContact O-OG1 3.46Å; E470-T473 CarbonylContact O-C 3.6Å; E470-T473 WeakPolarHBondContact O-CA 3.38Å; E470-T473 WeakPolarHBondContact O-CB 3.45Å; E470-T473 PolarHBondContact O-N 2.89Å; E470-T473 VanDerWaalsContact O-N 3.09Å; I471-T473 VanDerWaalsContact C-N 3.26Å; I471-T473 PolarHBondContact O-N 3.38Å; T473-N475 PolarHBondContact O-N 2.89Å; T473-R476 PolarHBondContact O-N 2.84Å; T473-V477 HydrophobicContact CG2-CG2 4.43Å; T473-V477 WeakPolarHBondContact O-CB 3.47Å; T473-V477 VanDerWaalsContact O-CG2 3.28Å; T473-V477 WeakPolarHBondContact O-CG2 3.36Å; T473-V477 PolarHBondContact O-N 3.5Å
474Y68.5Low74.4Confident139 Ų139102.6 Ų102.655%0.54550%0.503SS..Hα-helixtrans-60.3-45.3174.2-75-59.3000111.7E470 I471 R476 V477 I478E470-Y474 HydrophobicContact CB-CE2 4.48Å; E470-Y474 HydrophobicContact CG-CD2 4.35Å; E470-Y474 HydrophobicContact CG-CE2 3.8Å; E470-Y474 WeakPolarHBondContact O-CD2 3.42Å; E470-Y474 PolarHBondContact O-N 3.36Å; I471-Y474 PolarHBondContact O-N 3.41Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.31Å; Y474-V477 PolarHBondContact O-N 3.43Å; Y474-I478 WeakPolarHBondContact O-CB 3.02Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.11Å; Y474-I478 PolarHBondContact O-N 2.83Å
475N72.5Confident73Confident91 Ų91104 Ų10449%0.48751%0.508SS..Hα-helixtrans-60.9-40.9175.6-76.8-35000111.9I471 T473 I478 F479I471-N475 WeakPolarHBondContact O-CB 3.39Å; I471-N475 PolarHBondContact O-N 2.95Å; I471-N475 PolarHBondContact O-ND2 3.18Å; T473-N475 PolarHBondContact O-N 2.89Å; N475-I478 PolarHBondContact O-N 3.33Å; N475-F479 VanDerWaalsContact O-CB 3.3Å; N475-F479 WeakPolarHBondContact O-CB 3.42Å; N475-F479 PolarHBondContact O-N 2.94Å
476R77.1Confident71.3Confident178 Ų178101.9 Ų101.967%0.67251%0.511SS*.Hα-helixtrans-66.6-41.5175.6-170.4176.8-172.8-130.9-0.4112.2N472 T473 Y474 F479 D480N472-R476 VanDerWaalsContact O-CB 3.32Å; N472-R476 WeakPolarHBondContact O-CB 3.41Å; N472-R476 PolarHBondContact O-N 2.85Å; T473-R476 PolarHBondContact O-N 2.84Å; Y474-R476 VanDerWaalsContact C-N 3.31Å; Y474-R476 PolarHBondContact O-N 3.31Å; R476-F479 PolarHBondContact O-N 3.1Å; R476-D480 WeakPolarHBondContact O-CB 3.44Å; R476-D480 PolarHBondContact O-N 3.36Å
477V75Confident69.4Low68 Ų6898.9 Ų98.941%0.41250%0.5SS..Hα-helixtrans-64.3-43.1175.7169.30000110.6T473 Y474 F479 D480 I481T473-V477 HydrophobicContact CG2-CG2 4.43Å; T473-V477 WeakPolarHBondContact O-CB 3.47Å; T473-V477 VanDerWaalsContact O-CG2 3.28Å; T473-V477 WeakPolarHBondContact O-CG2 3.36Å; T473-V477 PolarHBondContact O-N 3.5Å; Y474-V477 PolarHBondContact O-N 3.43Å; V477-F479 VanDerWaalsContact C-N 3.33Å; V477-F479 PolarHBondContact O-N 2.86Å; V477-D480 PolarHBondContact O-N 3.06Å; V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.25Å; V477-I481 WeakPolarHBondContact O-CB 3.35Å; V477-I481 WeakPolarHBondContact O-CD1 3.49Å; V477-I481 WeakPolarHBondContact O-CG1 3.19Å; V477-I481 PolarHBondContact O-N 3.23Å
478I62.5Low68.3Low92 Ų92100.5 Ų100.547%0.47251%0.506SS..Hα-helixtrans-60.6-45.8174.1-69.9170000109.8Y474 N475 D480 I481 L482Y474-I478 WeakPolarHBondContact O-CB 3.02Å; Y474-I478 VanDerWaalsContact O-CG1 3.25Å; Y474-I478 WeakPolarHBondContact O-CG1 3.11Å; Y474-I478 PolarHBondContact O-N 2.83Å; N475-I478 PolarHBondContact O-N 3.33Å; I478-D480 PolarHBondContact O-N 2.97Å; I478-I481 PolarHBondContact O-N 2.93Å; I478-L482 HydrophobicContact CG2-CD1 3.93Å; I478-L482 HydrophobicContact CG2-CG 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.42Å; I478-L482 VanDerWaalsContact O-CG 3.22Å; I478-L482 WeakPolarHBondContact O-CG 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å
479F72Confident66.4Low116 Ų116102.7 Ų102.751%0.50951%0.514SS..Hα-helixtrans-62.1-41.6177.1-167.5-96.6000112.5N475 R476 V477 L482 N483N475-F479 VanDerWaalsContact O-CB 3.3Å; N475-F479 WeakPolarHBondContact O-CB 3.42Å; N475-F479 PolarHBondContact O-N 2.94Å; R476-F479 PolarHBondContact O-N 3.1Å; V477-F479 VanDerWaalsContact C-N 3.33Å; V477-F479 PolarHBondContact O-N 2.86Å; F479-L482 PolarHBondContact O-N 3.3Å; F479-N483 VanDerWaalsContact CD1-ND2 3.34Å; F479-N483 WeakPolarHBondContact CD1-ND2 3.45Å; F479-N483 WeakPolarHBondContact CE1-ND2 3.43Å; F479-N483 PolarHBondContact O-N 3.05Å; F479-N483 PolarHBondContact O-ND2 3.03Å
480D70.4Confident64.9Low75 Ų75100.5 Ų100.540%0.40151%0.507SS..Hα-helixtrans-69.2-36.3176.3-77.5-16.9000112R476 V477 I478 N483 R484R476-D480 WeakPolarHBondContact O-CB 3.44Å; R476-D480 PolarHBondContact O-N 3.36Å; V477-D480 PolarHBondContact O-N 3.06Å; I478-D480 PolarHBondContact O-N 2.97Å; D480-N483 PolarHBondContact O-N 2.94Å; D480-R484 WeakPolarHBondContact O-CB 3.4Å; D480-R484 PolarHBondContact O-N 2.93Å
481I60.4Low63.5Low84 Ų84101.9 Ų101.943%0.43151%0.513SS..Hα-helixtrans-65.6-43.7173.7-71.7166.2000110.2V477 I478 N483 R484 N485V477-I481 HydrophobicContact CG1-CD1 3.61Å; V477-I481 HydrophobicContact CG1-CG1 4.25Å; V477-I481 WeakPolarHBondContact O-CB 3.35Å; V477-I481 WeakPolarHBondContact O-CD1 3.49Å; V477-I481 WeakPolarHBondContact O-CG1 3.19Å; V477-I481 PolarHBondContact O-N 3.23Å; I478-I481 PolarHBondContact O-N 2.93Å; I481-N483 VanDerWaalsContact C-N 3.34Å; I481-N483 PolarHBondContact O-N 3.36Å; I481-R484 PolarHBondContact O-N 3.48Å; I481-N485 WeakPolarHBondContact CG2-ND2 3.32Å; I481-N485 WeakPolarHBondContact O-CB 3.46Å; I481-N485 VanDerWaalsContact O-CG 3.25Å; I481-N485 PolarHBondContact O-N 3.46Å; I481-N485 PolarHBondContact O-ND2 3.05Å
482L50.4Low62Low56 Ų56100.8 Ų100.829%0.29351%0.508SS..Hα-helixtrans-60.7-43.8176-71.8169.3000110.9I478 F479 I492I478-L482 HydrophobicContact CG2-CD1 3.93Å; I478-L482 HydrophobicContact CG2-CG 4.41Å; I478-L482 WeakPolarHBondContact O-CB 3.42Å; I478-L482 VanDerWaalsContact O-CG 3.22Å; I478-L482 WeakPolarHBondContact O-CG 3.45Å; I478-L482 PolarHBondContact O-N 3.21Å; F479-L482 PolarHBondContact O-N 3.3Å; L482-I492 HydrophobicContact CD2-CD1 3.62Å
483N62.9Low60.3Low99 Ų99100.5 Ų100.553%0.52951%0.509SS..Hα-helixtrans-69.3-39.1175.7-75.6-31000113.3F479 D480 I481 N485 G486F479-N483 VanDerWaalsContact CD1-ND2 3.34Å; F479-N483 WeakPolarHBondContact CD1-ND2 3.45Å; F479-N483 WeakPolarHBondContact CE1-ND2 3.43Å; F479-N483 PolarHBondContact O-N 3.05Å; F479-N483 PolarHBondContact O-ND2 3.03Å; D480-N483 PolarHBondContact O-N 2.94Å; I481-N483 VanDerWaalsContact C-N 3.34Å; I481-N483 PolarHBondContact O-N 3.36Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.9Å; N483-G486 PolarHBondContact O-N 2.78Å
484R60.1Low58.6Low228 Ų22899.7 Ų99.786%0.8651%0.507SS*.Hα-helixtrans-67.9-32.4178.2-109.5178.375171.31.7112.9D480 I481 G486D480-R484 WeakPolarHBondContact O-CB 3.4Å; D480-R484 PolarHBondContact O-N 2.93Å; I481-R484 PolarHBondContact O-N 3.48Å; R484-G486 PolarHBondContact O-N 3.05Å
485N54Low57.5Low110 Ų11095.8 Ų95.859%0.58850%0.503SS*.THydrogen-bonded Turntrans-81.42.5-178.8-70.1-19.1000112.8I481 N483 V487I481-N485 WeakPolarHBondContact CG2-ND2 3.32Å; I481-N485 WeakPolarHBondContact O-CB 3.46Å; I481-N485 VanDerWaalsContact O-CG 3.25Å; I481-N485 PolarHBondContact O-N 3.46Å; I481-N485 PolarHBondContact O-ND2 3.05Å; N483-N485 VanDerWaalsContact C-N 3.32Å; N483-N485 PolarHBondContact O-N 2.9Å; N485-V487 HydrophobicContact CB-CG2 4.03Å; N485-V487 PolarHBondContact O-N 2.97Å
486G48.7Very low56Low60 Ų6096.1 Ų96.162%0.61950%0.504SS*.THydrogen-bonded Turntrans59.916.3177.300000113.2N483 R484 E488N483-G486 PolarHBondContact O-N 2.78Å; R484-G486 PolarHBondContact O-N 3.05Å; G486-E488 VanDerWaalsContact C-N 3.32Å; G486-E488 PolarHBondContact O-N 3.08Å
487V46.4Very low54.3Low53 Ų5390.6 Ų90.632%0.32149%0.493SS..  trans-81.890.4176.9-173.60000105.3N485 L489 Q491 I492N485-V487 HydrophobicContact CB-CG2 4.03Å; N485-V487 PolarHBondContact O-N 2.97Å; V487-L489 PolarHBondContact O-N 3.3Å; V487-Q491 HydrophobicContact CG1-CB 4.44Å; V487-I492 HydrophobicContact CB-CD1 4.45Å; V487-I492 HydrophobicContact CG1-CD1 3.64Å; V487-I492 HydrophobicContact CG1-CG1 3.63Å
488E51.7Low52.5Low135 Ų13594.3 Ų94.363%0.63151%0.506SS*.  trans-49.8132.7172.3-72.9-173.8168.100108.5G486 S490 Q491G486-E488 VanDerWaalsContact C-N 3.32Å; G486-E488 PolarHBondContact O-N 3.08Å; E488-S490 WeakPolarHBondContact CB-OG 3.38Å; E488-S490 PolarHBondContact O-N 3.21Å; E488-S490 PolarHBondContact OE2-OG 3.3Å; E488-Q491 PolarHBondContact O-N 3.07Å
489L47.3Very low51.3Low111 Ų11196.4 Ų96.458%0.58152%0.517SS*.Hα-helixtrans-48.7-28.4175.4-132.494.8000111.1V487 Q491 I492 V493V487-L489 PolarHBondContact O-N 3.3Å; L489-Q491 VanDerWaalsContact C-N 3.31Å; L489-Q491 PolarHBondContact O-N 3.48Å; L489-I492 PolarHBondContact O-N 3.28Å; L489-V493 HydrophobicContact CD2-CG2 4.45Å; L489-V493 VanDerWaalsContact O-CB 3.22Å; L489-V493 WeakPolarHBondContact O-CB 3.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.24Å
490S51.4Low49.6Very low57 Ų5796.8 Ų96.840%0.39952%0.523SS..Hα-helixtrans-55.3-37173.367.20000113.8E488 S494E488-S490 WeakPolarHBondContact CB-OG 3.38Å; E488-S490 PolarHBondContact O-N 3.21Å; E488-S490 PolarHBondContact OE2-OG 3.3Å; S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 2.9Å; S490-S494 PolarHBondContact O-OG 3.42Å
491Q51.8Low47.9Very low131 Ų13199.6 Ų99.661%0.61254%0.538SS*.Hα-helixtrans-78.7-39179.5-78.4-171.70.900112.4V487 E488 L489 S494 A495V487-Q491 HydrophobicContact CG1-CB 4.44Å; E488-Q491 PolarHBondContact O-N 3.07Å; L489-Q491 VanDerWaalsContact C-N 3.31Å; L489-Q491 PolarHBondContact O-N 3.48Å; Q491-S494 PolarHBondContact O-N 3.35Å; Q491-A495 WeakPolarHBondContact O-CB 3.48Å; Q491-A495 PolarHBondContact O-N 3.5Å
492I49.5Very low46.5Very low64 Ų64104.9 Ų104.933%0.32856%0.558SS.*Hα-helixtrans-70.3-41.1174.5-67.7167.2000110.1L482 V487 L489 S494 A495 L496L482-I492 HydrophobicContact CD2-CD1 3.62Å; V487-I492 HydrophobicContact CB-CD1 4.45Å; V487-I492 HydrophobicContact CG1-CD1 3.64Å; V487-I492 HydrophobicContact CG1-CG1 3.63Å; L489-I492 PolarHBondContact O-N 3.28Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 3.01Å; I492-A495 PolarHBondContact O-N 2.73Å; I492-L496 HydrophobicContact CG2-CD1 3.91Å; I492-L496 HydrophobicContact CG2-CG 4.41Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 WeakPolarHBondContact O-CG 3.39Å; I492-L496 PolarHBondContact O-N 3.12Å
493V49.4Very low45.6Very low83 Ų83107.3 Ų107.350%0.50358%0.58SS.*Hα-helixtrans-65.1-35.7173.71730000110.6L489 S497L489-V493 HydrophobicContact CD2-CG2 4.45Å; L489-V493 VanDerWaalsContact O-CB 3.22Å; L489-V493 WeakPolarHBondContact O-CB 3.37Å; L489-V493 WeakPolarHBondContact O-CG2 3.43Å; L489-V493 PolarHBondContact O-N 3.24Å; V493-S497 WeakPolarHBondContact O-CA 3.48Å; V493-S497 WeakPolarHBondContact O-CB 3.37Å; V493-S497 PolarHBondContact O-N 3.09Å
494S49.2Very low44Very low64 Ų64111.6 Ų111.645%0.44860%0.596SS.*Hα-helixtrans-69.4-37.6172.1-68.60000112.5S490 Q491 I492 S497 Q498S490-S494 WeakPolarHBondContact O-CB 3.36Å; S490-S494 PolarHBondContact O-N 2.9Å; S490-S494 PolarHBondContact O-OG 3.42Å; Q491-S494 PolarHBondContact O-N 3.35Å; I492-S494 VanDerWaalsContact C-N 3.3Å; I492-S494 PolarHBondContact O-N 3.01Å; S494-S497 PolarHBondContact O-N 2.92Å; S494-Q498 WeakPolarHBondContact O-CB 3.47Å; S494-Q498 WeakPolarHBondContact O-CG 3.41Å; S494-Q498 PolarHBondContact O-N 3.32Å
495A45.1Very low42.6Very low57 Ų57105.5 Ų105.547%0.47159%0.588SS.*Hα-helixtrans-67.3-43.2176.500000111.2Q491 I492 Q498 L499Q491-A495 WeakPolarHBondContact O-CB 3.48Å; Q491-A495 PolarHBondContact O-N 3.5Å; I492-A495 PolarHBondContact O-N 2.73Å; A495-Q498 PolarHBondContact O-N 3.41Å; A495-L499 PolarHBondContact O-N 3.43Å
496L40.6Very low42Very low98 Ų98107.6 Ų107.651%0.51360%0.6SS.*Hα-helixtrans-67.5-37.8173-72.2170.2000111.5I492 L499 I500I492-L496 HydrophobicContact CG2-CD1 3.91Å; I492-L496 HydrophobicContact CG2-CG 4.41Å; I492-L496 WeakPolarHBondContact O-CB 3.44Å; I492-L496 WeakPolarHBondContact O-CG 3.39Å; I492-L496 PolarHBondContact O-N 3.12Å; L496-L499 PolarHBondContact O-N 2.93Å; L496-I500 VanDerWaalsContact O-CG1 3.31Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 3.2Å
497S42.2Very low41.4Very low61 Ų61114 Ų11443%0.42761%0.613SS.*Hα-helixtrans-67.6-34.4174.9-174.50000112.1V493 S494 I500 L501V493-S497 WeakPolarHBondContact O-CA 3.48Å; V493-S497 WeakPolarHBondContact O-CB 3.37Å; V493-S497 PolarHBondContact O-N 3.09Å; S494-S497 PolarHBondContact O-N 2.92Å; S497-I500 PolarHBondContact O-N 3.04Å; S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.83Å
498Q38Very low41Very low146 Ų146117.9 Ų117.968%0.68263%0.628SS**Hα-helixtrans-71.2-34.2173.4-80.6-178.221.100111.7S494 A495 I500 L501S494-Q498 WeakPolarHBondContact O-CB 3.47Å; S494-Q498 WeakPolarHBondContact O-CG 3.41Å; S494-Q498 PolarHBondContact O-N 3.32Å; A495-Q498 PolarHBondContact O-N 3.41Å; Q498-I500 VanDerWaalsContact C-N 3.3Å; Q498-I500 PolarHBondContact O-N 2.77Å; Q498-L501 PolarHBondContact O-N 3.34Å
499L36.7Very low41Very low136 Ų136115.6 Ų115.671%0.71262%0.623SS**Hα-helixtrans-67.5-33.3174.5-153.677.9000111.8A495 L496A495-L499 PolarHBondContact O-N 3.43Å; L496-L499 PolarHBondContact O-N 2.93Å
500I35.7Very low41.1Very low125 Ų125117.3 Ų117.364%0.64163%0.633SS**Hα-helixtrans-82.5-24179.2-65.7167.4000112.3L496 S497 Q498 F502 S503L496-I500 VanDerWaalsContact O-CG1 3.31Å; L496-I500 WeakPolarHBondContact O-CG1 2.97Å; L496-I500 PolarHBondContact O-N 3.2Å; S497-I500 PolarHBondContact O-N 3.04Å; Q498-I500 VanDerWaalsContact C-N 3.3Å; Q498-I500 PolarHBondContact O-N 2.77Å; I500-F502 PolarHBondContact O-N 3.39Å; I500-S503 PolarHBondContact O-N 3.48Å
501L35.1Very low41.5Very low134 Ų134120 Ų12070%0.70264%0.643SS**THydrogen-bonded Turntrans-68.3-4.5178.5-105.4149.8000114.8S497 Q498S497-L501 WeakPolarHBondContact O-CB 3.48Å; S497-L501 PolarHBondContact O-N 2.83Å; Q498-L501 PolarHBondContact O-N 3.34Å
502F31.3Very low42.2Very low195 Ų195117.1 Ų117.186%0.85563%0.631SS**THydrogen-bonded Turntrans-92.11173-112.4-87.7000115I500I500-F502 PolarHBondContact O-N 3.39Å
503S31.3Very low42.7Very low107 Ų107118.1 Ų118.175%0.74864%0.64SS**SBendtrans-117.397.5171.5-71.60000110.5I500I500-S503 PolarHBondContact O-N 3.48Å
504Q29.6Very low43.7Very low189 Ų189118.4 Ų118.488%0.88364%0.639SS**  trans-75.7136.4179-157.9157.23.200110.3
505S30.4Very low44.9Very low99 Ų99120 Ų12069%0.69264%0.639SS**SBendtrans8387.217176.40000118.6
506N39.9Very low46.5Very low154 Ų154123 Ų12382%0.82464%0.641SS**  164.4115.5112.9-80.5-28000108.3E508N506-E508 PolarHBondContact O-N 2.94Å
507H36.6Very low48Very low194 Ų194123.7 Ų123.790%0.89865%0.645SS**  trans-66.884.3-174.3-87.7-85.9000112.3
508E38.7Very low49.7Very low136 Ų136125.8 Ų125.864%0.63665%0.646SS**  trans-90.5104.8154.8-98.9175.1157.500107.7N506 K516N506-E508 PolarHBondContact O-N 2.94Å; E508-K516 IonicContact OE1-NZ 2.89Å
509T51.9Low51.7Low86 Ų86125.7 Ų125.753%0.52864%0.644SS.*  trans-66.2144.5-179.854.30000110.7N511 D512T509-N511 PolarHBondContact O-N 3.38Å; T509-D512 PolarHBondContact O-N 2.82Å
510N48.7Very low53.7Low148 Ų148124 Ų12479%0.79164%0.635SS**Hα-helixtrans-46.2-24.6175.2-81.1-22.3000114.9D512 L514N510-D512 VanDerWaalsContact C-N 3.34Å; N510-L514 PolarHBondContact O-N 3.48Å; N510-L514 VanDerWaalsContact O-N 3.15Å
511N59.8Low56Low113 Ų113124.7 Ų124.760%0.60463%0.634SS**Hα-helixtrans-66.6-33.8176.9-127.118.7000112.9T509 L514 E515T509-N511 PolarHBondContact O-N 3.38Å; N511-L514 PolarHBondContact O-N 3.35Å; N511-E515 PolarHBondContact O-N 3.02Å
512D65.8Low58.3Low70 Ų70123.3 Ų123.337%0.37463%0.627SS.*Hα-helixtrans-73-38.6-179.3-156.660.4000111.1T509 N510 L514 E515 K516T509-D512 PolarHBondContact O-N 2.82Å; N510-D512 VanDerWaalsContact C-N 3.34Å; D512-L514 VanDerWaalsContact C-N 3.34Å; D512-L514 PolarHBondContact O-N 2.97Å; D512-E515 PolarHBondContact O-N 3.42Å; D512-K516 WeakPolarHBondContact O-CG 3.33Å; D512-K516 PolarHBondContact O-N 3.26Å; D512-K516 VanDerWaalsContact OD2-CE 3.29Å; D512-K516 WeakPolarHBondContact OD2-CE 3.26Å; D512-K516 IonicContact OD2-NZ 2.59Å; D512-K516 PolarHBondContact OD2-NZ 2.95Å
513V61.9Low60.6Low85 Ų85118.2 Ų118.252%0.51561%0.609SS.*Hα-helixtrans-62.9-42.1172.5-178.10000110.9K516 L517V513-K516 PolarHBondContact O-N 3.16Å; V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.42Å
514L70.1Confident62.8Low90 Ų90118.3 Ų118.347%0.47160%0.6SS.*Hα-helixtrans-65.6-39.4179.3-172.964.9000112.3N510 N511 D512 L517 K518N510-L514 PolarHBondContact O-N 3.48Å; N510-L514 VanDerWaalsContact O-N 3.15Å; N511-L514 PolarHBondContact O-N 3.35Å; D512-L514 VanDerWaalsContact C-N 3.34Å; D512-L514 PolarHBondContact O-N 2.97Å; L514-L517 PolarHBondContact O-N 3.41Å; L514-K518 PolarHBondContact O-N 3.39Å
515E74.5Confident65Low96 Ų96114.8 Ų114.845%0.44958%0.583SS.*Hα-helixtrans-69.7-39.4175.6-76.5-58.8133.400112N511 D512 L517 K518 F519N511-E515 PolarHBondContact O-N 3.02Å; D512-E515 PolarHBondContact O-N 3.42Å; E515-L517 VanDerWaalsContact C-N 3.28Å; E515-L517 PolarHBondContact O-N 2.96Å; E515-K518 PolarHBondContact O-N 3.36Å; E515-K518 IonicContact OE1-NZ 2.73Å; E515-K518 PolarHBondContact OE1-NZ 2.93Å; E515-F519 WeakPolarHBondContact O-CB 3.5Å; E515-F519 PolarHBondContact O-N 3.19Å
516K78.1Confident67Low120 Ų120113.2 Ų113.252%0.52257%0.572SS.*Hα-helixtrans-60.7-38.2171.6-71.9-179.4-172.4177.50112E508 D512 V513 F519 L520E508-K516 IonicContact OE1-NZ 2.89Å; D512-K516 WeakPolarHBondContact O-CG 3.33Å; D512-K516 PolarHBondContact O-N 3.26Å; D512-K516 VanDerWaalsContact OD2-CE 3.29Å; D512-K516 WeakPolarHBondContact OD2-CE 3.26Å; D512-K516 IonicContact OD2-NZ 2.59Å; D512-K516 PolarHBondContact OD2-NZ 2.95Å; V513-K516 PolarHBondContact O-N 3.16Å; K516-F519 PolarHBondContact O-N 3.49Å; K516-L520 PolarHBondContact O-N 2.95Å
517L72.3Confident67.7Low113 Ų113112.1 Ų112.159%0.59256%0.562SS**Hα-helixtrans-69-40.3177.5-148.696.1000112.3V513 L514 E515 F519 L520 K521V513-L517 WeakPolarHBondContact O-CB 3.36Å; V513-L517 PolarHBondContact O-N 3.42Å; L514-L517 PolarHBondContact O-N 3.41Å; E515-L517 VanDerWaalsContact C-N 3.28Å; E515-L517 PolarHBondContact O-N 2.96Å; L517-F519 VanDerWaalsContact C-N 3.35Å; L517-L520 PolarHBondContact O-N 2.9Å; L517-K521 PolarHBondContact O-N 3.24Å
518K78.4Confident68.3Low105 Ų105108.9 Ų108.946%0.45755%0.547SS..Hα-helixtrans-62.5-42.5171.8-81.7-177.1-170.9162.50111.7L514 E515 L520 K521 N522L514-K518 PolarHBondContact O-N 3.39Å; E515-K518 PolarHBondContact O-N 3.36Å; E515-K518 IonicContact OE1-NZ 2.73Å; E515-K518 PolarHBondContact OE1-NZ 2.93Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.41Å; K518-K521 PolarHBondContact O-N 3.4Å; K518-N522 PolarHBondContact O-N 2.96Å
519F79.1Confident69.3Low145 Ų145107.8 Ų107.864%0.63654%0.542SS*.Hα-helixtrans-61.3-43.2178.1-163.5-91.3000111E515 K516 L517 N522 N523E515-F519 WeakPolarHBondContact O-CB 3.5Å; E515-F519 PolarHBondContact O-N 3.19Å; K516-F519 PolarHBondContact O-N 3.49Å; L517-F519 VanDerWaalsContact C-N 3.35Å; F519-N522 PolarHBondContact O-N 2.9Å; F519-N523 WeakPolarHBondContact O-CB 3.49Å; F519-N523 PolarHBondContact O-N 2.75Å
520L78.9Confident69.1Low100 Ų100107.8 Ų107.852%0.52454%0.544SS..Hα-helixtrans-62.7-45.8175.4-174.366.1000112.1K516 L517 K518 N522 N523 I524K516-L520 PolarHBondContact O-N 2.95Å; L517-L520 PolarHBondContact O-N 2.9Å; K518-L520 VanDerWaalsContact C-N 3.31Å; K518-L520 PolarHBondContact O-N 3.41Å; L520-N522 VanDerWaalsContact C-N 3.35Å; L520-N522 PolarHBondContact O-N 2.62Å; L520-N523 PolarHBondContact O-N 2.97Å; L520-I524 HydrophobicContact CD1-CD1 4.46Å; L520-I524 HydrophobicContact CG-CD1 4.09Å; L520-I524 WeakPolarHBondContact O-CG1 3.3Å; L520-I524 PolarHBondContact O-N 3.3Å
521K84.7Confident69Low139 Ų139105.3 Ų105.360%0.60453%0.53SS*.Hα-helixtrans-58.8-45.4176.6-176.4-175.2174.7-175.10111.8L517 K518 N523 I524 Q525L517-K521 PolarHBondContact O-N 3.24Å; K518-K521 PolarHBondContact O-N 3.4Å; K521-N523 VanDerWaalsContact C-N 3.33Å; K521-N523 PolarHBondContact O-N 3.35Å; K521-I524 PolarHBondContact O-N 2.95Å; K521-Q525 WeakPolarHBondContact O-CB 3.44Å; K521-Q525 PolarHBondContact O-N 2.89Å
522N81.5Confident68.5Low105 Ų105103.1 Ų103.156%0.56152%0.521SS*.Hα-helixtrans-65.3-37178.2-73.6-11.7000111.9K518 F519 L520 Q525 S526K518-N522 PolarHBondContact O-N 2.96Å; F519-N522 PolarHBondContact O-N 2.9Å; L520-N522 VanDerWaalsContact C-N 3.35Å; L520-N522 PolarHBondContact O-N 2.62Å; N522-Q525 PolarHBondContact O-N 3.36Å; N522-S526 WeakPolarHBondContact O-CB 3.5Å; N522-S526 PolarHBondContact O-N 3.39Å
523N81.1Confident67.8Low88 Ų88107 Ų10747%0.47154%0.535SS..Hα-helixtrans-64.9-43.3175.7-117-21.4000111.9F519 L520 K521 S526 H527F519-N523 WeakPolarHBondContact O-CB 3.49Å; F519-N523 PolarHBondContact O-N 2.75Å; L520-N523 PolarHBondContact O-N 2.97Å; K521-N523 VanDerWaalsContact C-N 3.33Å; K521-N523 PolarHBondContact O-N 3.35Å; N523-S526 PolarHBondContact O-N 2.91Å; N523-H527 WeakPolarHBondContact O-CB 3.1Å; N523-H527 PolarHBondContact O-N 3.42Å
524I76.8Confident66.8Low109 Ų109108.5 Ų108.556%0.55954%0.539SS*.Hα-helixtrans-63.7-43.3177.2-66.3166.2000110.7L520 K521 H527 H528L520-I524 HydrophobicContact CD1-CD1 4.46Å; L520-I524 HydrophobicContact CG-CD1 4.09Å; L520-I524 WeakPolarHBondContact O-CG1 3.3Å; L520-I524 PolarHBondContact O-N 3.3Å; K521-I524 PolarHBondContact O-N 2.95Å; I524-H527 PolarHBondContact O-N 3.31Å; I524-H528 WeakPolarHBondContact O-CB 3.47Å; I524-H528 PolarHBondContact O-N 2.91Å
525Q75.8Confident65.4Low116 Ų116110.4 Ų110.454%0.54255%0.55SS.*Hα-helixtrans-65.6-42.5179.6-171.5161.6-8.700112K521 N522 H527 H528 E529K521-Q525 WeakPolarHBondContact O-CB 3.44Å; K521-Q525 PolarHBondContact O-N 2.89Å; N522-Q525 PolarHBondContact O-N 3.36Å; Q525-H527 PolarHBondContact O-N 3.01Å; Q525-H528 PolarHBondContact O-N 3.49Å; Q525-E529 PolarHBondContact O-N 2.84Å
526S72.2Confident63.6Low66 Ų66112.5 Ų112.546%0.46256%0.563SS.*Hα-helixtrans-60.8-43.4173.5-178.80000111.9N522 N523 H528 E529 C530N522-S526 WeakPolarHBondContact O-CB 3.5Å; N522-S526 PolarHBondContact O-N 3.39Å; N523-S526 PolarHBondContact O-N 2.91Å; S526-H528 VanDerWaalsContact C-N 3.3Å; S526-H528 PolarHBondContact O-N 2.89Å; S526-E529 PolarHBondContact O-N 3.31Å; S526-C530 PolarHBondContact O-N 2.91Å
527H54.4Low61.6Low131 Ų131115 Ų11561%0.60658%0.577SS**Hα-helixtrans-66.1-33.7179.5-144.3-56.7000112.4N523 I524 Q525 I531N523-H527 WeakPolarHBondContact O-CB 3.1Å; N523-H527 PolarHBondContact O-N 3.42Å; I524-H527 PolarHBondContact O-N 3.31Å; Q525-H527 PolarHBondContact O-N 3.01Å; H527-I531 WeakPolarHBondContact O-CG1 3.5Å; H527-I531 PolarHBondContact O-N 3.2Å
528H49.6Very low59.8Low125 Ų125118.7 Ų118.758%0.57959%0.588SS**Hα-helixtrans-73-34.2175.7-166.4-82.7000112.5I524 Q525 S526 I531 T532I524-H528 WeakPolarHBondContact O-CB 3.47Å; I524-H528 PolarHBondContact O-N 2.91Å; Q525-H528 PolarHBondContact O-N 3.49Å; S526-H528 VanDerWaalsContact C-N 3.3Å; S526-H528 PolarHBondContact O-N 2.89Å; H528-I531 PolarHBondContact O-N 3.5Å; H528-T532 PolarHBondContact O-N 2.9Å; H528-T532 VanDerWaalsContact O-N 3.15Å; H528-T532 PolarHBondContact O-OG1 3.43Å
529E60Low57.4Low113 Ų113119.8 Ų119.853%0.52860%0.603SS.*Hα-helixtrans-67.5-35.6173.2-124.9178.3164.800112.2Q525 S526 T532 K533Q525-E529 PolarHBondContact O-N 2.84Å; S526-E529 PolarHBondContact O-N 3.31Å; E529-T532 WeakPolarHBondContact CA-OG1 3.43Å; E529-T532 PolarHBondContact O-OG1 3.13Å; E529-K533 PolarHBondContact O-N 2.8Å
530C47.2Very low55.2Low87 Ų87118.5 Ų118.559%0.58861%0.607SS**Hα-helixtrans-65.8-37.1173.6-102.80000113S526S526-C530 PolarHBondContact O-N 2.91Å
531I46.6Very low52.9Low95 Ų95120.3 Ų120.349%0.48762%0.617SS.*Hα-helixtrans-70-42.9178.8-66.4165000110.3H527 H528 K533 N534H527-I531 WeakPolarHBondContact O-CG1 3.5Å; H527-I531 PolarHBondContact O-N 3.2Å; H528-I531 PolarHBondContact O-N 3.5Å; I531-K533 PolarHBondContact O-N 3.41Å; I531-N534 PolarHBondContact O-N 3.25Å
532T50.6Low50.2Low68 Ų68122.5 Ų122.542%0.41763%0.632SS.*Hα-helixtrans-72-26.1-17740.60000114.2H528 E529H528-T532 PolarHBondContact O-N 2.9Å; H528-T532 VanDerWaalsContact O-N 3.15Å; H528-T532 PolarHBondContact O-OG1 3.43Å; E529-T532 WeakPolarHBondContact CA-OG1 3.43Å; E529-T532 PolarHBondContact O-OG1 3.13Å
533K49.1Very low47.7Very low152 Ų152122.5 Ų122.566%0.66164%0.641SS**Hα-helixtrans-81.1-21.7175.2-77.9-177.9178.7171.30114.4E529 I531E529-K533 PolarHBondContact O-N 2.8Å; I531-K533 PolarHBondContact O-N 3.41Å
534N41.5Very low45Very low115 Ų115126.1 Ų126.162%0.61566%0.659SS**Hα-helixtrans-83-24.4-176.3-146.7-10.1000113.2I531I531-N534 PolarHBondContact O-N 3.25Å
535D40.1Very low42.8Very low130 Ų130126.2 Ų126.270%0.69567%0.669SS**THydrogen-bonded Turntrans-85.7-3.5-177.7-79.6-21.8000114.8
536I38Very low40.2Very low141 Ų141126.9 Ų126.972%0.72368%0.681SS**THydrogen-bonded Turntrans-95.2-12.7-177.2-63.5175.7000113.2
537Q36.1Very low38.1Very low173 Ų173129 Ų12981%0.80869%0.694SS**SBendtrans-107.9-3-172.4-95.3177-20.100117.1
538K34.3Very low36.6Very low190 Ų190128.9 Ų128.983%0.82670%0.701SS**SBendtrans-10812.7-175.3-87.2-174.2177.2178.10117.4
539T28.3Very low35.6Very low127 Ų127127.9 Ų127.978%0.77971%0.708SS**  trans-121.963.4177.1330000112
540V31.5Very low33.8Very low119 Ų119129.9 Ų129.972%0.72172%0.723SS**SBendtrans-130.5112.7163.1179.30000109.3
541N30.7Very low33Very low137 Ų137131.9 Ų131.973%0.73373%0.733SS**  trans63.884.2152.4-56.4-14.6000119.2
542M28Very low31.9Very low185 Ų185138.2 Ų138.291%0.91175%0.75SS**  trans-115.181145.1-80-162.3-177.400109.7
543S29Very low31Very low106 Ų106143.2 Ų143.274%0.74177%0.774SS**  trans-98.994.2168.8-57.90000108.3
544L25.4Very low29.7Very low163 Ų163140.6 Ų140.685%0.85377%0.774SS**  trans-97.791.3174.3-91.4154.5000109.5
545S29.2Very low29.1Very low111 Ų111140.2 Ų140.278%0.77678%0.781SS**PPolyproline II helixtrans-80.8120.6169.336.50000110.8
546V22.5Very low28.5Very low130 Ų130143 Ų14379%0.78879%0.79SS**PPolyproline II helixtrans-73.8124.3179.8176.70000110.7
547P28.8Very low28.1Very low112 Ų112144 Ų14473%0.72780%0.795SS**PPolyproline II helixtrans-84.2117.5177.98.46.4000111.5S549P547-S549 PolarHBondContact O-N 2.99Å
548V22.8Very low27.9Very low127 Ų127140.8 Ų140.877%0.7779%0.791SS**  trans-80.2102.3167.7178.50000108.5
549S28.2Very low27.6Very low104 Ų104139.5 Ų139.573%0.72779%0.793SS**  trans-106.695.1169.9-68.80000110.5P547 T551P547-S549 PolarHBondContact O-N 2.99Å; S549-T551 PolarHBondContact O-N 2.89Å
550N22.6Very low27.8Very low155 Ų155138.7 Ų138.783%0.82979%0.793SS**  trans-71.6103.6164.4-84.4-20.2000109.4
551T30.7Very low27.9Very low130 Ų130138.8 Ų138.880%0.79879%0.794SS**  trans-128.8104.4160.933.10000110.6S549S549-T551 PolarHBondContact O-N 2.89Å
552R22.5Very low27.9Very low227 Ų227141.4 Ų141.486%0.85780%0.802SS**  trans-77.6110.5174.2-176.2-176-154.6-1213.8108.4
553L31Very low28.2Very low174 Ų174137.7 Ų137.791%0.91179%0.789SS**  trans-125123.7161.1-74.9175.2000109.1
554S23Very low28.5Very low96 Ų96141.2 Ų141.267%0.67179%0.794SS**  trans-106.7126.8179.2-53.80000108.2
555S28.3Very low28.9Very low107 Ų107140.8 Ų140.875%0.74879%0.792SS**  trans173.7101.415056.60000107.7
556E27Very low29.2Very low189 Ų189142.7 Ų142.788%0.88379%0.793SS**  81.483.387.4-167.2167.8-145.900112.6
557I30.5Very low29.8Very low163 Ų163140 Ų14084%0.83679%0.785SS**  trans-143105.8149.9-59.1-176.2000108.8
558S31.8Very low29.9Very low105 Ų105146.6 Ų146.673%0.73480%0.795SS**  trans39.9105.1146.7-58.20000121.4S560S558-S560 PolarHBondContact O-N 2.85Å
559D27.1Very low30.3Very low162 Ų162148.5 Ų148.587%0.86680%0.796SS**  trans-28.5110143.4-111.9-23.9000112.8
560S33.1Very low30.6Very low111 Ų111151.2 Ų151.278%0.77680%0.802SS**  trans-122.8104.3155.3-71.50000106.3S558 E562S558-S560 PolarHBondContact O-N 2.85Å; S560-E562 PolarHBondContact O-N 3.27Å; S560-E562 VanDerWaalsContact O-N 3.17Å
561T33.9Very low31.4Very low120 Ų120150.4 Ų150.474%0.73680%0.798SS**  trans-40.8112.9176.5460000111.6V563T561-V563 PolarHBondContact O-N 2.83Å; T561-V563 VanDerWaalsContact O-N 3.12Å
562E29.4Very low31.7Very low193 Ų193151.4 Ų151.490%0.90280%0.798SS**  trans-62.9104163.4-169172-170.800107.3S560 E564S560-E562 PolarHBondContact O-N 3.27Å; S560-E562 VanDerWaalsContact O-N 3.17Å; E562-E564 PolarHBondContact O-N 3.3Å
563V36.3Very low32Very low106 Ų106150.1 Ų150.164%0.64280%0.799SS**  trans-86102173.9176.80000106.5T561 L565T561-V563 PolarHBondContact O-N 2.83Å; T561-V563 VanDerWaalsContact O-N 3.12Å; V563-L565 HydrophobicContact CG1-CG 4.34Å; V563-L565 PolarHBondContact O-N 2.88Å
564E35.3Very low32.2Very low181 Ų181147.4 Ų147.485%0.84679%0.792SS**  trans-57.497168.9-161.8173-156.200108.8E562 D566E562-E564 PolarHBondContact O-N 3.3Å; E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 3.48Å
565L31.8Very low32.6Very low154 Ų154151.8 Ų151.881%0.80680%0.802SS**  trans-87.574173.4-80.1170.8000109.1V563 A567V563-L565 HydrophobicContact CG1-CG 4.34Å; V563-L565 PolarHBondContact O-N 2.88Å; L565-A567 PolarHBondContact O-N 3.08Å
566D35.8Very low32.7Very low151 Ų151154.9 Ų154.981%0.80781%0.809SS**  trans-81.287.9165.6-165.924.7000108.7E564E564-D566 VanDerWaalsContact C-N 3.29Å; E564-D566 PolarHBondContact O-N 3.48Å
567A35.4Very low32.8Very low73 Ų73151.6 Ų151.660%0.60380%0.797SS**  trans-158.862.7174.500000111.7L565L565-A567 PolarHBondContact O-N 3.08Å
568W30.4Very low32.6Very low250 Ų250149.4 Ų149.495%0.94780%0.796SS**  trans-104.175.4149.7-71.673.5000106.4D570W568-D570 PolarHBondContact O-N 3.31Å
569Q31.6Very low32.4Very low168 Ų168150.5 Ų150.579%0.78579%0.794SS**  trans-69.4121.8165.9-81.3-175.7-6.400107.7D571Q569-D571 PolarHBondContact O-N 3.26Å
570D35.8Very low32.3Very low160 Ų160147.4 Ų147.486%0.85679%0.791SS**  trans-59.297.3166.4-76.3-42.6000109W568 D572W568-D570 PolarHBondContact O-N 3.31Å; D570-D572 PolarHBondContact O-N 3.19Å
571D38.7Very low32.3Very low139 Ų139147.5 Ų147.574%0.74379%0.792SS**  trans-69.497.2171.8-84.2-36.5000109.8Q569 F573Q569-D571 PolarHBondContact O-N 3.26Å; D571-F573 PolarHBondContact O-N 2.87Å
572D37.2Very low31.9Very low150 Ų150150.3 Ų150.380%0.80280%0.797SS**  trans23.185.3142.8-68.6-34000117.1D570 P574D570-D572 PolarHBondContact O-N 3.19Å; D572-P574 WeakPolarHBondContact O-CD 3.43Å
573F28.7Very low31.9Very low201 Ų201150.8 Ų150.888%0.88280%0.799SS**  trans-69.4121.3158.4-105.6-92.2000109.6D571 E575D571-F573 PolarHBondContact O-N 2.87Å; F573-E575 PolarHBondContact O-N 2.84Å; F573-E575 VanDerWaalsContact O-N 3.1Å
574P35.6Very low31.6Very low116 Ų116151.7 Ų151.775%0.75381%0.805SS**  trans-73.4107.9-174.4-11.626.3000111.6D572 L576D572-P574 WeakPolarHBondContact O-CD 3.43Å; P574-L576 PolarHBondContact O-N 3.3Å; P574-L576 VanDerWaalsContact O-N 3.16Å
575E30.4Very low31.1Very low189 Ų189151.5 Ų151.588%0.88380%0.801SS**  trans-69.8101.7164.9-69-172163.400110F573 N577F573-E575 PolarHBondContact O-N 2.84Å; F573-E575 VanDerWaalsContact O-N 3.1Å; E575-N577 PolarHBondContact O-N 2.93Å; E575-N577 VanDerWaalsContact O-N 3.13Å
576L30.5Very low30.8Very low172 Ų172149.4 Ų149.490%0.90180%0.798SS**  trans-79.694.2166.3-77174.6000109.9P574P574-L576 PolarHBondContact O-N 3.3Å; P574-L576 VanDerWaalsContact O-N 3.16Å
577N29.2Very low30.3Very low119 Ų119150.7 Ų150.764%0.63680%0.799SS**  trans-59.6124.5172-165.9-2.8000111.8E575 N579E575-N577 PolarHBondContact O-N 2.93Å; E575-N577 VanDerWaalsContact O-N 3.13Å; N577-N579 PolarHBondContact ND2-ND2 3.02Å; N577-N579 PolarHBondContact O-N 3.11Å
578S27.5Very low29.8Very low117 Ų117150.6 Ų150.682%0.81881%0.806SS**  trans-7582.5173.444.40000110.7
579N26.9Very low29.7Very low128 Ų128148.4 Ų148.468%0.68481%0.806SS**  trans-97.4119.3172.4-78.5-46.7000112.2N577N577-N579 PolarHBondContact ND2-ND2 3.02Å; N577-N579 PolarHBondContact O-N 3.11Å
580A24Very low29.3Very low98 Ų98147.9 Ų147.981%0.8181%0.808SS**  trans-52.1137171.900000113.2
581S33.4Very low29Very low112 Ų112147.4 Ų147.478%0.78380%0.804SS**  trans-149.8115.1159.2-79.40000110.4
582E26.7Very low28.5Very low179 Ų179145.9 Ų145.984%0.83680%0.8SS**  trans63.772.2141.2-60.3-174.6155.600118.8T584E582-T584 PolarHBondContact O-N 3.28Å
583E27.9Very low28.1Very low204 Ų204145 Ų14595%0.95380%0.795SS**  trans-68.6109.4153.2-71.4179.8153.500110.4
584T30.9Very low28.1Very low124 Ų124141.7 Ų141.776%0.76179%0.787SS**  trans-127.4109.1169.929.30000111.7E582E582-T584 PolarHBondContact O-N 3.28Å
585K23.8Very low27.7Very low178 Ų178143.5 Ų143.577%0.77479%0.789SS**  71.2103.1125.2-159.7175.2-175178.20119.1
586C25.7Very low27.6Very low109 Ų109140.3 Ų140.374%0.73678%0.784SS**  trans15690130.9-81.60000107.4
587Q25.4Very low27.4Very low178 Ų178138.7 Ų138.783%0.83278%0.777SS**  41.4115.884.2-67.3171.5-51.800111.4
588G25.9Very low27.2Very low72 Ų72137.8 Ų137.874%0.74278%0.778SS**  cis137.9109.815.600000106.1
589E28.3Very low27.1Very low203 Ų203139.4 Ų139.495%0.94978%0.778SS**  trans-165120.6160.7-115167.9-166.700110.7
590L23.3Very low27.2Very low158 Ų158141.7 Ų141.783%0.82778%0.784SS**  trans-69.7148.8166-123.799.4000109.3
591L29.8Very low27.4Very low150 Ų150144.2 Ų144.279%0.78578%0.784SS**  161.5112.4129.1-85.1164.5000112.4
592T27.1Very low27.1Very low106 Ų106143.7 Ų143.765%0.6578%0.778SS**  trans22.3135.1130.551.10000122.2
593D30Very low27Very low132 Ų132143.3 Ų143.371%0.70678%0.776SS**  trans95.6102.8135.1-73.5-35.1000121.8
594N28.1Very low27.2Very low132 Ų132140.4 Ų140.471%0.70677%0.768SS**  49.5105.7119.1-70.9-54.2000120.4
595I26.3Very low27.3Very low153 Ų153143.3 Ų143.379%0.78577%0.772SS**  trans40.4118.3138.4-53.1173.3000117.7
596P28.7Very low27.5Very low122 Ų122142.6 Ų142.679%0.79278%0.776SS**  -143.7119.3103.132.1-12.9000115.9
597N27.1Very low28.1Very low139 Ų139142.6 Ų142.674%0.74378%0.775SS**  34.4135.3124.3-151.723.5000122.4
598C25.3Very low28.9Very low99 Ų99140 Ų14067%0.66978%0.776SS**  trans80105.2150.5-78.10000121.2
599N25.4Very low30Very low151 Ų151140.4 Ų140.481%0.80777%0.768SS**  88.9149.4115.9-130.212.7000120.5
600E28.7Very low31.2Very low176 Ų176136.1 Ų136.182%0.82276%0.757SS**  trans83131.7175.2-53.5-172178.200114.9
601N27.2Very low32.9Very low151 Ų151135.5 Ų135.581%0.80775%0.75SS**  cis-166.6155.51-150.711.7000105.8
602P27.6Very low34.4Very low101 Ų101132.2 Ų132.266%0.65674%0.74SS**  trans-88.5154.2-179.335.3-26.9000111.7
603Q25.1Very low36.5Very low171 Ų171132.9 Ų132.980%0.79974%0.739SS**  trans153.9150.4145.3-75.2-99.4-70.800109.1
604D31.4Very low39Very low144 Ų144133.3 Ų133.377%0.7773%0.734SS**  trans78.9127.8174.4-52.3-26.3000114.5
605E33Very low41.5Very low184 Ų184133 Ų13386%0.8673%0.729SS**  cis-165.5140.718.5-114172.8-176.400108.3
606L28.2Very low44.3Very low164 Ų164132.2 Ų132.286%0.85972%0.719SS**  trans-72.8154.2148.9-102.491.3000107.4
607P38.3Very low47Very low109 Ų109130.3 Ų130.371%0.70870%0.702SS**  cis-146.6162.830.738-17.5000116.3
608S42.6Very low49.9Very low123 Ų123129.1 Ų129.186%0.8669%0.692SS**  trans-165.994.9150.5-86.50000114.1
609S47.6Very low52.7Low80 Ų80129.4 Ų129.456%0.55968%0.683SS**  trans43.7131.7148.492.50000123.2H611S609-H611 PolarHBondContact O-N 2.87Å; S609-H611 VanDerWaalsContact O-N 3.08Å
610P54.1Low55.7Low113 Ų113127.1 Ų127.173%0.73467%0.67SS**THydrogen-bonded Turntrans-69.11.3175.827.3-33.3000115.6L613 K614P610-L613 PolarHBondContact O-N 2.97Å; P610-K614 PolarHBondContact O-N 3.46Å
611H59.2Low58.7Low145 Ų145124 Ų12467%0.67166%0.656SS**Hα-helixtrans-67.1-38.9179.3-101-46.3000113.2S609 L613 K614 E615S609-H611 PolarHBondContact O-N 2.87Å; S609-H611 VanDerWaalsContact O-N 3.08Å; H611-L613 VanDerWaalsContact C-N 3.26Å; H611-L613 PolarHBondContact O-N 3.17Å; H611-K614 PolarHBondContact O-N 3.32Å; H611-E615 PolarHBondContact O-N 3.29Å
612S60.5Low61.7Low81 Ų81122.3 Ų122.357%0.56664%0.643SS**Hα-helixtrans-62.9-35178.8179.50000112.3K616S612-K616 PolarHBondContact O-N 2.91Å; S612-K616 VanDerWaalsContact O-N 3.09Å
613L71.4Confident64.6Low120 Ų120123.1 Ų123.163%0.62864%0.64SS**Hα-helixtrans-74.3-36.4179.9-142.8150.7000111.2P610 H611 K616 I617P610-L613 PolarHBondContact O-N 2.97Å; H611-L613 VanDerWaalsContact C-N 3.26Å; H611-L613 PolarHBondContact O-N 3.17Å; L613-K616 PolarHBondContact O-N 3.46Å; L613-I617 HydrophobicContact CD2-CD1 3.75Å; L613-I617 HydrophobicContact CD2-CG1 4.31Å; L613-I617 WeakPolarHBondContact O-CG1 3.31Å; L613-I617 PolarHBondContact O-N 3.06Å
614K83.2Confident67.6Low141 Ų141121 Ų12161%0.61363%0.633SS**Hα-helixtrans-64.7-39.4174-165.2178-177.1-175.20112.1P610 H611 I617 Q618P610-K614 PolarHBondContact O-N 3.46Å; H611-K614 PolarHBondContact O-N 3.32Å; K614-I617 PolarHBondContact O-N 3.41Å; K614-Q618 WeakPolarHBondContact O-CB 3.48Å; K614-Q618 PolarHBondContact O-N 3.05Å
615E81.5Confident70.5Confident127 Ų127117.1 Ų117.159%0.59362%0.617SS**Hα-helixtrans-66-40175.7-169.8175.8-164.300111.9H611 I617 Q618 Q619H611-E615 PolarHBondContact O-N 3.29Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.12Å; E615-Q618 PolarHBondContact O-N 3Å; E615-Q619 PolarHBondContact O-N 3.25Å
616K83.2Confident73.2Confident135 Ų135112.7 Ų112.759%0.58760%0.6SS**Hα-helixtrans-62.5-40.9175.1-144.782.5175.51800112.2S612 L613 L620S612-K616 PolarHBondContact O-N 2.91Å; S612-K616 VanDerWaalsContact O-N 3.09Å; L613-K616 PolarHBondContact O-N 3.46Å; K616-L620 WeakPolarHBondContact O-CG 3.47Å; K616-L620 PolarHBondContact O-N 3.09Å; K616-L620 VanDerWaalsContact O-N 3.13Å
617I86.5Confident76.1Confident83 Ų83110.2 Ų110.243%0.42659%0.587SS.*Hα-helixtrans-66.8-43.9176.4-68.1167.8000110.3L613 K614 E615 Q619 L620 E621L613-I617 HydrophobicContact CD2-CD1 3.75Å; L613-I617 HydrophobicContact CD2-CG1 4.31Å; L613-I617 WeakPolarHBondContact O-CG1 3.31Å; L613-I617 PolarHBondContact O-N 3.06Å; K614-I617 PolarHBondContact O-N 3.41Å; E615-I617 VanDerWaalsContact C-N 3.35Å; E615-I617 PolarHBondContact O-N 3.12Å; I617-Q619 VanDerWaalsContact C-N 3.34Å; I617-Q619 PolarHBondContact O-N 3.45Å; I617-L620 PolarHBondContact O-N 3.41Å; I617-L620 VanDerWaalsContact O-N 3.14Å; I617-E621 HydrophobicContact CG2-CG 4.43Å; I617-E621 WeakPolarHBondContact O-CG 3.41Å; I617-E621 PolarHBondContact O-N 2.97Å
618Q87Confident78.6Confident113 Ų113108.9 Ų108.953%0.52858%0.58SS.*Hα-helixtrans-59.1-43.5177.1-16976.255.900112K614 E615 L620 E621 E622K614-Q618 WeakPolarHBondContact O-CB 3.48Å; K614-Q618 PolarHBondContact O-N 3.05Å; E615-Q618 PolarHBondContact O-N 3Å; Q618-L620 VanDerWaalsContact C-N 3.35Å; Q618-L620 PolarHBondContact O-N 3.47Å; Q618-E621 PolarHBondContact O-N 2.83Å; Q618-E622 PolarHBondContact O-N 3.06Å
619Q86.1Confident81Confident106 Ų106107.2 Ų107.250%0.49556%0.561SS.*Hα-helixtrans-62.3-40.5174.8-98.3-179.98.300112.5E615 I617 E622 M623E615-Q619 PolarHBondContact O-N 3.25Å; I617-Q619 VanDerWaalsContact C-N 3.34Å; I617-Q619 PolarHBondContact O-N 3.45Å; Q619-E622 PolarHBondContact O-N 2.97Å; Q619-M623 WeakPolarHBondContact O-CB 3.35Å; Q619-M623 WeakPolarHBondContact O-CG 3.47Å; Q619-M623 PolarHBondContact O-N 2.67Å
620L87.9Confident83Confident102 Ų102106 Ų10653%0.53456%0.555SS.*Hα-helixtrans-67.3-38.9177.8-74.7170.8000112K616 I617 Q618 E622 M623 L624K616-L620 WeakPolarHBondContact O-CG 3.47Å; K616-L620 PolarHBondContact O-N 3.09Å; K616-L620 VanDerWaalsContact O-N 3.13Å; I617-L620 PolarHBondContact O-N 3.41Å; I617-L620 VanDerWaalsContact O-N 3.14Å; Q618-L620 VanDerWaalsContact C-N 3.35Å; Q618-L620 PolarHBondContact O-N 3.47Å; L620-E622 VanDerWaalsContact C-N 3.35Å; L620-M623 PolarHBondContact O-N 3.12Å; L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 PolarHBondContact O-N 2.96Å
621E90.9Very high84.5Confident111 Ų111105.4 Ų105.452%0.51955%0.546SS..Hα-helixtrans-63.5-40.8174.2-73176169.800111.5I617 Q618 L624 S625I617-E621 HydrophobicContact CG2-CG 4.43Å; I617-E621 WeakPolarHBondContact O-CG 3.41Å; I617-E621 PolarHBondContact O-N 2.97Å; Q618-E621 PolarHBondContact O-N 2.83Å; E621-L624 PolarHBondContact O-N 3.35Å; E621-S625 WeakPolarHBondContact O-CB 3.33Å; E621-S625 PolarHBondContact O-N 3.14Å
622E90.3Very high86.1Confident116 Ų116101 Ų10154%0.54254%0.535SS..Hα-helixtrans-66.3-42.9175.9-168.8174.6-171.600112Q618 Q619 L620 L624 S625 N626Q618-E622 PolarHBondContact O-N 3.06Å; Q619-E622 PolarHBondContact O-N 2.97Å; L620-E622 VanDerWaalsContact C-N 3.35Å; E622-L624 PolarHBondContact O-N 2.9Å; E622-S625 PolarHBondContact O-N 3.33Å; E622-N626 WeakPolarHBondContact O-CB 3.26Å; E622-N626 VanDerWaalsContact O-CG 3.23Å; E622-N626 PolarHBondContact O-N 3.27Å; E622-N626 PolarHBondContact O-ND2 3.24Å
623M87.9Confident87.6Confident118 Ų118102.1 Ų102.158%0.58154%0.535SS*.Hα-helixtrans-62.7-41174.5-75.9-17566.100112.6Q619 L620 N626 N627Q619-M623 WeakPolarHBondContact O-CB 3.35Å; Q619-M623 WeakPolarHBondContact O-CG 3.47Å; Q619-M623 PolarHBondContact O-N 2.67Å; L620-M623 PolarHBondContact O-N 3.12Å; M623-N626 PolarHBondContact O-N 2.96Å; M623-N627 WeakPolarHBondContact O-CB 3.5Å; M623-N627 PolarHBondContact O-N 3.41Å
624L89.3Confident88.6Confident126 Ų126103.3 Ų103.366%0.6653%0.531SS*.Hα-helixtrans-65-41.1175.5-94.9159.3000111.7L620 E621 E622 N627 S628L620-L624 WeakPolarHBondContact O-CB 3.26Å; L620-L624 PolarHBondContact O-N 2.96Å; E621-L624 PolarHBondContact O-N 3.35Å; E622-L624 PolarHBondContact O-N 2.9Å; L624-N627 PolarHBondContact O-N 3.02Å; L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.89Å
625S92Very high88.9Confident62 Ų62100.5 Ų100.543%0.43452%0.522SS..Hα-helixtrans-62.1-45.5174.8-172.90000111.5E621 E622 N627 S628 I629E621-S625 WeakPolarHBondContact O-CB 3.33Å; E621-S625 PolarHBondContact O-N 3.14Å; E622-S625 PolarHBondContact O-N 3.33Å; S625-N627 PolarHBondContact O-N 3Å; S625-S628 WeakPolarHBondContact O-CB 3.26Å; S625-S628 PolarHBondContact O-N 3.48Å; S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.38Å; S625-I629 PolarHBondContact O-N 3.48Å
626N89.8Confident89.3Confident92 Ų9296.9 Ų96.949%0.49251%0.514SS..Hα-helixtrans-64.5-41.4178.7-69.4-18.3000112.1E622 M623 S628 I629 A630E622-N626 WeakPolarHBondContact O-CB 3.26Å; E622-N626 VanDerWaalsContact O-CG 3.23Å; E622-N626 PolarHBondContact O-N 3.27Å; E622-N626 PolarHBondContact O-ND2 3.24Å; M623-N626 PolarHBondContact O-N 2.96Å; N626-S628 VanDerWaalsContact C-N 3.35Å; N626-I629 PolarHBondContact O-N 3.39Å; N626-A630 WeakPolarHBondContact O-CB 3.5Å; N626-A630 PolarHBondContact O-N 3.34Å
627N88.3Confident89.6Confident112 Ų11295.9 Ų95.960%0.59951%0.511SS*.Hα-helixtrans-64.9-37.7173.4-101.2-34.7000112.5M623 L624 S625 I629 A630 N631M623-N627 WeakPolarHBondContact O-CB 3.5Å; M623-N627 PolarHBondContact O-N 3.41Å; L624-N627 PolarHBondContact O-N 3.02Å; S625-N627 PolarHBondContact O-N 3Å; N627-I629 VanDerWaalsContact C-N 3.34Å; N627-A630 PolarHBondContact O-N 3.44Å; N627-N631 WeakPolarHBondContact O-CB 3.48Å; N627-N631 PolarHBondContact O-N 3.28Å
628S91.5Very high89.6Confident81 Ų8196.1 Ų96.157%0.56651%0.513SS*.Hα-helixtrans-63.3-40.5175.3-173.20000111.8L624 S625 N626 A632L624-S628 WeakPolarHBondContact O-CB 3.49Å; L624-S628 PolarHBondContact O-N 2.89Å; S625-S628 WeakPolarHBondContact O-CB 3.26Å; S625-S628 PolarHBondContact O-N 3.48Å; N626-S628 VanDerWaalsContact C-N 3.35Å; S628-A632 WeakPolarHBondContact O-CB 3.47Å; S628-A632 PolarHBondContact O-N 2.85Å
629I92.1Very high89.7Confident88 Ų8897 Ų9745%0.45152%0.517SS..Hα-helixtrans-68-44.8176.9-66.3161.3000110.6S625 N626 N627 N631 A632 N633S625-I629 VanDerWaalsContact O-CG1 3.32Å; S625-I629 WeakPolarHBondContact O-CG1 3.38Å; S625-I629 PolarHBondContact O-N 3.48Å; N626-I629 PolarHBondContact O-N 3.39Å; N627-I629 VanDerWaalsContact C-N 3.34Å; I629-N631 VanDerWaalsContact C-N 3.29Å; I629-N631 PolarHBondContact O-N 2.9Å; I629-A632 PolarHBondContact O-N 3.24Å; I629-N633 PolarHBondContact O-N 3.36Å
630A89.9Confident89.7Confident53 Ų5395.8 Ų95.844%0.43852%0.52SS..Hα-helixtrans-59.6-40.3176.600000111.9N626 N627 N633 R634N626-A630 WeakPolarHBondContact O-CB 3.5Å; N626-A630 PolarHBondContact O-N 3.34Å; N627-A630 PolarHBondContact O-N 3.44Å; A630-N633 PolarHBondContact O-N 3.45Å; A630-R634 PolarHBondContact O-N 3.47Å
631N86.6Confident89.6Confident101 Ų10196.8 Ų96.854%0.5452%0.522SS..Hα-helixtrans-69.8-39.7177.1-159.912.9000112.1N627 I629 N633 R634 I635N627-N631 WeakPolarHBondContact O-CB 3.48Å; N627-N631 PolarHBondContact O-N 3.28Å; I629-N631 VanDerWaalsContact C-N 3.29Å; I629-N631 PolarHBondContact O-N 2.9Å; N631-N633 VanDerWaalsContact C-N 3.32Å; N631-N633 PolarHBondContact O-N 2.92Å; N631-R634 WeakPolarHBondContact O-CB 3.5Å; N631-R634 PolarHBondContact O-N 3.43Å; N631-I635 WeakPolarHBondContact O-CG1 3.4Å; N631-I635 PolarHBondContact O-N 3.35Å
632A93.3Very high89.4Confident54 Ų5496 Ų9645%0.44652%0.521SS..Hα-helixtrans-60.5-41.4173.900000112S628 I629 I635 A636S628-A632 WeakPolarHBondContact O-CB 3.47Å; S628-A632 PolarHBondContact O-N 2.85Å; I629-A632 PolarHBondContact O-N 3.24Å; A632-I635 PolarHBondContact O-N 3.38Å; A632-A636 PolarHBondContact O-N 2.86Å
633N92Very high89Confident104 Ų10494.9 Ų94.956%0.55652%0.516SS*.Hα-helixtrans-64.7-40.6175.1-68.5-16.9000111.9I629 A630 N631 I635 A636 E637I629-N633 PolarHBondContact O-N 3.36Å; A630-N633 PolarHBondContact O-N 3.45Å; N631-N633 VanDerWaalsContact C-N 3.32Å; N631-N633 PolarHBondContact O-N 2.92Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.94Å; N633-A636 PolarHBondContact O-N 3.32Å; N633-E637 PolarHBondContact O-N 3.03Å
634R91.6Very high88.9Confident144 Ų14493.4 Ų93.454%0.54352%0.515SS..Hα-helixtrans-62.3-38.2175.9-172.369.3171.8129.80.6112.1A630 N631 L638A630-R634 PolarHBondContact O-N 3.47Å; N631-R634 WeakPolarHBondContact O-CB 3.5Å; N631-R634 PolarHBondContact O-N 3.43Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 2.69Å; R634-L638 VanDerWaalsContact O-N 3.15Å
635I89.6Confident88.6Confident82 Ų8293.3 Ų93.342%0.42151%0.509SS..Hα-helixtrans-67.1-45.6175.5-67.4166.3000110.3N631 A632 N633 E637 L638 E639N631-I635 WeakPolarHBondContact O-CG1 3.4Å; N631-I635 PolarHBondContact O-N 3.35Å; A632-I635 PolarHBondContact O-N 3.38Å; N633-I635 VanDerWaalsContact C-N 3.31Å; N633-I635 PolarHBondContact O-N 2.94Å; I635-E637 VanDerWaalsContact C-N 3.3Å; I635-E637 PolarHBondContact O-N 3.08Å; I635-L638 PolarHBondContact O-N 3.32Å; I635-L638 VanDerWaalsContact O-N 3.11Å; I635-E639 HydrophobicContact CG2-CG 4.35Å; I635-E639 WeakPolarHBondContact O-CG 3.4Å; I635-E639 PolarHBondContact O-N 3.28Å
636A89.5Confident88.3Confident52 Ų5292.7 Ų92.743%0.4350%0.501SS..Hα-helixtrans-60.7-38.2177.300000112.7A632 N633 E639 S640A632-A636 PolarHBondContact O-N 2.86Å; N633-A636 PolarHBondContact O-N 3.32Å; A636-E639 PolarHBondContact O-N 3.08Å; A636-S640 WeakPolarHBondContact O-CB 3.21Å; A636-S640 PolarHBondContact O-N 3.47Å
637E90.7Very high88Confident114 Ų11497.3 Ų97.353%0.53351%0.512SS..Hα-helixtrans-61.1-45.5172.7-175101-148.400111.6N633 I635 S640 Q641N633-E637 PolarHBondContact O-N 3.03Å; I635-E637 VanDerWaalsContact C-N 3.3Å; I635-E637 PolarHBondContact O-N 3.08Å; E637-S640 WeakPolarHBondContact O-CB 3.43Å; E637-S640 PolarHBondContact O-N 3.13Å; E637-Q641 WeakPolarHBondContact O-CG 3.47Å; E637-Q641 PolarHBondContact O-N 3.27Å
638L86Confident87.7Confident88 Ų8897.5 Ų97.546%0.46151%0.512SS..Hα-helixtrans-66.7-37.5177.8-70.3172.5000112.1R634 I635 Q641 L642R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 2.69Å; R634-L638 VanDerWaalsContact O-N 3.15Å; I635-L638 PolarHBondContact O-N 3.32Å; I635-L638 VanDerWaalsContact O-N 3.11Å; L638-Q641 PolarHBondContact O-N 3.26Å; L638-L642 PolarHBondContact O-N 3.21Å
639E88Confident87.5Confident130 Ų13098.6 Ų98.661%0.60751%0.508SS*.Hα-helixtrans-65.2-40.4173.8-72.4177.9165.900111.5I635 A636 Q641 L642 E643I635-E639 HydrophobicContact CG2-CG 4.35Å; I635-E639 WeakPolarHBondContact O-CG 3.4Å; I635-E639 PolarHBondContact O-N 3.28Å; A636-E639 PolarHBondContact O-N 3.08Å; E639-Q641 VanDerWaalsContact C-N 3.31Å; E639-Q641 PolarHBondContact O-N 2.99Å; E639-L642 WeakPolarHBondContact O-CB 3.42Å; E639-L642 PolarHBondContact O-N 3.09Å; E639-E643 PolarHBondContact O-N 3.04Å
640S85.7Confident87.2Confident82 Ų82100.9 Ų100.957%0.57352%0.515SS*.Hα-helixtrans-61.8-37.6172.8-177.70000112.1A636 E637 L642 E643A636-S640 WeakPolarHBondContact O-CB 3.21Å; A636-S640 PolarHBondContact O-N 3.47Å; E637-S640 WeakPolarHBondContact O-CB 3.43Å; E637-S640 PolarHBondContact O-N 3.13Å; S640-L642 PolarHBondContact O-N 3.33Å; S640-E643 WeakPolarHBondContact O-CB 3.35Å; S640-E643 PolarHBondContact O-N 2.92Å
641Q86Confident86.6Confident123 Ų123101.6 Ų101.658%0.57552%0.517SS*.Hα-helixtrans-69.6-16.5174.9-70.9-177.121.900113.1E637 L638 E639 P644E637-Q641 WeakPolarHBondContact O-CG 3.47Å; E637-Q641 PolarHBondContact O-N 3.27Å; L638-Q641 PolarHBondContact O-N 3.26Å; E639-Q641 VanDerWaalsContact C-N 3.31Å; E639-Q641 PolarHBondContact O-N 2.99Å; Q641-P644 WeakPolarHBondContact O-CD 3.4Å
642L87.3Confident86.1Confident93 Ų93102.2 Ų102.249%0.48752%0.52SS..Hα-helixtrans-88.6-10.7176.9-145.574.5000113.2L638 E639 S640 F645 N646L638-L642 PolarHBondContact O-N 3.21Å; E639-L642 WeakPolarHBondContact O-CB 3.42Å; E639-L642 PolarHBondContact O-N 3.09Å; S640-L642 PolarHBondContact O-N 3.33Å; L642-F645 HydrophobicContact CG-CB 4.47Å; L642-F645 WeakPolarHBondContact O-CB 3.44Å; L642-F645 PolarHBondContact O-N 3.46Å; L642-F645 VanDerWaalsContact O-N 3.09Å; L642-N646 PolarHBondContact O-N 3.02Å
643E82.8Confident85.5Confident93 Ų93104.3 Ų104.344%0.43552%0.523SS..Hα-helixtrans-56.8-41.7177.9-86.5-62.9129.300114.6E639 S640 F645 N646 R647E639-E643 PolarHBondContact O-N 3.04Å; S640-E643 WeakPolarHBondContact O-CB 3.35Å; S640-E643 PolarHBondContact O-N 2.92Å; E643-F645 VanDerWaalsContact C-N 3.28Å; E643-F645 PolarHBondContact O-N 2.96Å; E643-N646 PolarHBondContact O-N 2.84Å; E643-R647 PolarHBondContact O-N 3Å
644P84.4Confident84.7Confident87 Ų87103.1 Ų103.157%0.56552%0.52SS*.Hα-helixtrans-58.8-38.9173.6-24.134.2000112.7Q641 R647 L648Q641-P644 WeakPolarHBondContact O-CD 3.4Å; P644-R647 PolarHBondContact O-N 3.38Å; P644-L648 PolarHBondContact O-N 3.13Å
645F84.6Confident83.5Confident124 Ų12499.4 Ų99.454%0.54451%0.513SS..Hα-helixtrans-68.4-43.2177-176.6-94.1000111.4L642 E643 R647 L648 Q649L642-F645 HydrophobicContact CG-CB 4.47Å; L642-F645 WeakPolarHBondContact O-CB 3.44Å; L642-F645 PolarHBondContact O-N 3.46Å; L642-F645 VanDerWaalsContact O-N 3.09Å; E643-F645 VanDerWaalsContact C-N 3.28Å; E643-F645 PolarHBondContact O-N 2.96Å; F645-R647 VanDerWaalsContact C-N 3.31Å; F645-R647 PolarHBondContact O-N 2.82Å; F645-L648 PolarHBondContact O-N 3.27Å; F645-Q649 WeakPolarHBondContact O-CB 3.4Å; F645-Q649 PolarHBondContact O-N 3.04Å
646N85.2Confident82.5Confident49 Ų4998.6 Ų98.626%0.26251%0.512SS..Hα-helixtrans-61.8-37.7174.1-76.2-33.4000112.2L642 E643 K650L642-N646 PolarHBondContact O-N 3.02Å; E643-N646 PolarHBondContact O-N 2.84Å; N646-K650 WeakPolarHBondContact O-CB 3.42Å; N646-K650 VanDerWaalsContact O-CG 3.28Å; N646-K650 WeakPolarHBondContact O-CG 3.46Å; N646-K650 PolarHBondContact O-N 3.49Å
647R83.4Confident81.3Confident190 Ų19099.5 Ų99.572%0.71752%0.515SS*.Hα-helixtrans-63.5-45.5172.2-82.3-174.6176-159.2-0.4111.7E643 P644 F645 K650 S651E643-R647 PolarHBondContact O-N 3Å; P644-R647 PolarHBondContact O-N 3.38Å; F645-R647 VanDerWaalsContact C-N 3.31Å; F645-R647 PolarHBondContact O-N 2.82Å; R647-K650 PolarHBondContact O-N 2.72Å; R647-S651 WeakPolarHBondContact O-CB 3.45Å; R647-S651 PolarHBondContact O-N 2.87Å
648L81Confident79.8Confident116 Ų11698.5 Ų98.561%0.60751%0.513SS*.Hα-helixtrans-62.6-44.7177.7-175.865.4000111.3P644 F645 K650 S651 L652P644-L648 PolarHBondContact O-N 3.13Å; F645-L648 PolarHBondContact O-N 3.27Å; L648-K650 PolarHBondContact O-N 2.92Å; L648-S651 WeakPolarHBondContact O-CB 3.48Å; L648-S651 PolarHBondContact O-N 3.18Å; L648-L652 WeakPolarHBondContact O-CB 3.49Å; L648-L652 PolarHBondContact O-N 3.03Å
649Q87.2Confident77.6Confident103 Ų10399.9 Ų99.948%0.48152%0.521SS..Hα-helixtrans-61.1-43.5177.1-171.5-177.31500111.7F645 L652 N653F645-Q649 WeakPolarHBondContact O-CB 3.4Å; F645-Q649 PolarHBondContact O-N 3.04Å; Q649-L652 PolarHBondContact O-N 3.39Å; Q649-N653 WeakPolarHBondContact O-CB 3.48Å; Q649-N653 PolarHBondContact O-N 2.98Å
650K85.9Confident76Confident136 Ų136100.6 Ų100.659%0.59153%0.528SS*.Hα-helixtrans-62.8-42.2173.8-75.7172.2-176.6170.70111.7N646 R647 L648 N653 T654N646-K650 WeakPolarHBondContact O-CB 3.42Å; N646-K650 VanDerWaalsContact O-CG 3.28Å; N646-K650 WeakPolarHBondContact O-CG 3.46Å; N646-K650 PolarHBondContact O-N 3.49Å; R647-K650 PolarHBondContact O-N 2.72Å; L648-K650 PolarHBondContact O-N 2.92Å; K650-N653 PolarHBondContact O-N 2.71Å; K650-T654 WeakPolarHBondContact O-CB 3.5Å; K650-T654 PolarHBondContact O-N 3.47Å; K650-T654 PolarHBondContact O-OG1 3.26Å
651S78.5Confident74.1Confident69 Ų69100.7 Ų100.748%0.48353%0.528SS..Hα-helixtrans-62.4-46177.1-1660000111.2R647 L648 T654 T655R647-S651 WeakPolarHBondContact O-CB 3.45Å; R647-S651 PolarHBondContact O-N 2.87Å; L648-S651 WeakPolarHBondContact O-CB 3.48Å; L648-S651 PolarHBondContact O-N 3.18Å; S651-T654 WeakPolarHBondContact O-CB 3.49Å; S651-T654 PolarHBondContact O-N 3.43Å; S651-T655 PolarHBondContact O-N 2.86Å; S651-T655 PolarHBondContact O-OG1 3.41Å; S651-T655 VanDerWaalsContact O-OG1 3.04Å
652L75.9Confident71.6Confident114 Ų114100.4 Ų100.460%0.59753%0.53SS*.Hα-helixtrans-63.2-45.6177.5-171.670.8000111.3L648 Q649 T654 T655 V656L648-L652 WeakPolarHBondContact O-CB 3.49Å; L648-L652 PolarHBondContact O-N 3.03Å; Q649-L652 PolarHBondContact O-N 3.39Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 3.24Å; L652-T655 WeakPolarHBondContact O-CB 3.23Å; L652-T655 PolarHBondContact O-N 3.35Å; L652-T655 VanDerWaalsContact O-N 3.16Å; L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.27Å; L652-V656 PolarHBondContact O-N 3.42Å
653N80Confident69.3Low97 Ų97101.5 Ų101.552%0.51954%0.543SS..Hα-helixtrans-61.9-35.2174.9-99-14.1000112.4Q649 K650 S657Q649-N653 WeakPolarHBondContact O-CB 3.48Å; Q649-N653 PolarHBondContact O-N 2.98Å; K650-N653 PolarHBondContact O-N 2.71Å; N653-S657 VanDerWaalsContact O-CB 3.28Å; N653-S657 WeakPolarHBondContact O-CB 3.48Å; N653-S657 PolarHBondContact O-N 3.33Å; N653-S657 PolarHBondContact O-OG 3.37Å
654T74.9Confident67.4Low79 Ų79102.7 Ų102.749%0.48556%0.559SS.*Hα-helixtrans-66.4-43.7174.4-54.10000110.3K650 S651 L652 S657 N658K650-T654 WeakPolarHBondContact O-CB 3.5Å; K650-T654 PolarHBondContact O-N 3.47Å; K650-T654 PolarHBondContact O-OG1 3.26Å; S651-T654 WeakPolarHBondContact O-CB 3.49Å; S651-T654 PolarHBondContact O-N 3.43Å; L652-T654 VanDerWaalsContact C-N 3.26Å; L652-T654 PolarHBondContact O-N 3.24Å; T654-S657 PolarHBondContact O-N 3.45Å; T654-N658 WeakPolarHBondContact O-CB 3.36Å; T654-N658 PolarHBondContact O-N 2.87Å; T654-N658 PolarHBondContact O-ND2 2.92Å
655T67.2Low65.1Low67 Ų67104.4 Ų104.441%0.41157%0.57SS.*Hα-helixtrans-62.6-45.3174.7-54.80000111.7S651 L652 S657 N658 L659S651-T655 PolarHBondContact O-N 2.86Å; S651-T655 PolarHBondContact O-OG1 3.41Å; S651-T655 VanDerWaalsContact O-OG1 3.04Å; L652-T655 WeakPolarHBondContact O-CB 3.23Å; L652-T655 PolarHBondContact O-N 3.35Å; L652-T655 VanDerWaalsContact O-N 3.16Å; T655-S657 VanDerWaalsContact C-N 3.31Å; T655-S657 PolarHBondContact O-N 3.45Å; T655-N658 WeakPolarHBondContact O-CB 3.41Å; T655-N658 PolarHBondContact O-N 3.45Å; T655-L659 WeakPolarHBondContact O-CG 3.38Å; T655-L659 PolarHBondContact O-N 2.7Å
656V68.5Low62.5Low65 Ų65104 Ų10439%0.39458%0.58SS.*Hα-helixtrans-62-40.4175.9172.30000110.8L652 L659 L660L652-V656 VanDerWaalsContact O-CG2 3.31Å; L652-V656 WeakPolarHBondContact O-CG2 3.27Å; L652-V656 PolarHBondContact O-N 3.42Å; V656-L659 PolarHBondContact O-N 3.13Å; V656-L660 HydrophobicContact CG1-CD1 3.97Å; V656-L660 WeakPolarHBondContact O-CD1 3.44Å; V656-L660 PolarHBondContact O-N 3.05Å
657S65.1Low59.7Low71 Ų71107.8 Ų107.850%0.49761%0.605SS.*Hα-helixtrans-65.4-39.7175-59.10000111.9N653 T654 T655 L660 S661N653-S657 VanDerWaalsContact O-CB 3.28Å; N653-S657 WeakPolarHBondContact O-CB 3.48Å; N653-S657 PolarHBondContact O-N 3.33Å; N653-S657 PolarHBondContact O-OG 3.37Å; T654-S657 PolarHBondContact O-N 3.45Å; T655-S657 VanDerWaalsContact C-N 3.31Å; T655-S657 PolarHBondContact O-N 3.45Å; S657-L660 PolarHBondContact O-N 2.99Å; S657-S661 WeakPolarHBondContact O-CB 3.5Å; S657-S661 PolarHBondContact O-N 3.48Å
658N57.6Low57.1Low92 Ų92106.5 Ų106.549%0.49261%0.612SS.*Hα-helixtrans-64-41.8174.5-71.1-17.5000110.9T654 T655 S661 L662T654-N658 WeakPolarHBondContact O-CB 3.36Å; T654-N658 PolarHBondContact O-N 2.87Å; T654-N658 PolarHBondContact O-ND2 2.92Å; T655-N658 WeakPolarHBondContact O-CB 3.41Å; T655-N658 PolarHBondContact O-N 3.45Å; N658-S661 WeakPolarHBondContact CA-OG 3.45Å; N658-S661 PolarHBondContact O-N 2.91Å; N658-S661 VanDerWaalsContact O-N 3.1Å; N658-S661 PolarHBondContact O-OG 3.01Å; N658-L662 WeakPolarHBondContact O-CD1 3.37Å; N658-L662 PolarHBondContact O-N 3.45Å
659L40.9Very low54.6Low117 Ų117106.1 Ų106.161%0.61362%0.616SS**Hα-helixtrans-65.5-37175.4-68.8-178.8000112.5T655 V656 S661 L662T655-L659 WeakPolarHBondContact O-CG 3.38Å; T655-L659 PolarHBondContact O-N 2.7Å; V656-L659 PolarHBondContact O-N 3.13Å; L659-S661 VanDerWaalsContact C-N 3.27Å; L659-S661 PolarHBondContact O-N 3.03Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.99Å
660L53Low51.8Low146 Ų146106.2 Ų106.276%0.76463%0.628SS**Hα-helixtrans-70.9-21.6172-98.585.2000113.2V656 S657 L662V656-L660 HydrophobicContact CG1-CD1 3.97Å; V656-L660 WeakPolarHBondContact O-CD1 3.44Å; V656-L660 PolarHBondContact O-N 3.05Å; S657-L660 PolarHBondContact O-N 2.99Å; L660-L662 VanDerWaalsContact C-N 3.33Å
661S46Very low49.1Very low83 Ų83107.9 Ų107.958%0.5864%0.638SS**THydrogen-bonded Turntrans-85.6-1.3177.8780000114S657 N658 L659 P663S657-S661 WeakPolarHBondContact O-CB 3.5Å; S657-S661 PolarHBondContact O-N 3.48Å; N658-S661 WeakPolarHBondContact CA-OG 3.45Å; N658-S661 PolarHBondContact O-N 2.91Å; N658-S661 VanDerWaalsContact O-N 3.1Å; N658-S661 PolarHBondContact O-OG 3.01Å; L659-S661 VanDerWaalsContact C-N 3.27Å; L659-S661 PolarHBondContact O-N 3.03Å; S661-P663 WeakPolarHBondContact O-CD 3.43Å
662L34.9Very low46.7Very low117 Ų117112.8 Ų112.861%0.61366%0.658SS**SBendtrans-64.5121.6171.8-97.484.5000109.3N658 L659 L660N658-L662 WeakPolarHBondContact O-CD1 3.37Å; N658-L662 PolarHBondContact O-N 3.45Å; L659-L662 HydrophobicContact CD2-CD1 4.42Å; L659-L662 PolarHBondContact O-N 2.99Å; L660-L662 VanDerWaalsContact C-N 3.33Å
663P37.7Very low44.5Very low116 Ų116116.3 Ų116.375%0.75368%0.676SS**PPolyproline II helixtrans-63.3130.2-178.924.1-31.1000109.8S661S661-P663 WeakPolarHBondContact O-CD 3.43Å
664P44Very low42Very low119 Ų119114.6 Ų114.677%0.77368%0.681SS**PPolyproline II helixtrans-68.4142.2-176.224.2-31.1000111.7
665P35.3Very low40Very low122 Ų122119.4 Ų119.479%0.79270%0.698SS**PPolyproline II helixtrans-66.5160.6-178.525.5-32000113.2T667P665-T667 PolarHBondContact O-N 2.94Å
666P30.6Very low38.2Very low117 Ų117126 Ų12676%0.7672%0.724SS**PPolyproline II helixtrans-73.4124.3-153.827.1-34.2000115.1
667T26.6Very low36.7Very low128 Ų128127 Ų12779%0.78574%0.735SS**  trans42.692.1135.3-17.80000117.9P665P665-T667 PolarHBondContact O-N 2.94Å
668L28.3Very low35.4Very low163 Ų163128.4 Ų128.485%0.85374%0.744SS**  trans-110.9152.6148.4-85.9152.1000109.4S670L668-S670 PolarHBondContact O-N 2.95Å
669P29Very low34.5Very low108 Ų108129.9 Ų129.970%0.70176%0.76SS**  trans-74.5107.1-146.5-1933.7000116.7H671P669-H671 PolarHBondContact O-N 2.9Å
670S27.2Very low34.5Very low105 Ų105128.7 Ų128.773%0.73476%0.758SS**SBend50.71.2122.6-47.10000124.3L668L668-S670 PolarHBondContact O-N 2.95Å
671H29.5Very low33.8Very low171 Ų171130.9 Ų130.979%0.79276%0.756SS**SBendtrans-115.51.8-174-95.8-64.4000120P669P669-H671 PolarHBondContact O-N 2.9Å
672L28.2Very low34Very low172 Ų172131.1 Ų131.190%0.90176%0.756SS**SBendtrans-138.525.1177.1-67.6175.9000115.8G674L672-G674 PolarHBondContact O-N 3.4Å
673L30.1Very low34.9Very low187 Ų187126.4 Ų126.498%0.97973%0.732SS**  trans-92.882.7166.9-100.879.2000110.3
674G27.9Very low36Very low62 Ų62126.6 Ų126.664%0.63973%0.731SS**  trans-132.157.3173.700000111.1L672L672-G674 PolarHBondContact O-N 3.4Å
675Q32.4Very low37.2Very low179 Ų179123.1 Ų123.184%0.83671%0.71SS**  trans-178.7117.2142.7-101.7167.780.200110.9S677Q675-S677 PolarHBondContact O-N 3.43Å
676Q29.1Very low39Very low206 Ų206122 Ų12296%0.96370%0.701SS**  trans-73.3107.5160.5-65.2175.14.800106.7
677S38.2Very low41.1Very low87 Ų87124.1 Ų124.161%0.60870%0.7SS**  trans-128.9123.3162.747.70000109Q675 C679Q675-S677 PolarHBondContact O-N 3.43Å; S677-C679 PolarHBondContact O-N 3.35Å
678S36.7Very low43.3Very low99 Ų99122 Ų12269%0.69268%0.684SS**  trans-43.2127.7176.849.50000112.8T680S678-T680 VanDerWaalsContact C-N 3.29Å; S678-T680 PolarHBondContact O-N 3.42Å
679C38.8Very low45.5Very low124 Ų124119.1 Ų119.184%0.83867%0.666SS**  trans-67.286.1169.9-172.70000109.3S677S677-C679 PolarHBondContact O-N 3.35Å
680T41.6Very low47.5Very low91 Ų91118.7 Ų118.756%0.55866%0.658SS**  trans-87112.7166.325.90000108S678 P682S678-T680 VanDerWaalsContact C-N 3.29Å; S678-T680 PolarHBondContact O-N 3.42Å; T680-P682 CarbonylContact O-C 3.57Å
681W38.4Very low49.9Very low193 Ų193116.4 Ų116.473%0.73165%0.645SS**SBendtrans-83.9135.3167.8-125.485.3000109.2L692W681-L692 HydrophobicContact CZ2-CD2 3.91Å
682P50.1Low52Low87 Ų87112.2 Ų112.257%0.56563%0.628SS**SBendcis-75.5146.9-2.431.3-32.9000112.2T680 T684T680-P682 CarbonylContact O-C 3.57Å; P682-T684 PolarHBondContact O-N 2.97Å; P682-T684 VanDerWaalsContact O-N 3.13Å
683P53.9Low54.2Low18 Ų18109.2 Ų109.212%0.11761%0.613CS.*PPolyproline II helixtrans-57.1118.9176.719.8-28.9000109.8D688 Q689 L692P683-D688 HydrophobicContact CB-CB 3.58Å; P683-Q689 HydrophobicContact CB-CG 4.08Å; P683-Q689 HydrophobicContact CG-CG 3.96Å; P683-Q689 VanDerWaalsContact O-CG 3.27Å; P683-Q689 WeakPolarHBondContact O-CG 3.49Å; P683-Q689 PolarHBondContact O-NE2 3.46Å; P683-L692 HydrophobicContact CG-CD2 4.35Å
684T59.6Low56.6Low120 Ų120104 Ų10474%0.73659%0.588SS**  trans-93.5-21.7-178.441.30000112.4P682P682-T684 PolarHBondContact O-N 2.97Å; P682-T684 VanDerWaalsContact O-N 3.13Å
685S70.9Confident58.9Low46 Ų46103.4 Ų103.432%0.32258%0.578SS.*SBendtrans-79.8136172.5100.50000109.5E687 D688 Q689S685-E687 PolarHBondContact O-N 3.34Å; S685-D688 WeakPolarHBondContact CB-OD2 3.43Å; S685-D688 PolarHBondContact O-N 2.96Å; S685-D688 WeakPolarHBondContact OG-CB 3.48Å; S685-D688 PolarHBondContact OG-N 3.47Å; S685-D688 PolarHBondContact OG-OD2 3.46Å; S685-Q689 PolarHBondContact O-N 2.96Å; S685-Q689 VanDerWaalsContact O-N 3.07Å
686V72.5Confident60.9Low100 Ų10097.8 Ų97.861%0.60656%0.558SS**Hα-helixtrans-60.1-30.8177.9-178.60000110.6Q689 L690V686-Q689 PolarHBondContact O-N 2.95Å; V686-L690 HydrophobicContact CG1-CD1 4.08Å; V686-L690 HydrophobicContact CG1-CG 4.5Å; V686-L690 WeakPolarHBondContact O-CB 3.46Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.17Å
687E74.4Confident63.4Low160 Ų16092.2 Ų92.275%0.74853%0.532SS*.Hα-helixtrans-70.2-39.2179.2-163.6149.5-168.200111.9S685 L690 A691S685-E687 PolarHBondContact O-N 3.34Å; E687-L690 PolarHBondContact O-N 3.03Å; E687-A691 WeakPolarHBondContact O-CB 3.44Å; E687-A691 PolarHBondContact O-N 3.41Å
688D72.6Confident65.7Low83 Ų8391.6 Ų91.644%0.44452%0.524SS..Hα-helixtrans-71.4-35.4174.1-62.6-45.5000112.3P683 S685 A691 L692P683-D688 HydrophobicContact CB-CB 3.58Å; S685-D688 WeakPolarHBondContact CB-OD2 3.43Å; S685-D688 PolarHBondContact O-N 2.96Å; S685-D688 WeakPolarHBondContact OG-CB 3.48Å; S685-D688 PolarHBondContact OG-N 3.47Å; S685-D688 PolarHBondContact OG-OD2 3.46Å; D688-A691 PolarHBondContact O-N 3.03Å; D688-L692 WeakPolarHBondContact O-CB 3.39Å; D688-L692 PolarHBondContact O-N 3.21Å
689Q74.3Confident67.6Low103 Ų10390.4 Ų90.448%0.48152%0.516SS..Hα-helixtrans-64.6-42.5172.7-72.5-176.3-14.700111.7P683 S685 V686 L692 L693P683-Q689 HydrophobicContact CB-CG 4.08Å; P683-Q689 HydrophobicContact CG-CG 3.96Å; P683-Q689 VanDerWaalsContact O-CG 3.27Å; P683-Q689 WeakPolarHBondContact O-CG 3.49Å; P683-Q689 PolarHBondContact O-NE2 3.46Å; S685-Q689 PolarHBondContact O-N 2.96Å; S685-Q689 VanDerWaalsContact O-N 3.07Å; V686-Q689 PolarHBondContact O-N 2.95Å; Q689-L692 PolarHBondContact O-N 2.91Å; Q689-L693 WeakPolarHBondContact O-CB 3.4Å; Q689-L693 PolarHBondContact O-N 2.86Å
690L71.7Confident69.8Low99 Ų9987 Ų8752%0.51850%0.497SS..Hα-helixtrans-65.8-40174.3-78.9167.7000111.6V686 E687 L693 T694V686-L690 HydrophobicContact CG1-CD1 4.08Å; V686-L690 HydrophobicContact CG1-CG 4.5Å; V686-L690 WeakPolarHBondContact O-CB 3.46Å; V686-L690 WeakPolarHBondContact O-CG 3.34Å; V686-L690 PolarHBondContact O-N 3.17Å; E687-L690 PolarHBondContact O-N 3.03Å; L690-L693 PolarHBondContact O-N 3.09Å; L690-T694 VanDerWaalsContact O-CB 3.23Å; L690-T694 WeakPolarHBondContact O-CB 3.4Å; L690-T694 PolarHBondContact O-N 3.33Å; L690-T694 PolarHBondContact O-OG1 3.46Å
691A76.4Confident71.9Confident58 Ų5889.8 Ų89.848%0.47950%0.497SS..Hα-helixtrans-63-41.8175.500000111.7E687 D688 A695E687-A691 WeakPolarHBondContact O-CB 3.44Å; E687-A691 PolarHBondContact O-N 3.41Å; D688-A691 PolarHBondContact O-N 3.03Å; A691-A695 VanDerWaalsContact O-CB 3.25Å; A691-A695 WeakPolarHBondContact O-CB 3.2Å; A691-A695 PolarHBondContact O-N 2.97Å
692L75Confident74.3Confident83 Ų8384.3 Ų84.344%0.43548%0.482SS..Hα-helixtrans-66.4-46.2175.4-175.969.5000111.8W681 P683 D688 Q689 T694 A695 S696W681-L692 HydrophobicContact CZ2-CD2 3.91Å; P683-L692 HydrophobicContact CG-CD2 4.35Å; D688-L692 WeakPolarHBondContact O-CB 3.39Å; D688-L692 PolarHBondContact O-N 3.21Å; Q689-L692 PolarHBondContact O-N 2.91Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.11Å; L692-A695 PolarHBondContact O-N 2.87Å; L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 3.2Å; L692-S696 PolarHBondContact O-OG 3.48Å
693L74.2Confident76.1Confident109 Ų10984 Ų8457%0.57147%0.473SS*.Hα-helixtrans-61.4-44.8177.9-169.171000110.4Q689 L690 A695 S696 E697Q689-L693 WeakPolarHBondContact O-CB 3.4Å; Q689-L693 PolarHBondContact O-N 2.86Å; L690-L693 PolarHBondContact O-N 3.09Å; L693-A695 PolarHBondContact O-N 2.66Å; L693-S696 WeakPolarHBondContact CA-OG 3.27Å; L693-S696 PolarHBondContact O-N 3.04Å; L693-S696 PolarHBondContact O-OG 3.24Å; L693-E697 WeakPolarHBondContact O-CB 3.43Å; L693-E697 PolarHBondContact O-N 3.49Å
694T80.9Confident77.7Confident76 Ų7688.6 Ų88.647%0.46650%0.495SS..Hα-helixtrans-62.2-42.8175.8-53.20000111.3L690 L692 E697 V698L690-T694 VanDerWaalsContact O-CB 3.23Å; L690-T694 WeakPolarHBondContact O-CB 3.4Å; L690-T694 PolarHBondContact O-N 3.33Å; L690-T694 PolarHBondContact O-OG1 3.46Å; L692-T694 VanDerWaalsContact C-N 3.33Å; L692-T694 PolarHBondContact O-N 3.11Å; T694-E697 PolarHBondContact O-N 3.09Å; T694-V698 HydrophobicContact CG2-CG2 4.43Å; T694-V698 WeakPolarHBondContact O-CB 3.31Å; T694-V698 WeakPolarHBondContact O-CG2 3.46Å; T694-V698 PolarHBondContact O-N 3.1Å
695A76.3Confident79.3Confident51 Ų5187.1 Ų87.142%0.42148%0.482SS..Hα-helixtrans-66.1-38176.600000112.4A691 L692 L693 S699A691-A695 VanDerWaalsContact O-CB 3.25Å; A691-A695 WeakPolarHBondContact O-CB 3.2Å; A691-A695 PolarHBondContact O-N 2.97Å; L692-A695 PolarHBondContact O-N 2.87Å; L693-A695 PolarHBondContact O-N 2.66Å; A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 2.91Å
696S74.5Confident80.3Confident60 Ų6091.5 Ų91.542%0.4249%0.492SS..Hα-helixtrans-68-39.2175.2740000111.7L692 L693 S699 A700L692-S696 WeakPolarHBondContact O-CB 3.47Å; L692-S696 PolarHBondContact O-N 3.2Å; L692-S696 PolarHBondContact O-OG 3.48Å; L693-S696 WeakPolarHBondContact CA-OG 3.27Å; L693-S696 PolarHBondContact O-N 3.04Å; L693-S696 PolarHBondContact O-OG 3.24Å; S696-S699 PolarHBondContact O-N 2.89Å; S696-A700 WeakPolarHBondContact O-CB 3.4Å; S696-A700 PolarHBondContact O-N 3.28Å
697E80.9Confident81.3Confident90 Ų9091.6 Ų91.642%0.42149%0.488SS..Hα-helixtrans-67.5-43.4175.3-174.1179.216800111.3L693 T694 S699 A700 R701L693-E697 WeakPolarHBondContact O-CB 3.43Å; L693-E697 PolarHBondContact O-N 3.49Å; T694-E697 PolarHBondContact O-N 3.09Å; E697-S699 VanDerWaalsContact C-N 3.28Å; E697-S699 PolarHBondContact O-N 3.47Å; E697-A700 PolarHBondContact O-N 3.15Å; E697-R701 WeakPolarHBondContact O-CB 3.48Å; E697-R701 VanDerWaalsContact O-CG 3.3Å; E697-R701 WeakPolarHBondContact O-CG 3.24Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.03Å; E697-R701 VanDerWaalsContact OE1-CZ 3.29Å; E697-R701 IonicContact OE1-NE 3.65Å; E697-R701 PolarHBondContact OE1-NE 3.26Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.01Å
698V85.6Confident82.3Confident73 Ų7388.3 Ų88.344%0.44248%0.476SS..Hα-helixtrans-61.7-38.8174.31700000110.7T694 R701 N702T694-V698 HydrophobicContact CG2-CG2 4.43Å; T694-V698 WeakPolarHBondContact O-CB 3.31Å; T694-V698 WeakPolarHBondContact O-CG2 3.46Å; T694-V698 PolarHBondContact O-N 3.1Å; V698-R701 PolarHBondContact O-N 3.4Å; V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 PolarHBondContact O-N 2.99Å; V698-N702 PolarHBondContact O-ND2 2.92Å
699S77.6Confident83.2Confident74 Ų7488.9 Ų88.952%0.51748%0.479SS..Hα-helixtrans-66.6-43.3176.1-61.20000112.1A695 S696 E697 N702 E703A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.19Å; A695-S699 PolarHBondContact O-OG 2.91Å; S696-S699 PolarHBondContact O-N 2.89Å; E697-S699 VanDerWaalsContact C-N 3.28Å; E697-S699 PolarHBondContact O-N 3.47Å; S699-N702 PolarHBondContact O-N 2.89Å; S699-E703 PolarHBondContact O-N 2.92Å
700A83.6Confident84.1Confident52 Ų5287.7 Ų87.743%0.4348%0.482SS..Hα-helixtrans-63.8-43.3175.600000111.8S696 E697 N702 E703 I704S696-A700 WeakPolarHBondContact O-CB 3.4Å; S696-A700 PolarHBondContact O-N 3.28Å; E697-A700 PolarHBondContact O-N 3.15Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 2.91Å; A700-E703 PolarHBondContact O-N 2.89Å; A700-I704 WeakPolarHBondContact O-CG1 3.44Å; A700-I704 PolarHBondContact O-N 3.44Å
701R86Confident85Confident151 Ų15188.5 Ų88.557%0.5749%0.486SS*.Hα-helixtrans-60.9-41.6174.8-73.9176.2-178.5-126.35.8111.8E697 V698 E703 I704 I705E697-R701 WeakPolarHBondContact O-CB 3.48Å; E697-R701 VanDerWaalsContact O-CG 3.3Å; E697-R701 WeakPolarHBondContact O-CG 3.24Å; E697-R701 PolarHBondContact O-N 2.99Å; E697-R701 IonicContact OE1-CZ 3.03Å; E697-R701 VanDerWaalsContact OE1-CZ 3.29Å; E697-R701 IonicContact OE1-NE 3.65Å; E697-R701 PolarHBondContact OE1-NE 3.26Å; E697-R701 IonicContact OE1-NH2 2.73Å; E697-R701 PolarHBondContact OE1-NH2 3.01Å; V698-R701 PolarHBondContact O-N 3.4Å; R701-E703 VanDerWaalsContact C-N 3.35Å; R701-I704 PolarHBondContact O-N 2.76Å; R701-I705 VanDerWaalsContact O-CG1 3.25Å; R701-I705 WeakPolarHBondContact O-CG1 3.39Å; R701-I705 PolarHBondContact O-N 2.94Å
702N89.9Confident85.7Confident77 Ų7788.5 Ų88.541%0.41248%0.483SS..Hα-helixtrans-65.8-36.5176.8-74.7-23.5000112.6V698 S699 A700 I705 R706V698-N702 WeakPolarHBondContact O-CB 3.35Å; V698-N702 PolarHBondContact O-N 2.99Å; V698-N702 PolarHBondContact O-ND2 2.92Å; S699-N702 PolarHBondContact O-N 2.89Å; A700-N702 VanDerWaalsContact C-N 3.34Å; A700-N702 PolarHBondContact O-N 2.91Å; N702-I705 PolarHBondContact O-N 3.29Å; N702-R706 PolarHBondContact O-N 3.32Å
703E86.7Confident86.6Confident82 Ų8287.6 Ų87.638%0.38348%0.483SS..Hα-helixtrans-67.8-42173.9-172.861.9-164.300111.5S699 A700 R701 I705 R706 L707S699-E703 PolarHBondContact O-N 2.92Å; A700-E703 PolarHBondContact O-N 2.89Å; R701-E703 VanDerWaalsContact C-N 3.35Å; E703-I705 VanDerWaalsContact C-N 3.32Å; E703-I705 PolarHBondContact O-N 2.89Å; E703-R706 PolarHBondContact O-N 2.87Å; E703-R706 IonicContact OE2-CZ 3.42Å; E703-R706 IonicContact OE2-NE 3.67Å; E703-R706 PolarHBondContact OE2-NE 3.48Å; E703-R706 IonicContact OE2-NH2 2.65Å; E703-R706 PolarHBondContact OE2-NH2 3.36Å; E703-L707 HydrophobicContact CG-CD1 4.2Å; E703-L707 WeakPolarHBondContact O-CG 3.33Å; E703-L707 PolarHBondContact O-N 3.31Å
704I89.1Confident87.5Confident113 Ų11388.6 Ų88.658%0.57948%0.483SS*.Hα-helixtrans-60.2-42.5174.5-68.9166.1000111A700 R701 L707 N708A700-I704 WeakPolarHBondContact O-CG1 3.44Å; A700-I704 PolarHBondContact O-N 3.44Å; R701-I704 PolarHBondContact O-N 2.76Å; I704-L707 PolarHBondContact O-N 3.02Å; I704-N708 VanDerWaalsContact O-CB 3.31Å; I704-N708 WeakPolarHBondContact O-CB 3.5Å; I704-N708 PolarHBondContact O-N 2.85Å
705I92.3Very high88.2Confident90 Ų9091.6 Ų91.646%0.46249%0.49SS..Hα-helixtrans-61.4-48.3175.9-68.9163.8000110.4R701 N702 E703 L707 N708 D709R701-I705 VanDerWaalsContact O-CG1 3.25Å; R701-I705 WeakPolarHBondContact O-CG1 3.39Å; R701-I705 PolarHBondContact O-N 2.94Å; N702-I705 PolarHBondContact O-N 3.29Å; E703-I705 VanDerWaalsContact C-N 3.32Å; E703-I705 PolarHBondContact O-N 2.89Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 2.9Å; I705-N708 PolarHBondContact O-N 3.24Å; I705-D709 PolarHBondContact O-N 3.37Å
706R91.9Very high89Confident137 Ų13795.2 Ų95.252%0.51750%0.498SS..Hα-helixtrans-57.3-44176.2-85.1-166.8-68.2-91.86.1113N702 E703 D709 S710N702-R706 PolarHBondContact O-N 3.32Å; E703-R706 PolarHBondContact O-N 2.87Å; E703-R706 IonicContact OE2-CZ 3.42Å; E703-R706 IonicContact OE2-NE 3.67Å; E703-R706 PolarHBondContact OE2-NE 3.48Å; E703-R706 IonicContact OE2-NH2 2.65Å; E703-R706 PolarHBondContact OE2-NH2 3.36Å; R706-D709 PolarHBondContact O-N 3.25Å; R706-S710 WeakPolarHBondContact O-CB 3.34Å; R706-S710 PolarHBondContact O-N 3.08Å; R706-S710 PolarHBondContact O-OG 3.1Å
707L93.6Very high90Very high103 Ų10398.8 Ų98.854%0.53951%0.506SS..Hα-helixtrans-66.1-40.1178.6-72.1170.8000111.2E703 I704 I705 S710 L711E703-L707 HydrophobicContact CG-CD1 4.2Å; E703-L707 WeakPolarHBondContact O-CG 3.33Å; E703-L707 PolarHBondContact O-N 3.31Å; I704-L707 PolarHBondContact O-N 3.02Å; I705-L707 VanDerWaalsContact C-N 3.33Å; I705-L707 PolarHBondContact O-N 2.9Å; L707-S710 PolarHBondContact O-N 3.19Å; L707-L711 WeakPolarHBondContact O-CB 3.44Å; L707-L711 PolarHBondContact O-N 3.49Å
708N94.2Very high90.4Very high91 Ų9197.1 Ų97.149%0.48750%0.504SS..Hα-helixtrans-68.3-37.6177.7-171.763.9000112.8I704 I705 L711 S712I704-N708 VanDerWaalsContact O-CB 3.31Å; I704-N708 WeakPolarHBondContact O-CB 3.5Å; I704-N708 PolarHBondContact O-N 2.85Å; I705-N708 PolarHBondContact O-N 3.24Å; N708-L711 PolarHBondContact O-N 3.02Å; N708-S712 WeakPolarHBondContact O-CB 3.5Å; N708-S712 PolarHBondContact O-N 2.76Å; N708-S712 PolarHBondContact O-OG 3.01Å
709D93.3Very high90.8Very high95 Ų9599.1 Ų99.151%0.50851%0.506SS..Hα-helixtrans-66.2-41.1173.6-70.5-17.6000110.9I705 R706 S712 S713I705-D709 PolarHBondContact O-N 3.37Å; R706-D709 PolarHBondContact O-N 3.25Å; D709-S712 PolarHBondContact O-N 2.87Å; D709-S713 WeakPolarHBondContact O-CB 3.31Å; D709-S713 PolarHBondContact O-N 3.11Å
710S91.9Very high91.6Very high78 Ų78103.4 Ų103.455%0.54551%0.511SS..Hα-helixtrans-65-42.5175.6-59.70000111.9R706 L707 S713 F714R706-S710 WeakPolarHBondContact O-CB 3.34Å; R706-S710 PolarHBondContact O-N 3.08Å; R706-S710 PolarHBondContact O-OG 3.1Å; L707-S710 PolarHBondContact O-N 3.19Å; S710-S713 PolarHBondContact O-N 3.37Å; S710-F714 WeakPolarHBondContact O-CB 3.43Å; S710-F714 PolarHBondContact O-N 2.84Å
711L90.2Very high91.9Very high116 Ų116105.9 Ų105.961%0.60752%0.517SS*.Hα-helixtrans-64.4-40175.3-167.978.6000111.6L707 N708 F714 K715L707-L711 WeakPolarHBondContact O-CB 3.44Å; L707-L711 PolarHBondContact O-N 3.49Å; N708-L711 PolarHBondContact O-N 3.02Å; L711-F714 PolarHBondContact O-N 3.42Å; L711-K715 WeakPolarHBondContact O-CB 3.3Å; L711-K715 PolarHBondContact O-N 3.49Å
712S93Very high92.2Very high58 Ų58105.4 Ų105.441%0.40652%0.521SS..Hα-helixtrans-65.6-42.7175.5-63.10000111.6N708 D709 F714 K715 E716N708-S712 WeakPolarHBondContact O-CB 3.5Å; N708-S712 PolarHBondContact O-N 2.76Å; N708-S712 PolarHBondContact O-OG 3.01Å; D709-S712 PolarHBondContact O-N 2.87Å; S712-F714 PolarHBondContact O-N 3.42Å; S712-K715 PolarHBondContact O-N 2.99Å; S712-E716 PolarHBondContact O-N 3.23Å
713S92.9Very high92.3Very high64 Ų64105.5 Ų105.545%0.44853%0.527SS..Hα-helixtrans-61.2-43.4173.9-175.40000112D709 S710 E716 K717D709-S713 WeakPolarHBondContact O-CB 3.31Å; D709-S713 PolarHBondContact O-N 3.11Å; S710-S713 PolarHBondContact O-N 3.37Å; S713-E716 PolarHBondContact O-N 3.48Å; S713-K717 WeakPolarHBondContact O-CG 3.34Å; S713-K717 PolarHBondContact O-N 2.98Å
714F93Very high92.5Very high130 Ų130104.3 Ų104.357%0.5752%0.523SS*.Hα-helixtrans-63.3-43.1175.7-178.7-103.6000111.9S710 L711 S712 E716 K717 C718S710-F714 WeakPolarHBondContact O-CB 3.43Å; S710-F714 PolarHBondContact O-N 2.84Å; L711-F714 PolarHBondContact O-N 3.42Å; S712-F714 PolarHBondContact O-N 3.42Å; F714-E716 VanDerWaalsContact C-N 3.32Å; F714-E716 PolarHBondContact O-N 3.26Å; F714-K717 WeakPolarHBondContact O-CB 3.24Å; F714-K717 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-SG 3.15Å
715K94.8Very high92.5Very high138 Ų138103 Ų10360%0.652%0.517SS*.Hα-helixtrans-61-39.6175.8-171.1177.2-174.7175.40112.3L711 S712 C718 K719L711-K715 WeakPolarHBondContact O-CB 3.3Å; L711-K715 PolarHBondContact O-N 3.49Å; S712-K715 PolarHBondContact O-N 2.99Å; K715-C718 PolarHBondContact O-N 3.23Å; K715-K719 WeakPolarHBondContact O-CG 3.32Å; K715-K719 PolarHBondContact O-N 2.91Å
716E94.2Very high92.4Very high127 Ų127103.9 Ų103.959%0.59352%0.519SS*.Hα-helixtrans-64.6-42.8175.2-161.972-166.800111.2S712 S713 F714 C718 K719 R720S712-E716 PolarHBondContact O-N 3.23Å; S713-E716 PolarHBondContact O-N 3.48Å; F714-E716 VanDerWaalsContact C-N 3.32Å; F714-E716 PolarHBondContact O-N 3.26Å; E716-C718 PolarHBondContact O-N 2.77Å; E716-K719 PolarHBondContact O-N 3.44Å; E716-R720 PolarHBondContact O-N 2.91Å
717K94.5Very high92.4Very high136 Ų136102.5 Ų102.559%0.59152%0.519SS*.Hα-helixtrans-61.9-42.1174.6-73.4180-179.1-179.20112.3S713 F714 R720 L721S713-K717 WeakPolarHBondContact O-CG 3.34Å; S713-K717 PolarHBondContact O-N 2.98Å; F714-K717 WeakPolarHBondContact O-CB 3.24Å; F714-K717 PolarHBondContact O-N 3.38Å; K717-R720 WeakPolarHBondContact O-CB 3.37Å; K717-R720 PolarHBondContact O-N 2.75Å; K717-L721 PolarHBondContact O-N 3.37Å
718C90.1Very high92Very high55 Ų55102.5 Ų102.537%0.37252%0.519SS..Hα-helixtrans-62.9-43.8175.7-71.80000111.9F714 K715 E716 R720 L721 E722F714-C718 PolarHBondContact O-N 3.38Å; F714-C718 PolarHBondContact O-SG 3.15Å; K715-C718 PolarHBondContact O-N 3.23Å; E716-C718 PolarHBondContact O-N 2.77Å; C718-R720 VanDerWaalsContact C-N 3.29Å; C718-R720 PolarHBondContact O-N 2.95Å; C718-L721 PolarHBondContact O-N 3.02Å; C718-E722 WeakPolarHBondContact O-CB 3.44Å; C718-E722 PolarHBondContact O-N 3.12Å
719K94.4Very high91.7Very high114 Ų114105.8 Ų105.850%0.49653%0.526SS..Hα-helixtrans-61.3-38173.9-75.9-178.9178.1179.80112.4K715 E716 E722 C723K715-K719 WeakPolarHBondContact O-CG 3.32Å; K715-K719 PolarHBondContact O-N 2.91Å; E716-K719 PolarHBondContact O-N 3.44Å; K719-E722 PolarHBondContact O-N 2.84Å; K719-C723 WeakPolarHBondContact O-CB 3.45Å; K719-C723 PolarHBondContact O-N 3.11Å
720R93.9Very high91.4Very high164 Ų164105.6 Ų105.662%0.61953%0.525SS*.Hα-helixtrans-64-48.4176.9-171.370.7-166-161.90.2111.2E716 K717 C718 E722 C723 D724E716-R720 PolarHBondContact O-N 2.91Å; K717-R720 WeakPolarHBondContact O-CB 3.37Å; K717-R720 PolarHBondContact O-N 2.75Å; C718-R720 VanDerWaalsContact C-N 3.29Å; C718-R720 PolarHBondContact O-N 2.95Å; R720-E722 VanDerWaalsContact C-N 3.3Å; R720-E722 PolarHBondContact O-N 3.49Å; R720-C723 WeakPolarHBondContact O-CB 3.31Å; R720-C723 PolarHBondContact O-N 3.32Å; R720-C723 VanDerWaalsContact O-N 3.15Å; R720-D724 IonicContact NE-OD1 3.2Å; R720-D724 VanDerWaalsContact O-CG 3.27Å; R720-D724 PolarHBondContact O-N 3.12Å
721L89.5Confident91.1Very high104 Ų104107 Ų10755%0.54552%0.522SS..Hα-helixtrans-60.9-37.8176-77.4167000112.5K717 C718 C723 D724 N725K717-L721 PolarHBondContact O-N 3.37Å; C718-L721 PolarHBondContact O-N 3.02Å; L721-C723 VanDerWaalsContact C-N 3.35Å; L721-D724 PolarHBondContact O-N 3.49Å; L721-N725 VanDerWaalsContact O-CB 3.31Å; L721-N725 WeakPolarHBondContact O-CB 3.48Å; L721-N725 VanDerWaalsContact O-CG 3.3Å; L721-N725 PolarHBondContact O-N 2.91Å; L721-N725 PolarHBondContact O-ND2 2.89Å
722E92.8Very high90.5Very high141 Ų141106.9 Ų106.966%0.65952%0.522SS*.Hα-helixtrans-65.4-38.7175.6-163.5169.6-147.700111.7C718 K719 R720 Q726C718-E722 WeakPolarHBondContact O-CB 3.44Å; C718-E722 PolarHBondContact O-N 3.12Å; K719-E722 PolarHBondContact O-N 2.84Å; R720-E722 VanDerWaalsContact C-N 3.3Å; R720-E722 PolarHBondContact O-N 3.49Å; E722-Q726 WeakPolarHBondContact O-CB 3.43Å; E722-Q726 PolarHBondContact O-N 3.34Å
723C91.3Very high89.9Confident80 Ų80105.3 Ų105.354%0.54151%0.512SS..Hα-helixtrans-67.7-44.9175-156.10000112K719 R720 L721 Q726 Q727K719-C723 WeakPolarHBondContact O-CB 3.45Å; K719-C723 PolarHBondContact O-N 3.11Å; R720-C723 WeakPolarHBondContact O-CB 3.31Å; R720-C723 PolarHBondContact O-N 3.32Å; R720-C723 VanDerWaalsContact O-N 3.15Å; L721-C723 VanDerWaalsContact C-N 3.35Å; C723-Q726 PolarHBondContact O-N 3.45Å; C723-Q727 WeakPolarHBondContact O-CB 3.47Å; C723-Q727 PolarHBondContact O-N 2.82Å
724D91.5Very high89.2Confident57 Ų57107.2 Ų107.231%0.30551%0.514SS..Hα-helixtrans-64.4-40.6177.8-63.9-15.8000110.8R720 L721 Q727 L728R720-D724 IonicContact NE-OD1 3.2Å; R720-D724 VanDerWaalsContact O-CG 3.27Å; R720-D724 PolarHBondContact O-N 3.12Å; L721-D724 PolarHBondContact O-N 3.49Å; D724-Q727 WeakPolarHBondContact O-CB 3.24Å; D724-Q727 PolarHBondContact O-N 3.45Å; D724-L728 WeakPolarHBondContact O-CG 3.47Å; D724-L728 PolarHBondContact O-N 3.44Å
725N88.4Confident87.6Confident85 Ų85104.7 Ų104.746%0.45551%0.511SS..Hα-helixtrans-63-43.9173.7-80.5-30000112.1L721 Q727 L728 Y729L721-N725 VanDerWaalsContact O-CB 3.31Å; L721-N725 WeakPolarHBondContact O-CB 3.48Å; L721-N725 VanDerWaalsContact O-CG 3.3Å; L721-N725 PolarHBondContact O-N 2.91Å; L721-N725 PolarHBondContact O-ND2 2.89Å; N725-Q727 VanDerWaalsContact C-N 3.25Å; N725-Q727 PolarHBondContact O-N 2.89Å; N725-L728 PolarHBondContact O-N 2.98Å; N725-Y729 WeakPolarHBondContact O-CD2 3.38Å; N725-Y729 PolarHBondContact O-N 3.37Å
726Q91Very high86.4Confident108 Ų108104 Ų10451%0.50551%0.51SS..Hα-helixtrans-61-39.1175.1-172.361.741.900111.1E722 C723 Y729 D730E722-Q726 WeakPolarHBondContact O-CB 3.43Å; E722-Q726 PolarHBondContact O-N 3.34Å; C723-Q726 PolarHBondContact O-N 3.45Å; Q726-Y729 PolarHBondContact O-N 2.93Å; Q726-D730 PolarHBondContact O-N 2.9Å
727Q91.8Very high85.2Confident109 Ų109105.1 Ų105.151%0.50951%0.509SS..Hα-helixtrans-66.4-39.5177.1-149.3176.115.100112C723 D724 N725 D730 Q731C723-Q727 WeakPolarHBondContact O-CB 3.47Å; C723-Q727 PolarHBondContact O-N 2.82Å; D724-Q727 WeakPolarHBondContact O-CB 3.24Å; D724-Q727 PolarHBondContact O-N 3.45Å; N725-Q727 VanDerWaalsContact C-N 3.25Å; N725-Q727 PolarHBondContact O-N 2.89Å; Q727-D730 PolarHBondContact O-N 3.45Å; Q727-Q731 WeakPolarHBondContact O-CB 3.44Å; Q727-Q731 VanDerWaalsContact O-CG 3.29Å; Q727-Q731 WeakPolarHBondContact O-CG 3.37Å; Q727-Q731 PolarHBondContact O-N 3.02Å
728L86.2Confident83.5Confident102 Ų102102.5 Ų102.553%0.53450%0.501SS..Hα-helixtrans-64.3-42.4172.3-73.4175.3000111.6D724 N725 D730 Q731 L732D724-L728 WeakPolarHBondContact O-CG 3.47Å; D724-L728 PolarHBondContact O-N 3.44Å; N725-L728 PolarHBondContact O-N 2.98Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 2.94Å; L728-Q731 PolarHBondContact O-N 3.49Å; L728-L732 WeakPolarHBondContact O-CB 3.26Å; L728-L732 PolarHBondContact O-N 3.45Å
729Y87.5Confident81.7Confident161 Ų161106.4 Ų106.463%0.63152%0.518SS*.Hα-helixtrans-61.7-41.1174.4-76.6-60.6000112.2N725 Q726 L732 A733N725-Y729 WeakPolarHBondContact O-CD2 3.38Å; N725-Y729 PolarHBondContact O-N 3.37Å; Q726-Y729 PolarHBondContact O-N 2.93Å; Y729-L732 PolarHBondContact O-N 3.25Å; Y729-A733 VanDerWaalsContact O-CB 3.3Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.42Å
730D86.9Confident79.7Confident91 Ų91110.1 Ų110.149%0.48753%0.534SS..Hα-helixtrans-67.1-39.6177.1-72.7-21.9000111.9Q726 Q727 L728 A733 H734Q726-D730 PolarHBondContact O-N 2.9Å; Q727-D730 PolarHBondContact O-N 3.45Å; L728-D730 VanDerWaalsContact C-N 3.33Å; L728-D730 PolarHBondContact O-N 2.94Å; D730-A733 PolarHBondContact O-N 2.94Å; D730-H734 WeakPolarHBondContact O-CB 3.44Å; D730-H734 PolarHBondContact O-N 3.14Å
731Q86Confident77.4Confident107 Ų107106.6 Ų106.650%0.554%0.535SS..Hα-helixtrans-64.3-44.9173.3-75.3178.127.100111.6Q727 L728 A733 H734 C735Q727-Q731 WeakPolarHBondContact O-CB 3.44Å; Q727-Q731 VanDerWaalsContact O-CG 3.29Å; Q727-Q731 WeakPolarHBondContact O-CG 3.37Å; Q727-Q731 PolarHBondContact O-N 3.02Å; L728-Q731 PolarHBondContact O-N 3.49Å; Q731-A733 VanDerWaalsContact C-N 3.32Å; Q731-A733 PolarHBondContact O-N 3.34Å; Q731-H734 CarbonylContact O-C 3.6Å; Q731-H734 WeakPolarHBondContact O-CA 3.44Å; Q731-H734 WeakPolarHBondContact O-CB 3.37Å; Q731-H734 PolarHBondContact O-N 2.99Å; Q731-C735 PolarHBondContact O-N 3.08Å
732L76.1Confident74.8Confident113 Ų113105.6 Ų105.659%0.59254%0.536SS*.Hα-helixtrans-62-43.7177.6-144.6111.4000110.5L728 Y729 H734 C735 E736L728-L732 WeakPolarHBondContact O-CB 3.26Å; L728-L732 PolarHBondContact O-N 3.45Å; Y729-L732 PolarHBondContact O-N 3.25Å; L732-H734 VanDerWaalsContact C-N 3.27Å; L732-H734 PolarHBondContact O-N 3.39Å; L732-C735 PolarHBondContact O-N 3.42Å; L732-E736 WeakPolarHBondContact O-CG 3.48Å; L732-E736 PolarHBondContact O-N 3.18Å
733A81.6Confident71.9Confident25 Ų25105.9 Ų105.921%0.20754%0.542CS..Hα-helixtrans-64.1-32.6173.900000112.1Y729 D730 Q731 R737Y729-A733 VanDerWaalsContact O-CB 3.3Å; Y729-A733 WeakPolarHBondContact O-CB 3.48Å; Y729-A733 PolarHBondContact O-N 3.42Å; D730-A733 PolarHBondContact O-N 2.94Å; Q731-A733 VanDerWaalsContact C-N 3.32Å; Q731-A733 PolarHBondContact O-N 3.34Å; A733-R737 WeakPolarHBondContact O-CB 3.41Å; A733-R737 WeakPolarHBondContact O-CG 3.49Å; A733-R737 PolarHBondContact O-N 2.93Å; A733-R737 PolarHBondContact O-NH1 3.49Å
734H77.1Confident69.3Low105 Ų105107.9 Ų107.949%0.48655%0.554SS.*Hα-helixtrans-70.4-44.5174.7-161.2-4000111.5D730 Q731 L732 E736 R737 N738D730-H734 WeakPolarHBondContact O-CB 3.44Å; D730-H734 PolarHBondContact O-N 3.14Å; Q731-H734 CarbonylContact O-C 3.6Å; Q731-H734 WeakPolarHBondContact O-CA 3.44Å; Q731-H734 WeakPolarHBondContact O-CB 3.37Å; Q731-H734 PolarHBondContact O-N 2.99Å; L732-H734 VanDerWaalsContact C-N 3.27Å; L732-H734 PolarHBondContact O-N 3.39Å; H734-E736 VanDerWaalsContact C-N 3.33Å; H734-E736 PolarHBondContact O-N 3.01Å; H734-R737 PolarHBondContact O-N 3.4Å; H734-N738 PolarHBondContact CE1-ND2 2.89Å; H734-N738 PolarHBondContact CE1-OD1 3.34Å; H734-N738 PolarHBondContact ND1-ND2 2.96Å; H734-N738 PolarHBondContact ND1-OD1 3.24Å; H734-N738 VanDerWaalsContact ND1-OD1 3.17Å; H734-N738 WeakPolarHBondContact O-CB 3.32Å; H734-N738 PolarHBondContact O-N 2.97Å; H734-N738 PolarHBondContact O-ND2 2.89Å; H734-N738 PolarHBondContact O-OD1 2.93Å
735C60.7Low66.4Low76 Ų76111.8 Ų111.851%0.51458%0.58SS.*Hα-helixtrans-57.7-45.6172.2-75.10000111Q731 L732 R737 N738 L739Q731-C735 PolarHBondContact O-N 3.08Å; L732-C735 PolarHBondContact O-N 3.42Å; C735-R737 PolarHBondContact O-N 3.18Å; C735-N738 PolarHBondContact O-N 2.91Å; C735-L739 WeakPolarHBondContact O-CB 3.48Å; C735-L739 WeakPolarHBondContact O-CD1 3.36Å; C735-L739 WeakPolarHBondContact O-CG 3.19Å; C735-L739 PolarHBondContact O-N 3.43Å
736E69.9Low63.7Low123 Ų123111 Ų11158%0.57559%0.593SS**Hα-helixtrans-61.9-42.4175.8-79.2-17015400112.5L732 H734 L739 K740L732-E736 WeakPolarHBondContact O-CG 3.48Å; L732-E736 PolarHBondContact O-N 3.18Å; H734-E736 VanDerWaalsContact C-N 3.33Å; H734-E736 PolarHBondContact O-N 3.01Å; E736-L739 PolarHBondContact O-N 2.97Å; E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 PolarHBondContact O-N 3.38Å
737R68.8Low60.8Low151 Ų151113.6 Ų113.657%0.5761%0.61SS**Hα-helixtrans-67.7-35.7175.9-75.3-176-147.392.2-5112.7A733 H734 C735 K740 S741A733-R737 WeakPolarHBondContact O-CB 3.41Å; A733-R737 WeakPolarHBondContact O-CG 3.49Å; A733-R737 PolarHBondContact O-N 2.93Å; A733-R737 PolarHBondContact O-NH1 3.49Å; H734-R737 PolarHBondContact O-N 3.4Å; C735-R737 PolarHBondContact O-N 3.18Å; R737-K740 PolarHBondContact O-N 3.37Å; R737-S741 WeakPolarHBondContact O-CB 3.24Å; R737-S741 PolarHBondContact O-N 3.22Å; R737-S741 PolarHBondContact O-OG 3.01Å
738N58.8Low58Low81 Ų81117.3 Ų117.343%0.43363%0.632SS.*Hα-helixtrans-67.4-45.3176.5-69.4-12.8000110H734 C735 K740 S741 S742H734-N738 PolarHBondContact CE1-ND2 2.89Å; H734-N738 PolarHBondContact CE1-OD1 3.34Å; H734-N738 PolarHBondContact ND1-ND2 2.96Å; H734-N738 PolarHBondContact ND1-OD1 3.24Å; H734-N738 VanDerWaalsContact ND1-OD1 3.17Å; H734-N738 WeakPolarHBondContact O-CB 3.32Å; H734-N738 PolarHBondContact O-N 2.97Å; H734-N738 PolarHBondContact O-ND2 2.89Å; H734-N738 PolarHBondContact O-OD1 2.93Å; C735-N738 PolarHBondContact O-N 2.91Å; N738-K740 VanDerWaalsContact C-N 3.29Å; N738-K740 PolarHBondContact O-N 3.32Å; N738-S741 PolarHBondContact O-N 2.9Å; N738-S741 PolarHBondContact O-OG 3.25Å; N738-S742 PolarHBondContact O-N 2.88Å; N738-S742 VanDerWaalsContact O-N 3.13Å; N738-S742 PolarHBondContact O-OG 3.4Å
739L51.2Low55.5Low137 Ų137121 Ų12172%0.71765%0.647SS**Hα-helixtrans-60.5-35.3172-80.8156000112.6C735 E736C735-L739 WeakPolarHBondContact O-CB 3.48Å; C735-L739 WeakPolarHBondContact O-CD1 3.36Å; C735-L739 WeakPolarHBondContact O-CG 3.19Å; C735-L739 PolarHBondContact O-N 3.43Å; E736-L739 PolarHBondContact O-N 2.97Å
740K52.9Low52.9Low193 Ų193121.9 Ų121.984%0.83966%0.661SS**Hα-helixtrans-77.8-24.5178.6-136.983176.8-167.60114E736 R737 N738E736-K740 WeakPolarHBondContact O-CB 3.42Å; E736-K740 PolarHBondContact O-N 3.38Å; R737-K740 PolarHBondContact O-N 3.37Å; N738-K740 VanDerWaalsContact C-N 3.29Å; N738-K740 PolarHBondContact O-N 3.32Å
741S45Very low50.8Low90 Ų90122 Ų12263%0.62967%0.668SS**Hα-helixtrans-101.7-13.9-173.360.60000114.3R737 N738 N743R737-S741 WeakPolarHBondContact O-CB 3.24Å; R737-S741 PolarHBondContact O-N 3.22Å; R737-S741 PolarHBondContact O-OG 3.01Å; N738-S741 PolarHBondContact O-N 2.9Å; N738-S741 PolarHBondContact O-OG 3.25Å; S741-N743 PolarHBondContact O-N 3.23Å; S741-N743 VanDerWaalsContact O-N 3.1Å
742S35.2Very low48.8Very low82 Ų82122.1 Ų122.157%0.57367%0.673SS**  trans-81.788.6171.660.40000110.9N738N738-S742 PolarHBondContact O-N 2.88Å; N738-S742 VanDerWaalsContact O-N 3.13Å; N738-S742 PolarHBondContact O-OG 3.4Å
743N32.1Very low47.6Very low148 Ų148122.5 Ų122.579%0.79168%0.675SS**  trans-58.4129.8162.1-95-46.4000109.3S741 T745S741-N743 PolarHBondContact O-N 3.23Å; S741-N743 VanDerWaalsContact O-N 3.1Å; N743-T745 PolarHBondContact O-N 2.9Å
744P37.1Very low46Very low122 Ų122127.5 Ų127.579%0.79269%0.693SS**SBendtrans-83.581.2-169.934-34000110.2
745T30.8Very low45.1Very low138 Ų138126.7 Ų126.785%0.84770%0.695SS**  trans-141.999.4169.2-47.20000110.3N743N743-T745 PolarHBondContact O-N 2.9Å
746G31.1Very low45Very low70 Ų70129.7 Ų129.772%0.72270%0.701SS**SBendtrans127.7100.2157.400000115.8
747N31.2Very low44.6Very low162 Ų162128.6 Ų128.687%0.86670%0.699SS**  trans56.595.1151.3-68.5-5000118.5Q749N747-Q749 PolarHBondContact O-N 2.92Å
748L31.8Very low44.4Very low186 Ų186121.8 Ų121.897%0.97467%0.674SS**  trans-58.4103158-81.685.8000109.6
749Q33.4Very low44.9Very low181 Ų181121.3 Ų121.385%0.84668%0.677SS**  trans-98.1126.2159.3-156.8168.8-1500106.3N747 S751N747-Q749 PolarHBondContact O-N 2.92Å; Q749-S751 PolarHBondContact O-N 3.31Å
750I34.3Very low45.9Very low178 Ų178119.3 Ų119.391%0.91367%0.667SS**  trans-45114.8-176.2-61.3143.4000110.1
751S41.3Very low46.9Very low93 Ų93110.2 Ų110.265%0.6563%0.628SS**  trans-123108.1-171.6-173.60000110.5Q749 D753Q749-S751 PolarHBondContact O-N 3.31Å; S751-D753 VanDerWaalsContact C-N 3.33Å; S751-D753 PolarHBondContact O-N 2.86Å
752D44.7Very low48.3Very low110 Ų110108.7 Ų108.759%0.58861%0.609SS**SBendtrans45.2-19.3145.3-68.9-17.3000124.5F754 V755 E756D752-F754 VanDerWaalsContact C-N 3.3Å; D752-F754 PolarHBondContact O-N 3.43Å; D752-V755 PolarHBondContact O-N 2.84Å; D752-E756 PolarHBondContact O-N 3.42Å
753D51Low50.3Low122 Ų122110.8 Ų110.865%0.65261%0.61SS**Hα-helixtrans-66.7-30.5-174.7-77.9-2.2000113.2S751 L757S751-D753 VanDerWaalsContact C-N 3.33Å; S751-D753 PolarHBondContact O-N 2.86Å; D753-L757 PolarHBondContact O-N 3.41Å
754F47.7Very low52.2Low129 Ų129107 Ų10757%0.56659%0.589SS**Hα-helixtrans-72.6-29.5178.5-167.4-99.7000112.8D752 S758D752-F754 VanDerWaalsContact C-N 3.3Å; D752-F754 PolarHBondContact O-N 3.43Å; F754-S758 WeakPolarHBondContact O-CB 3.44Å; F754-S758 PolarHBondContact O-N 3.13Å; F754-S758 PolarHBondContact O-OG 3.34Å
755V57.6Low53.8Low88 Ų88101.2 Ų101.253%0.53355%0.551SS.*Hα-helixtrans-77.9-35.7-178.6179.40000110.9D752 S759D752-V755 PolarHBondContact O-N 2.84Å; V755-S759 WeakPolarHBondContact O-CB 3.25Å; V755-S759 PolarHBondContact O-N 2.94Å; V755-S759 PolarHBondContact O-OG 3.37Å; V755-S759 VanDerWaalsContact O-OG 3.04Å
756E59.7Low56.1Low139 Ų13997 Ų9765%0.6553%0.525SS*.Hα-helixtrans-68.3-42.8176.7-72.4-166.2168.300112.2D752 S758 S759 L760D752-E756 PolarHBondContact O-N 3.42Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 2.74Å; E756-S759 PolarHBondContact O-N 3.22Å; E756-L760 WeakPolarHBondContact O-CB 3.48Å; E756-L760 PolarHBondContact O-N 2.88Å
757L60.1Low57.8Low100 Ų10098 Ų9852%0.52452%0.521SS..Hα-helixtrans-62-43.4176-82.2162.2000111.7D753 L760 A761D753-L757 PolarHBondContact O-N 3.41Å; L757-L760 PolarHBondContact O-N 2.8Å; L757-A761 WeakPolarHBondContact O-CB 3.37Å; L757-A761 PolarHBondContact O-N 3.43Å
758S65.8Low59.5Low8 Ų892.5 Ų92.56%0.05649%0.492CS..Hα-helixtrans-64.2-41.5176.6-59.60000111.5F754 E756 A761 Y762 W777F754-S758 WeakPolarHBondContact O-CB 3.44Å; F754-S758 PolarHBondContact O-N 3.13Å; F754-S758 PolarHBondContact O-OG 3.34Å; E756-S758 VanDerWaalsContact C-N 3.35Å; E756-S758 PolarHBondContact O-N 2.74Å; S758-A761 PolarHBondContact O-N 2.94Å; S758-Y762 PolarHBondContact O-N 3.4Å; S758-W777 WeakPolarHBondContact O-CH2 3.47Å; S758-W777 VanDerWaalsContact O-CZ2 3.3Å; S758-W777 WeakPolarHBondContact O-CZ2 3.26Å
759S69.6Low61.2Low71 Ų7186.6 Ų86.650%0.49746%0.461SS..Hα-helixtrans-66.1-40176.6-67.60000112.7V755 E756 Y762 Q763V755-S759 WeakPolarHBondContact O-CB 3.25Å; V755-S759 PolarHBondContact O-N 2.94Å; V755-S759 PolarHBondContact O-OG 3.37Å; V755-S759 VanDerWaalsContact O-OG 3.04Å; E756-S759 PolarHBondContact O-N 3.22Å; S759-Y762 PolarHBondContact O-N 3.27Å; S759-Q763 WeakPolarHBondContact O-CB 3.32Å; S759-Q763 PolarHBondContact O-N 3.32Å
760L71.9Confident63.1Low95 Ų9583.1 Ų83.150%0.49745%0.454SS..Hα-helixtrans-65.5-42.6175.6-176.765.4000110.8E756 L757 Q763 I764E756-L760 WeakPolarHBondContact O-CB 3.48Å; E756-L760 PolarHBondContact O-N 2.88Å; L757-L760 PolarHBondContact O-N 2.8Å; L760-Q763 WeakPolarHBondContact O-CB 3.36Å; L760-Q763 PolarHBondContact O-N 3.3Å; L760-I764 HydrophobicContact CG-CD1 4.1Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.45Å; L760-I764 PolarHBondContact O-N 2.93Å
761A74.4Confident64.6Low3 Ų382.7 Ų82.73%0.02545%0.448CS..Hα-helixtrans-60.1-46.3176.400000111.8L757 S758 Q763 I764 C765 W782L757-A761 WeakPolarHBondContact O-CB 3.37Å; L757-A761 PolarHBondContact O-N 3.43Å; S758-A761 PolarHBondContact O-N 2.94Å; A761-Q763 VanDerWaalsContact C-N 3.31Å; A761-Q763 PolarHBondContact O-N 2.99Å; A761-I764 PolarHBondContact O-N 3.19Å; A761-C765 PolarHBondContact O-N 3.17Å; A761-C765 PolarHBondContact O-SG 3.44Å; A761-W782 HydrophobicContact CB-CB 3.77Å; A761-W782 HydrophobicContact CB-CD2 3.37Å; A761-W782 HydrophobicContact CB-CE3 3.23Å; A761-W782 HydrophobicContact CB-CG 3.62Å; A761-W782 HydrophobicContact CB-CZ3 3.99Å
762Y73.8Confident65.7Low57 Ų5779.9 Ų79.922%0.22443%0.427CS..Hα-helixtrans-58-44.5173.2-176.9-110.4000111.8S758 S759 I764 C765 V766 E774 W777S758-Y762 PolarHBondContact O-N 3.4Å; S759-Y762 PolarHBondContact O-N 3.27Å; Y762-I764 VanDerWaalsContact C-N 3.29Å; Y762-I764 PolarHBondContact O-N 3.41Å; Y762-C765 PolarHBondContact O-N 3.48Å; Y762-V766 HydrophobicContact CD1-CG2 4.04Å; Y762-V766 HydrophobicContact CD2-CG2 4.08Å; Y762-V766 HydrophobicContact CE1-CG2 3.65Å; Y762-V766 HydrophobicContact CE2-CG2 3.7Å; Y762-V766 HydrophobicContact CG-CG2 4.25Å; Y762-V766 VanDerWaalsContact CZ-CG2 3.47Å; Y762-V766 WeakPolarHBondContact O-CB 3.4Å; Y762-V766 VanDerWaalsContact O-CG2 3.31Å; Y762-V766 WeakPolarHBondContact O-CG2 3.47Å; Y762-V766 PolarHBondContact O-N 3.32Å; Y762-E774 WeakPolarHBondContact OH-CB 3.47Å; Y762-E774 PolarHBondContact OH-N 2.85Å; Y762-W777 HydrophobicContact CD2-CB 4.08Å; Y762-W777 AromaticContact CD2-CD1 3.85Å; Y762-W777 AromaticContact CD2-CD2 3.43Å; Y762-W777 HydrophobicContact CD2-CD2 3.43Å; Y762-W777 VanDerWaalsContact CD2-CD2 3.43Å; Y762-W777 AromaticContact CD2-CE2 3.79Å; Y762-W777 AromaticContact CD2-CE3 3.82Å; Y762-W777 HydrophobicContact CD2-CE3 3.82Å; Y762-W777 AromaticContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CZ2 4.46Å; Y762-W777 HydrophobicContact CD2-CZ3 4.44Å; Y762-W777 HydrophobicContact CE2-CB 3.99Å; Y762-W777 HydrophobicContact CE2-CD2 4.19Å; Y762-W777 HydrophobicContact CE2-CE3 4.49Å; Y762-W777 AromaticContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CG-CD2 4.19Å; Y762-W777 HydrophobicContact CG-CE3 4.34Å
763Q76.1Confident66.6Low126 Ų12677.3 Ų77.359%0.58942%0.418SS*.Hα-helixtrans-62.9-36.3179-166172.58.700112.3S759 L760 A761 S767S759-Q763 WeakPolarHBondContact O-CB 3.32Å; S759-Q763 PolarHBondContact O-N 3.32Å; L760-Q763 WeakPolarHBondContact O-CB 3.36Å; L760-Q763 PolarHBondContact O-N 3.3Å; A761-Q763 VanDerWaalsContact C-N 3.31Å; A761-Q763 PolarHBondContact O-N 2.99Å; Q763-S767 VanDerWaalsContact O-CB 3.32Å; Q763-S767 WeakPolarHBondContact O-CB 3.34Å; Q763-S767 PolarHBondContact O-N 3.48Å; Q763-S767 VanDerWaalsContact O-N 3.11Å; Q763-S767 PolarHBondContact O-OG 2.91Å
764I73.1Confident67.1Low69 Ų6978.9 Ų78.935%0.35442%0.421SS..Hα-helixtrans-69.4-46.5173.9-63.2166000110.3L760 A761 Y762 V766 S767 L768 L786L760-I764 HydrophobicContact CG-CD1 4.1Å; L760-I764 VanDerWaalsContact O-CG1 3.3Å; L760-I764 WeakPolarHBondContact O-CG1 3.45Å; L760-I764 PolarHBondContact O-N 2.93Å; A761-I764 PolarHBondContact O-N 3.19Å; Y762-I764 VanDerWaalsContact C-N 3.29Å; Y762-I764 PolarHBondContact O-N 3.41Å; I764-V766 PolarHBondContact O-N 3Å; I764-S767 WeakPolarHBondContact O-CB 3.49Å; I764-S767 PolarHBondContact O-N 3.31Å; I764-S767 VanDerWaalsContact O-N 3.09Å; I764-L768 HydrophobicContact CG2-CD1 3.8Å; I764-L768 HydrophobicContact CG2-CG 4.34Å; I764-L768 WeakPolarHBondContact O-CG 3.27Å; I764-L768 PolarHBondContact O-N 3.41Å; I764-L786 HydrophobicContact CB-CD1 4.15Å; I764-L786 HydrophobicContact CG2-CD1 3.39Å
765C71.4Confident67.6Low0 Ų082.3 Ų82.30%044%0.436CS..Hα-helixtrans-59.9-46.7178.7-68.80000112.2A761 Y762 S767 L768 D769 V772 L789A761-C765 PolarHBondContact O-N 3.17Å; A761-C765 PolarHBondContact O-SG 3.44Å; Y762-C765 PolarHBondContact O-N 3.48Å; C765-S767 PolarHBondContact O-N 3.37Å; C765-L768 PolarHBondContact O-N 3.01Å; C765-L768 VanDerWaalsContact O-N 3.09Å; C765-D769 PolarHBondContact O-N 2.91Å; C765-V772 HydrophobicContact CB-CG1 4.5Å; C765-L789 HydrophobicContact CB-CD1 3.76Å
766V77.1Confident67.7Low49 Ų4986 Ų8630%0.29745%0.447SS..Hα-helixtrans-63.3-30.9175.1172.40000112.1Y762 I764 D769 P770Y762-V766 HydrophobicContact CD1-CG2 4.04Å; Y762-V766 HydrophobicContact CD2-CG2 4.08Å; Y762-V766 HydrophobicContact CE1-CG2 3.65Å; Y762-V766 HydrophobicContact CE2-CG2 3.7Å; Y762-V766 HydrophobicContact CG-CG2 4.25Å; Y762-V766 VanDerWaalsContact CZ-CG2 3.47Å; Y762-V766 WeakPolarHBondContact O-CB 3.4Å; Y762-V766 VanDerWaalsContact O-CG2 3.31Å; Y762-V766 WeakPolarHBondContact O-CG2 3.47Å; Y762-V766 PolarHBondContact O-N 3.32Å; I764-V766 PolarHBondContact O-N 3Å; V766-D769 CarbonylContact O-C 3.57Å; V766-P770 WeakPolarHBondContact O-CA 3.49Å
767S67.4Low67.7Low93 Ų9381 Ų8165%0.6542%0.422SS*.Hα-helixtrans-75.2-26.4175.7-60.40000112.8Q763 I764 C765Q763-S767 VanDerWaalsContact O-CB 3.32Å; Q763-S767 WeakPolarHBondContact O-CB 3.34Å; Q763-S767 PolarHBondContact O-N 3.48Å; Q763-S767 VanDerWaalsContact O-N 3.11Å; Q763-S767 PolarHBondContact O-OG 2.91Å; I764-S767 WeakPolarHBondContact O-CB 3.49Å; I764-S767 PolarHBondContact O-N 3.31Å; I764-S767 VanDerWaalsContact O-N 3.09Å; C765-S767 PolarHBondContact O-N 3.37Å
768L66.8Low68.1Low46 Ų4679.2 Ų79.224%0.24141%0.413CS..Hα-helixtrans-84.5-41.3-179.7-73.1167.6000112.1I764 C765 L786 L789 L790I764-L768 HydrophobicContact CG2-CD1 3.8Å; I764-L768 HydrophobicContact CG2-CG 4.34Å; I764-L768 WeakPolarHBondContact O-CG 3.27Å; I764-L768 PolarHBondContact O-N 3.41Å; C765-L768 PolarHBondContact O-N 3.01Å; C765-L768 VanDerWaalsContact O-N 3.09Å; L768-L786 HydrophobicContact CD1-CD1 3.48Å; L768-L786 VanDerWaalsContact CD1-CD1 3.48Å; L768-L789 HydrophobicContact CB-CB 4.28Å; L768-L789 HydrophobicContact CB-CD1 4.39Å; L768-L789 HydrophobicContact CD1-CB 4.29Å; L768-L790 HydrophobicContact CD1-CD2 4.06Å; L768-L790 HydrophobicContact CD1-CG 4.09Å; L768-L790 HydrophobicContact CD2-CD2 4.14Å
769D67.7Low68.3Low61 Ų6181.4 Ų81.433%0.32643%0.427SS..  trans-138.7111.7169-177.71.6000109.8C765 V766 E771 V772 L789C765-D769 PolarHBondContact O-N 2.91Å; V766-D769 CarbonylContact O-C 3.57Å; D769-E771 PolarHBondContact O-N 2.99Å; D769-E771 VanDerWaalsContact O-N 3.12Å; D769-E771 WeakPolarHBondContact OD1-CB 3.35Å; D769-E771 PolarHBondContact OD1-N 3.33Å; D769-V772 HydrophobicContact CB-CG2 4.13Å; D769-V772 WeakPolarHBondContact O-CG2 3.21Å; D769-V772 PolarHBondContact O-N 3Å; D769-L789 HydrophobicContact CB-CD2 3.42Å; D769-L789 VanDerWaalsContact CB-CD2 3.42Å
770P73.3Confident68.3Low109 Ų10983.6 Ų83.671%0.70843%0.433SS*.THydrogen-bonded Turntrans-67.6-7.3-179.926.4-32000113.9V766 V772V766-P770 WeakPolarHBondContact O-CA 3.49Å; P770-V772 VanDerWaalsContact C-N 3.34Å
771E66.4Low68.2Low169 Ų16982.7 Ų82.779%0.7943%0.429SS*.THydrogen-bonded Turntrans-82.5-7.9174.2-62.1-164.1170.400113.9D769 S773D769-E771 PolarHBondContact O-N 2.99Å; D769-E771 VanDerWaalsContact O-N 3.12Å; D769-E771 WeakPolarHBondContact OD1-CB 3.35Å; D769-E771 PolarHBondContact OD1-N 3.33Å; E771-S773 PolarHBondContact O-N 3.04Å
772V65Low68.3Low34 Ų3485.2 Ų85.221%0.20644%0.438CS..  trans-62.6101.4173.1179.30000109.4C765 D769 P770 L789C765-V772 HydrophobicContact CB-CG1 4.5Å; D769-V772 HydrophobicContact CB-CG2 4.13Å; D769-V772 WeakPolarHBondContact O-CG2 3.21Å; D769-V772 PolarHBondContact O-N 3Å; P770-V772 VanDerWaalsContact C-N 3.34Å; V772-L789 HydrophobicContact CG2-CD1 3.92Å; V772-L789 HydrophobicContact CG2-CD2 4.32Å
773S62.9Low68.5Low55 Ų5588.9 Ų88.939%0.38546%0.457SS..  trans-85.6139.5179.984.60000111.4E771 K775 E776 W777E771-S773 PolarHBondContact O-N 3.04Å; S773-K775 PolarHBondContact O-N 3.21Å; S773-E776 PolarHBondContact O-N 3.39Å; S773-E776 VanDerWaalsContact O-N 3.08Å; S773-W777 PolarHBondContact O-N 2.95Å
774E61.1Low68.5Low155 Ų15588 Ų8872%0.72446%0.455SS*.THydrogen-bonded Turntrans-54-16.8178-156.2-179.4-167.200113.9Y762Y762-E774 WeakPolarHBondContact OH-CB 3.47Å; Y762-E774 PolarHBondContact OH-N 2.85Å
775K59.1Low68.6Low201 Ų20187 Ų8787%0.87445%0.449SS*.THydrogen-bonded Turntrans-82.1-24.4-179.2-75.6-172.6177179.60114.4S773S773-K775 PolarHBondContact O-N 3.21Å
776E58.4Low68.8Low166 Ų16688.3 Ų88.378%0.77646%0.456SS*.THydrogen-bonded Turntrans-104.4-19.9179.8-76.6174.516700111.9S773 N778S773-E776 PolarHBondContact O-N 3.39Å; S773-E776 VanDerWaalsContact O-N 3.08Å; E776-N778 PolarHBondContact O-N 2.96Å
777W60Low68.6Low34 Ų3493 Ų9313%0.12947%0.473CS..  trans-66120.9176-172.873.9000111.7S758 Y762 S773 P779 W782 E785S758-W777 WeakPolarHBondContact O-CH2 3.47Å; S758-W777 VanDerWaalsContact O-CZ2 3.3Å; S758-W777 WeakPolarHBondContact O-CZ2 3.26Å; Y762-W777 HydrophobicContact CD2-CB 4.08Å; Y762-W777 AromaticContact CD2-CD1 3.85Å; Y762-W777 AromaticContact CD2-CD2 3.43Å; Y762-W777 HydrophobicContact CD2-CD2 3.43Å; Y762-W777 VanDerWaalsContact CD2-CD2 3.43Å; Y762-W777 AromaticContact CD2-CE2 3.79Å; Y762-W777 AromaticContact CD2-CE3 3.82Å; Y762-W777 HydrophobicContact CD2-CE3 3.82Å; Y762-W777 AromaticContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CG 3.5Å; Y762-W777 HydrophobicContact CD2-CZ2 4.46Å; Y762-W777 HydrophobicContact CD2-CZ3 4.44Å; Y762-W777 HydrophobicContact CE2-CB 3.99Å; Y762-W777 HydrophobicContact CE2-CD2 4.19Å; Y762-W777 HydrophobicContact CE2-CE3 4.49Å; Y762-W777 AromaticContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CE2-CG 3.93Å; Y762-W777 HydrophobicContact CG-CD2 4.19Å; Y762-W777 HydrophobicContact CG-CE3 4.34Å; S773-W777 PolarHBondContact O-N 2.95Å; W777-P779 HydrophobicContact CE3-CB 4.41Å; W777-P779 HydrophobicContact CE3-CG 3.97Å; W777-P779 HydrophobicContact CH2-CB 3.78Å; W777-P779 HydrophobicContact CH2-CG 4.18Å; W777-P779 HydrophobicContact CZ3-CB 3.66Å; W777-P779 HydrophobicContact CZ3-CG 3.52Å; W777-W782 HydrophobicContact CZ2-CB 3.81Å; W777-E785 PolarHBondContact NE1-OE2 2.85Å
778N68.6Low69.1Low62 Ų6292.4 Ų92.433%0.33247%0.465SS..  trans-98.9115.9173.9-173.813000109.9E776 D780 D781 W782 E785E776-N778 PolarHBondContact O-N 2.96Å; N778-D780 PolarHBondContact O-N 3.42Å; N778-D780 PolarHBondContact OD1-N 3.49Å; N778-D781 HydrophobicContact CB-CB 4.26Å; N778-D781 PolarHBondContact ND2-OD2 2.94Å; N778-D781 PolarHBondContact O-N 2.85Å; N778-W782 PolarHBondContact O-N 3.46Å; N778-E785 PolarHBondContact N-OE1 2.85Å
779P70.8Confident69.6Low54 Ų5491.8 Ų91.835%0.35146%0.462SS..THydrogen-bonded Turntrans-56.1-25.6178-17.223.6000113.9W777 W782W777-P779 HydrophobicContact CE3-CB 4.41Å; W777-P779 HydrophobicContact CE3-CG 3.97Å; W777-P779 HydrophobicContact CH2-CB 3.78Å; W777-P779 HydrophobicContact CH2-CG 4.18Å; W777-P779 HydrophobicContact CZ3-CB 3.66Å; W777-P779 HydrophobicContact CZ3-CG 3.52Å; P779-W782 VanDerWaalsContact O-CD1 3.26Å
780D69.8Low70Confident117 Ų11792.9 Ų92.963%0.62647%0.467SS*.THydrogen-bonded Turntrans-83.3-19.1-179-66.5-28.6000113.1N778N778-D780 PolarHBondContact O-N 3.42Å; N778-D780 PolarHBondContact OD1-N 3.49Å
781D68.2Low70.2Confident76 Ų7693.3 Ų93.341%0.40646%0.458SS..SBendtrans-11415.4-176.3-69.9-45.6000113.7N778 E783 I784 E785N778-D781 HydrophobicContact CB-CB 4.26Å; N778-D781 PolarHBondContact ND2-OD2 2.94Å; N778-D781 PolarHBondContact O-N 2.85Å; D781-E783 PolarHBondContact O-N 2.96Å; D781-I784 HydrophobicContact CB-CD1 4.41Å; D781-I784 WeakPolarHBondContact O-CB 3.38Å; D781-I784 PolarHBondContact O-N 2.93Å; D781-E785 PolarHBondContact O-N 3.18Å
782W77.2Confident70.4Confident57 Ų5790.9 Ų90.922%0.21645%0.451CS..Hα-helixtrans-53.8-30.4-174.170.3-91.1000114.6A761 W777 N778 P779 I784 L786A761-W782 HydrophobicContact CB-CB 3.77Å; A761-W782 HydrophobicContact CB-CD2 3.37Å; A761-W782 HydrophobicContact CB-CE3 3.23Å; A761-W782 HydrophobicContact CB-CG 3.62Å; A761-W782 HydrophobicContact CB-CZ3 3.99Å; W777-W782 HydrophobicContact CZ2-CB 3.81Å; N778-W782 PolarHBondContact O-N 3.46Å; P779-W782 VanDerWaalsContact O-CD1 3.26Å; W782-I784 VanDerWaalsContact C-N 3.3Å; W782-I784 PolarHBondContact O-N 2.91Å; W782-L786 HydrophobicContact CE3-CD2 4.36Å; W782-L786 HydrophobicContact CZ3-CD2 4.04Å; W782-L786 VanDerWaalsContact O-CB 3.25Å; W782-L786 WeakPolarHBondContact O-CB 3.44Å; W782-L786 PolarHBondContact O-N 2.92Å
783E78Confident70.7Confident134 Ų13496.2 Ų96.263%0.62647%0.467SS*.Hα-helixtrans-62.6-36.9176.6-74-173.6178.600111.9D781 F787D781-E783 PolarHBondContact O-N 2.96Å; E783-F787 VanDerWaalsContact O-CB 3.25Å; E783-F787 WeakPolarHBondContact O-CB 3.46Å; E783-F787 PolarHBondContact O-N 3.44Å
784I75.4Confident70.6Confident107 Ų10799.3 Ų99.355%0.54948%0.479SS..Hα-helixtrans-74.8-42.7-177.9-56175.6000110D781 W782 F787 T788D781-I784 HydrophobicContact CB-CD1 4.41Å; D781-I784 WeakPolarHBondContact O-CB 3.38Å; D781-I784 PolarHBondContact O-N 2.93Å; W782-I784 VanDerWaalsContact C-N 3.3Å; W782-I784 PolarHBondContact O-N 2.91Å; I784-F787 PolarHBondContact O-N 2.7Å; I784-T788 WeakPolarHBondContact O-CG2 3.49Å; I784-T788 PolarHBondContact O-N 3.32Å; I784-T788 PolarHBondContact O-OG1 3.39Å
785E75.8Confident70.6Confident48 Ų4896.1 Ų96.122%0.22447%0.467CS..Hα-helixtrans-66.2-40.3177.1-72.1161.1167.500111.3W777 N778 D781 T788 L789W777-E785 PolarHBondContact NE1-OE2 2.85Å; N778-E785 PolarHBondContact N-OE1 2.85Å; D781-E785 PolarHBondContact O-N 3.18Å; E785-T788 WeakPolarHBondContact CA-OG1 3.37Å; E785-T788 PolarHBondContact O-OG1 2.96Å; E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 VanDerWaalsContact O-CG 3.3Å; E785-L789 WeakPolarHBondContact O-CG 3.3Å; E785-L789 PolarHBondContact O-N 3.42Å; E785-L789 VanDerWaalsContact O-N 3.1Å
786L75.1Confident70.5Confident28 Ų2890.1 Ų90.115%0.14745%0.45CS..Hα-helixtrans-65.2-43174.2-174.368.7000112I764 L768 W782 L789 L790I764-L786 HydrophobicContact CB-CD1 4.15Å; I764-L786 HydrophobicContact CG2-CD1 3.39Å; L768-L786 HydrophobicContact CD1-CD1 3.48Å; L768-L786 VanDerWaalsContact CD1-CD1 3.48Å; W782-L786 HydrophobicContact CE3-CD2 4.36Å; W782-L786 HydrophobicContact CZ3-CD2 4.04Å; W782-L786 VanDerWaalsContact O-CB 3.25Å; W782-L786 WeakPolarHBondContact O-CB 3.44Å; W782-L786 PolarHBondContact O-N 2.92Å; L786-L789 PolarHBondContact O-N 2.99Å; L786-L790 HydrophobicContact CD1-CD1 4.43Å; L786-L790 HydrophobicContact CG-CD1 4.05Å; L786-L790 WeakPolarHBondContact O-CB 3.42Å; L786-L790 WeakPolarHBondContact O-CG 3.25Å; L786-L790 PolarHBondContact O-N 3.36Å
787F74.7Confident70.2Confident147 Ų14789.4 Ų89.465%0.64545%0.446SS*.Hα-helixtrans-65.9-38.1-179.8-166.8-89.4000112.1E783 I784 K791E783-F787 VanDerWaalsContact O-CB 3.25Å; E783-F787 WeakPolarHBondContact O-CB 3.46Å; E783-F787 PolarHBondContact O-N 3.44Å; I784-F787 PolarHBondContact O-N 2.7Å; F787-K791 HydrophobicContact CE1-CD 4.48Å; F787-K791 VanDerWaalsContact O-CB 3.24Å; F787-K791 WeakPolarHBondContact O-CB 3.43Å; F787-K791 PolarHBondContact O-N 3.37Å
788T77.2Confident69.5Low80 Ų8094.9 Ų94.949%0.49148%0.477SS..Hα-helixtrans-67.6-44.2176.444.90000112I784 E785 K791 D792I784-T788 WeakPolarHBondContact O-CG2 3.49Å; I784-T788 PolarHBondContact O-N 3.32Å; I784-T788 PolarHBondContact O-OG1 3.39Å; E785-T788 WeakPolarHBondContact CA-OG1 3.37Å; E785-T788 PolarHBondContact O-OG1 2.96Å; T788-K791 PolarHBondContact O-N 2.84Å; T788-D792 PolarHBondContact O-N 3.28Å
789L77.3Confident68.2Low33 Ų3397.6 Ų97.617%0.17350%0.496CS..Hα-helixtrans-61.9-43.3175.2-73.5168.3000113.1C765 L768 D769 V772 E785 L786 K791 R793C765-L789 HydrophobicContact CB-CD1 3.76Å; L768-L789 HydrophobicContact CB-CB 4.28Å; L768-L789 HydrophobicContact CB-CD1 4.39Å; L768-L789 HydrophobicContact CD1-CB 4.29Å; D769-L789 HydrophobicContact CB-CD2 3.42Å; D769-L789 VanDerWaalsContact CB-CD2 3.42Å; V772-L789 HydrophobicContact CG2-CD1 3.92Å; V772-L789 HydrophobicContact CG2-CD2 4.32Å; E785-L789 WeakPolarHBondContact O-CB 3.41Å; E785-L789 VanDerWaalsContact O-CG 3.3Å; E785-L789 WeakPolarHBondContact O-CG 3.3Å; E785-L789 PolarHBondContact O-N 3.42Å; E785-L789 VanDerWaalsContact O-N 3.1Å; L786-L789 PolarHBondContact O-N 2.99Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.07Å; L789-R793 PolarHBondContact O-N 2.94Å
790L76.3Confident66.8Low84 Ų84102.8 Ų102.844%0.4452%0.516SS..Hα-helixtrans-65.8-36.4176.4-75.9169.5000111.9L768 L786 R793 L794L768-L790 HydrophobicContact CD1-CD2 4.06Å; L768-L790 HydrophobicContact CD1-CG 4.09Å; L768-L790 HydrophobicContact CD2-CD2 4.14Å; L786-L790 HydrophobicContact CD1-CD1 4.43Å; L786-L790 HydrophobicContact CG-CD1 4.05Å; L786-L790 WeakPolarHBondContact O-CB 3.42Å; L786-L790 WeakPolarHBondContact O-CG 3.25Å; L786-L790 PolarHBondContact O-N 3.36Å; L790-R793 PolarHBondContact O-N 3.25Å; L790-L794 PolarHBondContact O-N 2.87Å
791K76.6Confident65.7Low119 Ų119102.3 Ų102.352%0.51752%0.518SS..Hα-helixtrans-68.2-45.7179.9-173.9170178.3-174.70112.2F787 T788 L789 R793 L794 D795F787-K791 HydrophobicContact CE1-CD 4.48Å; F787-K791 VanDerWaalsContact O-CB 3.24Å; F787-K791 WeakPolarHBondContact O-CB 3.43Å; F787-K791 PolarHBondContact O-N 3.37Å; T788-K791 PolarHBondContact O-N 2.84Å; L789-K791 VanDerWaalsContact C-N 3.31Å; L789-K791 PolarHBondContact O-N 3.07Å; K791-R793 PolarHBondContact O-N 2.94Å; K791-L794 PolarHBondContact O-N 3.23Å; K791-L794 VanDerWaalsContact O-N 3.14Å; K791-D795 PolarHBondContact O-N 2.94Å
792D70.4Confident64.6Low118 Ų118105.7 Ų105.763%0.63154%0.535SS*.Hα-helixtrans-61.7-35.2176.8-106.819000112T788 S796T788-D792 PolarHBondContact O-N 3.28Å; D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.06Å; D792-S796 PolarHBondContact O-N 2.87Å; D792-S796 PolarHBondContact O-OG 2.93Å
793R71.4Confident63.4Low146 Ų146110.7 Ų110.755%0.55157%0.566SS**Hα-helixtrans-69.3-40.7174.3-172.9162.7175.9152.1-2.5112.6L789 L790 K791 D795 S796 E797L789-R793 PolarHBondContact O-N 2.94Å; L790-R793 PolarHBondContact O-N 3.25Å; K791-R793 PolarHBondContact O-N 2.94Å; R793-D795 VanDerWaalsContact C-N 3.34Å; R793-S796 PolarHBondContact O-N 3.21Å; R793-E797 WeakPolarHBondContact O-CB 3.44Å; R793-E797 PolarHBondContact O-N 3.14Å
794L62.5Low61.8Low120 Ų120110.1 Ų110.163%0.62856%0.564SS**Hα-helixtrans-64.9-40176.6-136.988.8000111.6L790 K791L790-L794 PolarHBondContact O-N 2.87Å; K791-L794 PolarHBondContact O-N 3.23Å; K791-L794 VanDerWaalsContact O-N 3.14Å
795D60Low60.7Low88 Ų88107.4 Ų107.447%0.47155%0.554SS.*Hα-helixtrans-73.3-31177.4-72.2-28.8000111.5K791 R793 L798K791-D795 PolarHBondContact O-N 2.94Å; R793-D795 VanDerWaalsContact C-N 3.34Å; D795-L798 WeakPolarHBondContact O-CB 3.44Å; D795-L798 PolarHBondContact O-N 3.25Å
796S57.2Low60.2Low74 Ų74113.2 Ų113.252%0.51758%0.581SS.*Hα-helixtrans-70.7-38.4174.7-640000112.9D792 R793 L798 T799D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.06Å; D792-S796 PolarHBondContact O-N 2.87Å; D792-S796 PolarHBondContact O-OG 2.93Å; R793-S796 PolarHBondContact O-N 3.21Å; S796-L798 PolarHBondContact O-N 2.94Å; S796-L798 VanDerWaalsContact O-N 3.12Å; S796-T799 PolarHBondContact O-N 3.15Å; S796-T799 VanDerWaalsContact O-N 3.09Å; S796-T799 PolarHBondContact O-OG1 3.4Å
797E50.9Low59.8Low151 Ų151114.7 Ų114.771%0.70659%0.594SS**G310 helixtrans-66.8-11.1177.7-150.6161.1-151.600112.3R793 T799R793-E797 WeakPolarHBondContact O-CB 3.44Å; R793-E797 PolarHBondContact O-N 3.14Å; E797-T799 VanDerWaalsContact C-N 3.28Å; E797-T799 PolarHBondContact O-N 3.34Å
798L45.3Very low59.3Low149 Ų149111.8 Ų111.878%0.7859%0.589SS**G310 helixtrans-76.1-6.1171.5-122.396.4000114.5D795 S796D795-L798 WeakPolarHBondContact O-CB 3.44Å; D795-L798 PolarHBondContact O-N 3.25Å; S796-L798 PolarHBondContact O-N 2.94Å; S796-L798 VanDerWaalsContact O-N 3.12Å
799T42.9Very low59.2Low119 Ų119112.5 Ų112.573%0.7359%0.593SS**G310 helixtrans-117.54.4-172.2610000116.4S796 E797S796-T799 PolarHBondContact O-N 3.15Å; S796-T799 VanDerWaalsContact O-N 3.09Å; S796-T799 PolarHBondContact O-OG1 3.4Å; E797-T799 VanDerWaalsContact C-N 3.28Å; E797-T799 PolarHBondContact O-N 3.34Å
800E41.6Very low59.2Low164 Ų164118.4 Ų118.477%0.76662%0.617SS**SBendtrans-105.6112.1175.7-79.6-168.2164.400113.9
801T46.2Very low59Low107 Ų107119 Ų11966%0.65662%0.62SS**  trans79.6102.9152.468.40000118.9D803T801-D803 PolarHBondContact O-N 3.04Å
802D45.8Very low59Low146 Ų146117 Ų11778%0.78162%0.62SS**THydrogen-bonded Turntrans-60.56.6-176-132-9000117S805D802-S805 VanDerWaalsContact C-OG 3.28Å; D802-S805 PolarHBondContact O-OG 3.4Å
803D50.1Low59.2Low162 Ų162114.2 Ų114.287%0.86661%0.614SS**THydrogen-bonded Turntrans-116.4-6.7-174.1-76.3-32.8000114.5T801T801-D803 PolarHBondContact O-N 3.04Å
804Q45.8Very low59.7Low122 Ų122112.8 Ų112.857%0.5761%0.614SS**SBendtrans-94.4-1169.6-71.4-81.2-28.500112.6E806 S807 V808Q804-E806 VanDerWaalsContact C-N 3.3Å; Q804-E806 PolarHBondContact O-N 3.02Å; Q804-S807 PolarHBondContact O-N 3.29Å; Q804-S807 VanDerWaalsContact O-N 3.16Å; Q804-V808 HydrophobicContact CB-CG2 4.27Å; Q804-V808 WeakPolarHBondContact O-CG2 3.35Å; Q804-V808 PolarHBondContact O-N 3.04Å
805S51.8Low60.7Low50 Ų50110.6 Ų110.635%0.3561%0.605SS.*Hα-helixtrans-52.8-41.7-171.6-40.50000112.9D802 V809D802-S805 VanDerWaalsContact C-OG 3.28Å; D802-S805 PolarHBondContact O-OG 3.4Å; S805-V809 WeakPolarHBondContact O-CB 3.34Å; S805-V809 WeakPolarHBondContact O-CG2 3.29Å; S805-V809 PolarHBondContact O-N 2.9Å
806E64.2Low61.8Low170 Ų170109 Ų10979%0.79461%0.605SS**Hα-helixtrans-71.4-39-176.7-160.6176.6-171.100112.5Q804 K810Q804-E806 VanDerWaalsContact C-N 3.3Å; Q804-E806 PolarHBondContact O-N 3.02Å; E806-K810 WeakPolarHBondContact O-CB 3.49Å; E806-K810 PolarHBondContact O-N 3.02Å
807S67.4Low63.2Low60 Ų60107.9 Ų107.942%0.4260%0.599SS.*Hα-helixtrans-67.8-46.3175.7169.40000111.3Q804 K810 L811Q804-S807 PolarHBondContact O-N 3.29Å; Q804-S807 VanDerWaalsContact O-N 3.16Å; S807-K810 PolarHBondContact O-N 2.95Å; S807-L811 WeakPolarHBondContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CG 3.22Å; S807-L811 PolarHBondContact O-N 3.37Å
808V65.1Low64.8Low86 Ų86105.6 Ų105.652%0.52159%0.592SS.*Hα-helixtrans-67.6-40-179.8177.60000110.9Q804 S812Q804-V808 HydrophobicContact CB-CG2 4.27Å; Q804-V808 WeakPolarHBondContact O-CG2 3.35Å; Q804-V808 PolarHBondContact O-N 3.04Å; V808-S812 WeakPolarHBondContact O-CB 3.35Å; V808-S812 PolarHBondContact O-N 3.48Å
809V73.5Confident66.8Low95 Ų95107.5 Ų107.558%0.57659%0.588SS**Hα-helixtrans-64.7-40.8174.11700000110.8S805 S812 A813S805-V809 WeakPolarHBondContact O-CB 3.34Å; S805-V809 WeakPolarHBondContact O-CG2 3.29Å; S805-V809 PolarHBondContact O-N 2.9Å; V809-S812 PolarHBondContact O-N 3.39Å; V809-A813 VanDerWaalsContact O-CB 3.3Å; V809-A813 WeakPolarHBondContact O-CB 3.49Å; V809-A813 PolarHBondContact O-N 3.45Å
810K77.4Confident69.2Low156 Ų156106 Ų10668%0.67858%0.576SS**Hα-helixtrans-67.3-44.5178.3-162.2173.9-172.5177.90112.1E806 S807 A813 E814E806-K810 WeakPolarHBondContact O-CB 3.49Å; E806-K810 PolarHBondContact O-N 3.02Å; S807-K810 PolarHBondContact O-N 2.95Å; K810-A813 PolarHBondContact O-N 2.89Å; K810-E814 WeakPolarHBondContact O-CB 3.42Å; K810-E814 PolarHBondContact O-N 3.41Å
811L72.1Confident71.5Confident98 Ų98102.9 Ų102.951%0.51356%0.563SS.*Hα-helixtrans-66-38173.6-73.5170.4000111.8S807 E814 V815S807-L811 WeakPolarHBondContact O-CB 3.3Å; S807-L811 WeakPolarHBondContact O-CG 3.22Å; S807-L811 PolarHBondContact O-N 3.37Å; L811-E814 PolarHBondContact O-N 2.9Å; L811-V815 WeakPolarHBondContact O-CB 3.23Å; L811-V815 VanDerWaalsContact O-CG2 3.23Å; L811-V815 WeakPolarHBondContact O-CG2 3.22Å; L811-V815 PolarHBondContact O-N 3.27Å
812S77.5Confident73.5Confident75 Ų75103 Ų10352%0.52456%0.559SS.*Hα-helixtrans-64.7-41175.2-177.50000111.6V808 V809 A816V808-S812 WeakPolarHBondContact O-CB 3.35Å; V808-S812 PolarHBondContact O-N 3.48Å; V809-S812 PolarHBondContact O-N 3.39Å; S812-A816 VanDerWaalsContact O-CB 3.27Å; S812-A816 WeakPolarHBondContact O-CB 3.48Å; S812-A816 PolarHBondContact O-N 3.47Å
813A74.7Confident75.6Confident60 Ų6099.4 Ų99.450%0.49655%0.546SS..Hα-helixtrans-65.6-40.9174.800000111.5V809 K810 A816 A817V809-A813 VanDerWaalsContact O-CB 3.3Å; V809-A813 WeakPolarHBondContact O-CB 3.49Å; V809-A813 PolarHBondContact O-N 3.45Å; K810-A813 PolarHBondContact O-N 2.89Å; A813-A816 PolarHBondContact O-N 3.38Å; A813-A817 WeakPolarHBondContact O-CB 3.46Å; A813-A817 PolarHBondContact O-N 2.83Å
814E82.2Confident77.6Confident116 Ų11695.8 Ų95.854%0.54252%0.524SS..Hα-helixtrans-67.7-41.9176.5-171.2167.2-178.500112.1K810 L811 A816 A817 L818K810-E814 WeakPolarHBondContact O-CB 3.42Å; K810-E814 PolarHBondContact O-N 3.41Å; L811-E814 PolarHBondContact O-N 2.9Å; E814-A816 VanDerWaalsContact C-N 3.34Å; E814-A816 PolarHBondContact O-N 3.41Å; E814-A817 PolarHBondContact O-N 3.47Å; E814-L818 WeakPolarHBondContact O-CB 3.38Å; E814-L818 WeakPolarHBondContact O-CG 3.43Å; E814-L818 PolarHBondContact O-N 3.33Å
815V83.9Confident79.7Confident74 Ų7495.2 Ų95.245%0.44852%0.521SS..Hα-helixtrans-64.5-38.4173.9170.60000111.2L811 L818 R819L811-V815 WeakPolarHBondContact O-CB 3.23Å; L811-V815 VanDerWaalsContact O-CG2 3.23Å; L811-V815 WeakPolarHBondContact O-CG2 3.22Å; L811-V815 PolarHBondContact O-N 3.27Å; V815-L818 PolarHBondContact O-N 2.85Å; V815-R819 WeakPolarHBondContact O-CB 3.46Å; V815-R819 WeakPolarHBondContact O-CG 3.38Å; V815-R819 PolarHBondContact O-N 2.7Å
816A81.9Confident81.4Confident56 Ų5695.7 Ų95.746%0.46352%0.521SS..Hα-helixtrans-64.6-43.3173.900000111.6S812 A813 E814 R819 D820S812-A816 VanDerWaalsContact O-CB 3.27Å; S812-A816 WeakPolarHBondContact O-CB 3.48Å; S812-A816 PolarHBondContact O-N 3.47Å; A813-A816 PolarHBondContact O-N 3.38Å; E814-A816 VanDerWaalsContact C-N 3.34Å; E814-A816 PolarHBondContact O-N 3.41Å; A816-R819 PolarHBondContact O-N 3.16Å; A816-D820 PolarHBondContact O-N 3.08Å
817A87.4Confident82.6Confident49 Ų4991.4 Ų91.441%0.40551%0.507SS..Hα-helixtrans-63-42.217500000111.9A813 E814 D820 I821A813-A817 WeakPolarHBondContact O-CB 3.46Å; A813-A817 PolarHBondContact O-N 2.83Å; E814-A817 PolarHBondContact O-N 3.47Å; A817-D820 PolarHBondContact O-N 2.91Å; A817-I821 WeakPolarHBondContact O-CB 3.41Å; A817-I821 VanDerWaalsContact O-CG1 3.26Å; A817-I821 WeakPolarHBondContact O-CG1 3.35Å; A817-I821 PolarHBondContact O-N 3.09Å
818L84.6Confident83.8Confident104 Ų10495.1 Ų95.155%0.54552%0.516SS..Hα-helixtrans-65.5-38.6175.6-73.4173.7000112.3E814 V815 L822E814-L818 WeakPolarHBondContact O-CB 3.38Å; E814-L818 WeakPolarHBondContact O-CG 3.43Å; E814-L818 PolarHBondContact O-N 3.33Å; V815-L818 PolarHBondContact O-N 2.85Å; L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.89Å
819R87.8Confident85.1Confident189 Ų18996.9 Ų96.971%0.71351%0.513SS*.Hα-helixtrans-64-41173.2-78.7-176.2-175.7-161.13.3111.7V815 A816 L822 S823V815-R819 WeakPolarHBondContact O-CB 3.46Å; V815-R819 WeakPolarHBondContact O-CG 3.38Å; V815-R819 PolarHBondContact O-N 2.7Å; A816-R819 PolarHBondContact O-N 3.16Å; R819-L822 PolarHBondContact O-N 2.87Å; R819-S823 VanDerWaalsContact O-CB 3.3Å; R819-S823 WeakPolarHBondContact O-CB 3.43Å; R819-S823 PolarHBondContact O-N 3.15Å
820D91.4Very high85.9Confident86 Ų8694.5 Ų94.546%0.4650%0.499SS..Hα-helixtrans-66.9-46.5176.9-172.652.4000111.6A816 A817 L822 S823 Q824A816-D820 PolarHBondContact O-N 3.08Å; A817-D820 PolarHBondContact O-N 2.91Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.32Å; D820-S823 WeakPolarHBondContact O-CB 3.36Å; D820-S823 PolarHBondContact O-N 3.13Å; D820-S823 VanDerWaalsContact O-N 3.13Å; D820-Q824 WeakPolarHBondContact O-CB 3.47Å; D820-Q824 WeakPolarHBondContact O-CG 3.4Å; D820-Q824 PolarHBondContact O-N 3.47Å; D820-Q824 PolarHBondContact OD2-NE2 3.4Å
821I89.7Confident86.5Confident99 Ų9991.2 Ų91.251%0.50849%0.486SS..Hα-helixtrans-58.1-43.1173.9-68.8165.3000110.9A817 Q824 H825A817-I821 WeakPolarHBondContact O-CB 3.41Å; A817-I821 VanDerWaalsContact O-CG1 3.26Å; A817-I821 WeakPolarHBondContact O-CG1 3.35Å; A817-I821 PolarHBondContact O-N 3.09Å; I821-Q824 PolarHBondContact O-N 3.09Å; I821-H825 VanDerWaalsContact O-CB 3.29Å; I821-H825 WeakPolarHBondContact O-CB 3.24Å; I821-H825 PolarHBondContact O-N 3.06Å
822L89.1Confident87.4Confident110 Ų11089.3 Ų89.358%0.57649%0.485SS*.Hα-helixtrans-66.6-38.2177.7-173.964.4000111.9L818 R819 D820 T826L818-L822 VanDerWaalsContact O-CB 3.24Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.89Å; R819-L822 PolarHBondContact O-N 2.87Å; D820-L822 VanDerWaalsContact C-N 3.3Å; D820-L822 PolarHBondContact O-N 3.32Å; L822-T826 WeakPolarHBondContact O-CB 3.29Å; L822-T826 PolarHBondContact O-N 2.95Å; L822-T826 PolarHBondContact O-OG1 2.83Å
823S90.6Very high88.1Confident70 Ų7090.2 Ų90.249%0.4948%0.481SS..Hα-helixtrans-61.7-50.7173.1-173.70000110.7R819 D820 H825 T826 T827R819-S823 VanDerWaalsContact O-CB 3.3Å; R819-S823 WeakPolarHBondContact O-CB 3.43Å; R819-S823 PolarHBondContact O-N 3.15Å; D820-S823 WeakPolarHBondContact O-CB 3.36Å; D820-S823 PolarHBondContact O-N 3.13Å; D820-S823 VanDerWaalsContact O-N 3.13Å; S823-H825 PolarHBondContact O-N 3.5Å; S823-T826 CarbonylContact O-C 3.56Å; S823-T826 WeakPolarHBondContact O-CA 3.36Å; S823-T826 WeakPolarHBondContact O-CB 3.14Å; S823-T826 PolarHBondContact O-N 3.03Å; S823-T826 VanDerWaalsContact O-N 3.09Å; S823-T827 PolarHBondContact O-N 2.97Å; S823-T827 PolarHBondContact O-OG1 3.06Å
824Q91.7Very high88.9Confident87 Ų8794.2 Ų94.241%0.40748%0.483SS..Hα-helixtrans-57.5-47.5176-71.2-175.645.800111.6D820 I821 T826 T827 F828D820-Q824 WeakPolarHBondContact O-CB 3.47Å; D820-Q824 WeakPolarHBondContact O-CG 3.4Å; D820-Q824 PolarHBondContact O-N 3.47Å; D820-Q824 PolarHBondContact OD2-NE2 3.4Å; I821-Q824 PolarHBondContact O-N 3.09Å; Q824-T826 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact C-OG1 3.28Å; Q824-T827 WeakPolarHBondContact CA-OG1 3.35Å; Q824-T827 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact O-N 3.15Å; Q824-T827 PolarHBondContact O-OG1 3.24Å; Q824-F828 HydrophobicContact CB-CD2 4.47Å; Q824-F828 HydrophobicContact CB-CE2 4.33Å; Q824-F828 WeakPolarHBondContact O-CD2 3.44Å; Q824-F828 PolarHBondContact O-N 3.48Å
825H90.1Very high89.4Confident110 Ų11092.9 Ų92.951%0.50948%0.48SS..Hα-helixtrans-64.4-31178.4-157-63.7000112.2I821 S823 R829I821-H825 VanDerWaalsContact O-CB 3.29Å; I821-H825 WeakPolarHBondContact O-CB 3.24Å; I821-H825 PolarHBondContact O-N 3.06Å; S823-H825 PolarHBondContact O-N 3.5Å; H825-R829 VanDerWaalsContact O-CB 3.27Å; H825-R829 WeakPolarHBondContact O-CB 3.29Å; H825-R829 PolarHBondContact O-N 3.37Å
826T87.2Confident89.8Confident59 Ų5994.1 Ų94.136%0.36248%0.483SS..Hα-helixtrans-72.2-41.6173.2-58.50000111.1L822 S823 Q824 R829 T830L822-T826 WeakPolarHBondContact O-CB 3.29Å; L822-T826 PolarHBondContact O-N 2.95Å; L822-T826 PolarHBondContact O-OG1 2.83Å; S823-T826 CarbonylContact O-C 3.56Å; S823-T826 WeakPolarHBondContact O-CA 3.36Å; S823-T826 WeakPolarHBondContact O-CB 3.14Å; S823-T826 PolarHBondContact O-N 3.03Å; S823-T826 VanDerWaalsContact O-N 3.09Å; Q824-T826 PolarHBondContact O-N 3.34Å; T826-R829 PolarHBondContact O-N 2.99Å; T826-T830 WeakPolarHBondContact O-CG2 3.32Å; T826-T830 PolarHBondContact O-N 2.86Å; T826-T830 PolarHBondContact O-OG1 3.36Å; T826-T830 VanDerWaalsContact O-OG1 3.08Å
827T90.3Very high90.4Very high80 Ų8098.3 Ų98.349%0.49149%0.491SS..Hα-helixtrans-63.6-41.9172.640.80000112.5S823 Q824 T830 Q831S823-T827 PolarHBondContact O-N 2.97Å; S823-T827 PolarHBondContact O-OG1 3.06Å; Q824-T827 VanDerWaalsContact C-OG1 3.28Å; Q824-T827 WeakPolarHBondContact CA-OG1 3.35Å; Q824-T827 PolarHBondContact O-N 3.34Å; Q824-T827 VanDerWaalsContact O-N 3.15Å; Q824-T827 PolarHBondContact O-OG1 3.24Å; T827-T830 PolarHBondContact O-N 2.95Å; T827-T830 PolarHBondContact O-OG1 3.2Å; T827-Q831 VanDerWaalsContact O-CB 3.29Å; T827-Q831 WeakPolarHBondContact O-CB 3.4Å; T827-Q831 PolarHBondContact O-N 3.02Å
828F92.3Very high90.7Very high139 Ų139102.1 Ų102.161%0.6150%0.5SS*.Hα-helixtrans-64.2-43.4174.8-75.4-60.4000112Q824 Q831 A832Q824-F828 HydrophobicContact CB-CD2 4.47Å; Q824-F828 HydrophobicContact CB-CE2 4.33Å; Q824-F828 WeakPolarHBondContact O-CD2 3.44Å; Q824-F828 PolarHBondContact O-N 3.48Å; F828-Q831 PolarHBondContact O-N 3.39Å; F828-A832 WeakPolarHBondContact O-CB 3.42Å; F828-A832 PolarHBondContact O-N 3.48Å
829R91.4Very high91.1Very high123 Ų123101.9 Ų101.946%0.46450%0.499SS..Hα-helixtrans-59.7-50.2175.5-176.2-173.1-65.3119.8-1111.3H825 T826 Q831 A832 E833H825-R829 VanDerWaalsContact O-CB 3.27Å; H825-R829 WeakPolarHBondContact O-CB 3.29Å; H825-R829 PolarHBondContact O-N 3.37Å; T826-R829 PolarHBondContact O-N 2.99Å; R829-Q831 VanDerWaalsContact C-N 3.32Å; R829-Q831 PolarHBondContact O-N 3.39Å; R829-A832 PolarHBondContact O-N 3.46Å; R829-E833 WeakPolarHBondContact O-CG 3.39Å; R829-E833 PolarHBondContact O-N 3.5Å
830T89.9Confident91.3Very high45 Ų4597.8 Ų97.828%0.27649%0.49SS..Hα-helixtrans-66-34.1-179.957.40000112.5T826 T827 R834T826-T830 WeakPolarHBondContact O-CG2 3.32Å; T826-T830 PolarHBondContact O-N 2.86Å; T826-T830 PolarHBondContact O-OG1 3.36Å; T826-T830 VanDerWaalsContact O-OG1 3.08Å; T827-T830 PolarHBondContact O-N 2.95Å; T827-T830 PolarHBondContact O-OG1 3.2Å; T830-R834 WeakPolarHBondContact O-CG 3.39Å; T830-R834 PolarHBondContact O-N 2.87Å; T830-R834 PolarHBondContact O-NH1 3.27Å
831Q91.7Very high91.4Very high86 Ų8699.8 Ų99.840%0.40250%0.495SS..Hα-helixtrans-65.8-48.2173.1-176.555.839.700111.4T827 F828 R829 E833 R834 D835T827-Q831 VanDerWaalsContact O-CB 3.29Å; T827-Q831 WeakPolarHBondContact O-CB 3.4Å; T827-Q831 PolarHBondContact O-N 3.02Å; F828-Q831 PolarHBondContact O-N 3.39Å; R829-Q831 VanDerWaalsContact C-N 3.32Å; R829-Q831 PolarHBondContact O-N 3.39Å; Q831-E833 VanDerWaalsContact C-N 3.28Å; Q831-E833 PolarHBondContact O-N 2.93Å; Q831-R834 WeakPolarHBondContact O-CB 3.41Å; Q831-R834 PolarHBondContact O-N 2.77Å; Q831-D835 VanDerWaalsContact NE2-CG 3.27Å; Q831-D835 PolarHBondContact NE2-OD1 2.97Å; Q831-D835 PolarHBondContact NE2-OD2 2.97Å; Q831-D835 PolarHBondContact O-N 3.3Å
832A90.2Very high91.6Very high59 Ų5997.9 Ų97.949%0.48849%0.488SS..Hα-helixtrans-59.8-38.3176.100000112.2F828 R829 D835 L836F828-A832 WeakPolarHBondContact O-CB 3.42Å; F828-A832 PolarHBondContact O-N 3.48Å; R829-A832 PolarHBondContact O-N 3.46Å; A832-D835 PolarHBondContact O-N 2.84Å; A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.47Å; A832-L836 PolarHBondContact O-N 3.15Å
833E91.7Very high91.8Very high94 Ų9495.7 Ų95.744%0.43948%0.476SS..Hα-helixtrans-64.7-38.1173.5-75.9176.2-162.700112.8R829 Q831 K837R829-E833 WeakPolarHBondContact O-CG 3.39Å; R829-E833 PolarHBondContact O-N 3.5Å; Q831-E833 VanDerWaalsContact C-N 3.28Å; Q831-E833 PolarHBondContact O-N 2.93Å; E833-K837 WeakPolarHBondContact O-CB 3.3Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.24Å; E833-K837 PolarHBondContact O-N 3.31Å
834R91.1Very high91.8Very high143 Ų14397 Ų9754%0.5448%0.475SS..Hα-helixtrans-66.9-45.7174.3-73.7-172.4-15889.63.6111.6T830 Q831 L836 K837 H838T830-R834 WeakPolarHBondContact O-CG 3.39Å; T830-R834 PolarHBondContact O-N 2.87Å; T830-R834 PolarHBondContact O-NH1 3.27Å; Q831-R834 WeakPolarHBondContact O-CB 3.41Å; Q831-R834 PolarHBondContact O-N 2.77Å; R834-L836 VanDerWaalsContact C-N 3.31Å; R834-L836 PolarHBondContact O-N 3.29Å; R834-K837 PolarHBondContact O-N 2.86Å; R834-H838 WeakPolarHBondContact O-CB 3.37Å; R834-H838 PolarHBondContact O-N 3.44Å
835D93.2Very high91.9Very high89 Ų8996.8 Ų96.848%0.47648%0.476SS..Hα-helixtrans-63.3-40.5179.4-66.4-24.5000111Q831 A832 H838 L839Q831-D835 VanDerWaalsContact NE2-CG 3.27Å; Q831-D835 PolarHBondContact NE2-OD1 2.97Å; Q831-D835 PolarHBondContact NE2-OD2 2.97Å; Q831-D835 PolarHBondContact O-N 3.3Å; A832-D835 PolarHBondContact O-N 2.84Å; D835-H838 PolarHBondContact O-N 2.86Å; D835-L839 WeakPolarHBondContact O-CB 3.36Å; D835-L839 PolarHBondContact O-N 2.88Å
836L92.3Very high92.1Very high100 Ų10096.7 Ų96.752%0.52448%0.476SS..Hα-helixtrans-64.4-42.4174.3-176.861.6000112.3A832 R834 H838 L839 L840A832-L836 VanDerWaalsContact O-CB 3.27Å; A832-L836 WeakPolarHBondContact O-CB 3.47Å; A832-L836 PolarHBondContact O-N 3.15Å; R834-L836 VanDerWaalsContact C-N 3.31Å; R834-L836 PolarHBondContact O-N 3.29Å; L836-H838 VanDerWaalsContact C-N 3.32Å; L836-H838 PolarHBondContact O-N 3.44Å; L836-L839 PolarHBondContact O-N 2.82Å; L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.48Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 2.92Å
837K93.8Very high92.2Very high143 Ų14398.7 Ų98.762%0.62248%0.481SS*.Hα-helixtrans-61.6-40.7173.9-77172.5-177.3174.70111.6E833 R834 L840 F841E833-K837 WeakPolarHBondContact O-CB 3.3Å; E833-K837 VanDerWaalsContact O-CG 3.25Å; E833-K837 WeakPolarHBondContact O-CG 3.24Å; E833-K837 PolarHBondContact O-N 3.31Å; R834-K837 PolarHBondContact O-N 2.86Å; K837-L840 PolarHBondContact O-N 2.92Å; K837-F841 WeakPolarHBondContact O-CB 3.3Å; K837-F841 PolarHBondContact O-N 3.4Å
838H93.7Very high92.3Very high130 Ų13098.7 Ų98.760%0.60248%0.478SS*.Hα-helixtrans-66.5-38.9178-154.7-63.2000111.8R834 D835 L836 T842R834-H838 WeakPolarHBondContact O-CB 3.37Å; R834-H838 PolarHBondContact O-N 3.44Å; D835-H838 PolarHBondContact O-N 2.86Å; L836-H838 VanDerWaalsContact C-N 3.32Å; L836-H838 PolarHBondContact O-N 3.44Å; H838-T842 PolarHBondContact O-N 3.45Å; H838-T842 PolarHBondContact O-OG1 3.13Å
839L94Very high92.3Very high98 Ų9897.8 Ų97.851%0.51348%0.477SS..Hα-helixtrans-65.6-46.2174.6-175.565.7000111.5D835 L836 F841 T842 I843D835-L839 WeakPolarHBondContact O-CB 3.36Å; D835-L839 PolarHBondContact O-N 2.88Å; L836-L839 PolarHBondContact O-N 2.82Å; L839-F841 VanDerWaalsContact C-N 3.34Å; L839-F841 PolarHBondContact O-N 2.99Å; L839-T842 WeakPolarHBondContact O-CB 3.15Å; L839-T842 PolarHBondContact O-N 2.97Å; L839-I843 HydrophobicContact CD1-CD1 4.46Å; L839-I843 HydrophobicContact CG-CD1 4.05Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.39Å
840L92.5Very high92.3Very high104 Ų10496.6 Ų96.655%0.54548%0.479SS..Hα-helixtrans-60.3-42.1176.2-77.6167.4000112L836 K837 T842 I843 Q844L836-L840 HydrophobicContact CG-CD1 4.22Å; L836-L840 WeakPolarHBondContact O-CB 3.48Å; L836-L840 WeakPolarHBondContact O-CG 3.48Å; L836-L840 PolarHBondContact O-N 2.92Å; K837-L840 PolarHBondContact O-N 2.92Å; L840-T842 VanDerWaalsContact C-N 3.33Å; L840-T842 PolarHBondContact O-N 3.21Å; L840-I843 PolarHBondContact O-N 3.38Å; L840-Q844 WeakPolarHBondContact O-CB 3.44Å; L840-Q844 PolarHBondContact O-N 3.48Å
841F93.7Very high92.3Very high128 Ų12898.4 Ų98.456%0.56149%0.487SS*.Hα-helixtrans-62.4-40.4175-177.1-98.9000112.2K837 L839 Q844 N845K837-F841 WeakPolarHBondContact O-CB 3.3Å; K837-F841 PolarHBondContact O-N 3.4Å; L839-F841 VanDerWaalsContact C-N 3.34Å; L839-F841 PolarHBondContact O-N 2.99Å; F841-Q844 PolarHBondContact O-N 3.45Å; F841-N845 WeakPolarHBondContact CE1-ND2 3.29Å; F841-N845 PolarHBondContact O-N 3.31Å
842T93.7Very high92.4Very high58 Ų58101.5 Ų101.536%0.35650%0.499SS..Hα-helixtrans-65.4-43.6176.9-530000111.3H838 L839 L840 Q844 N845 Q846H838-T842 PolarHBondContact O-N 3.45Å; H838-T842 PolarHBondContact O-OG1 3.13Å; L839-T842 WeakPolarHBondContact O-CB 3.15Å; L839-T842 PolarHBondContact O-N 2.97Å; L840-T842 VanDerWaalsContact C-N 3.33Å; L840-T842 PolarHBondContact O-N 3.21Å; T842-Q844 VanDerWaalsContact C-N 3.35Å; T842-N845 PolarHBondContact O-N 2.88Å; T842-Q846 WeakPolarHBondContact O-CG 3.25Å; T842-Q846 PolarHBondContact O-N 3.49Å
843I92.4Very high92.3Very high64 Ų64103.6 Ų103.633%0.32850%0.502SS..Hα-helixtrans-62.9-41.7175.8-68.8168.3000110.7L839 L840 Q846 H847L839-I843 HydrophobicContact CD1-CD1 4.46Å; L839-I843 HydrophobicContact CG-CD1 4.05Å; L839-I843 WeakPolarHBondContact O-CG1 3.46Å; L839-I843 PolarHBondContact O-N 3.39Å; L840-I843 PolarHBondContact O-N 3.38Å; I843-Q846 WeakPolarHBondContact O-CB 3.45Å; I843-Q846 PolarHBondContact O-N 3.23Å; I843-H847 PolarHBondContact O-N 3.44Å
844Q91.5Very high92.3Very high97 Ų97105.6 Ų105.645%0.45351%0.509SS..Hα-helixtrans-59.8-48176.4-176.660.534.500111.5L840 F841 T842 Q846 H847 D848L840-Q844 WeakPolarHBondContact O-CB 3.44Å; L840-Q844 PolarHBondContact O-N 3.48Å; F841-Q844 PolarHBondContact O-N 3.45Å; T842-Q844 VanDerWaalsContact C-N 3.35Å; Q844-Q846 VanDerWaalsContact C-N 3.27Å; Q844-Q846 PolarHBondContact O-N 3.36Å; Q844-H847 PolarHBondContact O-N 2.88Å; Q844-H847 VanDerWaalsContact O-N 3.15Å; Q844-D848 PolarHBondContact NE2-OD1 3.31Å; Q844-D848 VanDerWaalsContact O-CG 3.31Å; Q844-D848 PolarHBondContact O-N 3.35Å
845N92.5Very high92.2Very high83 Ų83104.9 Ų104.944%0.44451%0.513SS..Hα-helixtrans-60.4-36.5175.8-86.9-12.2000112.7F841 T842 M849F841-N845 WeakPolarHBondContact CE1-ND2 3.29Å; F841-N845 PolarHBondContact O-N 3.31Å; T842-N845 PolarHBondContact O-N 2.88Å; N845-M849 WeakPolarHBondContact O-CB 3.33Å; N845-M849 PolarHBondContact O-N 3.45Å
846Q94Very high92.1Very high109 Ų109105.7 Ų105.751%0.50951%0.514SS..Hα-helixtrans-66-42.9175.1-73.4178.4-36.600111.6T842 I843 Q844 M849 I850T842-Q846 WeakPolarHBondContact O-CG 3.25Å; T842-Q846 PolarHBondContact O-N 3.49Å; I843-Q846 WeakPolarHBondContact O-CB 3.45Å; I843-Q846 PolarHBondContact O-N 3.23Å; Q844-Q846 VanDerWaalsContact C-N 3.27Å; Q844-Q846 PolarHBondContact O-N 3.36Å; Q846-M849 PolarHBondContact O-N 2.97Å; Q846-I850 VanDerWaalsContact O-CG1 3.28Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.47Å
847H91.3Very high92Very high101 Ų101107 Ų10747%0.46852%0.516SS..Hα-helixtrans-62.2-45.7174.6-72.9149.9000112.1I843 Q844 M849 I850 D851I843-H847 PolarHBondContact O-N 3.44Å; Q844-H847 PolarHBondContact O-N 2.88Å; Q844-H847 VanDerWaalsContact O-N 3.15Å; H847-M849 VanDerWaalsContact C-N 3.25Å; H847-M849 PolarHBondContact O-N 2.88Å; H847-I850 PolarHBondContact O-N 3.27Å; H847-I850 VanDerWaalsContact O-N 3.13Å; H847-D851 PolarHBondContact O-N 3.42Å
848D92.4Very high91.7Very high80 Ų80106.3 Ų106.343%0.42852%0.515SS..Hα-helixtrans-60.1-37.9178-66-19.7000111.5Q844 D851 K852Q844-D848 PolarHBondContact NE2-OD1 3.31Å; Q844-D848 VanDerWaalsContact O-CG 3.31Å; Q844-D848 PolarHBondContact O-N 3.35Å; D848-D851 PolarHBondContact O-N 2.93Å; D848-K852 WeakPolarHBondContact O-CB 3.3Å; D848-K852 PolarHBondContact O-N 2.99Å
849M91.5Very high91.2Very high119 Ų119106.9 Ų106.959%0.58652%0.518SS*.Hα-helixtrans-70.2-39.5175.8-174.6151.254.500112.6N845 Q846 H847 D851 K852 L853N845-M849 WeakPolarHBondContact O-CB 3.33Å; N845-M849 PolarHBondContact O-N 3.45Å; Q846-M849 PolarHBondContact O-N 2.97Å; H847-M849 VanDerWaalsContact C-N 3.25Å; H847-M849 PolarHBondContact O-N 2.88Å; M849-D851 VanDerWaalsContact C-N 3.34Å; M849-K852 WeakPolarHBondContact O-CB 3.33Å; M849-K852 PolarHBondContact O-N 3.28Å; M849-L853 HydrophobicContact CG-CD1 4.49Å; M849-L853 WeakPolarHBondContact O-CG 3.36Å; M849-L853 PolarHBondContact O-N 2.93Å
850I90.5Very high90.5Very high99 Ų99107.3 Ų107.351%0.50852%0.52SS..Hα-helixtrans-61.9-43.8173.4-71.4165.3000110.3Q846 H847 K852 L853 K854Q846-I850 VanDerWaalsContact O-CG1 3.28Å; Q846-I850 WeakPolarHBondContact O-CG1 3.42Å; Q846-I850 PolarHBondContact O-N 3.47Å; H847-I850 PolarHBondContact O-N 3.27Å; H847-I850 VanDerWaalsContact O-N 3.13Å; I850-K852 VanDerWaalsContact C-N 3.34Å; I850-K852 PolarHBondContact O-N 3.18Å; I850-L853 PolarHBondContact O-N 2.87Å; I850-K854 VanDerWaalsContact O-CB 3.28Å; I850-K854 WeakPolarHBondContact O-CB 3.27Å; I850-K854 PolarHBondContact O-N 3.24Å
851D91.3Very high90Very high83 Ų83107.3 Ų107.344%0.44452%0.517SS..Hα-helixtrans-65.7-37.1177.6-79.7-24000112H847 D848 M849 K854 M855H847-D851 PolarHBondContact O-N 3.42Å; D848-D851 PolarHBondContact O-N 2.93Å; M849-D851 VanDerWaalsContact C-N 3.34Å; D851-K854 PolarHBondContact O-N 3.35Å; D851-M855 PolarHBondContact O-N 2.96Å
852K93.5Very high89.1Confident151 Ų151105.1 Ų105.166%0.65752%0.518SS*.Hα-helixtrans-61.2-48.1172.5-160-174.2-162.8-1480111.8D848 M849 I850 K854 M855 E856D848-K852 WeakPolarHBondContact O-CB 3.3Å; D848-K852 PolarHBondContact O-N 2.99Å; M849-K852 WeakPolarHBondContact O-CB 3.33Å; M849-K852 PolarHBondContact O-N 3.28Å; I850-K852 VanDerWaalsContact C-N 3.34Å; I850-K852 PolarHBondContact O-N 3.18Å; K852-K854 VanDerWaalsContact C-N 3.3Å; K852-K854 PolarHBondContact O-N 3.01Å; K852-M855 PolarHBondContact O-N 2.87Å; K852-E856 WeakPolarHBondContact O-CB 3.4Å; K852-E856 PolarHBondContact O-N 3.38Å
853L88.7Confident88.2Confident103 Ų103106.2 Ų106.254%0.53952%0.524SS..Hα-helixtrans-64.1-36.4177-72.3171.6000111.9M849 I850 E856 K857M849-L853 HydrophobicContact CG-CD1 4.49Å; M849-L853 WeakPolarHBondContact O-CG 3.36Å; M849-L853 PolarHBondContact O-N 2.93Å; I850-L853 PolarHBondContact O-N 2.87Å; L853-E856 PolarHBondContact O-N 3.31Å; L853-K857 WeakPolarHBondContact O-CB 3.49Å; L853-K857 PolarHBondContact O-N 3.17Å
854K91.7Very high86.8Confident136 Ų136108.2 Ų108.259%0.59154%0.535SS*.Hα-helixtrans-66.1-42.4176-171.7-178.5177.5-174.90111.6I850 D851 K852 Q858I850-K854 VanDerWaalsContact O-CB 3.28Å; I850-K854 WeakPolarHBondContact O-CB 3.27Å; I850-K854 PolarHBondContact O-N 3.24Å; D851-K854 PolarHBondContact O-N 3.35Å; K852-K854 VanDerWaalsContact C-N 3.3Å; K852-K854 PolarHBondContact O-N 3.01Å; K854-Q858 WeakPolarHBondContact O-CB 3.35Å; K854-Q858 PolarHBondContact O-N 3.04Å
855M89Confident85.5Confident128 Ų128106.7 Ų106.763%0.63154%0.535SS*.Hα-helixtrans-63-45172.7-98.6-169.2-77.800111.7D851 K852 K857 Q858 Q859D851-M855 PolarHBondContact O-N 2.96Å; K852-M855 PolarHBondContact O-N 2.87Å; M855-K857 VanDerWaalsContact C-N 3.34Å; M855-K857 PolarHBondContact O-N 2.82Å; M855-Q858 PolarHBondContact O-N 3.39Å; M855-Q858 VanDerWaalsContact O-N 3.14Å; M855-Q859 WeakPolarHBondContact O-CB 3.3Å; M855-Q859 PolarHBondContact O-N 3.17Å
856E90.2Very high83.9Confident106 Ų106104.5 Ų104.550%0.49553%0.532SS..Hα-helixtrans-63.2-41.4179.6-165.1172.4-166.300111.4K852 L853 Q858 Q859 L860K852-E856 WeakPolarHBondContact O-CB 3.4Å; K852-E856 PolarHBondContact O-N 3.38Å; L853-E856 PolarHBondContact O-N 3.31Å; E856-Q858 PolarHBondContact O-N 3.44Å; E856-Q859 WeakPolarHBondContact O-CB 3.07Å; E856-Q859 PolarHBondContact O-N 3.17Å; E856-L860 WeakPolarHBondContact O-CG 3.35Å; E856-L860 PolarHBondContact O-N 3.3Å
857K89.7Confident82Confident126 Ų126105.3 Ų105.355%0.54854%0.537SS..Hα-helixtrans-57.3-47.9170.3177.5-174.5166.8-176.70111.7L853 M855 Q859 L860 E861L853-K857 WeakPolarHBondContact O-CB 3.49Å; L853-K857 PolarHBondContact O-N 3.17Å; M855-K857 VanDerWaalsContact C-N 3.34Å; M855-K857 PolarHBondContact O-N 2.82Å; K857-Q859 VanDerWaalsContact C-N 3.28Å; K857-Q859 PolarHBondContact O-N 2.99Å; K857-L860 PolarHBondContact O-N 3.45Å; K857-E861 WeakPolarHBondContact CE-OE1 3.37Å; K857-E861 IonicContact NZ-OE1 3.83Å; K857-E861 WeakPolarHBondContact O-CG 3.4Å; K857-E861 PolarHBondContact O-N 3.3Å
858Q88.3Confident80.1Confident130 Ų130107.3 Ų107.361%0.60755%0.547SS*.Hα-helixtrans-65.7-34-179.2-159.3175.67.400111.8K854 M855 E856 S862K854-Q858 WeakPolarHBondContact O-CB 3.35Å; K854-Q858 PolarHBondContact O-N 3.04Å; M855-Q858 PolarHBondContact O-N 3.39Å; M855-Q858 VanDerWaalsContact O-N 3.14Å; E856-Q858 PolarHBondContact O-N 3.44Å; Q858-S862 WeakPolarHBondContact O-CB 3.49Å; Q858-S862 PolarHBondContact O-N 3.44Å
859Q82.9Confident78.2Confident141 Ų141107.7 Ų107.766%0.65956%0.556SS**Hα-helixtrans-65.5-44173.1-134.3-178.59.100111.4M855 E856 K857 S862 V863M855-Q859 WeakPolarHBondContact O-CB 3.3Å; M855-Q859 PolarHBondContact O-N 3.17Å; E856-Q859 WeakPolarHBondContact O-CB 3.07Å; E856-Q859 PolarHBondContact O-N 3.17Å; K857-Q859 VanDerWaalsContact C-N 3.28Å; K857-Q859 PolarHBondContact O-N 2.99Å; Q859-S862 WeakPolarHBondContact O-CB 3.5Å; Q859-S862 PolarHBondContact O-N 2.98Å; Q859-V863 WeakPolarHBondContact O-CG2 3.41Å; Q859-V863 PolarHBondContact O-N 3.02Å
860L79.2Confident76.2Confident108 Ų108110.6 Ų110.657%0.56557%0.565SS**Hα-helixtrans-64.3-42.5175.6-73.1166.5000112.1E856 K857 S862 V863 L864E856-L860 WeakPolarHBondContact O-CG 3.35Å; E856-L860 PolarHBondContact O-N 3.3Å; K857-L860 PolarHBondContact O-N 3.45Å; L860-S862 VanDerWaalsContact C-N 3.31Å; L860-S862 PolarHBondContact O-N 2.89Å; L860-V863 PolarHBondContact O-N 2.8Å; L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.88Å
861E81.8Confident73.6Confident103 Ų103116.2 Ų116.248%0.48158%0.58SS.*Hα-helixtrans-61.7-39174.7-75.7175.8173.700111.7K857 L864 S865K857-E861 WeakPolarHBondContact CE-OE1 3.37Å; K857-E861 IonicContact NZ-OE1 3.83Å; K857-E861 WeakPolarHBondContact O-CG 3.4Å; K857-E861 PolarHBondContact O-N 3.3Å; E861-L864 PolarHBondContact O-N 3.31Å; E861-S865 WeakPolarHBondContact O-CB 3.12Å; E861-S865 PolarHBondContact O-N 3.38Å
862S75.9Confident71Confident82 Ų82117.6 Ų117.657%0.57359%0.592SS**Hα-helixtrans-63.7-44.1173.6171.40000112.5Q858 Q859 L860 S865 G866Q858-S862 WeakPolarHBondContact O-CB 3.49Å; Q858-S862 PolarHBondContact O-N 3.44Å; Q859-S862 WeakPolarHBondContact O-CB 3.5Å; Q859-S862 PolarHBondContact O-N 2.98Å; L860-S862 VanDerWaalsContact C-N 3.31Å; L860-S862 PolarHBondContact O-N 2.89Å; S862-S865 PolarHBondContact O-N 3.33Å; S862-G866 PolarHBondContact O-N 2.92Å
863V73.1Confident68.4Low82 Ų82115.8 Ų115.850%0.49760%0.595SS.*Hα-helixtrans-64.2-42.3177.6171.90000110.8Q859 L860 G866 M867Q859-V863 WeakPolarHBondContact O-CG2 3.41Å; Q859-V863 PolarHBondContact O-N 3.02Å; L860-V863 PolarHBondContact O-N 2.8Å; V863-G866 PolarHBondContact O-N 3.34Å; V863-M867 HydrophobicContact CG1-SD 3.8Å; V863-M867 VanDerWaalsContact O-CG 3.32Å; V863-M867 WeakPolarHBondContact O-CG 3.3Å; V863-M867 PolarHBondContact O-N 3.43Å
864L63.6Low65.8Low105 Ų105118.2 Ų118.255%0.5561%0.607SS.*Hα-helixtrans-59.6-48.1174.8-96.5150.9000112.2L860 E861 G866 M867 E868L860-L864 WeakPolarHBondContact O-CB 3.42Å; L860-L864 PolarHBondContact O-N 2.88Å; E861-L864 PolarHBondContact O-N 3.31Å; L864-G866 VanDerWaalsContact C-N 3.32Å; L864-G866 PolarHBondContact O-N 2.88Å; L864-M867 WeakPolarHBondContact O-CB 3.48Å; L864-M867 PolarHBondContact O-N 2.85Å; L864-M867 VanDerWaalsContact O-N 3.14Å; L864-E868 PolarHBondContact O-N 2.91Å
865S63.7Low63Low66 Ų66117.6 Ų117.646%0.46262%0.615SS.*Hα-helixtrans-64.9-36.1177.9-170.70000112.4E861 S862 M867 E868 S869E861-S865 WeakPolarHBondContact O-CB 3.12Å; E861-S865 PolarHBondContact O-N 3.38Å; S862-S865 PolarHBondContact O-N 3.33Å; S865-M867 VanDerWaalsContact C-N 3.34Å; S865-M867 PolarHBondContact O-N 3.23Å; S865-E868 PolarHBondContact O-N 2.91Å; S865-S869 WeakPolarHBondContact O-CB 3.36Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.45Å
866G59.5Low60.3Low37 Ų37116.6 Ų116.638%0.38162%0.616SS.*Hα-helixtrans-65.2-34.5172.700000113.4S862 V863 L864 K870S862-G866 PolarHBondContact O-N 2.92Å; V863-G866 PolarHBondContact O-N 3.34Å; L864-G866 VanDerWaalsContact C-N 3.32Å; L864-G866 PolarHBondContact O-N 2.88Å; G866-K870 PolarHBondContact O-N 3.42Å
867M53.8Low57.3Low125 Ų125116.5 Ų116.562%0.61662%0.623SS**Hα-helixtrans-72-38.1175.1-73.3163.870.800112V863 L864 S865 K870V863-M867 HydrophobicContact CG1-SD 3.8Å; V863-M867 VanDerWaalsContact O-CG 3.32Å; V863-M867 WeakPolarHBondContact O-CG 3.3Å; V863-M867 PolarHBondContact O-N 3.43Å; L864-M867 WeakPolarHBondContact O-CB 3.48Å; L864-M867 PolarHBondContact O-N 2.85Å; L864-M867 VanDerWaalsContact O-N 3.14Å; S865-M867 VanDerWaalsContact C-N 3.34Å; S865-M867 PolarHBondContact O-N 3.23Å; M867-K870 PolarHBondContact O-N 3.49Å
868E51.6Low54.7Low144 Ų144116.9 Ų116.967%0.67363%0.63SS**Hα-helixtrans-65.4-38.8173.7-76.6-175.9151.300112L864 S865 K870 R871L864-E868 PolarHBondContact O-N 2.91Å; S865-E868 PolarHBondContact O-N 2.91Å; E868-K870 VanDerWaalsContact C-N 3.25Å; E868-K870 PolarHBondContact O-N 2.99Å; E868-R871 PolarHBondContact O-N 3.27Å; E868-R871 VanDerWaalsContact O-N 3.17Å
869S53.1Low51.8Low88 Ų88117.4 Ų117.462%0.61564%0.637SS**Hα-helixtrans-68.3-20.8179.8-56.30000113.9S865S865-S869 WeakPolarHBondContact O-CB 3.36Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.45Å
870K49.6Very low49.5Very low179 Ų179116.5 Ų116.578%0.77864%0.641SS**THydrogen-bonded Turntrans-86.2-2.4175.7-79.7-178.2179175.90114G866 M867 E868 T872G866-K870 PolarHBondContact O-N 3.42Å; M867-K870 PolarHBondContact O-N 3.49Å; E868-K870 VanDerWaalsContact C-N 3.25Å; E868-K870 PolarHBondContact O-N 2.99Å; K870-T872 PolarHBondContact O-N 3.3Å
871R35Very low47.1Very low218 Ų218117.4 Ų117.482%0.82365%0.651SS**  trans-78.965.9164.2-73.1-173.7177.4-147.7-0.1109.8E868 P873E868-R871 PolarHBondContact O-N 3.27Å; E868-R871 VanDerWaalsContact O-N 3.17Å; R871-P873 VanDerWaalsContact O-CD 3.32Å; R871-P873 WeakPolarHBondContact O-CD 3.34Å
872T36.6Very low44.4Very low111 Ų111118.1 Ų118.168%0.68166%0.662SS**  trans-68.4118.5164.640.70000108.8K870 I874K870-T872 PolarHBondContact O-N 3.3Å; T872-I874 PolarHBondContact O-N 3.5Å
873P39.5Very low42.3Very low113 Ų113120.7 Ų120.773%0.73467%0.674SS**  trans-65123178.4-13.827.6000109.2R871 T875R871-P873 VanDerWaalsContact O-CD 3.32Å; R871-P873 WeakPolarHBondContact O-CD 3.34Å; P873-T875 PolarHBondContact O-N 2.91Å
874I34.3Very low40.2Very low154 Ų154122.3 Ų122.379%0.7968%0.684SS**  trans-68.299.3171-65.4172.3000107.5T872 T876T872-I874 PolarHBondContact O-N 3.5Å; I874-T876 VanDerWaalsContact C-N 3.33Å; I874-T876 PolarHBondContact O-N 3.21Å
875T31.9Very low38.7Very low123 Ų123123.8 Ų123.876%0.75570%0.698SS**  trans-58.691.4166.1-58.10000109P873 T877P873-T875 PolarHBondContact O-N 2.91Å; T875-T877 PolarHBondContact O-N 3.4Å
876T32.9Very low36.9Very low107 Ų107125.3 Ų125.366%0.65672%0.715SS**  trans-8799.6167.9-57.10000108.2I874 I878I874-T876 VanDerWaalsContact C-N 3.33Å; I874-T876 PolarHBondContact O-N 3.21Å; T876-I878 HydrophobicContact CG2-CG1 4.22Å; T876-I878 PolarHBondContact O-N 2.94Å; T876-I878 VanDerWaalsContact O-N 3.14Å
877T28.1Very low35.6Very low105 Ų105129.4 Ų129.464%0.64474%0.737SS**  trans-58.2104.3169.1-57.50000110T875 N879T875-T877 PolarHBondContact O-N 3.4Å; T877-N879 WeakPolarHBondContact CG2-OD1 3.33Å
878I33.4Very low34.4Very low134 Ų134130 Ų13069%0.68775%0.748SS**  trans-109.4102.2163.8-59.2179.1000107.6T876 T880T876-I878 HydrophobicContact CG2-CG1 4.22Å; T876-I878 PolarHBondContact O-N 2.94Å; T876-I878 VanDerWaalsContact O-N 3.14Å; I878-T880 PolarHBondContact O-N 3.3Å
879N28.9Very low33.4Very low141 Ų141127.9 Ų127.975%0.75476%0.756SS**  trans-62.999.6168.9-66.8-15.1000109T877T877-N879 WeakPolarHBondContact CG2-OD1 3.33Å
880T33.4Very low32.2Very low121 Ų121130.5 Ų130.574%0.74277%0.768SS**  trans-113.5106.8165.8-54.70000108.8I878I878-T880 PolarHBondContact O-N 3.3Å
881T28.7Very low31.4Very low128 Ų128127.4 Ų127.479%0.78577%0.769SS**  trans-60.8130.5179.6-59.20000111.6V883T881-V883 PolarHBondContact O-N 3.01Å
882V26.3Very low30.9Very low117 Ų117123.1 Ų123.171%0.70977%0.767SS**  trans-48.5122.9169176.30000111.7
883V31.5Very low30.7Very low136 Ų136124 Ų12482%0.82477%0.772SS**  trans-126114.2148.7176.70000108.3T881T881-V883 PolarHBondContact O-N 3.01Å
884T28.1Very low30.3Very low116 Ų116123.8 Ų123.871%0.71277%0.771SS**  trans-76.2119.7179.7-34.10000110
885T32.1Very low29.9Very low136 Ų136124 Ų12483%0.83477%0.772SS**  trans-142.8115147.945.40000109.7
886A26.8Very low29.8Very low99 Ų99124.8 Ų124.882%0.81878%0.777SS**  trans-70.3135.3175.700000110.9
887S31.5Very low29.4Very low122 Ų122123.8 Ų123.885%0.85378%0.775SS**  trans-152.1108.7146.6-154.70000110.2
888T28.6Very low29.2Very low137 Ų137124.8 Ų124.884%0.8478%0.781SS**  trans-64.7123.9170.331.90000111.6
889A31.7Very low28.9Very low101 Ų101123 Ų12384%0.83578%0.78SS**  trans-146.796.7152.700000109.5
890T27.7Very low28.6Very low142 Ų142123 Ų12387%0.87179%0.786SS**  trans-63.1127.1163.129.30000110.7
891S31.9Very low28.2Very low114 Ų114122.3 Ų122.380%0.79779%0.785SS**  trans-150.2109.9150.9-164.90000110
892T26.2Very low28.3Very low129 Ų129122.7 Ų122.779%0.79179%0.787SS**  trans-70.8129.4177-54.30000110
893V31.2Very low28.5Very low129 Ų129123.2 Ų123.278%0.78279%0.791SS**  trans-122.6130.7164.9-179.40000108.6
894P31.2Very low28.4Very low109 Ų109122.8 Ų122.871%0.70879%0.789SS**  trans-93.1148.2-168.913.75.9000113.5
895L25.1Very low28.8Very low157 Ų157125.3 Ų125.382%0.82280%0.798SS**  trans-50.6124164.1-175.171.8000112.7
896V30.1Very low28.6Very low141 Ų141126.5 Ų126.586%0.85580%0.799SS**  trans-134.2114.4157.1175.70000108.3
897S24Very low29.1Very low86 Ų86128.4 Ų128.460%0.60180%0.801SS**  trans-77.9165.3168.8-52.90000111.1
898T24.7Very low29.2Very low126 Ų126127.2 Ų127.277%0.77380%0.798SS**  trans125.2116134.1-46.70000116.1
899S26.4Very low29.3Very low96 Ų96127.8 Ų127.867%0.67180%0.796SS**  trans63.4118.3145.4-53.50000119.9
900T22.6Very low29.4Very low142 Ų142129.8 Ų129.887%0.87179%0.793SS**  64.4102.265.2-410000114.5
901S25Very low29.6Very low105 Ų105129.6 Ų129.673%0.73479%0.786SS**  trans150.6111.6142.9173.30000111.7
902T32.2Very low29.8Very low136 Ų136129.5 Ų129.583%0.83478%0.781SS**  trans-148.2101.5156.348.40000110.4
903T30.1Very low29.9Very low129 Ų129132.4 Ų132.479%0.79179%0.786SS**  trans7.5136.4142.349.40000121.7
904T29.4Very low30.1Very low126 Ų126135.1 Ų135.177%0.77379%0.79SS**  trans-54.3143.4159.247.50000114.8
905D35.3Very low30Very low169 Ų169139.4 Ų139.490%0.90480%0.797SS**  trans-154.9120149.9-102.3-24.2000109.7
906D29.4Very low30.3Very low161 Ų161137.9 Ų137.986%0.86180%0.798SS**  trans-88.8129.5174-81.8-46.6000110.1
907V36.4Very low30.2Very low140 Ų140140.7 Ų140.785%0.84880%0.799SS**  trans-142107162.1-179.90000111.2
908A34.4Very low30.6Very low96 Ų96141.3 Ų141.379%0.79381%0.81SS**  trans39.6122.4141.400000122.7
909N30.1Very low30.7Very low149 Ų149140.5 Ų140.580%0.79781%0.809SS**  trans-51.4141.6157.6-93.9-8.7000114.4
910D33.2Very low30.7Very low144 Ų144141.7 Ų141.777%0.7782%0.816SS**  trans-138.1101.4153-166.916.9000108.6
911D32.3Very low31.1Very low138 Ų138143 Ų14374%0.73882%0.816SS**  trans-93.3114.6173.6-83-46.7000108.8
912T35.7Very low31.3Very low112 Ų112144.7 Ų144.769%0.68782%0.817SS**  trans-126.598164.934.90000110.6
913E28.6Very low31.3Very low190 Ų190144.2 Ų144.289%0.88881%0.813SS**  trans-67.7121166.8-79.4-173.1131.700111.2
914H35Very low31.2Very low186 Ų186146.2 Ų146.286%0.86181%0.814SS**  trans-117.5101160.7-81.6-23.3000110.8
915K29.3Very low31.1Very low198 Ų198145.8 Ų145.886%0.86181%0.811SS**  trans-69.2115.3169.6-178177.4-177.9175.40110
916C31.3Very low30.8Very low126 Ų126146.9 Ų146.985%0.85181%0.811SS**  trans-135.4108.7166.1-145.50000110.1
917K28.2Very low30.9Very low199 Ų199145.8 Ų145.887%0.86581%0.81SS**  trans-99.9119.4166.5-82.4-179.4174-178.90107.3
918A31.9Very low30.8Very low100 Ų100143.6 Ų143.683%0.82680%0.801SS**  trans-152.2132.4158.600000109.7
919S28.7Very low31.1Very low109 Ų109145 Ų14576%0.76280%0.802SS**  trans-80.1145.7-175.253.30000113.6
920C25.6Very low31.6Very low121 Ų121144.1 Ų144.182%0.81880%0.796SS**  trans28.5116143.6-57.40000119.6
921I31.1Very low32.5Very low168 Ų168141.8 Ų141.886%0.86279%0.787SS**  trans-133.2117.9146.3-58.9176.7000106.9
922D27.9Very low33.4Very low142 Ų142141.5 Ų141.576%0.75979%0.786SS**  trans-68.4144.7168.1-64.2-58.2000110.7
923T32.3Very low34.3Very low125 Ų125142.4 Ų142.477%0.76779%0.786SS**  172118.6128.140.50000111.7
924E28.3Very low35.6Very low172 Ų172135.5 Ų135.580%0.80476%0.762SS**  trans66.8109132-64.2-176.7157.500122
925T28.3Very low37Very low116 Ų116130.5 Ų130.571%0.71274%0.74SS**  59.194.9115.9-330000117.9
926Q29.3Very low39Very low192 Ų192126.3 Ų126.390%0.89773%0.728SS**  trans-150108143.5-108.6176.192.600110.9S928Q926-S928 PolarHBondContact O-N 3.31Å
927T31.5Very low40.8Very low139 Ų139125.6 Ų125.685%0.85371%0.712SS**  trans-72.4101.4176.2-41.70000109.4
928S34.6Very low42.7Very low93 Ų93121.4 Ų121.465%0.6570%0.697SS**  trans-107127.9166.5-70.80000109.2Q926 I930Q926-S928 PolarHBondContact O-N 3.31Å; S928-I930 PolarHBondContact O-N 2.92Å
929P39Very low44.7Very low126 Ų126120.1 Ų120.182%0.81868%0.676SS**  trans-77.6104.9-176.730.3-30.6000109.8T931P929-T931 PolarHBondContact O-N 2.9Å; P929-T931 VanDerWaalsContact O-N 3.1Å
930I41.8Very low47Very low131 Ų131121.7 Ų121.767%0.67267%0.669SS**  trans-78.795.4175.3-64.1173.1000108.4S928 A934S928-I930 PolarHBondContact O-N 2.92Å; I930-A934 HydrophobicContact CG2-CB 4.15Å
931T51.1Low49.2Very low95 Ų95123.7 Ų123.758%0.58366%0.659SS**  trans26.8117.9142.157.20000118P929 N933 A934P929-T931 PolarHBondContact O-N 2.9Å; P929-T931 VanDerWaalsContact O-N 3.1Å; T931-N933 PolarHBondContact O-N 2.9Å; T931-A934 PolarHBondContact O-N 3.45Å
932D52.5Low51.3Low131 Ų131122.6 Ų122.670%0.70165%0.648SS**Hα-helixtrans-45.7-21.5174.7-65.3-48.2000115.3A934 I935 D936D932-A934 VanDerWaalsContact C-N 3.3Å; D932-A934 PolarHBondContact O-N 2.94Å; D932-I935 WeakPolarHBondContact O-CB 3.39Å; D932-I935 PolarHBondContact O-N 3.48Å; D932-I935 VanDerWaalsContact O-N 3.09Å; D932-D936 PolarHBondContact O-N 2.94Å
933N54.9Low53.6Low131 Ų131122.3 Ų122.370%0.70164%0.642SS**Hα-helixtrans-62.1-35.1175-130.428.2000113.1T931 I935 E937T931-N933 PolarHBondContact O-N 2.9Å; N933-I935 VanDerWaalsContact C-N 3.3Å; N933-E937 WeakPolarHBondContact O-CB 3.46Å; N933-E937 PolarHBondContact O-N 3.24Å
934A54.9Low55.6Low45 Ų45121.5 Ų121.537%0.37263%0.633SS.*Hα-helixtrans-70.3-31.6175.100000111.4I930 T931 D932 M938I930-A934 HydrophobicContact CG2-CB 4.15Å; T931-A934 PolarHBondContact O-N 3.45Å; D932-A934 VanDerWaalsContact C-N 3.3Å; D932-A934 PolarHBondContact O-N 2.94Å; A934-M938 WeakPolarHBondContact O-CB 3.4Å; A934-M938 PolarHBondContact O-N 3.43Å
935I64.8Low57.6Low81 Ų81119.3 Ų119.342%0.41562%0.619SS.*Hα-helixtrans-70.3-43.9176.4-60.9175.8000109.7D932 N933 M938 N939D932-I935 WeakPolarHBondContact O-CB 3.39Å; D932-I935 PolarHBondContact O-N 3.48Å; D932-I935 VanDerWaalsContact O-N 3.09Å; N933-I935 VanDerWaalsContact C-N 3.3Å; I935-M938 PolarHBondContact O-N 2.88Å; I935-N939 WeakPolarHBondContact O-CB 3.4Å; I935-N939 PolarHBondContact O-N 2.96Å; I935-N939 PolarHBondContact O-ND2 3.49Å
936D71.3Confident59.9Low111 Ų111118.5 Ų118.559%0.59461%0.607SS**Hα-helixtrans-64.9-41.1176.8-112.515.6000112.1D932 M938 N939 K940D932-D936 PolarHBondContact O-N 2.94Å; D936-M938 VanDerWaalsContact C-N 3.35Å; D936-N939 PolarHBondContact O-N 3.41Å; D936-K940 WeakPolarHBondContact O-CB 3.35Å; D936-K940 PolarHBondContact O-N 3.28Å
937E68.7Low62.1Low111 Ų111114.2 Ų114.252%0.51959%0.587SS.*Hα-helixtrans-65.9-38.8174.7-162.8-165.8128.600111.9N933 K940 R941N933-E937 WeakPolarHBondContact O-CB 3.46Å; N933-E937 PolarHBondContact O-N 3.24Å; E937-K940 PolarHBondContact O-N 2.84Å; E937-R941 WeakPolarHBondContact O-CB 3.44Å; E937-R941 PolarHBondContact O-N 3.12Å; E937-R941 IonicContact OE1-CZ 2.8Å; E937-R941 IonicContact OE1-NE 2.83Å; E937-R941 IonicContact OE1-NH2 3.51Å; E937-R941 PolarHBondContact OE1-NH2 3.07Å
938M67.7Low64.2Low111 Ų111114.4 Ų114.455%0.54757%0.573SS.*Hα-helixtrans-65.8-41.4174.7-170.4-173.273.600111.3A934 I935 D936 R941 K942A934-M938 WeakPolarHBondContact O-CB 3.4Å; A934-M938 PolarHBondContact O-N 3.43Å; I935-M938 PolarHBondContact O-N 2.88Å; D936-M938 VanDerWaalsContact C-N 3.35Å; M938-R941 PolarHBondContact O-N 2.88Å; M938-K942 WeakPolarHBondContact O-CB 3.35Å; M938-K942 PolarHBondContact O-N 3.19Å
939N75.4Confident66.1Low73 Ų73111.9 Ų111.939%0.3956%0.555SS.*Hα-helixtrans-64.1-43.1176-75.6-27.4000111.1I935 D936 R941 K942 E943I935-N939 WeakPolarHBondContact O-CB 3.4Å; I935-N939 PolarHBondContact O-N 2.96Å; I935-N939 PolarHBondContact O-ND2 3.49Å; D936-N939 PolarHBondContact O-N 3.41Å; N939-R941 PolarHBondContact O-N 3.22Å; N939-K942 WeakPolarHBondContact O-CB 3.26Å; N939-K942 PolarHBondContact O-N 3.43Å; N939-E943 WeakPolarHBondContact O-CB 3.49Å; N939-E943 PolarHBondContact O-N 3.17Å
940K76.2Confident67.9Low142 Ų142110.9 Ų110.962%0.61754%0.538SS*.Hα-helixtrans-66.1-38.4176.9-165.4162.1-172.5171.10112.7D936 E937 K942 E943 N944D936-K940 WeakPolarHBondContact O-CB 3.35Å; D936-K940 PolarHBondContact O-N 3.28Å; E937-K940 PolarHBondContact O-N 2.84Å; K940-K942 VanDerWaalsContact C-N 3.35Å; K940-E943 PolarHBondContact O-N 3.41Å; K940-N944 WeakPolarHBondContact O-CB 3.46Å; K940-N944 PolarHBondContact O-N 3.48Å
941R71.9Confident69.5Low162 Ų162108.9 Ų108.961%0.61153%0.525SS*.Hα-helixtrans-63.7-40.6171-95.8-171-82.7169.7-12.6112.1E937 M938 N939 N944 Y945E937-R941 WeakPolarHBondContact O-CB 3.44Å; E937-R941 PolarHBondContact O-N 3.12Å; E937-R941 IonicContact OE1-CZ 2.8Å; E937-R941 IonicContact OE1-NE 2.83Å; E937-R941 IonicContact OE1-NH2 3.51Å; E937-R941 PolarHBondContact OE1-NH2 3.07Å; M938-R941 PolarHBondContact O-N 2.88Å; N939-R941 PolarHBondContact O-N 3.22Å; R941-N944 PolarHBondContact O-N 3.49Å; R941-Y945 WeakPolarHBondContact O-CB 3.33Å; R941-Y945 PolarHBondContact O-N 3.45Å
942K75.6Confident70.6Confident145 Ų145106.5 Ų106.563%0.6351%0.509SS*.Hα-helixtrans-63.6-42.6177.3-170.6-179.4178.8-176.70111.4M938 N939 K940 Y945 E946M938-K942 WeakPolarHBondContact O-CB 3.35Å; M938-K942 PolarHBondContact O-N 3.19Å; N939-K942 WeakPolarHBondContact O-CB 3.26Å; N939-K942 PolarHBondContact O-N 3.43Å; K940-K942 VanDerWaalsContact C-N 3.35Å; K942-Y945 PolarHBondContact O-N 3.42Å; K942-E946 WeakPolarHBondContact O-CB 3.43Å; K942-E946 PolarHBondContact O-N 3.24Å
943E74.5Confident71.9Confident136 Ų136103.4 Ų103.464%0.63649%0.491SS*.Hα-helixtrans-66.1-42.2177.5-158.1170.1-148.100111.7N939 K940 Y945 E946 Q947N939-E943 WeakPolarHBondContact O-CB 3.49Å; N939-E943 PolarHBondContact O-N 3.17Å; K940-E943 PolarHBondContact O-N 3.41Å; E943-Y945 VanDerWaalsContact C-N 3.35Å; E943-Y945 PolarHBondContact O-N 2.86Å; E943-E946 PolarHBondContact O-N 3.43Å; E943-Q947 WeakPolarHBondContact O-CB 3.49Å; E943-Q947 PolarHBondContact O-N 3.08Å
944N74.3Confident72.9Confident108 Ų108102.8 Ų102.858%0.57848%0.483SS*.Hα-helixtrans-61.8-41.2172.3-79.9-12.7000112.5K940 R941 Q947 Y948K940-N944 WeakPolarHBondContact O-CB 3.46Å; K940-N944 PolarHBondContact O-N 3.48Å; R941-N944 PolarHBondContact O-N 3.49Å; N944-Q947 PolarHBondContact O-N 3.34Å; N944-Y948 WeakPolarHBondContact O-CB 3.39Å; N944-Y948 PolarHBondContact O-N 2.91Å
945Y72.2Confident73.7Confident127 Ų127107.5 Ų107.550%0.49849%0.492SS..Hα-helixtrans-67.9-39.3177.8-173.7-95.9000111.8R941 K942 E943 Q947 Y948 C949R941-Y945 WeakPolarHBondContact O-CB 3.33Å; R941-Y945 PolarHBondContact O-N 3.45Å; K942-Y945 PolarHBondContact O-N 3.42Å; E943-Y945 VanDerWaalsContact C-N 3.35Å; E943-Y945 PolarHBondContact O-N 2.86Å; Y945-Q947 VanDerWaalsContact C-N 3.33Å; Y945-Y948 PolarHBondContact O-N 3.42Å; Y945-C949 WeakPolarHBondContact CE1-SG 3.29Å; Y945-C949 PolarHBondContact O-N 2.98Å; Y945-C949 PolarHBondContact O-SG 3.32Å
946E76.6Confident74.3Confident98 Ų98107.8 Ų107.846%0.45849%0.493SS..Hα-helixtrans-62.7-42.1174-167.9-175.1146.900111.2K942 E943 C949 K950K942-E946 WeakPolarHBondContact O-CB 3.43Å; K942-E946 PolarHBondContact O-N 3.24Å; E943-E946 PolarHBondContact O-N 3.43Å; E946-C949 PolarHBondContact O-N 2.82Å; E946-K950 WeakPolarHBondContact O-CG 3.47Å; E946-K950 PolarHBondContact O-N 3.3Å; E946-K950 WeakPolarHBondContact OE1-CE 3.35Å; E946-K950 IonicContact OE1-NZ 3.69Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å
947Q75.2Confident74.3Confident102 Ų102103.8 Ų103.848%0.47747%0.473SS..Hα-helixtrans-64.5-41.7176-168.362.818.700112.1E943 N944 Y945 C949 K950 E951E943-Q947 WeakPolarHBondContact O-CB 3.49Å; E943-Q947 PolarHBondContact O-N 3.08Å; N944-Q947 PolarHBondContact O-N 3.34Å; Y945-Q947 VanDerWaalsContact C-N 3.33Å; Q947-C949 VanDerWaalsContact C-N 3.35Å; Q947-C949 PolarHBondContact O-N 2.92Å; Q947-K950 PolarHBondContact O-N 3.24Å; Q947-E951 PolarHBondContact O-N 3.48Å
948Y75.3Confident74.5Confident144 Ų144101.2 Ų101.257%0.56547%0.468SS*.Hα-helixtrans-59.4-44.9173.2176.2-100.4000111.6N944 Y945 K950 E951 L952N944-Y948 WeakPolarHBondContact O-CB 3.39Å; N944-Y948 PolarHBondContact O-N 2.91Å; Y945-Y948 PolarHBondContact O-N 3.42Å; Y948-K950 VanDerWaalsContact C-N 3.35Å; Y948-K950 PolarHBondContact O-N 3.49Å; Y948-E951 PolarHBondContact O-N 2.98Å; Y948-L952 WeakPolarHBondContact O-CB 3.39Å; Y948-L952 PolarHBondContact O-N 3.48Å
949C73.2Confident74.6Confident40 Ų4098.7 Ų98.727%0.2746%0.456SS..Hα-helixtrans-62.3-40.4176.6-670000112.1Y945 E946 Q947 L952 I953Y945-C949 WeakPolarHBondContact CE1-SG 3.29Å; Y945-C949 PolarHBondContact O-N 2.98Å; Y945-C949 PolarHBondContact O-SG 3.32Å; E946-C949 PolarHBondContact O-N 2.82Å; Q947-C949 VanDerWaalsContact C-N 3.35Å; Q947-C949 PolarHBondContact O-N 2.92Å; C949-L952 PolarHBondContact O-N 2.85Å; C949-I953 VanDerWaalsContact O-CG1 3.28Å; C949-I953 WeakPolarHBondContact O-CG1 3.45Å; C949-I953 PolarHBondContact O-N 3.46Å
950K77.3Confident74.1Confident105 Ų105101.7 Ų101.746%0.45746%0.463SS..Hα-helixtrans-62.8-43.3176.6-77.4176-176161.10112.4E946 Q947 Y948 I953 K954E946-K950 WeakPolarHBondContact O-CG 3.47Å; E946-K950 PolarHBondContact O-N 3.3Å; E946-K950 WeakPolarHBondContact OE1-CE 3.35Å; E946-K950 IonicContact OE1-NZ 3.69Å; E946-K950 PolarHBondContact OE1-NZ 3.01Å; Q947-K950 PolarHBondContact O-N 3.24Å; Y948-K950 VanDerWaalsContact C-N 3.35Å; Y948-K950 PolarHBondContact O-N 3.49Å; K950-I953 PolarHBondContact O-N 3.4Å; K950-K954 PolarHBondContact O-N 2.87Å
951E75Confident73.8Confident89 Ų8997.3 Ų97.342%0.41645%0.446SS..Hα-helixtrans-68.9-37176.7-76.3-58.9128.900112.2Q947 Y948 I953 K954 Y955Q947-E951 PolarHBondContact O-N 3.48Å; Y948-E951 PolarHBondContact O-N 2.98Å; E951-I953 PolarHBondContact O-N 3.42Å; E951-K954 WeakPolarHBondContact O-CB 3.48Å; E951-K954 PolarHBondContact O-N 3.48Å; E951-K954 IonicContact OE1-NZ 2.76Å; E951-K954 PolarHBondContact OE1-NZ 2.99Å; E951-Y955 WeakPolarHBondContact O-CB 3.32Å; E951-Y955 PolarHBondContact O-N 3.27Å
952L74.3Confident73.5Confident45 Ų4594.1 Ų94.124%0.23644%0.441CS..Hα-helixtrans-63-43174.6-156.481.3000111.8Y948 C949 Y955 I956 L993Y948-L952 WeakPolarHBondContact O-CB 3.39Å; Y948-L952 PolarHBondContact O-N 3.48Å; C949-L952 PolarHBondContact O-N 2.85Å; L952-Y955 PolarHBondContact O-N 2.78Å; L952-I956 HydrophobicContact CG-CD1 4.39Å; L952-I956 VanDerWaalsContact O-CG1 3.31Å; L952-I956 WeakPolarHBondContact O-CG1 3.25Å; L952-I956 PolarHBondContact O-N 3.24Å; L952-L993 HydrophobicContact CD2-CD1 3.76Å; L952-L993 HydrophobicContact CD2-CD2 4.12Å
953I80.3Confident72.6Confident65 Ų6593.7 Ų93.733%0.33344%0.441SS..Hα-helixtrans-62.6-45175.5-70.2165.5000110.5C949 K950 E951 Y955 I956 C957C949-I953 VanDerWaalsContact O-CG1 3.28Å; C949-I953 WeakPolarHBondContact O-CG1 3.45Å; C949-I953 PolarHBondContact O-N 3.46Å; K950-I953 PolarHBondContact O-N 3.4Å; E951-I953 PolarHBondContact O-N 3.42Å; I953-Y955 VanDerWaalsContact C-N 3.31Å; I953-Y955 PolarHBondContact O-N 2.85Å; I953-I956 PolarHBondContact O-N 3.48Å; I953-C957 WeakPolarHBondContact O-CB 3.44Å; I953-C957 PolarHBondContact O-N 2.96Å; I953-C957 PolarHBondContact O-SG 3.5Å; I953-C957 VanDerWaalsContact O-SG 3.35Å
954K75.9Confident71.7Confident119 Ų11990.9 Ų90.952%0.51743%0.43SS..Hα-helixtrans-56.2-45.4173.7-98.8-175.9-169.9163.70112.2K950 E951 C957 S958K950-K954 PolarHBondContact O-N 2.87Å; E951-K954 WeakPolarHBondContact O-CB 3.48Å; E951-K954 PolarHBondContact O-N 3.48Å; E951-K954 IonicContact OE1-NZ 2.76Å; E951-K954 PolarHBondContact OE1-NZ 2.99Å; K954-C957 PolarHBondContact O-N 3.32Å; K954-S958 WeakPolarHBondContact O-CB 3.42Å; K954-S958 PolarHBondContact O-N 3.31Å
955Y72.5Confident70.6Confident144 Ų14491 Ų9157%0.56544%0.435SS*.Hα-helixtrans-63.5-45.5-179.6-178.2-109.3000111.8E951 L952 I953 C957 S958 I959E951-Y955 WeakPolarHBondContact O-CB 3.32Å; E951-Y955 PolarHBondContact O-N 3.27Å; L952-Y955 PolarHBondContact O-N 2.78Å; I953-Y955 VanDerWaalsContact C-N 3.31Å; I953-Y955 PolarHBondContact O-N 2.85Å; Y955-C957 PolarHBondContact O-N 3.47Å; Y955-S958 WeakPolarHBondContact O-CB 3.47Å; Y955-S958 PolarHBondContact O-N 2.88Å; Y955-S958 VanDerWaalsContact O-N 3.16Å; Y955-I959 HydrophobicContact CD1-CD1 3.89Å; Y955-I959 HydrophobicContact CE1-CD1 3.37Å; Y955-I959 HydrophobicContact CE1-CG1 4.38Å; Y955-I959 HydrophobicContact CE2-CD1 4.28Å; Y955-I959 WeakPolarHBondContact O-CG1 3.5Å; Y955-I959 PolarHBondContact O-N 3.27Å
956I76.8Confident69.5Low86 Ų8691.8 Ų91.844%0.44145%0.447SS..Hα-helixtrans-62.3-43.7175.8-65.3165.5000110.8L952 I953 S958 I959 Y960L952-I956 HydrophobicContact CG-CD1 4.39Å; L952-I956 VanDerWaalsContact O-CG1 3.31Å; L952-I956 WeakPolarHBondContact O-CG1 3.25Å; L952-I956 PolarHBondContact O-N 3.24Å; I953-I956 PolarHBondContact O-N 3.48Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 2.84Å; I956-I959 PolarHBondContact O-N 2.94Å; I956-Y960 WeakPolarHBondContact O-CB 3.29Å; I956-Y960 PolarHBondContact O-N 3.36Å
957C70.8Confident67.9Low27 Ų2792 Ų9218%0.18246%0.46CS..Hα-helixtrans-63.7-35.5175-72.70000112.1I953 K954 Y955 Y960 N961I953-C957 WeakPolarHBondContact O-CB 3.44Å; I953-C957 PolarHBondContact O-N 2.96Å; I953-C957 PolarHBondContact O-SG 3.5Å; I953-C957 VanDerWaalsContact O-SG 3.35Å; K954-C957 PolarHBondContact O-N 3.32Å; Y955-C957 PolarHBondContact O-N 3.47Å; C957-Y960 PolarHBondContact O-N 3.39Å; C957-N961 VanDerWaalsContact O-CB 3.29Å; C957-N961 WeakPolarHBondContact O-CB 3.39Å; C957-N961 VanDerWaalsContact O-CG 3.22Å; C957-N961 PolarHBondContact O-N 3.06Å; C957-N961 PolarHBondContact O-ND2 2.91Å
958S72.7Confident66.2Low58 Ų5890.4 Ų90.441%0.40646%0.46SS..Hα-helixtrans-63.3-48.5174.3-168.20000111.2K954 Y955 I956 Y960 N961 D962K954-S958 WeakPolarHBondContact O-CB 3.42Å; K954-S958 PolarHBondContact O-N 3.31Å; Y955-S958 WeakPolarHBondContact O-CB 3.47Å; Y955-S958 PolarHBondContact O-N 2.88Å; Y955-S958 VanDerWaalsContact O-N 3.16Å; I956-S958 VanDerWaalsContact C-N 3.31Å; I956-S958 PolarHBondContact O-N 2.84Å; S958-Y960 VanDerWaalsContact C-N 3.33Å; S958-Y960 PolarHBondContact O-N 3.46Å; S958-N961 PolarHBondContact O-N 3.05Å; S958-D962 WeakPolarHBondContact O-CB 3.38Å; S958-D962 PolarHBondContact O-N 3.34Å
959I69.7Low64.5Low58 Ų5892.4 Ų92.430%0.29747%0.474SS..Hα-helixtrans-60.9-44.4177.8-66.7171.6000110.6Y955 I956 D962 H963Y955-I959 HydrophobicContact CD1-CD1 3.89Å; Y955-I959 HydrophobicContact CE1-CD1 3.37Å; Y955-I959 HydrophobicContact CE1-CG1 4.38Å; Y955-I959 HydrophobicContact CE2-CD1 4.28Å; Y955-I959 WeakPolarHBondContact O-CG1 3.5Å; Y955-I959 PolarHBondContact O-N 3.27Å; I956-I959 PolarHBondContact O-N 2.94Å; I959-D962 PolarHBondContact O-N 3.01Å; I959-H963 WeakPolarHBondContact O-CB 3.44Å; I959-H963 PolarHBondContact O-N 3.38Å
960Y65.5Low62.9Low136 Ų13697.9 Ų97.953%0.53350%0.501SS..Hα-helixtrans-64.3-42.5179.3-171.9-94.8000111.5I956 C957 S958 H963 L964I956-Y960 WeakPolarHBondContact O-CB 3.29Å; I956-Y960 PolarHBondContact O-N 3.36Å; C957-Y960 PolarHBondContact O-N 3.39Å; S958-Y960 VanDerWaalsContact C-N 3.33Å; S958-Y960 PolarHBondContact O-N 3.46Å; Y960-H963 PolarHBondContact O-N 2.94Å; Y960-L964 HydrophobicContact CE1-CD1 4.14Å; Y960-L964 WeakPolarHBondContact O-CB 3.39Å; Y960-L964 PolarHBondContact O-N 2.83Å
961N69.7Low61Low49 Ų4997.3 Ų97.326%0.26251%0.51SS..Hα-helixtrans-66.4-39.6176.5-74.8-35.8000112.1C957 S958 L964 V965C957-N961 VanDerWaalsContact O-CB 3.29Å; C957-N961 WeakPolarHBondContact O-CB 3.39Å; C957-N961 VanDerWaalsContact O-CG 3.22Å; C957-N961 PolarHBondContact O-N 3.06Å; C957-N961 PolarHBondContact O-ND2 2.91Å; S958-N961 PolarHBondContact O-N 3.05Å; N961-L964 PolarHBondContact O-N 3.25Å; N961-V965 WeakPolarHBondContact O-CB 3.49Å; N961-V965 VanDerWaalsContact O-CG2 3.26Å; N961-V965 WeakPolarHBondContact O-CG2 3.44Å; N961-V965 PolarHBondContact O-N 3.07Å
962D65.5Low59.3Low96 Ų96102.2 Ų102.251%0.51353%0.533SS..Hα-helixtrans-64.3-41.8174.9-77-19.9000111.5S958 I959 L964 V965 N966S958-D962 WeakPolarHBondContact O-CB 3.38Å; S958-D962 PolarHBondContact O-N 3.34Å; I959-D962 PolarHBondContact O-N 3.01Å; D962-L964 VanDerWaalsContact C-N 3.31Å; D962-L964 PolarHBondContact O-N 2.91Å; D962-V965 PolarHBondContact O-N 3.47Å; D962-N966 PolarHBondContact O-N 2.88Å; D962-N966 VanDerWaalsContact O-N 3.15Å; D962-N966 PolarHBondContact O-ND2 2.94Å
963H56.8Low57.6Low136 Ų136106.4 Ų106.463%0.6356%0.561SS**Hα-helixtrans-64.1-35.3173.3-97.5-81.5000112.7I959 Y960 S967I959-H963 WeakPolarHBondContact O-CB 3.44Å; I959-H963 PolarHBondContact O-N 3.38Å; Y960-H963 PolarHBondContact O-N 2.94Å; H963-S967 PolarHBondContact O-N 3.41Å
964L55.8Low55.8Low77 Ų77111 Ų11140%0.40358%0.579SS.*Hα-helixtrans-72.8-40.1178.4-14980000111.7Y960 N961 D962 N966 S967 S968Y960-L964 HydrophobicContact CE1-CD1 4.14Å; Y960-L964 WeakPolarHBondContact O-CB 3.39Å; Y960-L964 PolarHBondContact O-N 2.83Å; N961-L964 PolarHBondContact O-N 3.25Å; D962-L964 VanDerWaalsContact C-N 3.31Å; D962-L964 PolarHBondContact O-N 2.91Å; L964-N966 VanDerWaalsContact C-N 3.26Å; L964-N966 PolarHBondContact O-N 2.71Å; L964-S967 PolarHBondContact O-N 2.91Å; L964-S968 PolarHBondContact O-N 3.49Å
965V51.7Low54.2Low110 Ų110110.4 Ų110.467%0.66759%0.585SS**Hα-helixtrans-63.8-33.2176.9170.40000111.2N961 D962N961-V965 WeakPolarHBondContact O-CB 3.49Å; N961-V965 VanDerWaalsContact O-CG2 3.26Å; N961-V965 WeakPolarHBondContact O-CG2 3.44Å; N961-V965 PolarHBondContact O-N 3.07Å; D962-V965 PolarHBondContact O-N 3.47Å
966N48.9Very low52.8Low143 Ų143105.5 Ų105.577%0.76557%0.57SS**Hα-helixtrans-79.2-14.8177.7-67.9-21.4000114.1D962 L964D962-N966 PolarHBondContact O-N 2.88Å; D962-N966 VanDerWaalsContact O-N 3.15Å; D962-N966 PolarHBondContact O-ND2 2.94Å; L964-N966 VanDerWaalsContact C-N 3.26Å; L964-N966 PolarHBondContact O-N 2.71Å
967S42.4Very low51.4Low103 Ų103104.8 Ų104.872%0.7257%0.572SS**Hα-helixtrans-108.3-6.7-172.4-166.40000115.7H963 L964H963-S967 PolarHBondContact O-N 3.41Å; L964-S967 PolarHBondContact O-N 2.91Å
968S40.6Very low50.4Low68 Ų68107 Ų10748%0.47659%0.586SS.*  trans-152.3100.3178.3-160.30000113.4L964 N970L964-S968 PolarHBondContact O-N 3.49Å; S968-N970 VanDerWaalsContact C-N 3.28Å; S968-N970 PolarHBondContact O-N 3.27Å
969Q39.9Very low49.3Very low186 Ų186111.7 Ų111.787%0.86961%0.607SS**SBendtrans-82.24.8175.9-163.5152.74.700113.8
970N39.2Very low48.4Very low156 Ų156113.8 Ų113.883%0.83463%0.627SS**SBendtrans-151.865.4-176.7-77.2-40.1000114S968S968-N970 VanDerWaalsContact C-N 3.28Å; S968-N970 PolarHBondContact O-N 3.27Å
971S37Very low47.5Very low93 Ų93113.6 Ų113.665%0.6563%0.629SS**SBendtrans-175.1128.3153.6540000112.6
972E39.9Very low46.4Very low192 Ų192119.2 Ų119.290%0.89765%0.654SS**  trans15.2109.1160.1-78.5170.3149.600119.9F974E972-F974 PolarHBondContact O-N 2.93Å
973T38.6Very low45.4Very low133 Ų133121.4 Ų121.482%0.81667%0.665SS**  trans-21.689157.5-40.40000116.1V975T973-V975 HydrophobicContact CG2-CG2 3.59Å
974F41.8Very low45Very low161 Ų161119.6 Ų119.671%0.70667%0.673SS**  trans-102.177.8157.9-167.9-105.8000109.2E972 V976E972-F974 PolarHBondContact O-N 2.93Å; F974-V976 HydrophobicContact CD1-CG2 3.8Å; F974-V976 HydrophobicContact CE1-CG2 3.64Å; F974-V976 PolarHBondContact O-N 2.79Å
975V42.4Very low45Very low106 Ų106119.2 Ų119.264%0.64267%0.671SS**  trans-75.5107.1173.4173.80000107.3T973 S977T973-V975 HydrophobicContact CG2-CG2 3.59Å; V975-S977 PolarHBondContact O-N 2.89Å
976V43.7Very low45Very low42 Ų42118.3 Ų118.326%0.25566%0.662SS.*  trans-67.6100.8174.2-179.90000107.9F974F974-V976 HydrophobicContact CD1-CG2 3.8Å; F974-V976 HydrophobicContact CE1-CG2 3.64Å; F974-V976 PolarHBondContact O-N 2.79Å
977S46Very low45.8Very low70 Ų70116.1 Ų116.149%0.4966%0.658SS.*  trans-71.7133.4176.2-171.10000110.3V975 D979V975-S977 PolarHBondContact O-N 2.89Å; S977-D979 PolarHBondContact O-N 3.46Å; S977-D979 VanDerWaalsContact O-N 3.13Å
978P49.9Very low47Very low74 Ų74117.7 Ų117.748%0.48165%0.652SS.*G310 helixtrans-59.7-23.2-175.2-23.332.4000115.4S980P978-S980 VanDerWaalsContact C-N 3.29Å; P978-S980 PolarHBondContact O-N 2.94Å
979D49.9Very low48.1Very low157 Ų157117.8 Ų117.884%0.8465%0.649SS**G310 helixtrans-81-0.5-169.3-67.9-22.9000114.6S977S977-D979 PolarHBondContact O-N 3.46Å; S977-D979 VanDerWaalsContact O-N 3.13Å
980S51.5Low49.7Very low102 Ų102114 Ų11471%0.71363%0.63SS**G310 helixtrans-92.2-2.8-177.3-169.20000115.2P978 E982P978-S980 VanDerWaalsContact C-N 3.29Å; P978-S980 PolarHBondContact O-N 2.94Å; S980-E982 PolarHBondContact O-N 3.09Å; S980-E982 VanDerWaalsContact O-N 3.1Å
981F47.3Very low51.4Low131 Ų131109.1 Ų109.158%0.57561%0.608SS**  trans-86.182.4179.7-99.4-91.6000111.1L983F981-L983 PolarHBondContact O-N 2.9Å
982E46.1Very low53.1Low168 Ų168110.8 Ų110.879%0.78561%0.609SS**  trans-55.9127.9162.2-79.8-174.9157.300109.5S980 A984S980-E982 PolarHBondContact O-N 3.09Å; S980-E982 VanDerWaalsContact O-N 3.1Å; E982-A984 PolarHBondContact O-N 3.27Å
983L44Very low54.9Low142 Ų142104.5 Ų104.574%0.74358%0.581SS**G310 helixtrans-63.412.2-173.4-156.169.8000114.6F981 N985 I986F981-L983 PolarHBondContact O-N 2.9Å; L983-N985 PolarHBondContact O-N 3.37Å; L983-I986 HydrophobicContact CG-CD1 4.21Å; L983-I986 HydrophobicContact CG-CG1 4.24Å; L983-I986 WeakPolarHBondContact O-CG1 3.49Å
984A49.4Very low56.8Low98 Ų98104.4 Ų104.481%0.8157%0.571SS**G310 helixtrans-72.8-6-17600000114.1E982E982-A984 PolarHBondContact O-N 3.27Å
985N53.9Low58.8Low68 Ų68103.4 Ų103.436%0.36457%0.567SS.*G310 helixtrans-119.231.2-170.5-152.38.7000113.8L983 S987 K988 V989L983-N985 PolarHBondContact O-N 3.37Å; N985-S987 PolarHBondContact O-N 3.2Å; N985-S987 VanDerWaalsContact O-N 3.16Å; N985-K988 PolarHBondContact O-N 2.93Å; N985-K988 VanDerWaalsContact O-N 3.09Å; N985-K988 WeakPolarHBondContact OD1-CB 3.4Å; N985-K988 WeakPolarHBondContact OD1-CD 3.41Å; N985-K988 VanDerWaalsContact OD1-CG 3.27Å; N985-K988 WeakPolarHBondContact OD1-CG 3.38Å; N985-V989 PolarHBondContact O-N 3.08Å
986I52.4Low60.8Low91 Ų91103.6 Ų103.647%0.46756%0.559SS.*Hα-helixtrans-47.6-44.2-178.1-72.1160.4000112L983 K988 V989 F990L983-I986 HydrophobicContact CG-CD1 4.21Å; L983-I986 HydrophobicContact CG-CG1 4.24Å; L983-I986 WeakPolarHBondContact O-CG1 3.49Å; I986-K988 PolarHBondContact O-N 3.18Å; I986-V989 PolarHBondContact O-N 3.23Å; I986-F990 HydrophobicContact CG2-CD2 3.48Å; I986-F990 VanDerWaalsContact CG2-CD2 3.48Å; I986-F990 HydrophobicContact CG2-CE2 3.57Å; I986-F990 WeakPolarHBondContact O-CD2 3.43Å; I986-F990 PolarHBondContact O-N 3.29Å
987S66.8Low62.7Low97 Ų97104.5 Ų104.568%0.67857%0.568SS**Hα-helixtrans-63-40-1781780000113.4N985 S991N985-S987 PolarHBondContact O-N 3.2Å; N985-S987 VanDerWaalsContact O-N 3.16Å; S987-S991 WeakPolarHBondContact O-CB 3.44Å; S987-S991 PolarHBondContact O-N 3.42Å
988K67.4Low64.5Low137 Ų137105.6 Ų105.660%0.59657%0.567SS**Hα-helixtrans-70.4-37.6176.8-73.8-170.7-171.2170.30111.8N985 I986 S991 L992N985-K988 PolarHBondContact O-N 2.93Å; N985-K988 VanDerWaalsContact O-N 3.09Å; N985-K988 WeakPolarHBondContact OD1-CB 3.4Å; N985-K988 WeakPolarHBondContact OD1-CD 3.41Å; N985-K988 VanDerWaalsContact OD1-CG 3.27Å; N985-K988 WeakPolarHBondContact OD1-CG 3.38Å; I986-K988 PolarHBondContact O-N 3.18Å; K988-S991 PolarHBondContact O-N 2.95Å; K988-L992 WeakPolarHBondContact O-CB 3.33Å; K988-L992 PolarHBondContact O-N 2.94Å
989V63.7Low66.4Low69 Ų69107.9 Ų107.942%0.41857%0.569SS.*Hα-helixtrans-64.1-45.8176.9178.20000110.6N985 I986 S991 L992 L993N985-V989 PolarHBondContact O-N 3.08Å; I986-V989 PolarHBondContact O-N 3.23Å; V989-S991 PolarHBondContact O-N 3.5Å; V989-L992 PolarHBondContact O-N 3.21Å; V989-L993 WeakPolarHBondContact O-CB 3.44Å; V989-L993 PolarHBondContact O-N 3.19Å
990F74Confident68.3Low108 Ų108106 Ų10647%0.47455%0.554SS.*Hα-helixtrans-61.5-43175.2-90.6-76.3000112.5I986 L992 L993 E994I986-F990 HydrophobicContact CG2-CD2 3.48Å; I986-F990 VanDerWaalsContact CG2-CD2 3.48Å; I986-F990 HydrophobicContact CG2-CE2 3.57Å; I986-F990 WeakPolarHBondContact O-CD2 3.43Å; I986-F990 PolarHBondContact O-N 3.29Å; F990-L992 PolarHBondContact O-N 3.42Å; F990-L993 PolarHBondContact O-N 3.25Å; F990-E994 WeakPolarHBondContact O-CB 3.37Å; F990-E994 PolarHBondContact O-N 2.81Å
991S74.4Confident69.9Low53 Ų53105.3 Ų105.337%0.37154%0.542SS..Hα-helixtrans-66-37.4178.5-170.90000112.6S987 K988 V989 K995S987-S991 WeakPolarHBondContact O-CB 3.44Å; S987-S991 PolarHBondContact O-N 3.42Å; K988-S991 PolarHBondContact O-N 2.95Å; V989-S991 PolarHBondContact O-N 3.5Å; S991-K995 VanDerWaalsContact O-CG 3.31Å; S991-K995 WeakPolarHBondContact O-CG 3.49Å; S991-K995 PolarHBondContact O-N 2.69Å; S991-K995 VanDerWaalsContact O-N 3.1Å
992L73.1Confident71.8Confident127 Ų127104.9 Ų104.967%0.66554%0.542SS*.Hα-helixtrans-65.9-40.6172.3-108.2135.2000111.7K988 V989 F990 K995 F996K988-L992 WeakPolarHBondContact O-CB 3.33Å; K988-L992 PolarHBondContact O-N 2.94Å; V989-L992 PolarHBondContact O-N 3.21Å; F990-L992 PolarHBondContact O-N 3.42Å; L992-K995 PolarHBondContact O-N 3.12Å; L992-F996 WeakPolarHBondContact O-CB 3.48Å; L992-F996 PolarHBondContact O-N 3.36Å
993L77.3Confident73.8Confident61 Ų61104.4 Ų104.432%0.31953%0.534SS..Hα-helixtrans-65.5-41.6178.5-173.263.9000111.7L952 V989 F990 F996 S997L952-L993 HydrophobicContact CD2-CD1 3.76Å; L952-L993 HydrophobicContact CD2-CD2 4.12Å; V989-L993 WeakPolarHBondContact O-CB 3.44Å; V989-L993 PolarHBondContact O-N 3.19Å; F990-L993 PolarHBondContact O-N 3.25Å; L993-F996 PolarHBondContact O-N 3.06Å; L993-S997 WeakPolarHBondContact O-CB 3.46Å; L993-S997 PolarHBondContact O-N 3.48Å
994E78Confident76.1Confident130 Ų130102.9 Ų102.961%0.60752%0.522SS*.Hα-helixtrans-63.8-45.8175.9-172.1171-153.600111.3F990 F996 S997 I998F990-E994 WeakPolarHBondContact O-CB 3.37Å; F990-E994 PolarHBondContact O-N 2.81Å; E994-F996 VanDerWaalsContact C-N 3.32Å; E994-F996 PolarHBondContact O-N 3.03Å; E994-S997 WeakPolarHBondContact O-CB 3.2Å; E994-S997 PolarHBondContact O-N 3.48Å; E994-I998 HydrophobicContact CG-CD1 4.36Å; E994-I998 WeakPolarHBondContact O-CG1 3.4Å; E994-I998 PolarHBondContact O-N 3.14Å
995K82.8Confident77.9Confident141 Ų141103.1 Ų103.161%0.61351%0.508SS*.Hα-helixtrans-60.7-40.5173.9-73178.1-178.1-172.10112.6S991 L992 K999S991-K995 VanDerWaalsContact O-CG 3.31Å; S991-K995 WeakPolarHBondContact O-CG 3.49Å; S991-K995 PolarHBondContact O-N 2.69Å; S991-K995 VanDerWaalsContact O-N 3.1Å; L992-K995 PolarHBondContact O-N 3.12Å; K995-K999 PolarHBondContact O-N 3.29Å
996F84.3Confident79.6Confident109 Ų109103.4 Ų103.448%0.47851%0.509SS..Hα-helixtrans-65.8-41.8176.1-177.9-97.5000111.3L992 L993 E994 I998 K999 F1000L992-F996 WeakPolarHBondContact O-CB 3.48Å; L992-F996 PolarHBondContact O-N 3.36Å; L993-F996 PolarHBondContact O-N 3.06Å; E994-F996 VanDerWaalsContact C-N 3.32Å; E994-F996 PolarHBondContact O-N 3.03Å; F996-I998 PolarHBondContact O-N 3.37Å; F996-K999 PolarHBondContact O-N 3.44Å; F996-F1000 VanDerWaalsContact O-CB 3.27Å; F996-F1000 WeakPolarHBondContact O-CB 3.5Å; F996-F1000 PolarHBondContact O-N 3.2Å
997S83.9Confident81.3Confident62 Ų62102.4 Ų102.443%0.43451%0.51SS..Hα-helixtrans-62.4-42.2177.5-151.90000111.8L993 E994 F1000 N1001L993-S997 WeakPolarHBondContact O-CB 3.46Å; L993-S997 PolarHBondContact O-N 3.48Å; E994-S997 WeakPolarHBondContact O-CB 3.2Å; E994-S997 PolarHBondContact O-N 3.48Å; S997-F1000 PolarHBondContact O-N 3.13Å; S997-N1001 PolarHBondContact O-N 3.25Å; S997-N1001 PolarHBondContact O-ND2 2.87Å
998I85.3Confident82.4Confident92 Ų92101.9 Ų101.947%0.47250%0.5SS..Hα-helixtrans-61.8-51.5174.4-65.9164.7000110.4E994 F996 F1000 N1001 E1002E994-I998 HydrophobicContact CG-CD1 4.36Å; E994-I998 WeakPolarHBondContact O-CG1 3.4Å; E994-I998 PolarHBondContact O-N 3.14Å; F996-I998 PolarHBondContact O-N 3.37Å; I998-F1000 VanDerWaalsContact C-N 3.31Å; I998-F1000 PolarHBondContact O-N 3.4Å; I998-N1001 PolarHBondContact O-N 3.36Å; I998-E1002 PolarHBondContact O-N 3.4Å
999K88.3Confident83.5Confident123 Ų123100 Ų10054%0.53550%0.496SS..Hα-helixtrans-59.8-40.6177.2-90.4-166.4174.2-167.40112.6K995 F996 N1001 E1002 Y1003K995-K999 PolarHBondContact O-N 3.29Å; F996-K999 PolarHBondContact O-N 3.44Å; K999-N1001 VanDerWaalsContact C-N 3.34Å; K999-E1002 PolarHBondContact O-N 3.29Å; K999-Y1003 HydrophobicContact CB-CD2 4.48Å; K999-Y1003 WeakPolarHBondContact O-CD2 3.45Å; K999-Y1003 PolarHBondContact O-N 3.35Å
1000F89.8Confident84.9Confident117 Ų117102.4 Ų102.451%0.51350%0.502SS..Hα-helixtrans-62.8-42.5178.4-178.3-94.8000111.2F996 S997 I998 Y1003 K1004F996-F1000 VanDerWaalsContact O-CB 3.27Å; F996-F1000 WeakPolarHBondContact O-CB 3.5Å; F996-F1000 PolarHBondContact O-N 3.2Å; S997-F1000 PolarHBondContact O-N 3.13Å; I998-F1000 VanDerWaalsContact C-N 3.31Å; I998-F1000 PolarHBondContact O-N 3.4Å; F1000-Y1003 PolarHBondContact O-N 3.44Å; F1000-K1004 VanDerWaalsContact O-CB 3.26Å; F1000-K1004 WeakPolarHBondContact O-CB 3.37Å; F1000-K1004 PolarHBondContact O-N 3.15Å
1001N86.7Confident85.7Confident88 Ų88103 Ų10347%0.47151%0.506SS..Hα-helixtrans-64-41.1174.1-75.9-29.1000112S997 I998 K999 K1004 I1005S997-N1001 PolarHBondContact O-N 3.25Å; S997-N1001 PolarHBondContact O-ND2 2.87Å; I998-N1001 PolarHBondContact O-N 3.36Å; K999-N1001 VanDerWaalsContact C-N 3.34Å; N1001-K1004 WeakPolarHBondContact O-CB 3.34Å; N1001-K1004 PolarHBondContact O-N 3.32Å; N1001-I1005 VanDerWaalsContact O-CG1 3.26Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.45Å; N1001-I1005 PolarHBondContact O-N 3.45Å
1002E86.8Confident86.5Confident122 Ų122103.9 Ų103.957%0.5751%0.512SS*.Hα-helixtrans-60.9-46.7173.7-72.6178.616300111.8I998 K999 K1004 I1005 N1006I998-E1002 PolarHBondContact O-N 3.4Å; K999-E1002 PolarHBondContact O-N 3.29Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 2.89Å; E1002-I1005 PolarHBondContact O-N 3.45Å; E1002-N1006 VanDerWaalsContact O-CB 3.29Å; E1002-N1006 WeakPolarHBondContact O-CB 3.36Å; E1002-N1006 PolarHBondContact O-N 3.21Å
1003Y88.2Confident87.4Confident157 Ų157102.9 Ų102.962%0.61651%0.505SS*.Hα-helixtrans-63.5-37176-81.2-64.4000112.6K999 F1000 N1006 S1007K999-Y1003 HydrophobicContact CB-CD2 4.48Å; K999-Y1003 WeakPolarHBondContact O-CD2 3.45Å; K999-Y1003 PolarHBondContact O-N 3.35Å; F1000-Y1003 PolarHBondContact O-N 3.44Å; Y1003-N1006 PolarHBondContact O-N 2.92Å; Y1003-S1007 WeakPolarHBondContact O-CB 3.45Å; Y1003-S1007 PolarHBondContact O-N 3.33Å
1004K90.9Very high88.2Confident111 Ų111107.3 Ų107.348%0.48352%0.519SS..Hα-helixtrans-63.3-51.5175.8-177.774.6-179.8178.80111F1000 N1001 E1002 N1006 S1007 D1008F1000-K1004 VanDerWaalsContact O-CB 3.26Å; F1000-K1004 WeakPolarHBondContact O-CB 3.37Å; F1000-K1004 PolarHBondContact O-N 3.15Å; N1001-K1004 WeakPolarHBondContact O-CB 3.34Å; N1001-K1004 PolarHBondContact O-N 3.32Å; E1002-K1004 VanDerWaalsContact C-N 3.32Å; E1002-K1004 PolarHBondContact O-N 2.89Å; K1004-N1006 VanDerWaalsContact C-N 3.28Å; K1004-N1006 PolarHBondContact O-N 3.23Å; K1004-S1007 WeakPolarHBondContact O-CB 3.47Å; K1004-S1007 PolarHBondContact O-N 3.28Å; K1004-D1008 PolarHBondContact O-N 2.88Å
1005I88.8Confident88.8Confident102 Ų102103.8 Ų103.852%0.52351%0.508SS..Hα-helixtrans-58.9-42.9176.6-67.8164.4000110.3N1001 E1002 D1008 N1009N1001-I1005 VanDerWaalsContact O-CG1 3.26Å; N1001-I1005 WeakPolarHBondContact O-CG1 3.45Å; N1001-I1005 PolarHBondContact O-N 3.45Å; E1002-I1005 PolarHBondContact O-N 3.45Å; I1005-D1008 PolarHBondContact O-N 3.23Å; I1005-N1009 WeakPolarHBondContact O-CB 3.42Å; I1005-N1009 VanDerWaalsContact O-CG 3.29Å; I1005-N1009 PolarHBondContact O-N 3.48Å
1006N88.2Confident89.2Confident74 Ų74100.8 Ų100.840%0.39650%0.502SS..Hα-helixtrans-65.3-40.1178.2-16340.5000112.2E1002 Y1003 K1004 N1009 F1010E1002-N1006 VanDerWaalsContact O-CB 3.29Å; E1002-N1006 WeakPolarHBondContact O-CB 3.36Å; E1002-N1006 PolarHBondContact O-N 3.21Å; Y1003-N1006 PolarHBondContact O-N 2.92Å; K1004-N1006 VanDerWaalsContact C-N 3.28Å; K1004-N1006 PolarHBondContact O-N 3.23Å; N1006-N1009 PolarHBondContact O-N 2.9Å; N1006-F1010 WeakPolarHBondContact ND2-CE2 3.25Å; N1006-F1010 WeakPolarHBondContact O-CD2 3.49Å; N1006-F1010 PolarHBondContact O-N 2.94Å
1007S89Confident89.6Confident70 Ų70100.6 Ų100.649%0.4951%0.505SS..Hα-helixtrans-62.7-43174-1740000112Y1003 K1004 N1009 F1010 Q1011Y1003-S1007 WeakPolarHBondContact O-CB 3.45Å; Y1003-S1007 PolarHBondContact O-N 3.33Å; K1004-S1007 WeakPolarHBondContact O-CB 3.47Å; K1004-S1007 PolarHBondContact O-N 3.28Å; S1007-N1009 VanDerWaalsContact C-N 3.34Å; S1007-F1010 PolarHBondContact O-N 3.43Å; S1007-Q1011 WeakPolarHBondContact O-CB 3.44Å; S1007-Q1011 PolarHBondContact O-N 2.91Å
1008D90.2Very high89.9Confident86 Ų86100.2 Ų100.246%0.4650%0.5SS..Hα-helixtrans-67.9-36.7178.6-65.8-23.7000110.8K1004 I1005 Q1011 S1012K1004-D1008 PolarHBondContact O-N 2.88Å; I1005-D1008 PolarHBondContact O-N 3.23Å; D1008-Q1011 PolarHBondContact O-N 3.31Å; D1008-S1012 WeakPolarHBondContact O-CB 3.27Å; D1008-S1012 PolarHBondContact O-N 3.45Å
1009N90.7Very high90.3Very high97 Ų97100.6 Ų100.652%0.51950%0.503SS..Hα-helixtrans-63.9-45.2172.1-75.9-8.8000112.4I1005 N1006 S1007 Q1011 S1012 M1013I1005-N1009 WeakPolarHBondContact O-CB 3.42Å; I1005-N1009 VanDerWaalsContact O-CG 3.29Å; I1005-N1009 PolarHBondContact O-N 3.48Å; N1006-N1009 PolarHBondContact O-N 2.9Å; S1007-N1009 VanDerWaalsContact C-N 3.34Å; N1009-Q1011 VanDerWaalsContact C-N 3.33Å; N1009-Q1011 PolarHBondContact O-N 3.04Å; N1009-S1012 PolarHBondContact O-N 3.36Å; N1009-M1013 WeakPolarHBondContact O-CB 3.24Å; N1009-M1013 PolarHBondContact O-N 2.96Å
1010F91.6Very high90.4Very high120 Ų12097.6 Ų97.653%0.52650%0.498SS..Hα-helixtrans-63.8-38.8175-76.1-56.6000112.1N1006 S1007 S1012 M1013 Y1014N1006-F1010 WeakPolarHBondContact ND2-CE2 3.25Å; N1006-F1010 WeakPolarHBondContact O-CD2 3.49Å; N1006-F1010 PolarHBondContact O-N 2.94Å; S1007-F1010 PolarHBondContact O-N 3.43Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; F1010-M1013 HydrophobicContact CD1-CE 4.46Å; F1010-M1013 PolarHBondContact O-N 2.89Å; F1010-Y1014 VanDerWaalsContact O-CB 3.28Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.31Å; F1010-Y1014 PolarHBondContact O-N 2.98Å
1011Q91Very high90.5Very high122 Ų12298.1 Ų98.157%0.5751%0.505SS*.Hα-helixtrans-63.5-41.5175.3-17363.629.800111.4S1007 D1008 N1009 S1015S1007-Q1011 WeakPolarHBondContact O-CB 3.44Å; S1007-Q1011 PolarHBondContact O-N 2.91Å; D1008-Q1011 PolarHBondContact O-N 3.31Å; N1009-Q1011 VanDerWaalsContact C-N 3.33Å; N1009-Q1011 PolarHBondContact O-N 3.04Å; Q1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Q1011-S1015 PolarHBondContact O-N 3.39Å
1012S92.1Very high90.8Very high71 Ų71100.3 Ų100.350%0.49751%0.512SS..Hα-helixtrans-63.8-44.9174.5-179.20000111.9D1008 N1009 F1010 S1015 T1016D1008-S1012 WeakPolarHBondContact O-CB 3.27Å; D1008-S1012 PolarHBondContact O-N 3.45Å; N1009-S1012 PolarHBondContact O-N 3.36Å; F1010-S1012 VanDerWaalsContact C-N 3.34Å; S1012-S1015 PolarHBondContact O-N 2.87Å; S1012-T1016 WeakPolarHBondContact O-CB 3.44Å; S1012-T1016 PolarHBondContact O-N 3.42Å; S1012-T1016 PolarHBondContact O-OG1 3.36Å
1013M92.4Very high91Very high106 Ų106100.2 Ų100.252%0.52251%0.512SS..Hα-helixtrans-62.1-46.8176.4-169.5-165-61.800111.3N1009 F1010 S1015 T1016 I1017N1009-M1013 WeakPolarHBondContact O-CB 3.24Å; N1009-M1013 PolarHBondContact O-N 2.96Å; F1010-M1013 HydrophobicContact CD1-CE 4.46Å; F1010-M1013 PolarHBondContact O-N 2.89Å; M1013-S1015 PolarHBondContact O-N 2.88Å; M1013-T1016 WeakPolarHBondContact O-CB 3.47Å; M1013-T1016 PolarHBondContact O-N 3.39Å; M1013-T1016 VanDerWaalsContact O-N 3.16Å; M1013-I1017 HydrophobicContact CG-CD1 4.11Å; M1013-I1017 WeakPolarHBondContact O-CG1 3.5Å; M1013-I1017 PolarHBondContact O-N 2.88Å
1014Y92.3Very high91.2Very high154 Ų15499.1 Ų99.160%0.60451%0.51SS*.Hα-helixtrans-58.8-46.6175.7-176.4-94000111.2F1010 T1016 I1017 V1018F1010-Y1014 VanDerWaalsContact O-CB 3.28Å; F1010-Y1014 WeakPolarHBondContact O-CB 3.31Å; F1010-Y1014 PolarHBondContact O-N 2.98Å; Y1014-T1016 VanDerWaalsContact C-N 3.29Å; Y1014-T1016 PolarHBondContact O-N 3.32Å; Y1014-I1017 PolarHBondContact O-N 2.87Å; Y1014-V1018 HydrophobicContact CD1-CG2 4Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.65Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.44Å; Y1014-V1018 WeakPolarHBondContact O-CB 3.31Å; Y1014-V1018 VanDerWaalsContact O-CG2 3.28Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.34Å; Y1014-V1018 PolarHBondContact O-N 3.37Å
1015S92.3Very high91.2Very high55 Ų5598.8 Ų98.839%0.38551%0.51SS..Hα-helixtrans-60.9-37.5176.2-168.20000112.5Q1011 S1012 M1013 N1019Q1011-S1015 WeakPolarHBondContact O-CB 3.49Å; Q1011-S1015 PolarHBondContact O-N 3.39Å; S1012-S1015 PolarHBondContact O-N 2.87Å; M1013-S1015 PolarHBondContact O-N 2.88Å; S1015-N1019 WeakPolarHBondContact O-CB 3.04Å; S1015-N1019 PolarHBondContact O-N 2.93Å; S1015-N1019 PolarHBondContact O-ND2 2.9Å
1016T91Very high91.3Very high79 Ų7996.5 Ų96.549%0.48551%0.507SS..Hα-helixtrans-68.4-42.8178.6-56.80000111.6S1012 M1013 Y1014 N1019 S1020S1012-T1016 WeakPolarHBondContact O-CB 3.44Å; S1012-T1016 PolarHBondContact O-N 3.42Å; S1012-T1016 PolarHBondContact O-OG1 3.36Å; M1013-T1016 WeakPolarHBondContact O-CB 3.47Å; M1013-T1016 PolarHBondContact O-N 3.39Å; M1013-T1016 VanDerWaalsContact O-N 3.16Å; Y1014-T1016 VanDerWaalsContact C-N 3.29Å; Y1014-T1016 PolarHBondContact O-N 3.32Å; T1016-N1019 PolarHBondContact O-N 2.86Å; T1016-S1020 WeakPolarHBondContact O-CB 3.45Å; T1016-S1020 PolarHBondContact O-N 3.15Å; T1016-S1020 PolarHBondContact O-OG 2.92Å
1017I91.5Very high91.2Very high104 Ų10495.8 Ų95.853%0.53350%0.501SS..Hα-helixtrans-65.6-44.4176.5-66.3166.7000110.4M1013 Y1014 N1019 S1020 L1021M1013-I1017 HydrophobicContact CG-CD1 4.11Å; M1013-I1017 WeakPolarHBondContact O-CG1 3.5Å; M1013-I1017 PolarHBondContact O-N 2.88Å; Y1014-I1017 PolarHBondContact O-N 2.87Å; I1017-N1019 PolarHBondContact O-N 3.44Å; I1017-S1020 PolarHBondContact O-N 3.49Å; I1017-L1021 WeakPolarHBondContact O-CB 3.4Å; I1017-L1021 PolarHBondContact O-N 3.49Å
1018V91.9Very high91.2Very high54 Ų5495.9 Ų95.933%0.32750%0.502SS..Hα-helixtrans-60.7-44.7176.8170.10000111.1Y1014 S1020 L1021 Q1022Y1014-V1018 HydrophobicContact CD1-CG2 4Å; Y1014-V1018 HydrophobicContact CE1-CG2 3.65Å; Y1014-V1018 HydrophobicContact CE2-CG2 4.44Å; Y1014-V1018 WeakPolarHBondContact O-CB 3.31Å; Y1014-V1018 VanDerWaalsContact O-CG2 3.28Å; Y1014-V1018 WeakPolarHBondContact O-CG2 3.34Å; Y1014-V1018 PolarHBondContact O-N 3.37Å; V1018-S1020 PolarHBondContact O-N 3.43Å; V1018-L1021 PolarHBondContact O-N 2.99Å; V1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; V1018-Q1022 PolarHBondContact O-N 3.05Å
1019N92.8Very high91.2Very high101 Ų10197 Ų9754%0.5450%0.504SS..Hα-helixtrans-63.3-41176.7-71.8-17.7000112.1S1015 T1016 I1017 L1021 Q1022 Q1023S1015-N1019 WeakPolarHBondContact O-CB 3.04Å; S1015-N1019 PolarHBondContact O-N 2.93Å; S1015-N1019 PolarHBondContact O-ND2 2.9Å; T1016-N1019 PolarHBondContact O-N 2.86Å; I1017-N1019 PolarHBondContact O-N 3.44Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; N1019-Q1022 PolarHBondContact O-N 2.98Å; N1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; N1019-Q1023 PolarHBondContact O-N 3.1Å
1020S89.7Confident91.3Very high60 Ų6097.8 Ų97.842%0.4251%0.508SS..Hα-helixtrans-64.7-39.5176.5-56.80000111.7T1016 I1017 V1018 Q1023 K1024T1016-S1020 WeakPolarHBondContact O-CB 3.45Å; T1016-S1020 PolarHBondContact O-N 3.15Å; T1016-S1020 PolarHBondContact O-OG 2.92Å; I1017-S1020 PolarHBondContact O-N 3.49Å; V1018-S1020 PolarHBondContact O-N 3.43Å; S1020-Q1023 PolarHBondContact O-N 2.99Å; S1020-K1024 WeakPolarHBondContact O-CB 3.35Å; S1020-K1024 WeakPolarHBondContact O-CG 3.41Å; S1020-K1024 PolarHBondContact O-N 3.32Å
1021L91.9Very high91.2Very high127 Ų12799.6 Ų99.667%0.66551%0.512SS*.Hα-helixtrans-66.7-42.3175.5-170.969000111.4I1017 V1018 N1019 Q1023 K1024 H1025I1017-L1021 WeakPolarHBondContact O-CB 3.4Å; I1017-L1021 PolarHBondContact O-N 3.49Å; V1018-L1021 PolarHBondContact O-N 2.99Å; N1019-L1021 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 PolarHBondContact O-N 3.31Å; L1021-K1024 PolarHBondContact O-N 2.97Å; L1021-H1025 WeakPolarHBondContact O-CB 3.47Å; L1021-H1025 PolarHBondContact O-N 3.24Å
1022Q92.6Very high91.1Very high134 Ų13499.8 Ų99.863%0.62651%0.513SS*.Hα-helixtrans-60.9-43175.2-167.588.613.800111.2V1018 N1019 H1025 A1026V1018-Q1022 WeakPolarHBondContact O-CB 3.38Å; V1018-Q1022 PolarHBondContact O-N 3.05Å; N1019-Q1022 PolarHBondContact O-N 2.98Å; Q1022-H1025 PolarHBondContact O-N 3.04Å; Q1022-A1026 PolarHBondContact O-N 2.97Å
1023Q91.6Very high91.1Very high121 Ų121101.7 Ų101.757%0.56551%0.514SS*.Hα-helixtrans-64.7-47176.2-179.7177.8-3.900111.6N1019 S1020 L1021 H1025 A1026 E1027N1019-Q1023 WeakPolarHBondContact O-CB 3.47Å; N1019-Q1023 PolarHBondContact O-N 3.1Å; S1020-Q1023 PolarHBondContact O-N 2.99Å; L1021-Q1023 VanDerWaalsContact C-N 3.34Å; L1021-Q1023 PolarHBondContact O-N 3.31Å; Q1023-H1025 VanDerWaalsContact C-N 3.26Å; Q1023-H1025 PolarHBondContact O-N 3.1Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.47Å; Q1023-A1026 PolarHBondContact O-N 3.36Å; Q1023-A1026 VanDerWaalsContact O-N 3.15Å; Q1023-E1027 PolarHBondContact NE2-OE1 3.25Å; Q1023-E1027 PolarHBondContact O-N 2.94Å
1024K92.5Very high91.1Very high133 Ų133103.5 Ų103.558%0.57852%0.519SS*.Hα-helixtrans-62.9-34176.4-77.3-72.3168.7-1560112.4S1020 L1021 E1027 S1028S1020-K1024 WeakPolarHBondContact O-CB 3.35Å; S1020-K1024 WeakPolarHBondContact O-CG 3.41Å; S1020-K1024 PolarHBondContact O-N 3.32Å; L1021-K1024 PolarHBondContact O-N 2.97Å; K1024-E1027 IonicContact NZ-OE2 3.29Å; K1024-E1027 PolarHBondContact NZ-OE2 2.87Å; K1024-S1028 WeakPolarHBondContact O-CB 3.48Å; K1024-S1028 PolarHBondContact O-N 3.03Å
1025H92.1Very high90.8Very high104 Ų104101.9 Ų101.948%0.48152%0.52SS..Hα-helixtrans-65.2-44.3172.6-174.955000111.9L1021 Q1022 Q1023 S1028 Q1029L1021-H1025 WeakPolarHBondContact O-CB 3.47Å; L1021-H1025 PolarHBondContact O-N 3.24Å; Q1022-H1025 PolarHBondContact O-N 3.04Å; Q1023-H1025 VanDerWaalsContact C-N 3.26Å; Q1023-H1025 PolarHBondContact O-N 3.1Å; H1025-S1028 PolarHBondContact O-N 3.38Å; H1025-Q1029 PolarHBondContact CD2-NE2 3.32Å; H1025-Q1029 PolarHBondContact CE1-NE2 2.95Å; H1025-Q1029 PolarHBondContact NE2-NE2 3.46Å; H1025-Q1029 WeakPolarHBondContact O-CG 3.4Å; H1025-Q1029 PolarHBondContact O-N 2.99Å
1026A90.7Very high90.6Very high55 Ų55104.4 Ų104.446%0.45553%0.526SS..Hα-helixtrans-62.5-43175.300000112.3Q1022 Q1023 Q1029 L1030Q1022-A1026 PolarHBondContact O-N 2.97Å; Q1023-A1026 WeakPolarHBondContact O-CB 3.47Å; Q1023-A1026 PolarHBondContact O-N 3.36Å; Q1023-A1026 VanDerWaalsContact O-N 3.15Å; A1026-Q1029 PolarHBondContact O-N 3.49Å; A1026-L1030 PolarHBondContact O-N 3.3Å; A1026-L1030 VanDerWaalsContact O-N 3.08Å
1027E85.1Confident90.4Very high58 Ų58105.8 Ų105.827%0.27153%0.526SS..Hα-helixtrans-60.4-45.3173.1-73.2173-162.800111.3Q1023 K1024 Q1029 L1030 Y1031Q1023-E1027 PolarHBondContact NE2-OE1 3.25Å; Q1023-E1027 PolarHBondContact O-N 2.94Å; K1024-E1027 IonicContact NZ-OE2 3.29Å; K1024-E1027 PolarHBondContact NZ-OE2 2.87Å; E1027-Q1029 VanDerWaalsContact C-N 3.3Å; E1027-Q1029 PolarHBondContact O-N 3.29Å; E1027-L1030 WeakPolarHBondContact O-CB 3.46Å; E1027-L1030 PolarHBondContact O-N 3.15Å; E1027-Y1031 HydrophobicContact CB-CE2 4.29Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.47Å; E1027-Y1031 PolarHBondContact O-N 3.02Å
1028S88.5Confident90.1Very high72 Ų72104 Ų10450%0.50352%0.523SS..Hα-helixtrans-61.6-36.5177.9-174.60000112.7K1024 H1025 H1032K1024-S1028 WeakPolarHBondContact O-CB 3.48Å; K1024-S1028 PolarHBondContact O-N 3.03Å; H1025-S1028 PolarHBondContact O-N 3.38Å; S1028-H1032 PolarHBondContact O-N 3.31Å; S1028-H1032 VanDerWaalsContact O-N 3.09Å
1029Q91.5Very high89.9Confident111 Ų111106.2 Ų106.252%0.51953%0.533SS..Hα-helixtrans-66.9-42.8174.8-72.5-179.33.800111.4H1025 A1026 E1027 Y1031 H1032 E1033H1025-Q1029 PolarHBondContact CD2-NE2 3.32Å; H1025-Q1029 PolarHBondContact CE1-NE2 2.95Å; H1025-Q1029 PolarHBondContact NE2-NE2 3.46Å; H1025-Q1029 WeakPolarHBondContact O-CG 3.4Å; H1025-Q1029 PolarHBondContact O-N 2.99Å; A1026-Q1029 PolarHBondContact O-N 3.49Å; E1027-Q1029 VanDerWaalsContact C-N 3.3Å; E1027-Q1029 PolarHBondContact O-N 3.29Å; Q1029-Y1031 VanDerWaalsContact C-N 3.35Å; Q1029-Y1031 PolarHBondContact O-N 3.48Å; Q1029-H1032 WeakPolarHBondContact O-CB 3.28Å; Q1029-H1032 PolarHBondContact O-N 3.02Å; Q1029-E1033 PolarHBondContact O-N 2.77Å
1030L92.7Very high89.7Confident112 Ų112105.4 Ų105.459%0.58653%0.528SS*.Hα-helixtrans-61.5-42176-16999.6000111.8A1026 E1027 H1032 E1033 K1034A1026-L1030 PolarHBondContact O-N 3.3Å; A1026-L1030 VanDerWaalsContact O-N 3.08Å; E1027-L1030 WeakPolarHBondContact O-CB 3.46Å; E1027-L1030 PolarHBondContact O-N 3.15Å; L1030-H1032 VanDerWaalsContact C-N 3.33Å; L1030-H1032 PolarHBondContact O-N 3.29Å; L1030-E1033 PolarHBondContact O-N 2.93Å; L1030-K1034 WeakPolarHBondContact O-CB 3.32Å; L1030-K1034 PolarHBondContact O-N 3.44Å
1031Y88.7Confident89.7Confident159 Ų159108.4 Ų108.462%0.62454%0.535SS*.Hα-helixtrans-63.2-39.2175-75.6-61.5000112.1E1027 Q1029 K1034 L1035E1027-Y1031 HydrophobicContact CB-CE2 4.29Å; E1027-Y1031 WeakPolarHBondContact O-CD2 3.47Å; E1027-Y1031 PolarHBondContact O-N 3.02Å; Q1029-Y1031 VanDerWaalsContact C-N 3.35Å; Q1029-Y1031 PolarHBondContact O-N 3.48Å; Y1031-K1034 PolarHBondContact O-N 3.17Å; Y1031-L1035 WeakPolarHBondContact O-CB 3.43Å; Y1031-L1035 PolarHBondContact O-N 3.35Å
1032H89.7Confident89.3Confident125 Ų125107.8 Ų107.858%0.57953%0.532SS*.Hα-helixtrans-65.8-43.9176.4-172.269.8000112S1028 Q1029 L1030 K1034 L1035 Q1036S1028-H1032 PolarHBondContact O-N 3.31Å; S1028-H1032 VanDerWaalsContact O-N 3.09Å; Q1029-H1032 WeakPolarHBondContact O-CB 3.28Å; Q1029-H1032 PolarHBondContact O-N 3.02Å; L1030-H1032 VanDerWaalsContact C-N 3.33Å; L1030-H1032 PolarHBondContact O-N 3.29Å; H1032-K1034 PolarHBondContact O-N 3.37Å; H1032-L1035 PolarHBondContact O-N 2.91Å; H1032-Q1036 PolarHBondContact O-N 2.99Å
1033E91Very high89.1Confident111 Ų111105.5 Ų105.552%0.51953%0.525SS..Hα-helixtrans-61.3-44.3176.2-173.3177.4-167.600111.5Q1029 L1030 L1035 Q1036 H1037Q1029-E1033 PolarHBondContact O-N 2.77Å; L1030-E1033 PolarHBondContact O-N 2.93Å; E1033-L1035 VanDerWaalsContact C-N 3.35Å; E1033-L1035 PolarHBondContact O-N 3.04Å; E1033-Q1036 WeakPolarHBondContact O-CB 3.34Å; E1033-Q1036 PolarHBondContact O-N 3.39Å; E1033-H1037 PolarHBondContact O-CD2 2.89Å; E1033-H1037 VanDerWaalsContact O-CD2 3.28Å; E1033-H1037 PolarHBondContact O-N 3.41Å
1034K92.3Very high89Confident145 Ų145104.6 Ų104.663%0.6352%0.52SS*.Hα-helixtrans-63.1-40176.1-171.5173.5-177.9178.70112.5L1030 Y1031 H1032 Q1036 H1037 S1038L1030-K1034 WeakPolarHBondContact O-CB 3.32Å; L1030-K1034 PolarHBondContact O-N 3.44Å; Y1031-K1034 PolarHBondContact O-N 3.17Å; H1032-K1034 PolarHBondContact O-N 3.37Å; K1034-Q1036 VanDerWaalsContact C-N 3.33Å; K1034-H1037 WeakPolarHBondContact O-CB 3.45Å; K1034-H1037 PolarHBondContact O-N 2.88Å; K1034-S1038 PolarHBondContact O-N 3.07Å
1035L86.1Confident88.7Confident120 Ų120103.6 Ų103.663%0.62852%0.519SS*.Hα-helixtrans-64.4-40175.6-172.768.8000111.2Y1031 H1032 E1033 H1037 S1038 L1039Y1031-L1035 WeakPolarHBondContact O-CB 3.43Å; Y1031-L1035 PolarHBondContact O-N 3.35Å; H1032-L1035 PolarHBondContact O-N 2.91Å; E1033-L1035 VanDerWaalsContact C-N 3.35Å; E1033-L1035 PolarHBondContact O-N 3.04Å; L1035-H1037 VanDerWaalsContact C-N 3.34Å; L1035-S1038 PolarHBondContact O-N 3.4Å; L1035-L1039 PolarHBondContact O-N 2.88Å
1036Q88.1Confident88.6Confident108 Ų108104.1 Ų104.151%0.50552%0.52SS..Hα-helixtrans-65-37.7175.3-166.6168.219.300111.8H1032 E1033 K1034 L1039 N1040H1032-Q1036 PolarHBondContact O-N 2.99Å; E1033-Q1036 WeakPolarHBondContact O-CB 3.34Å; E1033-Q1036 PolarHBondContact O-N 3.39Å; K1034-Q1036 VanDerWaalsContact C-N 3.33Å; Q1036-L1039 PolarHBondContact O-N 3.37Å; Q1036-N1040 VanDerWaalsContact O-CG 3.27Å; Q1036-N1040 PolarHBondContact O-N 3.39Å; Q1036-N1040 PolarHBondContact O-ND2 3.36Å
1037H88Confident88.7Confident107 Ų107106.6 Ų106.650%0.49552%0.52SS..Hα-helixtrans-61.5-47.8170.8-85.5-68.3000112.5E1033 K1034 L1035 L1039 N1040 E1041E1033-H1037 PolarHBondContact O-CD2 2.89Å; E1033-H1037 VanDerWaalsContact O-CD2 3.28Å; E1033-H1037 PolarHBondContact O-N 3.41Å; K1034-H1037 WeakPolarHBondContact O-CB 3.45Å; K1034-H1037 PolarHBondContact O-N 2.88Å; L1035-H1037 VanDerWaalsContact C-N 3.34Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 2.88Å; H1037-N1040 PolarHBondContact O-N 2.56Å; H1037-E1041 PolarHBondContact O-N 2.8Å
1038S84.8Confident88.8Confident66 Ų66111.4 Ų111.446%0.46254%0.536SS..Hα-helixtrans-62.9-35.1176.1-81.40000113.1K1034 L1035 E1041 L1042K1034-S1038 PolarHBondContact O-N 3.07Å; L1035-S1038 PolarHBondContact O-N 3.4Å; S1038-E1041 PolarHBondContact O-N 3.25Å; S1038-L1042 WeakPolarHBondContact O-CB 3.46Å; S1038-L1042 PolarHBondContact O-N 2.95Å
1039L87Confident88.8Confident102 Ų102115.9 Ų115.953%0.53454%0.542SS..Hα-helixtrans-65.2-41.5174.8-166.296.9000111.5L1035 Q1036 H1037 L1042 N1043L1035-L1039 PolarHBondContact O-N 2.88Å; Q1036-L1039 PolarHBondContact O-N 3.37Å; H1037-L1039 VanDerWaalsContact C-N 3.31Å; H1037-L1039 PolarHBondContact O-N 2.88Å; L1039-L1042 PolarHBondContact O-N 3.48Å; L1039-N1043 PolarHBondContact O-N 2.94Å; L1039-N1043 PolarHBondContact O-ND2 2.73Å
1040N89.8Confident88.7Confident84 Ų84115.1 Ų115.145%0.44954%0.538SS..Hα-helixtrans-65.9-42.9177.1-71.3-18.8000111.7Q1036 H1037 L1042 N1043 E1044Q1036-N1040 VanDerWaalsContact O-CG 3.27Å; Q1036-N1040 PolarHBondContact O-N 3.39Å; Q1036-N1040 PolarHBondContact O-ND2 3.36Å; H1037-N1040 PolarHBondContact O-N 2.56Å; N1040-L1042 VanDerWaalsContact C-N 3.32Å; N1040-L1042 PolarHBondContact O-N 3.47Å; N1040-N1043 PolarHBondContact O-N 2.86Å; N1040-E1044 PolarHBondContact O-N 2.87Å
1041E89.1Confident88.6Confident122 Ų122114.9 Ų114.957%0.5753%0.534SS*.Hα-helixtrans-60.7-40.3174.3-73.8179.9173.300112.1H1037 S1038 N1043 E1044 M1045H1037-E1041 PolarHBondContact O-N 2.8Å; S1038-E1041 PolarHBondContact O-N 3.25Å; E1041-N1043 VanDerWaalsContact C-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.34Å; E1041-E1044 PolarHBondContact O-N 3.29Å; E1041-M1045 WeakPolarHBondContact O-CB 3.47Å; E1041-M1045 WeakPolarHBondContact O-CG 3.43Å; E1041-M1045 PolarHBondContact O-N 3.45Å
1042L84Confident88.3Confident115 Ų115109.8 Ų109.860%0.60253%0.525SS*.Hα-helixtrans-63.9-39.3176.3-17465.4000112S1038 L1039 N1040 M1045 K1046S1038-L1042 WeakPolarHBondContact O-CB 3.46Å; S1038-L1042 PolarHBondContact O-N 2.95Å; L1039-L1042 PolarHBondContact O-N 3.48Å; N1040-L1042 VanDerWaalsContact C-N 3.32Å; N1040-L1042 PolarHBondContact O-N 3.47Å; L1042-M1045 PolarHBondContact O-N 3.26Å; L1042-K1046 WeakPolarHBondContact O-CB 3.49Å; L1042-K1046 PolarHBondContact O-N 2.88Å
1043N88.5Confident88.2Confident86 Ų86109.4 Ų109.446%0.4652%0.524SS..Hα-helixtrans-66.1-41.1175.5-75.5-32.1000112.2L1039 N1040 E1041 K1046 K1047L1039-N1043 PolarHBondContact O-N 2.94Å; L1039-N1043 PolarHBondContact O-ND2 2.73Å; N1040-N1043 PolarHBondContact O-N 2.86Å; E1041-N1043 VanDerWaalsContact C-N 3.34Å; E1041-N1043 PolarHBondContact O-N 3.34Å; N1043-K1046 WeakPolarHBondContact O-CB 3.47Å; N1043-K1046 PolarHBondContact O-N 2.98Å; N1043-K1047 PolarHBondContact O-N 3.42Å
1044E89.7Confident88.2Confident102 Ų102109.9 Ų109.948%0.47753%0.529SS..Hα-helixtrans-64.2-40.8174-74.9-64139.200111.8N1040 E1041 K1046 K1047 R1048N1040-E1044 PolarHBondContact O-N 2.87Å; E1041-E1044 PolarHBondContact O-N 3.29Å; E1044-K1046 VanDerWaalsContact C-N 3.33Å; E1044-K1046 PolarHBondContact O-N 3.17Å; E1044-K1047 PolarHBondContact O-N 2.97Å; E1044-R1048 WeakPolarHBondContact O-CG 3.35Å; E1044-R1048 PolarHBondContact O-N 3.03Å
1045M85.1Confident88.2Confident112 Ų112108.2 Ų108.255%0.55253%0.526SS*.Hα-helixtrans-64.8-37.2174.8-73.9-64.7-74.400112.3E1041 L1042 R1048 R1049E1041-M1045 WeakPolarHBondContact O-CB 3.47Å; E1041-M1045 WeakPolarHBondContact O-CG 3.43Å; E1041-M1045 PolarHBondContact O-N 3.45Å; L1042-M1045 PolarHBondContact O-N 3.26Å; M1045-R1048 PolarHBondContact O-N 2.97Å; M1045-R1049 WeakPolarHBondContact O-CB 3.4Å; M1045-R1049 PolarHBondContact O-N 3.03Å
1046K89.9Confident88.1Confident114 Ų114106.6 Ų106.650%0.49652%0.521SS..Hα-helixtrans-62.9-46174.2-171.8-173.8177.8-163.90111.1L1042 N1043 E1044 R1048 R1049 E1050L1042-K1046 WeakPolarHBondContact O-CB 3.49Å; L1042-K1046 PolarHBondContact O-N 2.88Å; N1043-K1046 WeakPolarHBondContact O-CB 3.47Å; N1043-K1046 PolarHBondContact O-N 2.98Å; E1044-K1046 VanDerWaalsContact C-N 3.33Å; E1044-K1046 PolarHBondContact O-N 3.17Å; K1046-R1048 PolarHBondContact O-N 3.36Å; K1046-R1049 WeakPolarHBondContact O-CB 3.36Å; K1046-R1049 PolarHBondContact O-N 3.21Å; K1046-E1050 VanDerWaalsContact CE-OE1 3.22Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.44Å; K1046-E1050 IonicContact NZ-OE1 3.4Å; K1046-E1050 WeakPolarHBondContact O-CG 3.31Å; K1046-E1050 PolarHBondContact O-N 3.07Å
1047K92.5Very high88.1Confident108 Ų108105.6 Ų105.647%0.4752%0.519SS..Hα-helixtrans-60.1-45.7176.5-176.2-177.6173.6-1700112.2N1043 E1044 R1049 E1050 E1051N1043-K1047 PolarHBondContact O-N 3.42Å; E1044-K1047 PolarHBondContact O-N 2.97Å; K1047-R1049 VanDerWaalsContact C-N 3.29Å; K1047-R1049 PolarHBondContact O-N 3.39Å; K1047-E1050 PolarHBondContact O-N 3.45Å; K1047-E1051 VanDerWaalsContact CE-OE1 3.24Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.38Å; K1047-E1051 WeakPolarHBondContact O-CG 3.47Å; K1047-E1051 PolarHBondContact O-N 3.01Å
1048R88.6Confident88.3Confident158 Ų158103.2 Ų103.260%0.59651%0.514SS*.Hα-helixtrans-62.4-35.1176.1-71-177.6-171.7-178.93.8112.8E1044 M1045 K1046 A1052E1044-R1048 WeakPolarHBondContact O-CG 3.35Å; E1044-R1048 PolarHBondContact O-N 3.03Å; M1045-R1048 PolarHBondContact O-N 2.97Å; K1046-R1048 PolarHBondContact O-N 3.36Å; R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 3.22Å
1049R87.6Confident88.3Confident167 Ų167104.7 Ų104.763%0.6352%0.517SS*.Hα-helixtrans-65-45.7174.8-174.4-170.9-62.2150.30.4111.3M1045 K1046 K1047 E1051 A1052 E1053M1045-R1049 WeakPolarHBondContact O-CB 3.4Å; M1045-R1049 PolarHBondContact O-N 3.03Å; K1046-R1049 WeakPolarHBondContact O-CB 3.36Å; K1046-R1049 PolarHBondContact O-N 3.21Å; K1047-R1049 VanDerWaalsContact C-N 3.29Å; K1047-R1049 PolarHBondContact O-N 3.39Å; R1049-E1051 VanDerWaalsContact C-N 3.34Å; R1049-E1051 PolarHBondContact O-N 2.95Å; R1049-A1052 PolarHBondContact O-N 2.95Å; R1049-E1053 WeakPolarHBondContact O-CB 3.35Å; R1049-E1053 PolarHBondContact O-N 2.99Å
1050E89.5Confident88.4Confident95 Ų95108.6 Ų108.644%0.44452%0.524SS..Hα-helixtrans-61.5-41.9177.2-69.2168-172.400111.3K1046 K1047 E1053 I1054K1046-E1050 VanDerWaalsContact CE-OE1 3.22Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.44Å; K1046-E1050 IonicContact NZ-OE1 3.4Å; K1046-E1050 WeakPolarHBondContact O-CG 3.31Å; K1046-E1050 PolarHBondContact O-N 3.07Å; K1047-E1050 PolarHBondContact O-N 3.45Å; E1050-E1053 PolarHBondContact O-N 3.41Å; E1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; E1050-I1054 PolarHBondContact O-N 3.37Å; E1050-I1054 VanDerWaalsContact O-N 3.13Å
1051E91.1Very high88.3Confident106 Ų106111.3 Ų111.350%0.49553%0.534SS..Hα-helixtrans-63-42174.6-71.4171.3-177.200112.4K1047 R1049 I1054 L1055K1047-E1051 VanDerWaalsContact CE-OE1 3.24Å; K1047-E1051 WeakPolarHBondContact CE-OE1 3.38Å; K1047-E1051 WeakPolarHBondContact O-CG 3.47Å; K1047-E1051 PolarHBondContact O-N 3.01Å; R1049-E1051 VanDerWaalsContact C-N 3.34Å; R1049-E1051 PolarHBondContact O-N 2.95Å; E1051-I1054 PolarHBondContact O-N 2.96Å; E1051-L1055 PolarHBondContact O-N 3.49Å
1052A81.9Confident88.4Confident53 Ų53110.9 Ų110.944%0.43853%0.532SS..Hα-helixtrans-66.1-37.3176.300000112.2R1048 R1049 L1055 V1056R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 3.22Å; R1049-A1052 PolarHBondContact O-N 2.95Å; A1052-L1055 PolarHBondContact O-N 3.36Å; A1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; A1052-V1056 PolarHBondContact O-N 2.92Å
1053E88.7Confident88.5Confident117 Ų117111.2 Ų111.255%0.54753%0.534SS..Hα-helixtrans-65.9-39.9178-171170.9-178.200111.9R1049 E1050 L1055 V1056 N1057R1049-E1053 WeakPolarHBondContact O-CB 3.35Å; R1049-E1053 PolarHBondContact O-N 2.99Å; E1050-E1053 PolarHBondContact O-N 3.41Å; E1053-L1055 VanDerWaalsContact C-N 3.32Å; E1053-L1055 PolarHBondContact O-N 2.97Å; E1053-V1056 PolarHBondContact O-N 3.37Å; E1053-N1057 WeakPolarHBondContact O-CB 3.4Å; E1053-N1057 VanDerWaalsContact O-CG 3.27Å; E1053-N1057 PolarHBondContact O-N 3.33Å; E1053-N1057 PolarHBondContact O-ND2 2.94Å
1054I90.4Very high88.3Confident121 Ų121112.7 Ų112.762%0.62154%0.542SS*.Hα-helixtrans-60.9-42.7173.1-66.1165.5000110.8E1050 E1051 N1057 S1058E1050-I1054 WeakPolarHBondContact O-CG1 3.39Å; E1050-I1054 PolarHBondContact O-N 3.37Å; E1050-I1054 VanDerWaalsContact O-N 3.13Å; E1051-I1054 PolarHBondContact O-N 2.96Å; I1054-N1057 PolarHBondContact O-N 2.94Å; I1054-S1058 PolarHBondContact O-N 3.21Å
1055L92.3Very high88.3Confident110 Ų110112.3 Ų112.358%0.57655%0.546SS*.Hα-helixtrans-64.8-43.7178.2-174.470.5000111.9E1051 A1052 E1053 N1057 S1058 L1059E1051-L1055 PolarHBondContact O-N 3.49Å; A1052-L1055 PolarHBondContact O-N 3.36Å; E1053-L1055 VanDerWaalsContact C-N 3.32Å; E1053-L1055 PolarHBondContact O-N 2.97Å; L1055-N1057 VanDerWaalsContact C-N 3.33Å; L1055-N1057 PolarHBondContact O-N 3.36Å; L1055-S1058 WeakPolarHBondContact O-CB 3.32Å; L1055-S1058 PolarHBondContact O-N 3.05Å; L1055-L1059 HydrophobicContact CG-CD1 4.49Å; L1055-L1059 PolarHBondContact O-N 3Å
1056V84.4Confident88.2Confident85 Ų85112.9 Ų112.952%0.51555%0.546SS..Hα-helixtrans-61.8-42.3177168.90000111.1A1052 E1053 L1059 R1060A1052-V1056 WeakPolarHBondContact O-CG2 3.5Å; A1052-V1056 PolarHBondContact O-N 2.92Å; E1053-V1056 PolarHBondContact O-N 3.37Å; V1056-L1059 PolarHBondContact O-N 3.15Å; V1056-R1060 WeakPolarHBondContact O-CB 3.36Å; V1056-R1060 PolarHBondContact O-N 3.5Å
1057N88.1Confident87.9Confident88 Ų88112.1 Ų112.147%0.47154%0.544SS..Hα-helixtrans-63.8-40.8176.5-71.2-26.1000111.7E1053 I1054 L1055 R1060 E1061E1053-N1057 WeakPolarHBondContact O-CB 3.4Å; E1053-N1057 VanDerWaalsContact O-CG 3.27Å; E1053-N1057 PolarHBondContact O-N 3.33Å; E1053-N1057 PolarHBondContact O-ND2 2.94Å; I1054-N1057 PolarHBondContact O-N 2.94Å; L1055-N1057 VanDerWaalsContact C-N 3.33Å; L1055-N1057 PolarHBondContact O-N 3.36Å; N1057-R1060 PolarHBondContact O-N 3.17Å; N1057-E1061 PolarHBondContact O-N 3.15Å
1058S91.4Very high87.5Confident57 Ų57113.6 Ų113.640%0.39955%0.554SS.*Hα-helixtrans-62.3-43.1174.2175.30000113.1I1054 L1055 E1061 Q1062I1054-S1058 PolarHBondContact O-N 3.21Å; L1055-S1058 WeakPolarHBondContact O-CB 3.32Å; L1055-S1058 PolarHBondContact O-N 3.05Å; S1058-E1061 PolarHBondContact O-N 3.4Å; S1058-Q1062 WeakPolarHBondContact O-CG 3.4Å; S1058-Q1062 PolarHBondContact O-N 2.9Å; S1058-Q1062 VanDerWaalsContact O-N 3.1Å; S1058-Q1062 PolarHBondContact OG-NE2 3.3Å
1059L85.4Confident87.4Confident97 Ų97110.7 Ų110.751%0.50855%0.547SS..Hα-helixtrans-66.4-37.8176.6-73.7173.1000112L1055 V1056 E1061 Q1062 L1063L1055-L1059 HydrophobicContact CG-CD1 4.49Å; L1055-L1059 PolarHBondContact O-N 3Å; V1056-L1059 PolarHBondContact O-N 3.15Å; L1059-E1061 VanDerWaalsContact C-N 3.34Å; L1059-Q1062 PolarHBondContact O-N 3.42Å; L1059-L1063 WeakPolarHBondContact O-CB 3.5Å; L1059-L1063 PolarHBondContact O-N 2.86Å
1060R89Confident87Confident183 Ų183106.4 Ų106.469%0.69154%0.539SS*.Hα-helixtrans-62.8-40.5175.1179.2177.6-80.6-111.10.4111.8V1056 N1057 L1063 N1064V1056-R1060 WeakPolarHBondContact O-CB 3.36Å; V1056-R1060 PolarHBondContact O-N 3.5Å; N1057-R1060 PolarHBondContact O-N 3.17Å; R1060-L1063 PolarHBondContact O-N 3.16Å; R1060-N1064 PolarHBondContact O-N 2.91Å; R1060-N1064 VanDerWaalsContact O-N 3.12Å
1061E87.2Confident86.5Confident142 Ų142106.3 Ų106.366%0.66454%0.542SS*.Hα-helixtrans-61.5-47.1174.5-165.1103.1-152.100111.1N1057 S1058 L1059 L1063 N1064 V1065N1057-E1061 PolarHBondContact O-N 3.15Å; S1058-E1061 PolarHBondContact O-N 3.4Å; L1059-E1061 VanDerWaalsContact C-N 3.34Å; E1061-L1063 PolarHBondContact O-N 3.46Å; E1061-N1064 PolarHBondContact O-N 3.32Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; E1061-V1065 PolarHBondContact O-N 2.81Å; E1061-V1065 VanDerWaalsContact O-N 3.13Å
1062Q90.9Very high86.1Confident112 Ų112106.6 Ų106.652%0.52355%0.547SS..Hα-helixtrans-62.6-39.8178-72176.868.100112.8S1058 L1059 N1064 V1065 K1066S1058-Q1062 WeakPolarHBondContact O-CG 3.4Å; S1058-Q1062 PolarHBondContact O-N 2.9Å; S1058-Q1062 VanDerWaalsContact O-N 3.1Å; S1058-Q1062 PolarHBondContact OG-NE2 3.3Å; L1059-Q1062 PolarHBondContact O-N 3.42Å; Q1062-N1064 VanDerWaalsContact C-N 3.32Å; Q1062-N1064 PolarHBondContact O-N 3.36Å; Q1062-V1065 PolarHBondContact O-N 3.36Å; Q1062-K1066 WeakPolarHBondContact O-CG 3.34Å; Q1062-K1066 PolarHBondContact O-N 2.91Å
1063L86.9Confident86Confident122 Ų122108.9 Ų108.964%0.63955%0.551SS**Hα-helixtrans-61.8-41.4175.7-17767000111.4L1059 R1060 E1061 V1065 K1066 Q1067L1059-L1063 WeakPolarHBondContact O-CB 3.5Å; L1059-L1063 PolarHBondContact O-N 2.86Å; R1060-L1063 PolarHBondContact O-N 3.16Å; E1061-L1063 PolarHBondContact O-N 3.46Å; L1063-V1065 PolarHBondContact O-N 2.87Å; L1063-K1066 PolarHBondContact O-N 2.96Å; L1063-Q1067 WeakPolarHBondContact O-CB 3.43Å; L1063-Q1067 PolarHBondContact O-N 3.33Å
1064N84.3Confident85.6Confident118 Ų118107.1 Ų107.163%0.63155%0.548SS*.Hα-helixtrans-64.9-40.2179-16224.6000111.7R1060 E1061 Q1062 Q1067 M1068R1060-N1064 PolarHBondContact O-N 2.91Å; R1060-N1064 VanDerWaalsContact O-N 3.12Å; E1061-N1064 PolarHBondContact O-N 3.32Å; Q1062-N1064 VanDerWaalsContact C-N 3.32Å; Q1062-N1064 PolarHBondContact O-N 3.36Å; N1064-Q1067 PolarHBondContact O-N 2.9Å; N1064-M1068 PolarHBondContact O-N 3.28Å
1065V88.3Confident85.1Confident94 Ų94108.8 Ų108.857%0.5755%0.551SS**Hα-helixtrans-62.2-44.5173.9174.40000111.2E1061 Q1062 L1063 M1068 E1069E1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; E1061-V1065 PolarHBondContact O-N 2.81Å; E1061-V1065 VanDerWaalsContact O-N 3.13Å; Q1062-V1065 PolarHBondContact O-N 3.36Å; L1063-V1065 PolarHBondContact O-N 2.87Å; V1065-M1068 PolarHBondContact O-N 3.21Å; V1065-E1069 PolarHBondContact O-N 2.92Å
1066K83.4Confident84.6Confident124 Ų124110.9 Ų110.954%0.53956%0.557SS.*Hα-helixtrans-68.7-36.9-179.6-73.6-73.5163.3-163.30112.9Q1062 L1063 M1068 E1069 V1070Q1062-K1066 WeakPolarHBondContact O-CG 3.34Å; Q1062-K1066 PolarHBondContact O-N 2.91Å; L1063-K1066 PolarHBondContact O-N 2.96Å; K1066-M1068 VanDerWaalsContact C-N 3.3Å; K1066-M1068 PolarHBondContact O-N 3.39Å; K1066-E1069 IonicContact NZ-OE2 3.38Å; K1066-E1069 PolarHBondContact NZ-OE2 3.27Å; K1066-E1069 PolarHBondContact O-N 3.43Å; K1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; K1066-V1070 PolarHBondContact O-N 2.97Å; K1066-V1070 VanDerWaalsContact O-N 3.12Å
1067Q84.4Confident84.1Confident97 Ų97110.6 Ų110.645%0.45356%0.559SS.*Hα-helixtrans-61.2-41.4174.8-172.959.955.100111.4L1063 N1064 E1069 V1070 D1071L1063-Q1067 WeakPolarHBondContact O-CB 3.43Å; L1063-Q1067 PolarHBondContact O-N 3.33Å; N1064-Q1067 PolarHBondContact O-N 2.9Å; Q1067-E1069 VanDerWaalsContact C-N 3.33Å; Q1067-E1069 PolarHBondContact O-N 3.4Å; Q1067-V1070 PolarHBondContact O-N 3.28Å; Q1067-D1071 PolarHBondContact NE2-OD1 3.4Å; Q1067-D1071 VanDerWaalsContact NE2-OD1 3.13Å; Q1067-D1071 PolarHBondContact O-N 3.45Å; Q1067-D1071 VanDerWaalsContact O-N 3.1Å
1068M83.1Confident83.1Confident139 Ų139113.1 Ų113.169%0.68557%0.57SS**Hα-helixtrans-65.5-33.7177.5-169.1163.5135.300112.8N1064 V1065 K1066 D1072N1064-M1068 PolarHBondContact O-N 3.28Å; V1065-M1068 PolarHBondContact O-N 3.21Å; K1066-M1068 VanDerWaalsContact C-N 3.3Å; K1066-M1068 PolarHBondContact O-N 3.39Å; M1068-D1072 PolarHBondContact O-N 2.94Å
1069E86.6Confident82.2Confident97 Ų97114.1 Ų114.145%0.45358%0.577SS.*Hα-helixtrans-67.5-40.4174.3-172.4177.2-170.100112.2V1065 K1066 Q1067 D1072 I1073V1065-E1069 PolarHBondContact O-N 2.92Å; K1066-E1069 IonicContact NZ-OE2 3.38Å; K1066-E1069 PolarHBondContact NZ-OE2 3.27Å; K1066-E1069 PolarHBondContact O-N 3.43Å; Q1067-E1069 VanDerWaalsContact C-N 3.33Å; Q1067-E1069 PolarHBondContact O-N 3.4Å; E1069-D1072 PolarHBondContact O-N 3.47Å; E1069-I1073 HydrophobicContact CG-CD1 4.45Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; E1069-I1073 PolarHBondContact O-N 3.5Å
1070V79.3Confident81Confident77 Ų77116.1 Ų116.147%0.46759%0.585SS.*Hα-helixtrans-65-43.5177.2171.50000111.4K1066 Q1067 D1072 I1073 V1074K1066-V1070 WeakPolarHBondContact O-CG2 3.4Å; K1066-V1070 PolarHBondContact O-N 2.97Å; K1066-V1070 VanDerWaalsContact O-N 3.12Å; Q1067-V1070 PolarHBondContact O-N 3.28Å; V1070-D1072 VanDerWaalsContact C-N 3.27Å; V1070-D1072 PolarHBondContact O-N 3.3Å; V1070-I1073 PolarHBondContact O-N 3.43Å; V1070-V1074 HydrophobicContact CG1-CG2 4.42Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; V1070-V1074 PolarHBondContact O-N 2.96Å
1071D79.5Confident79.4Confident93 Ų93112.7 Ų112.750%0.49758%0.581SS.*Hα-helixtrans-61.9-35.4-179.4-70.3-9.4000112Q1067 K1075Q1067-D1071 PolarHBondContact NE2-OD1 3.4Å; Q1067-D1071 VanDerWaalsContact NE2-OD1 3.13Å; Q1067-D1071 PolarHBondContact O-N 3.45Å; Q1067-D1071 VanDerWaalsContact O-N 3.1Å; D1071-K1075 PolarHBondContact O-N 2.99Å
1072D82.5Confident77.8Confident112 Ų112113.7 Ų113.760%0.59959%0.585SS**Hα-helixtrans-69.2-41.5175.4-100.83.6000112.6M1068 E1069 V1070 K1075 Q1076M1068-D1072 PolarHBondContact O-N 2.94Å; E1069-D1072 PolarHBondContact O-N 3.47Å; V1070-D1072 VanDerWaalsContact C-N 3.27Å; V1070-D1072 PolarHBondContact O-N 3.3Å; D1072-K1075 WeakPolarHBondContact O-CB 3.29Å; D1072-K1075 PolarHBondContact O-N 3.38Å; D1072-Q1076 PolarHBondContact O-N 2.97Å; D1072-Q1076 VanDerWaalsContact O-N 3.16Å
1073I79.4Confident76.1Confident101 Ų101113 Ų11352%0.51859%0.589SS.*Hα-helixtrans-63.9-43.2178.2-67.7169000111.1E1069 V1070 K1075 Q1076 S1077E1069-I1073 HydrophobicContact CG-CD1 4.45Å; E1069-I1073 WeakPolarHBondContact O-CG1 3.4Å; E1069-I1073 PolarHBondContact O-N 3.5Å; V1070-I1073 PolarHBondContact O-N 3.43Å; I1073-K1075 VanDerWaalsContact C-N 3.26Å; I1073-K1075 PolarHBondContact O-N 2.87Å; I1073-Q1076 PolarHBondContact O-N 3.28Å; I1073-S1077 PolarHBondContact O-N 3.37Å
1074V80.9Confident74.5Confident80 Ų80112.1 Ų112.149%0.48558%0.584SS.*Hα-helixtrans-59.6-40.9177.8170.70000110.7V1070 Q1076 S1077 M1078V1070-V1074 HydrophobicContact CG1-CG2 4.42Å; V1070-V1074 WeakPolarHBondContact O-CG2 3.38Å; V1070-V1074 PolarHBondContact O-N 2.96Å; V1074-Q1076 VanDerWaalsContact C-N 3.33Å; V1074-Q1076 PolarHBondContact O-N 3.23Å; V1074-S1077 PolarHBondContact O-N 2.96Å; V1074-M1078 PolarHBondContact O-N 2.95Å
1075K80.6Confident72.5Confident157 Ų157111 Ų11168%0.68358%0.582SS**Hα-helixtrans-63.5-38.2178.2-145.9174.1-171.5175.90112.4D1071 D1072 I1073D1071-K1075 PolarHBondContact O-N 2.99Å; D1072-K1075 WeakPolarHBondContact O-CB 3.29Å; D1072-K1075 PolarHBondContact O-N 3.38Å; I1073-K1075 VanDerWaalsContact C-N 3.26Å; I1073-K1075 PolarHBondContact O-N 2.87Å
1076Q80.5Confident70.7Confident153 Ų153110.6 Ų110.672%0.71559%0.588SS**Hα-helixtrans-69.7-39177.4-161.717523.200112.2D1072 I1073 V1074 S1079D1072-Q1076 PolarHBondContact O-N 2.97Å; D1072-Q1076 VanDerWaalsContact O-N 3.16Å; I1073-Q1076 PolarHBondContact O-N 3.28Å; V1074-Q1076 VanDerWaalsContact C-N 3.33Å; V1074-Q1076 PolarHBondContact O-N 3.23Å; Q1076-S1079 PolarHBondContact O-N 2.97Å
1077S73.4Confident68.8Low80 Ų80109.1 Ų109.156%0.55959%0.593SS**Hα-helixtrans-60.9-42.9176.4169.80000112.7I1073 V1074 S1079 M1080 N1081I1073-S1077 PolarHBondContact O-N 3.37Å; V1074-S1077 PolarHBondContact O-N 2.96Å; S1077-S1079 VanDerWaalsContact C-N 3.29Å; S1077-S1079 PolarHBondContact O-N 3.38Å; S1077-M1080 PolarHBondContact O-N 3.41Å; S1077-N1081 PolarHBondContact O-N 3.49Å
1078M68.7Low66.4Low141 Ų141109.9 Ų109.970%0.69560%0.604SS**Hα-helixtrans-61.3-36.4179.6-71.8-176.573.100112.7V1074 M1080V1074-M1078 PolarHBondContact O-N 2.95Å; M1078-M1080 PolarHBondContact O-N 3.37Å
1079S71Confident64.2Low78 Ų78112.7 Ų112.755%0.54561%0.613SS.*Hα-helixtrans-68.6-32.4179179.90000113.5Q1076 S1077Q1076-S1079 PolarHBondContact O-N 2.97Å; S1077-S1079 VanDerWaalsContact C-N 3.29Å; S1077-S1079 PolarHBondContact O-N 3.38Å
1080M60.1Low61.8Low139 Ų139117.2 Ų117.269%0.68563%0.632SS**Hα-helixtrans-75-34.6-176.9-176.6162.4-91.400112.7S1077 M1078 E1082 T1083S1077-M1080 PolarHBondContact O-N 3.41Å; M1078-M1080 PolarHBondContact O-N 3.37Å; M1080-E1082 VanDerWaalsContact C-N 3.33Å; M1080-E1082 PolarHBondContact O-N 3.44Å; M1080-T1083 PolarHBondContact O-N 3.49Å
1081N55.7Low59.9Low111 Ų111119.3 Ų119.359%0.59464%0.644SS**Hα-helixtrans-71.3-27.9-176.9-156.536.6000113S1077 T1083 I1084 T1085S1077-N1081 PolarHBondContact O-N 3.49Å; N1081-T1083 PolarHBondContact O-N 2.87Å; N1081-I1084 PolarHBondContact O-N 3.3Å; N1081-T1085 PolarHBondContact O-OG1 3.13Å
1082E53.9Low57.4Low162 Ų162122.3 Ų122.376%0.75766%0.66SS**Hα-helixtrans-63.7-27.6175-124.1174.3-176.400112.4M1080M1080-E1082 VanDerWaalsContact C-N 3.33Å; M1080-E1082 PolarHBondContact O-N 3.44Å
1083T56.7Low54.8Low97 Ų97126.4 Ų126.460%0.59568%0.676SS**Hα-helixtrans-80.1-34-177.3-510000112.8M1080 N1081 T1085M1080-T1083 PolarHBondContact O-N 3.49Å; N1081-T1083 PolarHBondContact O-N 2.87Å; T1083-T1085 PolarHBondContact O-N 2.96Å
1084I51.7Low52.4Low104 Ų104127.2 Ų127.253%0.53369%0.69SS.*Hα-helixtrans-71.4-34-174-61.2172.6000110.9N1081 A1086 S1087N1081-I1084 PolarHBondContact O-N 3.3Å; I1084-A1086 VanDerWaalsContact C-N 3.27Å; I1084-A1086 PolarHBondContact O-N 2.64Å; I1084-S1087 PolarHBondContact O-N 2.97Å
1085T43.7Very low49.9Very low96 Ų96129.3 Ų129.359%0.58971%0.708SS**THydrogen-bonded Turntrans-69.1-21.6-175.3-43.60000113.5N1081 T1083N1081-T1085 PolarHBondContact O-OG1 3.13Å; T1083-T1085 PolarHBondContact O-N 2.96Å
1086A48.8Very low47.4Very low85 Ų85131 Ų13170%0.70272%0.716SS**THydrogen-bonded Turntrans-78.3-23.417900000113.8I1084I1084-A1086 VanDerWaalsContact C-N 3.27Å; I1084-A1086 PolarHBondContact O-N 2.64Å
1087S45.4Very low44.9Very low93 Ų93129 Ų12965%0.6571%0.714SS**THydrogen-bonded Turntrans-89.4-15.5-169-620000114.3I1084I1084-S1087 PolarHBondContact O-N 2.97Å
1088T33.9Very low42.6Very low112 Ų112132.3 Ų132.369%0.68772%0.721SS**THydrogen-bonded Turntrans-87-9.1-168.8-48.50000114.6
1089K35.1Very low40.6Very low198 Ų198133.4 Ų133.486%0.86172%0.722SS**THydrogen-bonded Turntrans-94.94.4-172.3-72.7-176179.7176.20116.6
1090F37.3Very low38.5Very low193 Ų193137 Ų13785%0.84673%0.73SS**SBendtrans-106-1.4-166.4-169.4-106.3000116.8
1091V38.9Very low37.1Very low121 Ų121138 Ų13873%0.73373%0.733SS**  trans-111.6-10.4-160.91790000116.6Q1093V1091-Q1093 PolarHBondContact O-N 3.47Å
1092D28.2Very low35.9Very low155 Ų155138.8 Ų138.883%0.82973%0.733SS**  trans-103.269.4-169.3-70.9-28.2000115
1093Q27.8Very low35.5Very low198 Ų198137.9 Ų137.993%0.92574%0.738SS**  trans-167.872164.7-117.6162.12800114.7V1091V1091-Q1093 PolarHBondContact O-N 3.47Å
1094S28.9Very low34.8Very low118 Ų118136.1 Ų136.183%0.82573%0.73SS**  trans-166.7104.5167-170.50000112.3
1095S27.5Very low34.2Very low124 Ų124136.3 Ų136.387%0.86773%0.732SS**  trans164.2111.6156.9-79.10000112.8
1096K27.5Very low34.1Very low194 Ų194139.5 Ų139.584%0.84374%0.74SS**  trans-179.9146.1141.4-138.4-179.1169.4169.40116
1097T29.6Very low34.3Very low109 Ų109144 Ų14467%0.66975%0.747SS**  trans78.2144.4154.367.10000117.9
1098H24.6Very low34.8Very low151 Ų151141.5 Ų141.570%0.69973%0.725SS**  cis-170.7139.49.7-131.8-112000105.2
1099F25.7Very low35.4Very low164 Ų164141.5 Ų141.572%0.71972%0.72SS**  43.1134.792.8-80.5-72.9000113.6
1100E27.1Very low36.5Very low154 Ų154138 Ų13872%0.7271%0.709SS**  cis171.1-171.129.4-140.7150-155.900108.4
1101E31.9Very low37.7Very low159 Ų159129.9 Ų129.974%0.74368%0.678SS**  trans98.490.6145.5-87.6-176.7148.500123.9
1102E29.8Very low39.4Very low127 Ų127126.2 Ų126.259%0.59365%0.653SS**  697099.2-152.2164-175.200120.7S1104 K1108E1102-S1104 PolarHBondContact O-OG 2.95Å; E1102-K1108 IonicContact OE1-NZ 3.55Å
1103T46.1Very low41.1Very low143 Ų143124.2 Ų124.288%0.87764%0.64SS**  trans-125128.7150.359.10000113.6
1104S42Very low43.2Very low60 Ų60120.7 Ų120.742%0.4262%0.624SS.*  cis164.5139.5-36.7-100.10000108.1E1102 K1108E1102-S1104 PolarHBondContact O-OG 2.95Å; S1104-K1108 WeakPolarHBondContact OG-CE 3.44Å; S1104-K1108 PolarHBondContact OG-NZ 3.35Å
1105N39.4Very low45.6Very low108 Ų108120.7 Ų120.758%0.57861%0.606SS**SBendtrans135.1-75.5154.5-21.6-59.2000116.7K1108N1105-K1108 VanDerWaalsContact C-N 3.35Å; N1105-K1108 VanDerWaalsContact CG-CE 3.4Å; N1105-K1108 VanDerWaalsContact O-CB 3.29Å; N1105-K1108 WeakPolarHBondContact O-CB 3.3Å; N1105-K1108 WeakPolarHBondContact OD1-CD 3.45Å; N1105-K1108 WeakPolarHBondContact OD1-CE 3.41Å; N1105-K1108 PolarHBondContact OD1-NZ 3.05Å
1106E40.2Very low48.4Very low163 Ų163119 Ų11976%0.76259%0.587SS**SBendtrans-138.5-25.1-164.9-152.2165.7169.900113.3K1108 L1109 I1110E1106-K1108 PolarHBondContact O-N 2.91Å; E1106-L1109 HydrophobicContact CG-CB 4.43Å; E1106-L1109 PolarHBondContact O-N 2.99Å; E1106-I1110 PolarHBondContact O-N 3.43Å
1107E54.2Low51Low180 Ų180116.1 Ų116.184%0.84158%0.576SS**THydrogen-bonded Turn-64.718.1127-155.4180-144.200111A1111E1107-A1111 HydrophobicContact CG-CB 4.18Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å
1108K55.6Low53.6Low41 Ų41113.5 Ų113.518%0.17857%0.565CS.*THydrogen-bonded Turntrans-118.16150.6-70.8-166.7-138.3179.70113.6E1102 S1104 N1105 E1106 E1112E1102-K1108 IonicContact OE1-NZ 3.55Å; S1104-K1108 WeakPolarHBondContact OG-CE 3.44Å; S1104-K1108 PolarHBondContact OG-NZ 3.35Å; N1105-K1108 VanDerWaalsContact C-N 3.35Å; N1105-K1108 VanDerWaalsContact CG-CE 3.4Å; N1105-K1108 VanDerWaalsContact O-CB 3.29Å; N1105-K1108 WeakPolarHBondContact O-CB 3.3Å; N1105-K1108 WeakPolarHBondContact OD1-CD 3.45Å; N1105-K1108 WeakPolarHBondContact OD1-CE 3.41Å; N1105-K1108 PolarHBondContact OD1-NZ 3.05Å; E1106-K1108 PolarHBondContact O-N 2.91Å; K1108-E1112 WeakPolarHBondContact O-CA 3.4Å; K1108-E1112 WeakPolarHBondContact O-CB 3.28Å; K1108-E1112 PolarHBondContact O-N 2.91Å
1109L46.5Very low56.5Low111 Ų111110 Ų11058%0.58155%0.549SS*.THydrogen-bonded Turntrans-111.7-45.9173.2-152.786.6000115.7E1106 A1111 E1112 I1113E1106-L1109 HydrophobicContact CG-CB 4.43Å; E1106-L1109 PolarHBondContact O-N 2.99Å; L1109-A1111 VanDerWaalsContact C-N 3.33Å; L1109-E1112 HydrophobicContact CB-CB 4.35Å; L1109-E1112 HydrophobicContact CD1-CB 3.88Å; L1109-E1112 HydrophobicContact CD1-CG 4.32Å; L1109-E1112 HydrophobicContact CG-CB 4.12Å; L1109-E1112 CarbonylContact O-C 3.48Å; L1109-E1112 VanDerWaalsContact O-CA 3.25Å; L1109-E1112 WeakPolarHBondContact O-CA 3.48Å; L1109-E1112 WeakPolarHBondContact O-CB 3.49Å; L1109-E1112 PolarHBondContact O-N 3.26Å; L1109-I1113 PolarHBondContact O-N 2.82Å
1110I58.3Low59.2Low126 Ų126107.6 Ų107.665%0.64654%0.543SS*.Hα-helixtrans-75.1-36.5159.5-73.4171.2000109.2E1106 E1112 I1113 Q1114E1106-I1110 PolarHBondContact O-N 3.43Å; I1110-E1112 PolarHBondContact O-N 3.49Å; I1110-I1113 PolarHBondContact O-N 2.93Å; I1110-Q1114 VanDerWaalsContact O-CB 3.31Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1110-Q1114 WeakPolarHBondContact O-CG 3.48Å; I1110-Q1114 PolarHBondContact O-N 3.11Å
1111A61.4Low62.2Low22 Ų22103.4 Ų103.418%0.18253%0.528CS..Hα-helixtrans-71-3.5155.200000113.3E1107 L1109 R1115E1107-A1111 HydrophobicContact CG-CB 4.18Å; E1107-A1111 WeakPolarHBondContact O-CB 3.5Å; L1109-A1111 VanDerWaalsContact C-N 3.33Å; A1111-R1115 WeakPolarHBondContact O-CA 3.47Å; A1111-R1115 WeakPolarHBondContact O-CB 3.41Å; A1111-R1115 PolarHBondContact O-N 3.3Å
1112E74.2Confident64.9Low44 Ų44101 Ų10121%0.20652%0.517CS..Hα-helixtrans-77.1-44.1163.6-17666.1-172.500107.5K1108 L1109 I1110 R1115 L1116K1108-E1112 WeakPolarHBondContact O-CA 3.4Å; K1108-E1112 WeakPolarHBondContact O-CB 3.28Å; K1108-E1112 PolarHBondContact O-N 2.91Å; L1109-E1112 HydrophobicContact CB-CB 4.35Å; L1109-E1112 HydrophobicContact CD1-CB 3.88Å; L1109-E1112 HydrophobicContact CD1-CG 4.32Å; L1109-E1112 HydrophobicContact CG-CB 4.12Å; L1109-E1112 CarbonylContact O-C 3.48Å; L1109-E1112 VanDerWaalsContact O-CA 3.25Å; L1109-E1112 WeakPolarHBondContact O-CA 3.48Å; L1109-E1112 WeakPolarHBondContact O-CB 3.49Å; L1109-E1112 PolarHBondContact O-N 3.26Å; I1110-E1112 PolarHBondContact O-N 3.49Å; E1112-R1115 CarbonylContact O-C 3.37Å; E1112-R1115 PolarHBondContact O-N 2.92Å; E1112-R1115 IonicContact OE1-CZ 3.49Å; E1112-R1115 IonicContact OE1-NE 3.25Å; E1112-R1115 IonicContact OE1-NH2 2.67Å; E1112-R1115 PolarHBondContact OE1-NH2 3.21Å; E1112-R1115 IonicContact OE2-CZ 3.87Å; E1112-R1115 IonicContact OE2-NE 3.51Å; E1112-R1115 PolarHBondContact OE2-NE 3.38Å; E1112-R1115 IonicContact OE2-NH2 2.86Å; E1112-R1115 PolarHBondContact OE2-NH2 3.3Å; E1112-L1116 HydrophobicContact CG-CD1 3.78Å; E1112-L1116 HydrophobicContact CG-CG 3.92Å; E1112-L1116 WeakPolarHBondContact O-CA 3.49Å; E1112-L1116 WeakPolarHBondContact O-CB 3.45Å; E1112-L1116 WeakPolarHBondContact O-CG 3.37Å; E1112-L1116 PolarHBondContact O-N 3.39Å
1113I64.9Low67.8Low112 Ų11298 Ų9857%0.57450%0.503SS*.Hα-helixtrans-72.8-45.7-178.1-65174.6000109.6L1109 I1110 R1115 L1116 Q1117L1109-I1113 PolarHBondContact O-N 2.82Å; I1110-I1113 PolarHBondContact O-N 2.93Å; I1113-R1115 VanDerWaalsContact C-N 3.31Å; I1113-L1116 PolarHBondContact O-N 2.91Å; I1113-L1116 VanDerWaalsContact O-N 3.17Å; I1113-Q1117 VanDerWaalsContact O-CB 3.3Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 PolarHBondContact O-N 3.13Å
1114Q72.2Confident69.7Low124 Ų12497.3 Ų97.358%0.57949%0.49SS*.Hα-helixtrans-64.5-35.8169.6-68.3175.7-35.700110.9I1110 A1118I1110-Q1114 VanDerWaalsContact O-CB 3.31Å; I1110-Q1114 WeakPolarHBondContact O-CB 3.36Å; I1110-Q1114 WeakPolarHBondContact O-CG 3.48Å; I1110-Q1114 PolarHBondContact O-N 3.11Å; Q1114-A1118 WeakPolarHBondContact O-CA 3.28Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 2.82Å
1115R79.8Confident72Confident119 Ų119100.2 Ų100.245%0.44950%0.497SS..Hα-helixtrans-68.3-32.5169176.8-17695.696.83112.2A1111 E1112 I1113 A1118 H1119A1111-R1115 WeakPolarHBondContact O-CA 3.47Å; A1111-R1115 WeakPolarHBondContact O-CB 3.41Å; A1111-R1115 PolarHBondContact O-N 3.3Å; E1112-R1115 CarbonylContact O-C 3.37Å; E1112-R1115 PolarHBondContact O-N 2.92Å; E1112-R1115 IonicContact OE1-CZ 3.49Å; E1112-R1115 IonicContact OE1-NE 3.25Å; E1112-R1115 IonicContact OE1-NH2 2.67Å; E1112-R1115 PolarHBondContact OE1-NH2 3.21Å; E1112-R1115 IonicContact OE2-CZ 3.87Å; E1112-R1115 IonicContact OE2-NE 3.51Å; E1112-R1115 PolarHBondContact OE2-NE 3.38Å; E1112-R1115 IonicContact OE2-NH2 2.86Å; E1112-R1115 PolarHBondContact OE2-NH2 3.3Å; I1113-R1115 VanDerWaalsContact C-N 3.31Å; R1115-A1118 CarbonylContact O-C 3.57Å; R1115-H1119 VanDerWaalsContact O-CA 3.22Å; R1115-H1119 WeakPolarHBondContact O-CA 3.47Å; R1115-H1119 WeakPolarHBondContact O-CB 3.36Å; R1115-H1119 PolarHBondContact O-N 2.91Å
1116L85.3Confident74.2Confident88 Ų8898.1 Ų98.146%0.46149%0.491SS..Hα-helixtrans-75.6-38.1-178.8-83.4172.6000108.3E1112 I1113 L1120E1112-L1116 HydrophobicContact CG-CD1 3.78Å; E1112-L1116 HydrophobicContact CG-CG 3.92Å; E1112-L1116 WeakPolarHBondContact O-CA 3.49Å; E1112-L1116 WeakPolarHBondContact O-CB 3.45Å; E1112-L1116 WeakPolarHBondContact O-CG 3.37Å; E1112-L1116 PolarHBondContact O-N 3.39Å; I1113-L1116 PolarHBondContact O-N 2.91Å; I1113-L1116 VanDerWaalsContact O-N 3.17Å; L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.47Å; L1116-L1120 PolarHBondContact O-N 3.41Å
1117Q83.4Confident76.2Confident134 Ų13497.9 Ų97.963%0.62649%0.485SS*.Hα-helixtrans-72.5-44.4174.5-157.6174.210.500111I1113 H1119 L1120 V1121I1113-Q1117 VanDerWaalsContact O-CB 3.3Å; I1113-Q1117 WeakPolarHBondContact O-CB 3.4Å; I1113-Q1117 PolarHBondContact O-N 3.13Å; Q1117-H1119 VanDerWaalsContact C-N 3.3Å; Q1117-H1119 PolarHBondContact O-N 2.96Å; Q1117-L1120 PolarHBondContact O-N 3.4Å; Q1117-V1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.49Å; Q1117-V1121 PolarHBondContact O-N 2.9Å
1118A82.4Confident77.9Confident53 Ų5393.1 Ų93.144%0.43847%0.468SS..Hα-helixtrans-65.9-31.3171.400000111.8Q1114 R1115 V1121 E1122Q1114-A1118 WeakPolarHBondContact O-CA 3.28Å; Q1114-A1118 WeakPolarHBondContact O-CB 3.46Å; Q1114-A1118 PolarHBondContact O-N 2.82Å; R1115-A1118 CarbonylContact O-C 3.57Å; A1118-V1121 CarbonylContact O-C 3.59Å; A1118-E1122 WeakPolarHBondContact O-CA 3.43Å; A1118-E1122 WeakPolarHBondContact O-CB 3.39Å; A1118-E1122 PolarHBondContact O-N 3.39Å
1119H85.5Confident79.6Confident77 Ų7794 Ų9436%0.35648%0.479SS..Hα-helixtrans-78-32.3174.9178-90.3000110.4R1115 Q1117 M1123R1115-H1119 VanDerWaalsContact O-CA 3.22Å; R1115-H1119 WeakPolarHBondContact O-CA 3.47Å; R1115-H1119 WeakPolarHBondContact O-CB 3.36Å; R1115-H1119 PolarHBondContact O-N 2.91Å; Q1117-H1119 VanDerWaalsContact C-N 3.3Å; Q1117-H1119 PolarHBondContact O-N 2.96Å; H1119-M1123 WeakPolarHBondContact CE1-CE 3.36Å; H1119-M1123 WeakPolarHBondContact ND1-CE 3.44Å; H1119-M1123 WeakPolarHBondContact O-CA 3.07Å; H1119-M1123 WeakPolarHBondContact O-CB 3.37Å; H1119-M1123 PolarHBondContact O-N 3.05Å
1120L83.3Confident81.7Confident115 Ų11594.2 Ų94.260%0.60248%0.477SS*.Hα-helixtrans-66.9-44.2171.5-15087.2000109.4L1116 Q1117 M1123 E1124L1116-L1120 VanDerWaalsContact O-CB 3.3Å; L1116-L1120 WeakPolarHBondContact O-CB 3.47Å; L1116-L1120 PolarHBondContact O-N 3.41Å; Q1117-L1120 PolarHBondContact O-N 3.4Å; L1120-M1123 PolarHBondContact O-N 3.41Å; L1120-E1124 VanDerWaalsContact O-CB 3.22Å; L1120-E1124 WeakPolarHBondContact O-CB 3.46Å; L1120-E1124 PolarHBondContact O-N 3.34Å
1121V89.6Confident83.2Confident66 Ų6691 Ų9140%0.447%0.469SS..Hα-helixtrans-64.6-45.8173.5169.50000110.8Q1117 A1118 M1123 E1124 E1125Q1117-V1121 WeakPolarHBondContact O-CB 3.38Å; Q1117-V1121 WeakPolarHBondContact O-CG2 3.49Å; Q1117-V1121 PolarHBondContact O-N 2.9Å; A1118-V1121 CarbonylContact O-C 3.59Å; V1121-M1123 VanDerWaalsContact C-N 3.3Å; V1121-M1123 PolarHBondContact O-N 3.15Å; V1121-E1124 CarbonylContact O-C 3.51Å; V1121-E1124 PolarHBondContact O-N 3.48Å; V1121-E1125 HydrophobicContact CG1-CG 4.16Å; V1121-E1125 WeakPolarHBondContact CG1-OE1 3.45Å; V1121-E1125 WeakPolarHBondContact O-CA 3.38Å; V1121-E1125 WeakPolarHBondContact O-CB 3.38Å; V1121-E1125 VanDerWaalsContact O-CG 3.25Å; V1121-E1125 WeakPolarHBondContact O-CG 3.29Å; V1121-E1125 PolarHBondContact O-N 2.84Å
1122E89.7Confident84.7Confident108 Ų10894.2 Ų94.251%0.50549%0.486SS..Hα-helixtrans-67.4-32.8177.9179.1-178.1-166.700110.7A1118 E1125 S1126A1118-E1122 WeakPolarHBondContact O-CA 3.43Å; A1118-E1122 WeakPolarHBondContact O-CB 3.39Å; A1118-E1122 PolarHBondContact O-N 3.39Å; E1122-E1125 CarbonylContact O-C 3.59Å; E1122-S1126 WeakPolarHBondContact O-CA 3.38Å; E1122-S1126 WeakPolarHBondContact O-CB 3.4Å; E1122-S1126 PolarHBondContact O-N 2.71Å; E1122-S1126 PolarHBondContact O-OG 3.29Å
1123M89.2Confident85.5Confident63 Ų6396.4 Ų96.431%0.3150%0.499SS..Hα-helixtrans-72.4-39.4173.6-176.8-169.3-5700110H1119 L1120 V1121 S1126 Y1127H1119-M1123 WeakPolarHBondContact CE1-CE 3.36Å; H1119-M1123 WeakPolarHBondContact ND1-CE 3.44Å; H1119-M1123 WeakPolarHBondContact O-CA 3.07Å; H1119-M1123 WeakPolarHBondContact O-CB 3.37Å; H1119-M1123 PolarHBondContact O-N 3.05Å; L1120-M1123 PolarHBondContact O-N 3.41Å; V1121-M1123 VanDerWaalsContact C-N 3.3Å; V1121-M1123 PolarHBondContact O-N 3.15Å; M1123-S1126 PolarHBondContact O-N 2.85Å; M1123-Y1127 HydrophobicContact CG-CD2 3.69Å; M1123-Y1127 HydrophobicContact CG-CE2 3.25Å; M1123-Y1127 VanDerWaalsContact O-CB 3.27Å; M1123-Y1127 WeakPolarHBondContact O-CB 3.39Å; M1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; M1123-Y1127 PolarHBondContact O-N 2.9Å; M1123-Y1127 HydrophobicContact SD-CD2 4.43Å; M1123-Y1127 HydrophobicContact SD-CE2 3.53Å; M1123-Y1127 VanDerWaalsContact SD-CE2 3.53Å
1124E87.4Confident86.7Confident129 Ų12993.2 Ų93.260%0.60349%0.489SS*.Hα-helixtrans-68.8-40.1173.8-160.6171-149.600111L1120 V1121 Y1127 T1128L1120-E1124 VanDerWaalsContact O-CB 3.22Å; L1120-E1124 WeakPolarHBondContact O-CB 3.46Å; L1120-E1124 PolarHBondContact O-N 3.34Å; V1121-E1124 CarbonylContact O-C 3.51Å; V1121-E1124 PolarHBondContact O-N 3.48Å; E1124-Y1127 PolarHBondContact O-N 2.89Å; E1124-T1128 WeakPolarHBondContact O-CB 3.49Å; E1124-T1128 VanDerWaalsContact O-CG2 3.24Å; E1124-T1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-T1128 PolarHBondContact O-N 3.3Å; E1124-T1128 PolarHBondContact O-OG1 2.94Å
1125E90.5Very high87.6Confident121 Ų12193.2 Ų93.257%0.56549%0.489SS*.Hα-helixtrans-65.5-36.7170.2-76.6179.3-179.200111.1V1121 E1122 T1128 S1129V1121-E1125 HydrophobicContact CG1-CG 4.16Å; V1121-E1125 WeakPolarHBondContact CG1-OE1 3.45Å; V1121-E1125 WeakPolarHBondContact O-CA 3.38Å; V1121-E1125 WeakPolarHBondContact O-CB 3.38Å; V1121-E1125 VanDerWaalsContact O-CG 3.25Å; V1121-E1125 WeakPolarHBondContact O-CG 3.29Å; V1121-E1125 PolarHBondContact O-N 2.84Å; E1122-E1125 CarbonylContact O-C 3.59Å; E1125-T1128 WeakPolarHBondContact CA-OG1 3.28Å; E1125-T1128 PolarHBondContact O-OG1 2.89Å; E1125-S1129 WeakPolarHBondContact O-CA 3.43Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 3.33Å
1126S84.7Confident88.2Confident64 Ų6492.8 Ų92.845%0.44850%0.496SS..Hα-helixtrans-73.6-38.4175.5-67.40000110.7E1122 M1123 E1130E1122-S1126 WeakPolarHBondContact O-CA 3.38Å; E1122-S1126 WeakPolarHBondContact O-CB 3.4Å; E1122-S1126 PolarHBondContact O-N 2.71Å; E1122-S1126 PolarHBondContact O-OG 3.29Å; M1123-S1126 PolarHBondContact O-N 2.85Å; S1126-E1130 WeakPolarHBondContact O-CB 3.46Å; S1126-E1130 PolarHBondContact O-N 2.88Å
1127Y83.3Confident88.5Confident159 Ų15996.6 Ų96.662%0.62450%0.504SS*.Hα-helixtrans-69.4-39.2173.9-74.8-43.6000111.3M1123 E1124 A1131M1123-Y1127 HydrophobicContact CG-CD2 3.69Å; M1123-Y1127 HydrophobicContact CG-CE2 3.25Å; M1123-Y1127 VanDerWaalsContact O-CB 3.27Å; M1123-Y1127 WeakPolarHBondContact O-CB 3.39Å; M1123-Y1127 WeakPolarHBondContact O-CD2 3.48Å; M1123-Y1127 PolarHBondContact O-N 2.9Å; M1123-Y1127 HydrophobicContact SD-CD2 4.43Å; M1123-Y1127 HydrophobicContact SD-CE2 3.53Å; M1123-Y1127 VanDerWaalsContact SD-CE2 3.53Å; E1124-Y1127 PolarHBondContact O-N 2.89Å; Y1127-A1131 WeakPolarHBondContact O-CB 3.41Å; Y1127-A1131 PolarHBondContact O-N 3.42Å
1128T88.1Confident88.9Confident79 Ų7994.6 Ų94.649%0.48550%0.495SS..Hα-helixtrans-71.5-38.3173.752.70000111.6E1124 E1125 A1131 V1132E1124-T1128 WeakPolarHBondContact O-CB 3.49Å; E1124-T1128 VanDerWaalsContact O-CG2 3.24Å; E1124-T1128 WeakPolarHBondContact O-CG2 3.47Å; E1124-T1128 PolarHBondContact O-N 3.3Å; E1124-T1128 PolarHBondContact O-OG1 2.94Å; E1125-T1128 WeakPolarHBondContact CA-OG1 3.28Å; E1125-T1128 PolarHBondContact O-OG1 2.89Å; T1128-A1131 PolarHBondContact O-N 2.99Å; T1128-V1132 WeakPolarHBondContact O-CB 3.23Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; T1128-V1132 PolarHBondContact O-N 2.88Å
1129S92.4Very high89.5Confident59 Ų5995.9 Ų95.941%0.41350%0.497SS..Hα-helixtrans-63.6-48.2173.2-176.20000110.8E1125 A1131 V1132 I1133E1125-S1129 WeakPolarHBondContact O-CA 3.43Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 3.33Å; S1129-A1131 VanDerWaalsContact C-N 3.31Å; S1129-A1131 PolarHBondContact O-N 3.31Å; S1129-V1132 CarbonylContact O-C 3.55Å; S1129-V1132 PolarHBondContact O-N 3.45Å; S1129-I1133 WeakPolarHBondContact O-CB 3.28Å; S1129-I1133 WeakPolarHBondContact O-CD1 3.35Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; S1129-I1133 PolarHBondContact O-N 2.83Å
1130E90.2Very high89.9Confident116 Ų11696.7 Ų96.754%0.54250%0.501SS..Hα-helixtrans-63.2-37.6175-177.259.8-15500111.2S1126 I1133 A1134S1126-E1130 WeakPolarHBondContact O-CB 3.46Å; S1126-E1130 PolarHBondContact O-N 2.88Å; E1130-I1133 PolarHBondContact O-N 2.99Å; E1130-A1134 WeakPolarHBondContact O-CB 3.47Å; E1130-A1134 PolarHBondContact O-N 3.4Å
1131A91Very high90.3Very high59 Ų5995.6 Ų95.649%0.48850%0.495SS..Hα-helixtrans-65.2-40.1173.500000112.3Y1127 T1128 S1129 A1134 E1135Y1127-A1131 WeakPolarHBondContact O-CB 3.41Å; Y1127-A1131 PolarHBondContact O-N 3.42Å; T1128-A1131 PolarHBondContact O-N 2.99Å; S1129-A1131 VanDerWaalsContact C-N 3.31Å; S1129-A1131 PolarHBondContact O-N 3.31Å; A1131-A1134 PolarHBondContact O-N 3.2Å; A1131-E1135 WeakPolarHBondContact O-CB 3.28Å; A1131-E1135 PolarHBondContact O-N 3.44Å
1132V92.6Very high90.5Very high89 Ų89100.1 Ų100.154%0.53951%0.505SS..Hα-helixtrans-68.6-41.4175.11680000110.9T1128 S1129 A1134 E1135 N1136T1128-V1132 WeakPolarHBondContact O-CB 3.23Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; T1128-V1132 PolarHBondContact O-N 2.88Å; S1129-V1132 CarbonylContact O-C 3.55Å; S1129-V1132 PolarHBondContact O-N 3.45Å; V1132-A1134 VanDerWaalsContact C-N 3.34Å; V1132-E1135 PolarHBondContact O-N 2.9Å; V1132-N1136 VanDerWaalsContact O-CB 3.28Å; V1132-N1136 WeakPolarHBondContact O-CB 3.35Å; V1132-N1136 PolarHBondContact O-N 3.42Å
1133I90.9Very high90.7Very high90 Ų9098.4 Ų98.446%0.46251%0.505SS..Hα-helixtrans-63.5-43.2174.8-69.8163.5000109.6S1129 E1130 N1136 R1137S1129-I1133 WeakPolarHBondContact O-CB 3.28Å; S1129-I1133 WeakPolarHBondContact O-CD1 3.35Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.34Å; S1129-I1133 PolarHBondContact O-N 2.83Å; E1130-I1133 PolarHBondContact O-N 2.99Å; I1133-N1136 PolarHBondContact O-N 2.86Å; I1133-R1137 VanDerWaalsContact O-CB 3.28Å; I1133-R1137 WeakPolarHBondContact O-CB 3.5Å; I1133-R1137 PolarHBondContact O-N 3.17Å
1134A89.2Confident91Very high46 Ų46102.4 Ų102.438%0.3852%0.517SS..Hα-helixtrans-64.8-41.817600000111.9E1130 A1131 V1132 R1137 E1138E1130-A1134 WeakPolarHBondContact O-CB 3.47Å; E1130-A1134 PolarHBondContact O-N 3.4Å; A1131-A1134 PolarHBondContact O-N 3.2Å; V1132-A1134 VanDerWaalsContact C-N 3.34Å; A1134-R1137 PolarHBondContact O-N 3.39Å; A1134-E1138 WeakPolarHBondContact O-CB 3.44Å; A1134-E1138 PolarHBondContact O-N 3.44Å
1135E90.4Very high91.3Very high123 Ų123100.9 Ų100.958%0.57551%0.512SS*.Hα-helixtrans-62.8-45.2173.2-176.5179.7-170.400110.8A1131 V1132 R1137 E1138 V1139A1131-E1135 WeakPolarHBondContact O-CB 3.28Å; A1131-E1135 PolarHBondContact O-N 3.44Å; V1132-E1135 PolarHBondContact O-N 2.9Å; E1135-R1137 VanDerWaalsContact C-N 3.33Å; E1135-R1137 PolarHBondContact O-N 3.34Å; E1135-E1138 CarbonylContact O-C 3.57Å; E1135-E1138 WeakPolarHBondContact O-CB 3.08Å; E1135-E1138 PolarHBondContact O-N 2.93Å; E1135-E1138 VanDerWaalsContact O-N 3.11Å; E1135-V1139 HydrophobicContact CG-CG2 4.48Å; E1135-V1139 VanDerWaalsContact O-CG2 3.32Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.25Å; E1135-V1139 PolarHBondContact O-N 3.18Å
1136N94Very high91.5Very high110 Ų110102.5 Ų102.559%0.58852%0.517SS*.Hα-helixtrans-63.9-40.2178.3-162.534.4000111.3V1132 I1133 V1139 E1140V1132-N1136 VanDerWaalsContact O-CB 3.28Å; V1132-N1136 WeakPolarHBondContact O-CB 3.35Å; V1132-N1136 PolarHBondContact O-N 3.42Å; I1133-N1136 PolarHBondContact O-N 2.86Å; N1136-V1139 PolarHBondContact O-N 3.22Å; N1136-E1140 WeakPolarHBondContact O-CB 3.44Å; N1136-E1140 PolarHBondContact O-N 3.38Å
1137R90.9Very high91.9Very high169 Ų169105.9 Ų105.964%0.63853%0.526SS*.Hα-helixtrans-63.1-39.9171.5-178.7-179.8176.31690.7111.6I1133 A1134 E1135 L1141I1133-R1137 VanDerWaalsContact O-CB 3.28Å; I1133-R1137 WeakPolarHBondContact O-CB 3.5Å; I1133-R1137 PolarHBondContact O-N 3.17Å; A1134-R1137 PolarHBondContact O-N 3.39Å; E1135-R1137 VanDerWaalsContact C-N 3.33Å; E1135-R1137 PolarHBondContact O-N 3.34Å; R1137-L1141 HydrophobicContact CG-CD1 4.12Å; R1137-L1141 HydrophobicContact CG-CG 4.46Å; R1137-L1141 VanDerWaalsContact O-CB 3.31Å; R1137-L1141 WeakPolarHBondContact O-CB 3.4Å; R1137-L1141 WeakPolarHBondContact O-CG 3.34Å; R1137-L1141 PolarHBondContact O-N 2.91Å
1138E92.1Very high92.4Very high91 Ų91102.8 Ų102.843%0.42552%0.524SS..Hα-helixtrans-66.5-42.2176.3-172.9-177.9166.200111.4A1134 E1135 L1141 R1142A1134-E1138 WeakPolarHBondContact O-CB 3.44Å; A1134-E1138 PolarHBondContact O-N 3.44Å; E1135-E1138 CarbonylContact O-C 3.57Å; E1135-E1138 WeakPolarHBondContact O-CB 3.08Å; E1135-E1138 PolarHBondContact O-N 2.93Å; E1135-E1138 VanDerWaalsContact O-N 3.11Å; E1138-L1141 PolarHBondContact O-N 3.3Å; E1138-R1142 WeakPolarHBondContact O-CB 3.29Å; E1138-R1142 WeakPolarHBondContact O-CG 3.35Å; E1138-R1142 PolarHBondContact O-N 3.22Å; E1138-R1142 IonicContact OE1-CZ 3.95Å; E1138-R1142 IonicContact OE1-NE 2.82Å; E1138-R1142 PolarHBondContact OE1-NE 2.96Å; E1138-R1142 IonicContact OE1-NH1 2.79Å; E1138-R1142 IonicContact OE1-NH2 3.88Å; E1138-R1142 PolarHBondContact OE1-NH2 3.46Å
1139V93.8Very high92.7Very high81 Ų81104.6 Ų104.649%0.49153%0.527SS..Hα-helixtrans-63.6-44.7175.6171.30000110.6E1135 N1136 R1142 S1143E1135-V1139 HydrophobicContact CG-CG2 4.48Å; E1135-V1139 VanDerWaalsContact O-CG2 3.32Å; E1135-V1139 WeakPolarHBondContact O-CG2 3.25Å; E1135-V1139 PolarHBondContact O-N 3.18Å; N1136-V1139 PolarHBondContact O-N 3.22Å; V1139-R1142 PolarHBondContact O-N 2.7Å; V1139-S1143 WeakPolarHBondContact O-CB 3.48Å; V1139-S1143 PolarHBondContact O-N 3.5Å
1140E95.1Very high92.7Very high94 Ų94109 Ų10944%0.43954%0.538SS..Hα-helixtrans-61.6-46.5175.1-174-178.1-17700111.4N1136 R1142 S1143 R1144N1136-E1140 WeakPolarHBondContact O-CB 3.44Å; N1136-E1140 PolarHBondContact O-N 3.38Å; E1140-R1142 VanDerWaalsContact C-N 3.34Å; E1140-R1142 PolarHBondContact O-N 2.86Å; E1140-S1143 WeakPolarHBondContact O-CB 3.43Å; E1140-S1143 PolarHBondContact O-N 3.22Å; E1140-R1144 WeakPolarHBondContact O-CG 3.43Å; E1140-R1144 PolarHBondContact O-N 3.45Å; E1140-R1144 IonicContact OE1-CZ 3.12Å; E1140-R1144 IonicContact OE1-NE 3.53Å; E1140-R1144 PolarHBondContact OE1-NE 2.87Å; E1140-R1144 IonicContact OE1-NH2 2.66Å; E1140-R1144 PolarHBondContact OE1-NH2 3.29Å
1141L92.5Very high92.9Very high91 Ų91106.5 Ų106.548%0.47653%0.533SS..Hα-helixtrans-62.4-40.1176.7-74.9173.9000111.8R1137 E1138 R1144 L1145R1137-L1141 HydrophobicContact CG-CD1 4.12Å; R1137-L1141 HydrophobicContact CG-CG 4.46Å; R1137-L1141 VanDerWaalsContact O-CB 3.31Å; R1137-L1141 WeakPolarHBondContact O-CB 3.4Å; R1137-L1141 WeakPolarHBondContact O-CG 3.34Å; R1137-L1141 PolarHBondContact O-N 2.91Å; E1138-L1141 PolarHBondContact O-N 3.3Å; L1141-R1144 PolarHBondContact O-N 2.85Å; L1141-L1145 VanDerWaalsContact O-CB 3.25Å; L1141-L1145 WeakPolarHBondContact O-CB 3.38Å; L1141-L1145 PolarHBondContact O-N 3.25Å
1142R92.9Very high93.1Very high161 Ų161110.2 Ų110.261%0.60854%0.539SS*.Hα-helixtrans-66.8-36.7174.3-78.5-176.3175.9168.85.9112.5E1138 V1139 E1140 L1145 K1146E1138-R1142 WeakPolarHBondContact O-CB 3.29Å; E1138-R1142 WeakPolarHBondContact O-CG 3.35Å; E1138-R1142 PolarHBondContact O-N 3.22Å; E1138-R1142 IonicContact OE1-CZ 3.95Å; E1138-R1142 IonicContact OE1-NE 2.82Å; E1138-R1142 PolarHBondContact OE1-NE 2.96Å; E1138-R1142 IonicContact OE1-NH1 2.79Å; E1138-R1142 IonicContact OE1-NH2 3.88Å; E1138-R1142 PolarHBondContact OE1-NH2 3.46Å; V1139-R1142 PolarHBondContact O-N 2.7Å; E1140-R1142 VanDerWaalsContact C-N 3.34Å; E1140-R1142 PolarHBondContact O-N 2.86Å; R1142-L1145 PolarHBondContact O-N 3.06Å; R1142-K1146 PolarHBondContact O-N 3.42Å
1143S94.2Very high93Very high73 Ų73108.2 Ų108.251%0.5153%0.531SS..Hα-helixtrans-64-48.9174.8-169.90000110.7V1139 E1140 L1145 K1146 E1147V1139-S1143 WeakPolarHBondContact O-CB 3.48Å; V1139-S1143 PolarHBondContact O-N 3.5Å; E1140-S1143 WeakPolarHBondContact O-CB 3.43Å; E1140-S1143 PolarHBondContact O-N 3.22Å; S1143-L1145 VanDerWaalsContact C-N 3.32Å; S1143-L1145 PolarHBondContact O-N 3.18Å; S1143-K1146 WeakPolarHBondContact O-CB 3.11Å; S1143-K1146 PolarHBondContact O-N 2.9Å; S1143-E1147 PolarHBondContact O-N 2.98Å
1144R95Very high93.1Very high147 Ų147109.9 Ų109.956%0.55554%0.537SS*.Hα-helixtrans-60.4-40.3174.7-71179.4-178.5-174.31.2111.9E1140 L1141 E1147 V1148E1140-R1144 WeakPolarHBondContact O-CG 3.43Å; E1140-R1144 PolarHBondContact O-N 3.45Å; E1140-R1144 IonicContact OE1-CZ 3.12Å; E1140-R1144 IonicContact OE1-NE 3.53Å; E1140-R1144 PolarHBondContact OE1-NE 2.87Å; E1140-R1144 IonicContact OE1-NH2 2.66Å; E1140-R1144 PolarHBondContact OE1-NH2 3.29Å; L1141-R1144 PolarHBondContact O-N 2.85Å; R1144-E1147 PolarHBondContact O-N 2.84Å; R1144-V1148 WeakPolarHBondContact O-CB 3.38Å; R1144-V1148 VanDerWaalsContact O-CG2 3.29Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.49Å; R1144-V1148 PolarHBondContact O-N 3.47Å
1145L93.6Very high93.2Very high97 Ų97113.3 Ų113.351%0.50855%0.549SS..Hα-helixtrans-64.7-43.6177.5-159.8159.8000111L1141 R1142 S1143 E1147 V1148 E1149L1141-L1145 VanDerWaalsContact O-CB 3.25Å; L1141-L1145 WeakPolarHBondContact O-CB 3.38Å; L1141-L1145 PolarHBondContact O-N 3.25Å; R1142-L1145 PolarHBondContact O-N 3.06Å; S1143-L1145 VanDerWaalsContact C-N 3.32Å; S1143-L1145 PolarHBondContact O-N 3.18Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.94Å; L1145-V1148 PolarHBondContact O-N 2.92Å; L1145-E1149 VanDerWaalsContact CD2-CD 3.43Å; L1145-E1149 HydrophobicContact CD2-CG 3.88Å; L1145-E1149 WeakPolarHBondContact CD2-OE1 3.31Å; L1145-E1149 WeakPolarHBondContact O-CB 3.5Å; L1145-E1149 WeakPolarHBondContact O-CG 3.45Å; L1145-E1149 PolarHBondContact O-N 3.01Å
1146K94Very high93.4Very high155 Ų155113.9 Ų113.967%0.67455%0.549SS*.Hα-helixtrans-60.5-40.8172.7-95.3-174.9176.7178.70113R1142 S1143 E1149 K1150R1142-K1146 PolarHBondContact O-N 3.42Å; S1143-K1146 WeakPolarHBondContact O-CB 3.11Å; S1143-K1146 PolarHBondContact O-N 2.9Å; K1146-E1149 PolarHBondContact O-N 2.86Å; K1146-K1150 WeakPolarHBondContact O-CB 3.34Å; K1146-K1150 PolarHBondContact O-N 3.37Å
1147E94.2Very high93.4Very high135 Ų135113.8 Ų113.863%0.63155%0.549SS*.Hα-helixtrans-67.4-41.9177.5-175.9144.9-143.300111.5S1143 R1144 L1145 K1150 S1151S1143-E1147 PolarHBondContact O-N 2.98Å; R1144-E1147 PolarHBondContact O-N 2.84Å; L1145-E1147 VanDerWaalsContact C-N 3.34Å; L1145-E1147 PolarHBondContact O-N 2.94Å; E1147-K1150 PolarHBondContact O-N 3.45Å; E1147-S1151 WeakPolarHBondContact O-CB 3.49Å; E1147-S1151 PolarHBondContact O-N 3.35Å; E1147-S1151 PolarHBondContact O-OG 2.9Å
1148V92.9Very high93.4Very high94 Ų94108.9 Ų108.957%0.5754%0.541SS*.Hα-helixtrans-62.5-44.8172.81710000111R1144 L1145 K1150 S1151 F1152R1144-V1148 WeakPolarHBondContact O-CB 3.38Å; R1144-V1148 VanDerWaalsContact O-CG2 3.29Å; R1144-V1148 WeakPolarHBondContact O-CG2 3.49Å; R1144-V1148 PolarHBondContact O-N 3.47Å; L1145-V1148 PolarHBondContact O-N 2.92Å; V1148-K1150 VanDerWaalsContact C-N 3.34Å; V1148-K1150 PolarHBondContact O-N 3.28Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.45Å; V1148-S1151 PolarHBondContact O-N 3.48Å; V1148-S1151 PolarHBondContact O-OG 2.89Å; V1148-F1152 WeakPolarHBondContact O-CB 3.47Å; V1148-F1152 PolarHBondContact O-N 3.14Å
1149E94.2Very high93.3Very high117 Ų117112.6 Ų112.655%0.54755%0.552SS.*Hα-helixtrans-61-41175.3-79177.5168.800112.3L1145 K1146 F1152 A1153L1145-E1149 VanDerWaalsContact CD2-CD 3.43Å; L1145-E1149 HydrophobicContact CD2-CG 3.88Å; L1145-E1149 WeakPolarHBondContact CD2-OE1 3.31Å; L1145-E1149 WeakPolarHBondContact O-CB 3.5Å; L1145-E1149 WeakPolarHBondContact O-CG 3.45Å; L1145-E1149 PolarHBondContact O-N 3.01Å; K1146-E1149 PolarHBondContact O-N 2.86Å; E1149-F1152 PolarHBondContact O-N 3.45Å; E1149-A1153 WeakPolarHBondContact O-CB 2.87Å; E1149-A1153 PolarHBondContact O-N 3.37Å
1150K94Very high93.2Very high152 Ų152111.1 Ų111.166%0.66155%0.548SS*.Hα-helixtrans-64.6-44.5174.6-175.9-176.1175.2-172.20111.3K1146 E1147 V1148 F1152 A1153 Q1154K1146-K1150 WeakPolarHBondContact O-CB 3.34Å; K1146-K1150 PolarHBondContact O-N 3.37Å; E1147-K1150 PolarHBondContact O-N 3.45Å; V1148-K1150 VanDerWaalsContact C-N 3.34Å; V1148-K1150 PolarHBondContact O-N 3.28Å; K1150-F1152 VanDerWaalsContact C-N 3.28Å; K1150-F1152 PolarHBondContact O-N 2.87Å; K1150-A1153 PolarHBondContact O-N 3.28Å; K1150-Q1154 WeakPolarHBondContact O-CB 3.11Å; K1150-Q1154 PolarHBondContact O-N 2.97Å
1151S93.9Very high93Very high62 Ų62110.1 Ų110.143%0.43455%0.548SS..Hα-helixtrans-63.1-36.4176.576.30000111.7E1147 V1148 Q1154 L1155E1147-S1151 WeakPolarHBondContact O-CB 3.49Å; E1147-S1151 PolarHBondContact O-N 3.35Å; E1147-S1151 PolarHBondContact O-OG 2.9Å; V1148-S1151 WeakPolarHBondContact CA-OG 3.45Å; V1148-S1151 PolarHBondContact O-N 3.48Å; V1148-S1151 PolarHBondContact O-OG 2.89Å; S1151-Q1154 PolarHBondContact O-N 3.26Å; S1151-L1155 VanDerWaalsContact O-CB 3.32Å; S1151-L1155 WeakPolarHBondContact O-CB 3.26Å; S1151-L1155 PolarHBondContact O-N 3.37Å
1152F94.4Very high92.8Very high137 Ų137108.2 Ų108.260%0.60155%0.546SS*.Hα-helixtrans-69.5-41.1175.8-177.4-96.5000111.9V1148 E1149 K1150 L1155 K1156V1148-F1152 WeakPolarHBondContact O-CB 3.47Å; V1148-F1152 PolarHBondContact O-N 3.14Å; E1149-F1152 PolarHBondContact O-N 3.45Å; K1150-F1152 VanDerWaalsContact C-N 3.28Å; K1150-F1152 PolarHBondContact O-N 2.87Å; F1152-L1155 PolarHBondContact O-N 2.98Å; F1152-K1156 VanDerWaalsContact O-CB 3.28Å; F1152-K1156 WeakPolarHBondContact O-CB 3.38Å; F1152-K1156 PolarHBondContact O-N 2.83Å
1153A91.8Very high92.7Very high47 Ų47104.9 Ų104.939%0.38854%0.54SS..Hα-helixtrans-62-44.5173.400000111.3E1149 K1150 K1156 D1157E1149-A1153 WeakPolarHBondContact O-CB 2.87Å; E1149-A1153 PolarHBondContact O-N 3.37Å; K1150-A1153 PolarHBondContact O-N 3.28Å; A1153-K1156 WeakPolarHBondContact O-CB 3.47Å; A1153-K1156 PolarHBondContact O-N 3.36Å; A1153-D1157 PolarHBondContact O-N 3.4Å
1154Q91.4Very high92.6Very high126 Ų126105.5 Ų105.559%0.58954%0.541SS*.Hα-helixtrans-62.4-45.9175.6-173.6174.20.900111.8K1150 S1151 K1156 D1157 S1158K1150-Q1154 WeakPolarHBondContact O-CB 3.11Å; K1150-Q1154 PolarHBondContact O-N 2.97Å; S1151-Q1154 PolarHBondContact O-N 3.26Å; Q1154-K1156 VanDerWaalsContact C-N 3.27Å; Q1154-K1156 PolarHBondContact O-N 2.91Å; Q1154-D1157 PolarHBondContact O-N 3.09Å; Q1154-S1158 PolarHBondContact O-N 2.95Å; Q1154-S1158 PolarHBondContact O-OG 3.21Å; Q1154-S1158 VanDerWaalsContact O-OG 3.08Å
1155L92.7Very high92.5Very high118 Ų118104.3 Ų104.362%0.61854%0.542SS*.Hα-helixtrans-60.6-37.6175.8-177.164000111.8S1151 F1152 S1158 Y1159S1151-L1155 VanDerWaalsContact O-CB 3.32Å; S1151-L1155 WeakPolarHBondContact O-CB 3.26Å; S1151-L1155 PolarHBondContact O-N 3.37Å; F1152-L1155 PolarHBondContact O-N 2.98Å; L1155-S1158 PolarHBondContact O-N 3.37Å; L1155-Y1159 WeakPolarHBondContact O-CB 3.26Å; L1155-Y1159 PolarHBondContact O-N 3.3Å
1156K94.5Very high92.5Very high135 Ų135103.9 Ų103.959%0.58754%0.539SS*.Hα-helixtrans-66.7-42.5176.4-176.8179.3179.9-1790112.2F1152 A1153 Q1154 S1158 Y1159 A1160F1152-K1156 VanDerWaalsContact O-CB 3.28Å; F1152-K1156 WeakPolarHBondContact O-CB 3.38Å; F1152-K1156 PolarHBondContact O-N 2.83Å; A1153-K1156 WeakPolarHBondContact O-CB 3.47Å; A1153-K1156 PolarHBondContact O-N 3.36Å; Q1154-K1156 VanDerWaalsContact C-N 3.27Å; Q1154-K1156 PolarHBondContact O-N 2.91Å; K1156-S1158 VanDerWaalsContact C-N 3.34Å; K1156-Y1159 PolarHBondContact O-N 3.41Å; K1156-A1160 PolarHBondContact O-N 3.22Å
1157D92.5Very high92.4Very high107 Ų107102.1 Ų102.157%0.57253%0.533SS*.Hα-helixtrans-67.3-37.6175.9-68-18.8000111A1153 Q1154 A1160 T1161A1153-D1157 PolarHBondContact O-N 3.4Å; Q1154-D1157 PolarHBondContact O-N 3.09Å; D1157-A1160 PolarHBondContact O-N 2.88Å; D1157-T1161 WeakPolarHBondContact O-CB 3.32Å; D1157-T1161 PolarHBondContact O-N 3.46Å; D1157-T1161 PolarHBondContact O-OG1 2.81Å
1158S90.9Very high92.2Very high67 Ų6799.2 Ų99.247%0.46953%0.525SS..Hα-helixtrans-62.8-43171.4-62.70000111.9Q1154 L1155 K1156 T1161 A1162Q1154-S1158 PolarHBondContact O-N 2.95Å; Q1154-S1158 PolarHBondContact O-OG 3.21Å; Q1154-S1158 VanDerWaalsContact O-OG 3.08Å; L1155-S1158 PolarHBondContact O-N 3.37Å; K1156-S1158 VanDerWaalsContact C-N 3.34Å; S1158-T1161 PolarHBondContact O-N 3.39Å; S1158-A1162 WeakPolarHBondContact O-CB 3.25Å; S1158-A1162 PolarHBondContact O-N 3.49Å
1159Y90.1Very high92.1Very high169 Ų16997.2 Ų97.266%0.66352%0.518SS*.Hα-helixtrans-63.1-44.8175.8-176.8-90.4000112L1155 K1156 T1161 A1162 D1163L1155-Y1159 WeakPolarHBondContact O-CB 3.26Å; L1155-Y1159 PolarHBondContact O-N 3.3Å; K1156-Y1159 PolarHBondContact O-N 3.41Å; Y1159-T1161 VanDerWaalsContact C-N 3.3Å; Y1159-T1161 PolarHBondContact O-N 2.81Å; Y1159-A1162 PolarHBondContact O-N 3.24Å; Y1159-D1163 WeakPolarHBondContact O-CB 3.28Å; Y1159-D1163 PolarHBondContact O-N 2.81Å
1160A92Very high92Very high50 Ų5096.8 Ų96.841%0.41351%0.512SS..Hα-helixtrans-61.8-39.5175.800000111.9K1156 D1157 D1163 T1164K1156-A1160 PolarHBondContact O-N 3.22Å; D1157-A1160 PolarHBondContact O-N 2.88Å; A1160-D1163 PolarHBondContact O-N 3.49Å; A1160-T1164 WeakPolarHBondContact O-CG2 3.46Å; A1160-T1164 PolarHBondContact O-N 2.78Å; A1160-T1164 PolarHBondContact O-OG1 3.01Å
1161T91.1Very high92Very high72 Ų7292.1 Ų92.144%0.44250%0.499SS..Hα-helixtrans-64.3-46.3175.6-54.20000111.1D1157 S1158 Y1159 D1163 T1164 Q1165D1157-T1161 WeakPolarHBondContact O-CB 3.32Å; D1157-T1161 PolarHBondContact O-N 3.46Å; D1157-T1161 PolarHBondContact O-OG1 2.81Å; S1158-T1161 PolarHBondContact O-N 3.39Å; Y1159-T1161 VanDerWaalsContact C-N 3.3Å; Y1159-T1161 PolarHBondContact O-N 2.81Å; T1161-D1163 VanDerWaalsContact C-N 3.34Å; T1161-D1163 PolarHBondContact O-N 3.37Å; T1161-T1164 PolarHBondContact O-N 3.27Å; T1161-T1164 PolarHBondContact O-OG1 3Å; T1161-Q1165 WeakPolarHBondContact O-CG 3.44Å; T1161-Q1165 PolarHBondContact O-N 3.03Å
1162A88.2Confident91.9Very high52 Ų5295.5 Ų95.543%0.4351%0.508SS..Hα-helixtrans-61.1-40.8176.600000112.2S1158 Y1159 Q1165 L1166S1158-A1162 WeakPolarHBondContact O-CB 3.25Å; S1158-A1162 PolarHBondContact O-N 3.49Å; Y1159-A1162 PolarHBondContact O-N 3.24Å; A1162-Q1165 PolarHBondContact O-N 3.46Å; A1162-L1166 WeakPolarHBondContact O-CB 3.04Å; A1162-L1166 PolarHBondContact O-N 3.45Å
1163D91.9Very high91.8Very high91 Ų9195.2 Ų95.249%0.48750%0.503SS..Hα-helixtrans-63.9-41.4176.6-165.258.7000111.7Y1159 A1160 T1161 L1166 Q1167Y1159-D1163 WeakPolarHBondContact O-CB 3.28Å; Y1159-D1163 PolarHBondContact O-N 2.81Å; A1160-D1163 PolarHBondContact O-N 3.49Å; T1161-D1163 VanDerWaalsContact C-N 3.34Å; T1161-D1163 PolarHBondContact O-N 3.37Å; D1163-L1166 PolarHBondContact O-N 3.04Å; D1163-Q1167 PolarHBondContact O-N 3.42Å
1164T92.2Very high91.8Very high85 Ų8596.2 Ų96.252%0.52150%0.502SS..Hα-helixtrans-64.9-39.8174.256.80000113A1160 T1161 L1166 Q1167 T1168A1160-T1164 WeakPolarHBondContact O-CG2 3.46Å; A1160-T1164 PolarHBondContact O-N 2.78Å; A1160-T1164 PolarHBondContact O-OG1 3.01Å; T1161-T1164 PolarHBondContact O-N 3.27Å; T1161-T1164 PolarHBondContact O-OG1 3Å; T1164-L1166 VanDerWaalsContact C-N 3.33Å; T1164-Q1167 PolarHBondContact O-N 2.95Å; T1164-T1168 WeakPolarHBondContact O-CG2 3.33Å; T1164-T1168 PolarHBondContact O-N 2.82Å; T1164-T1168 PolarHBondContact O-OG1 3.22Å
1165Q92.9Very high91.9Very high122 Ų12294 Ų9457%0.5749%0.494SS*.Hα-helixtrans-66-37176-73.3177.32.800112T1161 A1162 Q1167 T1168 A1169T1161-Q1165 WeakPolarHBondContact O-CG 3.44Å; T1161-Q1165 PolarHBondContact O-N 3.03Å; A1162-Q1165 PolarHBondContact O-N 3.46Å; Q1165-Q1167 VanDerWaalsContact C-N 3.35Å; Q1165-T1168 WeakPolarHBondContact CA-OG1 3.3Å; Q1165-T1168 PolarHBondContact O-N 3.2Å; Q1165-T1168 PolarHBondContact O-OG1 3.41Å; Q1165-A1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-A1169 PolarHBondContact O-N 2.98Å
1166L92.1Very high91.8Very high88 Ų8891.1 Ų91.146%0.46149%0.488SS..Hα-helixtrans-66.2-39.3175.5-173.2129.7000111A1162 D1163 T1164 A1169 Y1170A1162-L1166 WeakPolarHBondContact O-CB 3.04Å; A1162-L1166 PolarHBondContact O-N 3.45Å; D1163-L1166 PolarHBondContact O-N 3.04Å; T1164-L1166 VanDerWaalsContact C-N 3.33Å; L1166-A1169 PolarHBondContact O-N 3.43Å; L1166-Y1170 HydrophobicContact CD2-CD2 3.86Å; L1166-Y1170 HydrophobicContact CD2-CE2 3.3Å; L1166-Y1170 HydrophobicContact CG-CD2 4.26Å; L1166-Y1170 HydrophobicContact CG-CE2 3.84Å; L1166-Y1170 WeakPolarHBondContact O-CD2 3.44Å; L1166-Y1170 PolarHBondContact O-N 3.31Å
1167Q92.7Very high91.7Very high118 Ų11888.7 Ų88.755%0.55148%0.48SS*.Hα-helixtrans-67.7-37.3174.5-169.463.422.600113.1D1163 T1164 Q1165 S1171D1163-Q1167 PolarHBondContact O-N 3.42Å; T1164-Q1167 PolarHBondContact O-N 2.95Å; Q1165-Q1167 VanDerWaalsContact C-N 3.35Å; Q1167-S1171 PolarHBondContact O-N 3.22Å; Q1167-S1171 VanDerWaalsContact O-N 3.13Å; Q1167-S1171 PolarHBondContact O-OG 2.98Å
1168T90Very high91.8Very high75 Ų7589.5 Ų89.546%0.4648%0.479SS..Hα-helixtrans-67.2-43.6173.553.90000111T1164 Q1165 Y1170 S1171 E1172T1164-T1168 WeakPolarHBondContact O-CG2 3.33Å; T1164-T1168 PolarHBondContact O-N 2.82Å; T1164-T1168 PolarHBondContact O-OG1 3.22Å; Q1165-T1168 WeakPolarHBondContact CA-OG1 3.3Å; Q1165-T1168 PolarHBondContact O-N 3.2Å; Q1165-T1168 PolarHBondContact O-OG1 3.41Å; T1168-Y1170 VanDerWaalsContact C-N 3.33Å; T1168-Y1170 PolarHBondContact O-N 3.41Å; T1168-S1171 WeakPolarHBondContact O-CB 3.34Å; T1168-S1171 PolarHBondContact O-N 2.82Å; T1168-S1171 VanDerWaalsContact O-N 3.08Å; T1168-E1172 WeakPolarHBondContact O-CG 3.43Å; T1168-E1172 PolarHBondContact O-N 3.47Å
1169A90.1Very high91.7Very high51 Ų5193.1 Ų93.142%0.42149%0.488SS..Hα-helixtrans-60.7-39.4176.400000112.5Q1165 L1166 R1173Q1165-A1169 WeakPolarHBondContact O-CB 3.48Å; Q1165-A1169 PolarHBondContact O-N 2.98Å; L1166-A1169 PolarHBondContact O-N 3.43Å; A1169-R1173 WeakPolarHBondContact O-CB 3.43Å; A1169-R1173 PolarHBondContact O-N 3.26Å
1170Y92Very high91.7Very high108 Ų10890.6 Ų90.642%0.42449%0.486SS..Hα-helixtrans-63.8-40.3172.8-78.8-51.5000112.8L1166 T1168 R1173 D1174L1166-Y1170 HydrophobicContact CD2-CD2 3.86Å; L1166-Y1170 HydrophobicContact CD2-CE2 3.3Å; L1166-Y1170 HydrophobicContact CG-CD2 4.26Å; L1166-Y1170 HydrophobicContact CG-CE2 3.84Å; L1166-Y1170 WeakPolarHBondContact O-CD2 3.44Å; L1166-Y1170 PolarHBondContact O-N 3.31Å; T1168-Y1170 VanDerWaalsContact C-N 3.33Å; T1168-Y1170 PolarHBondContact O-N 3.41Å; Y1170-R1173 PolarHBondContact O-N 2.99Å; Y1170-D1174 WeakPolarHBondContact O-CB 3.26Å; Y1170-D1174 PolarHBondContact O-N 2.78Å
1171S94.4Very high91.7Very high55 Ų5593.3 Ų93.339%0.38549%0.489SS..Hα-helixtrans-66.3-43.2178.9-54.60000111.4Q1167 T1168 D1174 D1175Q1167-S1171 PolarHBondContact O-N 3.22Å; Q1167-S1171 VanDerWaalsContact O-N 3.13Å; Q1167-S1171 PolarHBondContact O-OG 2.98Å; T1168-S1171 WeakPolarHBondContact O-CB 3.34Å; T1168-S1171 PolarHBondContact O-N 2.82Å; T1168-S1171 VanDerWaalsContact O-N 3.08Å; S1171-D1174 PolarHBondContact O-N 3.4Å; S1171-D1175 PolarHBondContact O-N 3.45Å
1172E92.8Very high91.7Very high132 Ų13291.5 Ų91.562%0.61748%0.482SS*.Hα-helixtrans-63.2-42.3175.7-71.8170-172.500112T1168 D1174 D1175 A1176T1168-E1172 WeakPolarHBondContact O-CG 3.43Å; T1168-E1172 PolarHBondContact O-N 3.47Å; E1172-D1174 VanDerWaalsContact C-N 3.35Å; E1172-D1174 PolarHBondContact O-N 3.33Å; E1172-D1175 PolarHBondContact O-N 2.92Å; E1172-A1176 WeakPolarHBondContact O-CB 3.43Å; E1172-A1176 PolarHBondContact O-N 3.21Å
1173R92Very high91.4Very high131 Ų13192 Ų9249%0.49448%0.482SS..Hα-helixtrans-59.1-46.7173.3-175.5-157.668.4177-2.4111.2A1169 Y1170 D1175 A1176 L1177A1169-R1173 WeakPolarHBondContact O-CB 3.43Å; A1169-R1173 PolarHBondContact O-N 3.26Å; Y1170-R1173 PolarHBondContact O-N 2.99Å; R1173-D1175 VanDerWaalsContact C-N 3.33Å; R1173-D1175 PolarHBondContact O-N 3.04Å; R1173-A1176 PolarHBondContact O-N 2.84Å; R1173-L1177 HydrophobicContact CG-CD1 4.45Å; R1173-L1177 WeakPolarHBondContact O-CG 3.45Å; R1173-L1177 PolarHBondContact O-N 3.32Å
1174D91.8Very high91.4Very high68 Ų6894.2 Ų94.236%0.36448%0.484SS..Hα-helixtrans-67.4-34.2-178-70.3-4.6000111.9Y1170 S1171 E1172 K1178Y1170-D1174 WeakPolarHBondContact O-CB 3.26Å; Y1170-D1174 PolarHBondContact O-N 2.78Å; S1171-D1174 PolarHBondContact O-N 3.4Å; E1172-D1174 VanDerWaalsContact C-N 3.35Å; E1172-D1174 PolarHBondContact O-N 3.33Å; D1174-K1178 WeakPolarHBondContact O-CG 3.27Å; D1174-K1178 PolarHBondContact O-N 3.47Å
1175D92.5Very high91.4Very high79 Ų7996.2 Ų96.242%0.42248%0.482SS..Hα-helixtrans-72.1-39173.2-72.9-22.4000112.1S1171 E1172 R1173 L1177 K1178 H1179S1171-D1175 PolarHBondContact O-N 3.45Å; E1172-D1175 PolarHBondContact O-N 2.92Å; R1173-D1175 VanDerWaalsContact C-N 3.33Å; R1173-D1175 PolarHBondContact O-N 3.04Å; D1175-L1177 VanDerWaalsContact C-N 3.31Å; D1175-L1177 PolarHBondContact O-N 3.49Å; D1175-K1178 PolarHBondContact O-N 3.29Å; D1175-K1178 IonicContact OD1-NZ 3.39Å; D1175-K1178 PolarHBondContact OD1-NZ 2.96Å; D1175-H1179 PolarHBondContact O-CD2 3.1Å; D1175-H1179 PolarHBondContact O-N 3.49Å
1176A91.4Very high91.4Very high59 Ų5996.3 Ų96.349%0.48848%0.482SS..Hα-helixtrans-60.6-39.717200000111.9E1172 R1173 H1179 L1180E1172-A1176 WeakPolarHBondContact O-CB 3.43Å; E1172-A1176 PolarHBondContact O-N 3.21Å; R1173-A1176 PolarHBondContact O-N 2.84Å; A1176-H1179 PolarHBondContact O-N 2.79Å; A1176-L1180 WeakPolarHBondContact O-CB 3.35Å; A1176-L1180 PolarHBondContact O-N 2.8Å
1177L92.4Very high91.3Very high83 Ų8396.3 Ų96.344%0.43549%0.486SS..Hα-helixtrans-63.3-39.6174.6-74.5173.2000112.3R1173 D1175 L1180 E1181R1173-L1177 HydrophobicContact CG-CD1 4.45Å; R1173-L1177 WeakPolarHBondContact O-CG 3.45Å; R1173-L1177 PolarHBondContact O-N 3.32Å; D1175-L1177 VanDerWaalsContact C-N 3.31Å; D1175-L1177 PolarHBondContact O-N 3.49Å; L1177-L1180 HydrophobicContact CD2-CD2 4.49Å; L1177-L1180 PolarHBondContact O-N 2.79Å; L1177-E1181 WeakPolarHBondContact O-CG 3.5Å; L1177-E1181 PolarHBondContact O-N 3.28Å
1178K94.6Very high91.2Very high124 Ų12494.7 Ų94.754%0.53948%0.48SS..Hα-helixtrans-63.8-41.3174.3-68.6170.1-159.4152.90112D1174 D1175 E1181 A1182D1174-K1178 WeakPolarHBondContact O-CG 3.27Å; D1174-K1178 PolarHBondContact O-N 3.47Å; D1175-K1178 PolarHBondContact O-N 3.29Å; D1175-K1178 IonicContact OD1-NZ 3.39Å; D1175-K1178 PolarHBondContact OD1-NZ 2.96Å; K1178-E1181 PolarHBondContact O-N 3.36Å; K1178-A1182 WeakPolarHBondContact O-CB 3.31Å; K1178-A1182 PolarHBondContact O-N 2.82Å
1179H89.7Confident91.3Very high144 Ų14495.5 Ų95.567%0.66748%0.482SS*.Hα-helixtrans-64.4-40.6175.3-77.5-66000111.9D1175 A1176 A1182 S1183D1175-H1179 PolarHBondContact O-CD2 3.1Å; D1175-H1179 PolarHBondContact O-N 3.49Å; A1176-H1179 PolarHBondContact O-N 2.79Å; H1179-A1182 PolarHBondContact O-N 2.87Å; H1179-S1183 PolarHBondContact O-N 3.21Å
1180L89.6Confident91.2Very high116 Ų11698.7 Ų98.761%0.60749%0.491SS*.Hα-helixtrans-61.5-43.4174.1-178.863.9000111.5A1176 L1177 S1183 R1184A1176-L1180 WeakPolarHBondContact O-CB 3.35Å; A1176-L1180 PolarHBondContact O-N 2.8Å; L1177-L1180 HydrophobicContact CD2-CD2 4.49Å; L1177-L1180 PolarHBondContact O-N 2.79Å; L1180-S1183 PolarHBondContact O-N 3.46Å; L1180-R1184 VanDerWaalsContact O-CB 3.31Å; L1180-R1184 WeakPolarHBondContact O-CB 3.5Å; L1180-R1184 PolarHBondContact O-N 3.38Å
1181E91Very high91.3Very high106 Ų106100.7 Ų100.750%0.49550%0.502SS..Hα-helixtrans-65.8-35.8175.6-76.2-177.2-17500113.3L1177 K1178 R1185L1177-E1181 WeakPolarHBondContact O-CG 3.5Å; L1177-E1181 PolarHBondContact O-N 3.28Å; K1178-E1181 PolarHBondContact O-N 3.36Å; E1181-R1185 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å
1182A91.1Very high91.1Very high34 Ų34104.2 Ų104.228%0.28151%0.513SS..Hα-helixtrans-63.9-51.2174.200000111.2K1178 H1179 R1184 R1185 E1186K1178-A1182 WeakPolarHBondContact O-CB 3.31Å; K1178-A1182 PolarHBondContact O-N 2.82Å; H1179-A1182 PolarHBondContact O-N 2.87Å; A1182-R1184 VanDerWaalsContact C-N 3.33Å; A1182-R1184 PolarHBondContact O-N 2.98Å; A1182-R1185 WeakPolarHBondContact O-CB 3.34Å; A1182-R1185 PolarHBondContact O-N 2.91Å; A1182-R1185 VanDerWaalsContact O-N 3.07Å; A1182-E1186 PolarHBondContact O-N 2.84Å; A1182-E1186 VanDerWaalsContact O-N 3.13Å
1183S83.2Confident90.9Very high62 Ų62101 Ų10143%0.43450%0.504SS..Hα-helixtrans-61.3-40.3177-178.50000112H1179 L1180 R1185 E1186 V1187H1179-S1183 PolarHBondContact O-N 3.21Å; L1180-S1183 PolarHBondContact O-N 3.46Å; S1183-R1185 PolarHBondContact O-N 3.24Å; S1183-E1186 PolarHBondContact O-N 3.37Å; S1183-V1187 WeakPolarHBondContact O-CG2 3.36Å; S1183-V1187 PolarHBondContact O-N 2.75Å
1184R91.8Very high90.6Very high139 Ų139100 Ų10053%0.52551%0.508SS..Hα-helixtrans-58.5-36.5174.6-172.1-17365.472.7-1.6112.3L1180 A1182 L1188L1180-R1184 VanDerWaalsContact O-CB 3.31Å; L1180-R1184 WeakPolarHBondContact O-CB 3.5Å; L1180-R1184 PolarHBondContact O-N 3.38Å; A1182-R1184 VanDerWaalsContact C-N 3.33Å; A1182-R1184 PolarHBondContact O-N 2.98Å; R1184-L1188 VanDerWaalsContact NH1-CD1 3.28Å; R1184-L1188 WeakPolarHBondContact O-CG 3.34Å; R1184-L1188 PolarHBondContact O-N 2.8Å
1185R92.2Very high90.6Very high127 Ų127103.8 Ų103.848%0.47952%0.521SS..Hα-helixtrans-69.2-45.3177.3-169.2-179.5-60.994.23.3111.2E1181 A1182 S1183 V1187 L1188 D1189E1181-R1185 PolarHBondContact O-N 3.4Å; E1181-R1185 VanDerWaalsContact O-N 3.17Å; A1182-R1185 WeakPolarHBondContact O-CB 3.34Å; A1182-R1185 PolarHBondContact O-N 2.91Å; A1182-R1185 VanDerWaalsContact O-N 3.07Å; S1183-R1185 PolarHBondContact O-N 3.24Å; R1185-V1187 VanDerWaalsContact C-N 3.3Å; R1185-V1187 PolarHBondContact O-N 3.4Å; R1185-L1188 WeakPolarHBondContact O-CB 3.48Å; R1185-L1188 PolarHBondContact O-N 3.5Å; R1185-D1189 PolarHBondContact O-N 3.31Å
1186E91.6Very high90.4Very high124 Ų124103.9 Ų103.958%0.57953%0.525SS*.Hα-helixtrans-59.1-40.5175.9-67.1171.1-171.700112.1A1182 S1183 L1188 D1189 L1190A1182-E1186 PolarHBondContact O-N 2.84Å; A1182-E1186 VanDerWaalsContact O-N 3.13Å; S1183-E1186 PolarHBondContact O-N 3.37Å; E1186-L1188 VanDerWaalsContact C-N 3.33Å; E1186-L1188 PolarHBondContact O-N 2.88Å; E1186-D1189 PolarHBondContact O-N 2.95Å; E1186-L1190 WeakPolarHBondContact O-CB 3.08Å; E1186-L1190 WeakPolarHBondContact O-CG 3.14Å; E1186-L1190 PolarHBondContact O-N 2.99Å
1187V89.5Confident90.2Very high88 Ų88105.5 Ų105.553%0.53353%0.525SS..Hα-helixtrans-63.8-37.3175172.30000111.9S1183 R1185 K1191S1183-V1187 WeakPolarHBondContact O-CG2 3.36Å; S1183-V1187 PolarHBondContact O-N 2.75Å; R1185-V1187 VanDerWaalsContact C-N 3.3Å; R1185-V1187 PolarHBondContact O-N 3.4Å; V1187-K1191 WeakPolarHBondContact O-CB 3.37Å; V1187-K1191 PolarHBondContact O-N 3.23Å
1188L91.8Very high90.1Very high83 Ų83107 Ų10744%0.43553%0.53SS..Hα-helixtrans-67.3-41.1175.1-73.2175000111.9R1184 R1185 E1186 K1191 E1192R1184-L1188 VanDerWaalsContact NH1-CD1 3.28Å; R1184-L1188 WeakPolarHBondContact O-CG 3.34Å; R1184-L1188 PolarHBondContact O-N 2.8Å; R1185-L1188 WeakPolarHBondContact O-CB 3.48Å; R1185-L1188 PolarHBondContact O-N 3.5Å; E1186-L1188 VanDerWaalsContact C-N 3.33Å; E1186-L1188 PolarHBondContact O-N 2.88Å; L1188-K1191 WeakPolarHBondContact O-CB 3.22Å; L1188-K1191 PolarHBondContact O-N 3.1Å; L1188-E1192 PolarHBondContact O-N 2.88Å
1189D91.6Very high89.9Confident92 Ų92104.4 Ų104.449%0.49252%0.524SS..Hα-helixtrans-65.5-40.5177-62-20.2000111.1R1185 E1186 K1191 E1192 S1193R1185-D1189 PolarHBondContact O-N 3.31Å; E1186-D1189 PolarHBondContact O-N 2.95Å; D1189-K1191 VanDerWaalsContact C-N 3.35Å; D1189-K1191 PolarHBondContact O-N 3.4Å; D1189-E1192 PolarHBondContact O-N 2.94Å; D1189-S1193 PolarHBondContact O-N 3.41Å; D1189-S1193 PolarHBondContact O-OG 3.43Å
1190L89Confident90Very high118 Ų118101.6 Ų101.662%0.61852%0.517SS*.Hα-helixtrans-63.4-38.9172.2-74.2173.2000112.1E1186 S1193 L1194E1186-L1190 WeakPolarHBondContact O-CB 3.08Å; E1186-L1190 WeakPolarHBondContact O-CG 3.14Å; E1186-L1190 PolarHBondContact O-N 2.99Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.39Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-S1193 PolarHBondContact O-OG 2.86Å; L1190-L1194 WeakPolarHBondContact O-CB 3.15Å; L1190-L1194 PolarHBondContact O-N 3.42Å
1191K93Very high90.1Very high150 Ų150100.8 Ų100.865%0.65251%0.513SS*.Hα-helixtrans-64.6-39.9175-177179.6179.7178.30111.9V1187 L1188 D1189 K1195V1187-K1191 WeakPolarHBondContact O-CB 3.37Å; V1187-K1191 PolarHBondContact O-N 3.23Å; L1188-K1191 WeakPolarHBondContact O-CB 3.22Å; L1188-K1191 PolarHBondContact O-N 3.1Å; D1189-K1191 VanDerWaalsContact C-N 3.35Å; D1189-K1191 PolarHBondContact O-N 3.4Å; K1191-K1195 WeakPolarHBondContact O-CB 3.22Å; K1191-K1195 PolarHBondContact O-N 3.22Å
1192E90.5Very high90Very high130 Ų13099.3 Ų99.361%0.60751%0.509SS*.Hα-helixtrans-69.7-41.2177.4-174166.4-163.900112.2L1188 D1189 K1195 T1196L1188-E1192 PolarHBondContact O-N 2.88Å; D1189-E1192 PolarHBondContact O-N 2.94Å; E1192-K1195 PolarHBondContact O-N 2.89Å; E1192-T1196 WeakPolarHBondContact O-CB 3.44Å; E1192-T1196 PolarHBondContact O-N 2.98Å; E1192-T1196 PolarHBondContact O-OG1 2.87Å
1193S89.3Confident90Very high63 Ų63101.3 Ų101.344%0.44152%0.515SS..Hα-helixtrans-65.7-37.3173.662.70000112.5D1189 L1190 T1196 L1197D1189-S1193 PolarHBondContact O-N 3.41Å; D1189-S1193 PolarHBondContact O-OG 3.43Å; L1190-S1193 WeakPolarHBondContact CA-OG 3.39Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-S1193 PolarHBondContact O-OG 2.86Å; S1193-T1196 WeakPolarHBondContact O-CB 3.4Å; S1193-T1196 PolarHBondContact O-N 3.34Å; S1193-L1197 PolarHBondContact O-N 3.03Å
1194L84.1Confident90.4Very high111 Ų111104.5 Ų104.558%0.58152%0.521SS*.Hα-helixtrans-62.1-44.4172.1-178.866.5000111.6L1190 T1196 L1197 Q1198L1190-L1194 WeakPolarHBondContact O-CB 3.15Å; L1190-L1194 PolarHBondContact O-N 3.42Å; L1194-T1196 VanDerWaalsContact C-N 3.29Å; L1194-T1196 PolarHBondContact O-N 2.95Å; L1194-L1197 PolarHBondContact O-N 3.35Å; L1194-Q1198 WeakPolarHBondContact O-CB 3.32Å; L1194-Q1198 PolarHBondContact O-N 2.79Å
1195K92Very high90.3Very high147 Ų147102.9 Ų102.964%0.63952%0.519SS*.Hα-helixtrans-61.9-38.4174.6-176.7-178.3172.9-178.40111.8K1191 E1192 Q1198 T1199K1191-K1195 WeakPolarHBondContact O-CB 3.22Å; K1191-K1195 PolarHBondContact O-N 3.22Å; E1192-K1195 PolarHBondContact O-N 2.89Å; K1195-Q1198 PolarHBondContact O-N 3.48Å; K1195-T1199 PolarHBondContact O-N 2.97Å; K1195-T1199 PolarHBondContact O-OG1 3.26Å
1196T88.2Confident90.2Very high81 Ų81103.4 Ų103.450%0.49752%0.521SS..Hα-helixtrans-63.7-46.5175.2-570000110.7E1192 S1193 L1194 Q1198 T1199 V1200E1192-T1196 WeakPolarHBondContact O-CB 3.44Å; E1192-T1196 PolarHBondContact O-N 2.98Å; E1192-T1196 PolarHBondContact O-OG1 2.87Å; S1193-T1196 WeakPolarHBondContact O-CB 3.4Å; S1193-T1196 PolarHBondContact O-N 3.34Å; L1194-T1196 VanDerWaalsContact C-N 3.29Å; L1194-T1196 PolarHBondContact O-N 2.95Å; T1196-Q1198 PolarHBondContact O-N 3.48Å; T1196-T1199 WeakPolarHBondContact O-CB 3.36Å; T1196-T1199 PolarHBondContact O-N 3.49Å; T1196-V1200 WeakPolarHBondContact O-CG2 3.45Å; T1196-V1200 PolarHBondContact O-N 3.41Å
1197L89Confident90.2Very high94 Ų94102.6 Ų102.649%0.49252%0.521SS..Hα-helixtrans-61.6-42.5176179.862.4000112.1S1193 L1194 T1199 V1200 L1201S1193-L1197 PolarHBondContact O-N 3.03Å; L1194-L1197 PolarHBondContact O-N 3.35Å; L1197-T1199 VanDerWaalsContact C-N 3.28Å; L1197-T1199 PolarHBondContact O-N 3.42Å; L1197-V1200 PolarHBondContact O-N 2.9Å; L1197-V1200 VanDerWaalsContact O-N 3.12Å; L1197-L1201 HydrophobicContact CG-CD1 4.26Å; L1197-L1201 WeakPolarHBondContact O-CG 3.36Å; L1197-L1201 PolarHBondContact O-N 3.34Å
1198Q89.1Confident90.3Very high115 Ų115103.8 Ų103.854%0.53752%0.52SS..Hα-helixtrans-58.1-43174.8-175.1174.3-6.900111.1L1194 K1195 T1196 V1200 L1201 D1202L1194-Q1198 WeakPolarHBondContact O-CB 3.32Å; L1194-Q1198 PolarHBondContact O-N 2.79Å; K1195-Q1198 PolarHBondContact O-N 3.48Å; T1196-Q1198 PolarHBondContact O-N 3.48Å; Q1198-V1200 VanDerWaalsContact C-N 3.34Å; Q1198-V1200 PolarHBondContact O-N 3.34Å; Q1198-L1201 PolarHBondContact O-N 3.44Å; Q1198-D1202 VanDerWaalsContact O-CG 3.29Å; Q1198-D1202 PolarHBondContact O-N 2.8Å
1199T91.1Very high90.2Very high68 Ų68104.8 Ų104.842%0.41752%0.523SS..Hα-helixtrans-64-38.2175.9-530000112.1K1195 T1196 L1197 N1203K1195-T1199 PolarHBondContact O-N 2.97Å; K1195-T1199 PolarHBondContact O-OG1 3.26Å; T1196-T1199 WeakPolarHBondContact O-CB 3.36Å; T1196-T1199 PolarHBondContact O-N 3.49Å; L1197-T1199 VanDerWaalsContact C-N 3.28Å; L1197-T1199 PolarHBondContact O-N 3.42Å; T1199-N1203 WeakPolarHBondContact O-CB 3.42Å; T1199-N1203 PolarHBondContact O-N 3.04Å; T1199-N1203 PolarHBondContact O-ND2 2.79Å
1200V91.7Very high90.1Very high86 Ų86103 Ų10352%0.52152%0.521SS..Hα-helixtrans-65.9-41.9175.6172.80000111T1196 L1197 Q1198 N1203 F1204T1196-V1200 WeakPolarHBondContact O-CG2 3.45Å; T1196-V1200 PolarHBondContact O-N 3.41Å; L1197-V1200 PolarHBondContact O-N 2.9Å; L1197-V1200 VanDerWaalsContact O-N 3.12Å; Q1198-V1200 VanDerWaalsContact C-N 3.34Å; Q1198-V1200 PolarHBondContact O-N 3.34Å; V1200-N1203 PolarHBondContact O-N 2.76Å; V1200-F1204 WeakPolarHBondContact O-CB 3.4Å; V1200-F1204 PolarHBondContact O-N 3.29Å
1201L90.6Very high90.1Very high99 Ų99101.2 Ų101.252%0.51852%0.515SS..Hα-helixtrans-64.2-44.4176-71.9169.7000111.7L1197 Q1198 N1203 F1204 Q1205L1197-L1201 HydrophobicContact CG-CD1 4.26Å; L1197-L1201 WeakPolarHBondContact O-CG 3.36Å; L1197-L1201 PolarHBondContact O-N 3.34Å; Q1198-L1201 PolarHBondContact O-N 3.44Å; L1201-N1203 VanDerWaalsContact C-N 3.31Å; L1201-N1203 PolarHBondContact O-N 2.96Å; L1201-F1204 PolarHBondContact O-N 2.98Å; L1201-Q1205 WeakPolarHBondContact O-CB 3.47Å; L1201-Q1205 PolarHBondContact O-N 3.26Å
1202D89.9Confident89.6Confident75 Ų7599.3 Ų99.340%0.40151%0.511SS..Hα-helixtrans-62.2-38.4176.4-69.6-19.4000111.9Q1198 R1206Q1198-D1202 VanDerWaalsContact O-CG 3.29Å; Q1198-D1202 PolarHBondContact O-N 2.8Å; D1202-R1206 WeakPolarHBondContact O-CB 3.48Å; D1202-R1206 WeakPolarHBondContact O-CG 3.32Å; D1202-R1206 PolarHBondContact O-N 2.91Å; D1202-R1206 PolarHBondContact O-NE 3.06Å
1203N90.8Very high89.6Confident76 Ų7698.8 Ų98.841%0.40651%0.512SS..Hα-helixtrans-69.6-41.4174.7-78.1-46.5000112T1199 V1200 L1201 R1206 N1207T1199-N1203 WeakPolarHBondContact O-CB 3.42Å; T1199-N1203 PolarHBondContact O-N 3.04Å; T1199-N1203 PolarHBondContact O-ND2 2.79Å; V1200-N1203 PolarHBondContact O-N 2.76Å; L1201-N1203 VanDerWaalsContact C-N 3.31Å; L1201-N1203 PolarHBondContact O-N 2.96Å; N1203-R1206 VanDerWaalsContact OD1-CZ 3.29Å; N1203-R1206 PolarHBondContact OD1-NH1 2.91Å; N1203-R1206 VanDerWaalsContact OD1-NH1 3.11Å; N1203-R1206 PolarHBondContact OD1-NH2 3.44Å; N1203-N1207 VanDerWaalsContact O-CB 3.29Å; N1203-N1207 WeakPolarHBondContact O-CB 3.46Å; N1203-N1207 PolarHBondContact O-N 3.32Å
1204F91.2Very high89.6Confident128 Ų12898.7 Ų98.756%0.56152%0.515SS*.Hα-helixtrans-62.3-45.9177.2180-96.6000111V1200 L1201 N1207 Q1208V1200-F1204 WeakPolarHBondContact O-CB 3.4Å; V1200-F1204 PolarHBondContact O-N 3.29Å; L1201-F1204 PolarHBondContact O-N 2.98Å; F1204-N1207 PolarHBondContact O-N 3.14Å; F1204-Q1208 WeakPolarHBondContact O-CB 3.35Å; F1204-Q1208 PolarHBondContact O-N 3.4Å
1205Q89.3Confident89.8Confident106 Ų10699.1 Ų99.150%0.49551%0.514SS..Hα-helixtrans-63.7-47.8178-176.4170.8-23.900111.6L1201 N1207 Q1208 E1209L1201-Q1205 WeakPolarHBondContact O-CB 3.47Å; L1201-Q1205 PolarHBondContact O-N 3.26Å; Q1205-N1207 VanDerWaalsContact C-N 3.27Å; Q1205-N1207 PolarHBondContact O-N 2.93Å; Q1205-Q1208 WeakPolarHBondContact O-CB 3.47Å; Q1205-Q1208 PolarHBondContact O-N 3.47Å; Q1205-Q1208 VanDerWaalsContact O-N 3.15Å; Q1205-E1209 HydrophobicContact CG-CG 4.45Å; Q1205-E1209 WeakPolarHBondContact CG-OE1 3.33Å; Q1205-E1209 PolarHBondContact NE2-OE1 3.4Å; Q1205-E1209 WeakPolarHBondContact O-CB 3.44Å; Q1205-E1209 WeakPolarHBondContact O-CG 3.34Å; Q1205-E1209 PolarHBondContact O-N 2.81Å
1206R91.5Very high89.5Confident138 Ų13895.7 Ų95.752%0.52151%0.505SS..Hα-helixtrans-58.9-38.2174.9-82.3-174.1-80.5113.3-0.5112.8D1202 N1203 A1210D1202-R1206 WeakPolarHBondContact O-CB 3.48Å; D1202-R1206 WeakPolarHBondContact O-CG 3.32Å; D1202-R1206 PolarHBondContact O-N 2.91Å; D1202-R1206 PolarHBondContact O-NE 3.06Å; N1203-R1206 VanDerWaalsContact OD1-CZ 3.29Å; N1203-R1206 PolarHBondContact OD1-NH1 2.91Å; N1203-R1206 VanDerWaalsContact OD1-NH1 3.11Å; N1203-R1206 PolarHBondContact OD1-NH2 3.44Å; R1206-A1210 WeakPolarHBondContact O-CB 3.07Å; R1206-A1210 PolarHBondContact O-N 3.41Å
1207N90.7Very high89.5Confident107 Ų10796.2 Ų96.257%0.57250%0.502SS*.Hα-helixtrans-70.2-38.5177.5-167.528.8000111.9N1203 F1204 Q1205 A1210 T1211N1203-N1207 VanDerWaalsContact O-CB 3.29Å; N1203-N1207 WeakPolarHBondContact O-CB 3.46Å; N1203-N1207 PolarHBondContact O-N 3.32Å; F1204-N1207 PolarHBondContact O-N 3.14Å; Q1205-N1207 VanDerWaalsContact C-N 3.27Å; Q1205-N1207 PolarHBondContact O-N 2.93Å; N1207-A1210 PolarHBondContact O-N 3.18Å; N1207-T1211 WeakPolarHBondContact O-CB 3.49Å; N1207-T1211 PolarHBondContact O-N 3.38Å; N1207-T1211 PolarHBondContact O-OG1 3.5Å
1208Q91.7Very high89.6Confident112 Ų11297.3 Ų97.352%0.52351%0.505SS..Hα-helixtrans-64.2-45.8174.1-174177.231.400111.3F1204 Q1205 A1210 T1211 L1212F1204-Q1208 WeakPolarHBondContact O-CB 3.35Å; F1204-Q1208 PolarHBondContact O-N 3.4Å; Q1205-Q1208 WeakPolarHBondContact O-CB 3.47Å; Q1205-Q1208 PolarHBondContact O-N 3.47Å; Q1205-Q1208 VanDerWaalsContact O-N 3.15Å; Q1208-A1210 PolarHBondContact O-N 3.15Å; Q1208-T1211 PolarHBondContact O-N 3.45Å; Q1208-L1212 WeakPolarHBondContact O-CB 3.43Å; Q1208-L1212 PolarHBondContact O-N 3.41Å
1209E89.4Confident89.6Confident105 Ų10596.8 Ų96.849%0.49151%0.505SS..Hα-helixtrans-60-44175.5-73.1171.9-170.200111.3Q1205 T1211 L1212 L1213Q1205-E1209 HydrophobicContact CG-CG 4.45Å; Q1205-E1209 WeakPolarHBondContact CG-OE1 3.33Å; Q1205-E1209 PolarHBondContact NE2-OE1 3.4Å; Q1205-E1209 WeakPolarHBondContact O-CB 3.44Å; Q1205-E1209 WeakPolarHBondContact O-CG 3.34Å; Q1205-E1209 PolarHBondContact O-N 2.81Å; E1209-T1211 PolarHBondContact O-N 3.45Å; E1209-L1212 PolarHBondContact O-N 3.03Å; E1209-L1213 VanDerWaalsContact O-CB 3.29Å; E1209-L1213 WeakPolarHBondContact O-CB 3.32Å; E1209-L1213 PolarHBondContact O-N 2.9Å
1210A89.1Confident89.5Confident54 Ų54101 Ų10145%0.44651%0.513SS..Hα-helixtrans-63.4-39.9175.900000112.6R1206 N1207 Q1208 A1214R1206-A1210 WeakPolarHBondContact O-CB 3.07Å; R1206-A1210 PolarHBondContact O-N 3.41Å; N1207-A1210 PolarHBondContact O-N 3.18Å; Q1208-A1210 PolarHBondContact O-N 3.15Å; A1210-A1214 WeakPolarHBondContact O-CB 3.12Å; A1210-A1214 PolarHBondContact O-N 2.94Å
1211T90.4Very high89.4Confident80 Ų80100.6 Ų100.649%0.49151%0.511SS..Hα-helixtrans-67-45.3177.8-55.70000111N1207 Q1208 E1209 A1214 E1215N1207-T1211 WeakPolarHBondContact O-CB 3.49Å; N1207-T1211 PolarHBondContact O-N 3.38Å; N1207-T1211 PolarHBondContact O-OG1 3.5Å; Q1208-T1211 PolarHBondContact O-N 3.45Å; E1209-T1211 PolarHBondContact O-N 3.45Å; T1211-A1214 PolarHBondContact O-N 3.39Å; T1211-E1215 PolarHBondContact O-N 3.32Å
1212L81.9Confident89.3Confident110 Ų11099.4 Ų99.458%0.57650%0.503SS*.Hα-helixtrans-64.8-40.6178.5-169.1152.3000111.3Q1208 E1209 E1215 T1216Q1208-L1212 WeakPolarHBondContact O-CB 3.43Å; Q1208-L1212 PolarHBondContact O-N 3.41Å; E1209-L1212 PolarHBondContact O-N 3.03Å; L1212-E1215 PolarHBondContact O-N 3.17Å; L1212-T1216 WeakPolarHBondContact O-CB 3.47Å; L1212-T1216 PolarHBondContact O-N 3.28Å; L1212-T1216 PolarHBondContact O-OG1 3.5Å
1213L91.3Very high89.3Confident120 Ų120101 Ų10163%0.62851%0.511SS*.Hα-helixtrans-61.4-46.2174.3-170.698.5000111.4E1209 T1216 E1217E1209-L1213 VanDerWaalsContact O-CB 3.29Å; E1209-L1213 WeakPolarHBondContact O-CB 3.32Å; E1209-L1213 PolarHBondContact O-N 2.9Å; L1213-T1216 PolarHBondContact O-N 3.22Å; L1213-E1217 PolarHBondContact O-N 3.4Å
1214A88.8Confident89.3Confident61 Ų61101.6 Ų101.650%0.50451%0.514SS..Hα-helixtrans-63.9-40.8178.700000112.4A1210 T1211 H1218A1210-A1214 WeakPolarHBondContact O-CB 3.12Å; A1210-A1214 PolarHBondContact O-N 2.94Å; T1211-A1214 PolarHBondContact O-N 3.39Å; A1214-H1218 WeakPolarHBondContact O-CB 3.17Å; A1214-H1218 PolarHBondContact O-N 3.35Å
1215E87.9Confident89.2Confident120 Ų120100.1 Ų100.156%0.56151%0.505SS*.Hα-helixtrans-65.7-41.1174.9-174.1173.9-175.300111.8T1211 L1212 H1218 L1219T1211-E1215 PolarHBondContact O-N 3.32Å; L1212-E1215 PolarHBondContact O-N 3.17Å; E1215-H1218 WeakPolarHBondContact O-CB 3.49Å; E1215-H1218 PolarHBondContact O-N 2.98Å; E1215-L1219 HydrophobicContact CG-CD1 4.36Å; E1215-L1219 WeakPolarHBondContact O-CG 3.4Å; E1215-L1219 PolarHBondContact O-N 2.87Å
1216T85.1Confident89.1Confident74 Ų7498.2 Ų98.245%0.45450%0.501SS..Hα-helixtrans-64.2-43.5177.3-55.70000111.4L1212 L1213 L1219 R1220L1212-T1216 WeakPolarHBondContact O-CB 3.47Å; L1212-T1216 PolarHBondContact O-N 3.28Å; L1212-T1216 PolarHBondContact O-OG1 3.5Å; L1213-T1216 PolarHBondContact O-N 3.22Å; T1216-L1219 PolarHBondContact O-N 3.44Å; T1216-R1220 VanDerWaalsContact O-CB 3.31Å; T1216-R1220 WeakPolarHBondContact O-CB 3.47Å; T1216-R1220 PolarHBondContact O-N 2.94Å
1217E88.6Confident89.1Confident92 Ų9295.3 Ų95.343%0.4350%0.495SS..Hα-helixtrans-65.8-37.9174.2-81.2-64.613400112.1L1213 R1220 T1221L1213-E1217 PolarHBondContact O-N 3.4Å; E1217-R1220 PolarHBondContact O-N 3.35Å; E1217-R1220 IonicContact OE1-NH1 3.05Å; E1217-T1221 WeakPolarHBondContact O-CB 3.46Å; E1217-T1221 VanDerWaalsContact O-CG2 3.32Å; E1217-T1221 WeakPolarHBondContact O-CG2 3.31Å; E1217-T1221 PolarHBondContact O-N 3.09Å; E1217-T1221 PolarHBondContact O-OG1 2.93Å
1218H90.8Very high89.1Confident118 Ų11896.3 Ų96.355%0.54650%0.496SS..Hα-helixtrans-61.7-47.1173.2176.2-91.7000111.9A1214 E1215 R1220 T1221 E1222A1214-H1218 WeakPolarHBondContact O-CB 3.17Å; A1214-H1218 PolarHBondContact O-N 3.35Å; E1215-H1218 WeakPolarHBondContact O-CB 3.49Å; E1215-H1218 PolarHBondContact O-N 2.98Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.48Å; H1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; H1218-T1221 PolarHBondContact O-N 3.43Å; H1218-T1221 PolarHBondContact O-OG1 3.27Å; H1218-E1222 WeakPolarHBondContact O-CB 3.5Å; H1218-E1222 PolarHBondContact O-N 3.24Å
1219L89.4Confident89Confident104 Ų10496.4 Ų96.455%0.54550%0.495SS..Hα-helixtrans-62.9-40.6176.2-72.3170.5000111.9E1215 T1216 E1222 L1223E1215-L1219 HydrophobicContact CG-CD1 4.36Å; E1215-L1219 WeakPolarHBondContact O-CG 3.4Å; E1215-L1219 PolarHBondContact O-N 2.87Å; T1216-L1219 PolarHBondContact O-N 3.44Å; L1219-E1222 PolarHBondContact O-N 3.45Å; L1219-L1223 VanDerWaalsContact O-CB 3.28Å; L1219-L1223 WeakPolarHBondContact O-CB 3.46Å; L1219-L1223 PolarHBondContact O-N 2.98Å
1220R90.2Very high89Confident155 Ų15595.9 Ų95.959%0.58549%0.492SS*.Hα-helixtrans-64.2-43.3177.9-170.7178.9-171.9168.64.4112.1T1216 E1217 H1218 N1224T1216-R1220 VanDerWaalsContact O-CB 3.31Å; T1216-R1220 WeakPolarHBondContact O-CB 3.47Å; T1216-R1220 PolarHBondContact O-N 2.94Å; E1217-R1220 PolarHBondContact O-N 3.35Å; E1217-R1220 IonicContact OE1-NH1 3.05Å; H1218-R1220 VanDerWaalsContact C-N 3.33Å; H1218-R1220 PolarHBondContact O-N 3.48Å; R1220-N1224 WeakPolarHBondContact O-CB 3.47Å; R1220-N1224 PolarHBondContact O-N 3.28Å; R1220-N1224 PolarHBondContact O-ND2 3.44Å
1221T89Confident89Confident79 Ų7997.2 Ų97.249%0.48549%0.491SS..Hα-helixtrans-67.7-39.5177.350.50000111.7E1217 H1218 N1224 R1225E1217-T1221 WeakPolarHBondContact O-CB 3.46Å; E1217-T1221 VanDerWaalsContact O-CG2 3.32Å; E1217-T1221 WeakPolarHBondContact O-CG2 3.31Å; E1217-T1221 PolarHBondContact O-N 3.09Å; E1217-T1221 PolarHBondContact O-OG1 2.93Å; H1218-T1221 WeakPolarHBondContact CA-OG1 3.47Å; H1218-T1221 PolarHBondContact O-N 3.43Å; H1218-T1221 PolarHBondContact O-OG1 3.27Å; T1221-N1224 PolarHBondContact O-N 3.29Å; T1221-R1225 WeakPolarHBondContact O-CB 3.44Å; T1221-R1225 PolarHBondContact O-N 3.49Å
1222E88.2Confident89Confident74 Ų7495.4 Ų95.435%0.34648%0.484SS..Hα-helixtrans-69.4-37.3177.2-173.664-176.700112.9H1218 L1219 R1225 T1226H1218-E1222 WeakPolarHBondContact O-CB 3.5Å; H1218-E1222 PolarHBondContact O-N 3.24Å; L1219-E1222 PolarHBondContact O-N 3.45Å; E1222-R1225 WeakPolarHBondContact O-CB 3.36Å; E1222-R1225 PolarHBondContact O-N 2.89Å; E1222-R1225 IonicContact OE1-CZ 2.84Å; E1222-R1225 IonicContact OE1-NE 3.11Å; E1222-R1225 PolarHBondContact OE1-NE 3.18Å; E1222-R1225 IonicContact OE1-NH2 3.66Å; E1222-R1225 PolarHBondContact OE1-NH2 3.48Å; E1222-R1225 IonicContact OE2-CZ 3.71Å; E1222-R1225 IonicContact OE2-NE 2.7Å; E1222-R1225 PolarHBondContact OE2-NE 3.44Å; E1222-R1225 IonicContact OE2-NH2 3.62Å; E1222-T1226 WeakPolarHBondContact O-CB 3.27Å; E1222-T1226 PolarHBondContact O-N 2.84Å; E1222-T1226 PolarHBondContact O-OG1 3.35Å
1223L89.6Confident89.1Confident108 Ų10893.9 Ų93.957%0.56548%0.48SS*.Hα-helixtrans-61.5-49.5171.6-179.464.9000110.7L1219 R1225 T1226 I1227L1219-L1223 VanDerWaalsContact O-CB 3.28Å; L1219-L1223 WeakPolarHBondContact O-CB 3.46Å; L1219-L1223 PolarHBondContact O-N 2.98Å; L1223-R1225 VanDerWaalsContact C-N 3.32Å; L1223-R1225 PolarHBondContact O-N 2.94Å; L1223-T1226 PolarHBondContact O-N 3.35Å; L1223-T1226 VanDerWaalsContact O-N 3.07Å; L1223-I1227 HydrophobicContact CD1-CD1 4.35Å; L1223-I1227 HydrophobicContact CG-CD1 4.01Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; L1223-I1227 PolarHBondContact O-N 2.87Å
1224N90.7Very high89.2Confident88 Ų8893.7 Ų93.747%0.47147%0.474SS..Hα-helixtrans-59.4-42175.7-81-32.5000111.9R1220 T1221 T1226 I1227 Q1228R1220-N1224 WeakPolarHBondContact O-CB 3.47Å; R1220-N1224 PolarHBondContact O-N 3.28Å; R1220-N1224 PolarHBondContact O-ND2 3.44Å; T1221-N1224 PolarHBondContact O-N 3.29Å; N1224-T1226 VanDerWaalsContact C-N 3.25Å; N1224-T1226 PolarHBondContact O-N 3.37Å; N1224-I1227 PolarHBondContact O-N 2.89Å; N1224-Q1228 VanDerWaalsContact O-CG 3.32Å; N1224-Q1228 WeakPolarHBondContact O-CG 3.4Å; N1224-Q1228 PolarHBondContact O-N 2.84Å
1225R89.9Confident89.2Confident97 Ų9795.8 Ų95.837%0.36647%0.473SS..Hα-helixtrans-60.4-37.4175.2-164.8-167.462.148.7-19.4111.6T1221 E1222 L1223 K1229T1221-R1225 WeakPolarHBondContact O-CB 3.44Å; T1221-R1225 PolarHBondContact O-N 3.49Å; E1222-R1225 WeakPolarHBondContact O-CB 3.36Å; E1222-R1225 PolarHBondContact O-N 2.89Å; E1222-R1225 IonicContact OE1-CZ 2.84Å; E1222-R1225 IonicContact OE1-NE 3.11Å; E1222-R1225 PolarHBondContact OE1-NE 3.18Å; E1222-R1225 IonicContact OE1-NH2 3.66Å; E1222-R1225 PolarHBondContact OE1-NH2 3.48Å; E1222-R1225 IonicContact OE2-CZ 3.71Å; E1222-R1225 IonicContact OE2-NE 2.7Å; E1222-R1225 PolarHBondContact OE2-NE 3.44Å; E1222-R1225 IonicContact OE2-NH2 3.62Å; L1223-R1225 VanDerWaalsContact C-N 3.32Å; L1223-R1225 PolarHBondContact O-N 2.94Å; R1225-K1229 VanDerWaalsContact CZ-NZ 3.3Å; R1225-K1229 WeakPolarHBondContact O-CG 3.46Å; R1225-K1229 PolarHBondContact O-N 3.25Å; R1225-K1229 VanDerWaalsContact O-N 3.15Å
1226T86.5Confident89.5Confident67 Ų6796.1 Ų96.141%0.41148%0.475SS..Hα-helixtrans-74.3-42.3-179.9-590000111.5E1222 L1223 N1224 Q1228 K1229 E1230E1222-T1226 WeakPolarHBondContact O-CB 3.27Å; E1222-T1226 PolarHBondContact O-N 2.84Å; E1222-T1226 PolarHBondContact O-OG1 3.35Å; L1223-T1226 PolarHBondContact O-N 3.35Å; L1223-T1226 VanDerWaalsContact O-N 3.07Å; N1224-T1226 VanDerWaalsContact C-N 3.25Å; N1224-T1226 PolarHBondContact O-N 3.37Å; T1226-Q1228 VanDerWaalsContact C-N 3.31Å; T1226-Q1228 PolarHBondContact O-N 3.42Å; T1226-K1229 PolarHBondContact O-N 3.04Å; T1226-E1230 PolarHBondContact O-N 2.87Å
1227I91.4Very high89.5Confident77 Ų7798.9 Ų98.940%0.39548%0.484SS..Hα-helixtrans-57.9-44.1173.2-68.4167.2000110.9L1223 N1224 K1229 E1230 L1231L1223-I1227 HydrophobicContact CD1-CD1 4.35Å; L1223-I1227 HydrophobicContact CG-CD1 4.01Å; L1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; L1223-I1227 PolarHBondContact O-N 2.87Å; N1224-I1227 PolarHBondContact O-N 2.89Å; I1227-K1229 PolarHBondContact O-N 2.82Å; I1227-E1230 PolarHBondContact O-N 2.97Å; I1227-L1231 WeakPolarHBondContact O-CB 3.46Å; I1227-L1231 PolarHBondContact O-N 3.26Å
1228Q90.7Very high89.5Confident127 Ų12799.3 Ų99.359%0.59349%0.486SS*.Hα-helixtrans-64.9-39.5177.3-69.8-63.2-26.500112.4N1224 T1226 L1231 A1232N1224-Q1228 VanDerWaalsContact O-CG 3.32Å; N1224-Q1228 WeakPolarHBondContact O-CG 3.4Å; N1224-Q1228 PolarHBondContact O-N 2.84Å; T1226-Q1228 VanDerWaalsContact C-N 3.31Å; T1226-Q1228 PolarHBondContact O-N 3.42Å; Q1228-L1231 PolarHBondContact O-N 2.9Å; Q1228-A1232 WeakPolarHBondContact O-CB 3.45Å; Q1228-A1232 PolarHBondContact O-N 3.29Å
1229K90.9Very high89.4Confident115 Ų11599.6 Ų99.650%0.549%0.488SS..Hα-helixtrans-65-41.2173.8-74.8-175.3-174.3174.20111.9R1225 T1226 I1227 A1232 T1233R1225-K1229 VanDerWaalsContact CZ-NZ 3.3Å; R1225-K1229 WeakPolarHBondContact O-CG 3.46Å; R1225-K1229 PolarHBondContact O-N 3.25Å; R1225-K1229 VanDerWaalsContact O-N 3.15Å; T1226-K1229 PolarHBondContact O-N 3.04Å; I1227-K1229 PolarHBondContact O-N 2.82Å; K1229-A1232 PolarHBondContact O-N 3.4Å; K1229-T1233 WeakPolarHBondContact O-CG2 3.35Å; K1229-T1233 PolarHBondContact O-N 3.02Å; K1229-T1233 PolarHBondContact O-OG1 3.16Å
1230E89.8Confident89.5Confident94 Ų94100.7 Ų100.744%0.43949%0.494SS..Hα-helixtrans-64-40.3176-169.9-168.4163.600111.7T1226 I1227 T1233 K1234T1226-E1230 PolarHBondContact O-N 2.87Å; I1227-E1230 PolarHBondContact O-N 2.97Å; E1230-T1233 PolarHBondContact O-N 3.3Å; E1230-T1233 PolarHBondContact O-OG1 3.38Å; E1230-T1233 VanDerWaalsContact O-OG1 3.05Å; E1230-K1234 HydrophobicContact CG-CD 4.39Å; E1230-K1234 WeakPolarHBondContact O-CB 3.4Å; E1230-K1234 VanDerWaalsContact O-CG 3.28Å; E1230-K1234 WeakPolarHBondContact O-CG 3.26Å; E1230-K1234 PolarHBondContact O-N 3.35Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.48Å; E1230-K1234 IonicContact OE1-NZ 2.76Å; E1230-K1234 PolarHBondContact OE1-NZ 3.49Å
1231L88.7Confident89.5Confident82 Ų8297.3 Ų97.343%0.42949%0.487SS..Hα-helixtrans-64.5-41.8176-168.2149.6000111.2I1227 Q1228 K1234 Q1235I1227-L1231 WeakPolarHBondContact O-CB 3.46Å; I1227-L1231 PolarHBondContact O-N 3.26Å; Q1228-L1231 PolarHBondContact O-N 2.9Å; L1231-K1234 PolarHBondContact O-N 3.36Å; L1231-Q1235 HydrophobicContact CD2-CG 4.31Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.39Å; L1231-Q1235 PolarHBondContact O-N 2.89Å
1232A90.7Very high89.6Confident41 Ų4199.2 Ų99.234%0.33949%0.489SS..Hα-helixtrans-63.2-46.9175.600000112.3Q1228 K1229 K1234 Q1235 E1236Q1228-A1232 WeakPolarHBondContact O-CB 3.45Å; Q1228-A1232 PolarHBondContact O-N 3.29Å; K1229-A1232 PolarHBondContact O-N 3.4Å; A1232-K1234 VanDerWaalsContact C-N 3.33Å; A1232-K1234 PolarHBondContact O-N 2.91Å; A1232-Q1235 WeakPolarHBondContact O-CB 3.32Å; A1232-Q1235 PolarHBondContact O-N 3.38Å; A1232-E1236 WeakPolarHBondContact O-CG 3.33Å; A1232-E1236 PolarHBondContact O-N 3.34Å
1233T83.8Confident89.8Confident79 Ų7998.4 Ų98.449%0.48549%0.491SS..Hα-helixtrans-67.5-33.1178.2580000112.3K1229 E1230 E1236 M1237K1229-T1233 WeakPolarHBondContact O-CG2 3.35Å; K1229-T1233 PolarHBondContact O-N 3.02Å; K1229-T1233 PolarHBondContact O-OG1 3.16Å; E1230-T1233 PolarHBondContact O-N 3.3Å; E1230-T1233 PolarHBondContact O-OG1 3.38Å; E1230-T1233 VanDerWaalsContact O-OG1 3.05Å; T1233-E1236 PolarHBondContact O-N 3.04Å; T1233-M1237 WeakPolarHBondContact O-CB 3.4Å; T1233-M1237 PolarHBondContact O-N 3.16Å
1234K91.9Very high89.8Confident116 Ų11698.3 Ų98.350%0.50449%0.491SS..Hα-helixtrans-63.5-42.2171-78.9178.7-178170.70112E1230 L1231 A1232 M1237 E1238E1230-K1234 HydrophobicContact CG-CD 4.39Å; E1230-K1234 WeakPolarHBondContact O-CB 3.4Å; E1230-K1234 VanDerWaalsContact O-CG 3.28Å; E1230-K1234 WeakPolarHBondContact O-CG 3.26Å; E1230-K1234 PolarHBondContact O-N 3.35Å; E1230-K1234 WeakPolarHBondContact OE1-CE 3.48Å; E1230-K1234 IonicContact OE1-NZ 2.76Å; E1230-K1234 PolarHBondContact OE1-NZ 3.49Å; L1231-K1234 PolarHBondContact O-N 3.36Å; A1232-K1234 VanDerWaalsContact C-N 3.33Å; A1232-K1234 PolarHBondContact O-N 2.91Å; K1234-M1237 PolarHBondContact O-N 3.46Å; K1234-E1238 WeakPolarHBondContact O-CB 3.45Å; K1234-E1238 PolarHBondContact O-N 2.97Å
1235Q90.5Very high89.8Confident104 Ų10497.6 Ų97.649%0.48649%0.486SS..Hα-helixtrans-63.3-40.7174.9-75.1178.8-16.300112.1L1231 A1232 E1238 Q1239L1231-Q1235 HydrophobicContact CD2-CG 4.31Å; L1231-Q1235 WeakPolarHBondContact O-CG 3.39Å; L1231-Q1235 PolarHBondContact O-N 2.89Å; A1232-Q1235 WeakPolarHBondContact O-CB 3.32Å; A1232-Q1235 PolarHBondContact O-N 3.38Å; Q1235-E1238 PolarHBondContact O-N 2.88Å; Q1235-Q1239 WeakPolarHBondContact O-CG 3.29Å; Q1235-Q1239 PolarHBondContact O-N 2.94Å
1236E93.1Very high89.8Confident127 Ų12796.3 Ų96.359%0.59349%0.492SS*.Hα-helixtrans-63.4-42.7173.4-70.9177.917400111.9A1232 T1233 E1238 Q1239 L1240A1232-E1236 WeakPolarHBondContact O-CG 3.33Å; A1232-E1236 PolarHBondContact O-N 3.34Å; T1233-E1236 PolarHBondContact O-N 3.04Å; E1236-E1238 VanDerWaalsContact C-N 3.31Å; E1236-E1238 PolarHBondContact O-N 3.18Å; E1236-Q1239 PolarHBondContact O-N 3.29Å; E1236-L1240 WeakPolarHBondContact O-CB 3.34Å; E1236-L1240 PolarHBondContact O-N 3.5Å
1237M84.4Confident90Very high133 Ų133100.6 Ų100.666%0.65550%0.501SS*.Hα-helixtrans-63.3-38.9176.2-157.3-145.9-63.600111.3T1233 K1234 L1240 N1241T1233-M1237 WeakPolarHBondContact O-CB 3.4Å; T1233-M1237 PolarHBondContact O-N 3.16Å; K1234-M1237 PolarHBondContact O-N 3.46Å; M1237-L1240 PolarHBondContact O-N 2.93Å; M1237-N1241 VanDerWaalsContact O-CB 3.26Å; M1237-N1241 WeakPolarHBondContact O-CB 3.43Å; M1237-N1241 PolarHBondContact O-N 3.39Å
1238E89.3Confident89.9Confident100 Ų100102.6 Ų102.647%0.46751%0.509SS..Hα-helixtrans-65.4-40.4175.7-162.8-168152.400111.8K1234 Q1235 E1236 N1241 K1242K1234-E1238 WeakPolarHBondContact O-CB 3.45Å; K1234-E1238 PolarHBondContact O-N 2.97Å; Q1235-E1238 PolarHBondContact O-N 2.88Å; E1236-E1238 VanDerWaalsContact C-N 3.31Å; E1236-E1238 PolarHBondContact O-N 3.18Å; E1238-N1241 PolarHBondContact O-N 3.45Å; E1238-K1242 WeakPolarHBondContact O-CG 3.37Å; E1238-K1242 PolarHBondContact O-N 2.95Å; E1238-K1242 VanDerWaalsContact OE1-CE 3.23Å; E1238-K1242 WeakPolarHBondContact OE1-CE 3.37Å; E1238-K1242 IonicContact OE1-NZ 2.88Å; E1238-K1242 PolarHBondContact OE1-NZ 3.27Å
1239Q88.9Confident89.9Confident125 Ų125101.8 Ų101.858%0.58451%0.505SS*.Hα-helixtrans-64.3-41.9174-71.7175.732.600112.2Q1235 E1236 N1241 K1242 S1243Q1235-Q1239 WeakPolarHBondContact O-CG 3.29Å; Q1235-Q1239 PolarHBondContact O-N 2.94Å; E1236-Q1239 PolarHBondContact O-N 3.29Å; Q1239-N1241 VanDerWaalsContact C-N 3.35Å; Q1239-K1242 PolarHBondContact O-N 2.88Å; Q1239-S1243 PolarHBondContact O-N 2.91Å; Q1239-S1243 PolarHBondContact O-OG 2.92Å
1240L91.2Very high89.9Confident127 Ų127101.2 Ų101.267%0.66551%0.507SS*.Hα-helixtrans-66.6-38.8175.9-167.770.1000111.2E1236 M1237 S1243 L1244E1236-L1240 WeakPolarHBondContact O-CB 3.34Å; E1236-L1240 PolarHBondContact O-N 3.5Å; M1237-L1240 PolarHBondContact O-N 2.93Å; L1240-S1243 WeakPolarHBondContact O-CB 3.43Å; L1240-S1243 PolarHBondContact O-N 3.46Å; L1240-L1244 WeakPolarHBondContact O-CB 3.48Å; L1240-L1244 PolarHBondContact O-N 3.44Å
1241N90.9Very high89.9Confident84 Ų84100.1 Ų100.145%0.44951%0.507SS..Hα-helixtrans-63.4-43.5175.6-171.840000111.6M1237 E1238 Q1239 S1243 L1244 I1245M1237-N1241 VanDerWaalsContact O-CB 3.26Å; M1237-N1241 WeakPolarHBondContact O-CB 3.43Å; M1237-N1241 PolarHBondContact O-N 3.39Å; E1238-N1241 PolarHBondContact O-N 3.45Å; Q1239-N1241 VanDerWaalsContact C-N 3.35Å; N1241-S1243 VanDerWaalsContact C-N 3.3Å; N1241-S1243 PolarHBondContact O-N 2.98Å; N1241-L1244 WeakPolarHBondContact O-CB 3.28Å; N1241-L1244 PolarHBondContact O-N 2.92Å; N1241-I1245 WeakPolarHBondContact O-CG1 3.47Å; N1241-I1245 PolarHBondContact O-N 3.34Å
1242K90.5Very high90Very high119 Ų119100.6 Ų100.652%0.51751%0.51SS..Hα-helixtrans-58.8-42.1172-73.2169-175.3164.90111.8E1238 Q1239 I1245 S1246E1238-K1242 WeakPolarHBondContact O-CG 3.37Å; E1238-K1242 PolarHBondContact O-N 2.95Å; E1238-K1242 VanDerWaalsContact OE1-CE 3.23Å; E1238-K1242 WeakPolarHBondContact OE1-CE 3.37Å; E1238-K1242 IonicContact OE1-NZ 2.88Å; E1238-K1242 PolarHBondContact OE1-NZ 3.27Å; Q1239-K1242 PolarHBondContact O-N 2.88Å; K1242-I1245 PolarHBondContact O-N 3.33Å; K1242-S1246 PolarHBondContact O-N 3.3Å
1243S91.9Very high90.1Very high56 Ų56103.9 Ų103.939%0.39252%0.518SS..Hα-helixtrans-65.2-41.4176.4-57.60000111.8Q1239 L1240 N1241 S1246 Y1247Q1239-S1243 PolarHBondContact O-N 2.91Å; Q1239-S1243 PolarHBondContact O-OG 2.92Å; L1240-S1243 WeakPolarHBondContact O-CB 3.43Å; L1240-S1243 PolarHBondContact O-N 3.46Å; N1241-S1243 VanDerWaalsContact C-N 3.3Å; N1241-S1243 PolarHBondContact O-N 2.98Å; S1243-S1246 WeakPolarHBondContact O-CB 3.47Å; S1243-S1246 PolarHBondContact O-N 3.4Å; S1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; S1243-Y1247 PolarHBondContact O-N 2.93Å
1244L90Very high90.4Very high107 Ų107105.5 Ų105.556%0.5652%0.523SS*.Hα-helixtrans-61.4-43.6176.2-177.766.4000111.8L1240 N1241 S1246 Y1247 Q1248L1240-L1244 WeakPolarHBondContact O-CB 3.48Å; L1240-L1244 PolarHBondContact O-N 3.44Å; N1241-L1244 WeakPolarHBondContact O-CB 3.28Å; N1241-L1244 PolarHBondContact O-N 2.92Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 2.93Å; L1244-Y1247 PolarHBondContact O-N 3.01Å; L1244-Q1248 WeakPolarHBondContact O-CB 3.46Å; L1244-Q1248 PolarHBondContact O-N 3.18Å
1245I91.1Very high90.3Very high73 Ų73104 Ų10437%0.37452%0.521SS..Hα-helixtrans-60-45.6174.6-67.2164.3000110.1N1241 K1242 Y1247 Q1248 E1249N1241-I1245 WeakPolarHBondContact O-CG1 3.47Å; N1241-I1245 PolarHBondContact O-N 3.34Å; K1242-I1245 PolarHBondContact O-N 3.33Å; I1245-Y1247 VanDerWaalsContact C-N 3.34Å; I1245-Y1247 PolarHBondContact O-N 3.38Å; I1245-Q1248 WeakPolarHBondContact O-CB 3.38Å; I1245-Q1248 PolarHBondContact O-N 2.88Å; I1245-Q1248 VanDerWaalsContact O-N 3.1Å; I1245-E1249 WeakPolarHBondContact O-CG 3.34Å; I1245-E1249 PolarHBondContact O-N 3.5Å
1246S90.5Very high90.4Very high69 Ų69105.5 Ų105.548%0.48353%0.528SS..Hα-helixtrans-61-39.8176.1-1760000112.8K1242 S1243 L1244 Q1248 E1249 L1250K1242-S1246 PolarHBondContact O-N 3.3Å; S1243-S1246 WeakPolarHBondContact O-CB 3.47Å; S1243-S1246 PolarHBondContact O-N 3.4Å; L1244-S1246 VanDerWaalsContact C-N 3.34Å; L1244-S1246 PolarHBondContact O-N 2.93Å; S1246-Q1248 VanDerWaalsContact C-N 3.35Å; S1246-E1249 PolarHBondContact O-N 3.46Å; S1246-L1250 PolarHBondContact O-N 3.3Å
1247Y89.9Confident90.4Very high158 Ų158104 Ų10462%0.6252%0.523SS*.Hα-helixtrans-66.9-35.1173.4-77.8-63.9000112.9S1243 L1244 I1245 L1250 T1251S1243-Y1247 WeakPolarHBondContact O-CD2 3.41Å; S1243-Y1247 PolarHBondContact O-N 2.93Å; L1244-Y1247 PolarHBondContact O-N 3.01Å; I1245-Y1247 VanDerWaalsContact C-N 3.34Å; I1245-Y1247 PolarHBondContact O-N 3.38Å; Y1247-L1250 PolarHBondContact O-N 2.92Å; Y1247-T1251 WeakPolarHBondContact O-CB 3.47Å; Y1247-T1251 PolarHBondContact O-N 3.37Å; Y1247-T1251 PolarHBondContact O-OG1 2.84Å
1248Q89.9Confident90.7Very high118 Ų118104.4 Ų104.455%0.55152%0.521SS*.Hα-helixtrans-66.7-41.6175-176176.8-17.200111L1244 I1245 S1246 T1251 N1252L1244-Q1248 WeakPolarHBondContact O-CB 3.46Å; L1244-Q1248 PolarHBondContact O-N 3.18Å; I1245-Q1248 WeakPolarHBondContact O-CB 3.38Å; I1245-Q1248 PolarHBondContact O-N 2.88Å; I1245-Q1248 VanDerWaalsContact O-N 3.1Å; S1246-Q1248 VanDerWaalsContact C-N 3.35Å; Q1248-T1251 WeakPolarHBondContact O-CB 3.38Å; Q1248-T1251 PolarHBondContact O-N 3.14Å; Q1248-N1252 PolarHBondContact O-N 2.94Å; Q1248-N1252 PolarHBondContact O-ND2 3.29Å
1249E91Very high90.8Very high111 Ų111102.5 Ų102.552%0.51952%0.519SS..Hα-helixtrans-59.3-49.1172.3-71.8171.4177.900111.3I1245 S1246 T1251 N1252 E1253I1245-E1249 WeakPolarHBondContact O-CG 3.34Å; I1245-E1249 PolarHBondContact O-N 3.5Å; S1246-E1249 PolarHBondContact O-N 3.46Å; E1249-T1251 VanDerWaalsContact C-N 3.25Å; E1249-T1251 PolarHBondContact O-N 3.22Å; E1249-N1252 WeakPolarHBondContact O-CB 3.44Å; E1249-N1252 PolarHBondContact O-N 3.2Å; E1249-E1253 PolarHBondContact O-N 3.28Å
1250L90Very high91Very high103 Ų103100.5 Ų100.554%0.53952%0.515SS..Hα-helixtrans-60.9-35.5176.7-173.664000112.3S1246 Y1247 E1253 L1254S1246-L1250 PolarHBondContact O-N 3.3Å; Y1247-L1250 PolarHBondContact O-N 2.92Å; L1250-E1253 PolarHBondContact O-N 3.25Å; L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 PolarHBondContact O-N 3.2Å
1251T90.3Very high91Very high71 Ų7198 Ų9844%0.43650%0.502SS..Hα-helixtrans-68.3-38.9175.4-600000111.5Y1247 Q1248 E1249 L1254 N1255Y1247-T1251 WeakPolarHBondContact O-CB 3.47Å; Y1247-T1251 PolarHBondContact O-N 3.37Å; Y1247-T1251 PolarHBondContact O-OG1 2.84Å; Q1248-T1251 WeakPolarHBondContact O-CB 3.38Å; Q1248-T1251 PolarHBondContact O-N 3.14Å; E1249-T1251 VanDerWaalsContact C-N 3.25Å; E1249-T1251 PolarHBondContact O-N 3.22Å; T1251-L1254 PolarHBondContact O-N 3.31Å; T1251-N1255 WeakPolarHBondContact O-CB 3.18Å; T1251-N1255 VanDerWaalsContact O-CG 3.28Å; T1251-N1255 PolarHBondContact O-N 2.92Å; T1251-N1255 PolarHBondContact O-ND2 3.36Å
1252N91Very high91Very high92 Ų9299.3 Ų99.349%0.49251%0.506SS..Hα-helixtrans-64.7-43.8174.6-68.9-25000111.3Q1248 E1249 N1255 Q1256Q1248-N1252 PolarHBondContact O-N 2.94Å; Q1248-N1252 PolarHBondContact O-ND2 3.29Å; E1249-N1252 WeakPolarHBondContact O-CB 3.44Å; E1249-N1252 PolarHBondContact O-N 3.2Å; N1252-N1255 PolarHBondContact O-N 3.44Å; N1252-Q1256 WeakPolarHBondContact O-CB 3.31Å; N1252-Q1256 PolarHBondContact O-N 3.02Å
1253E92.7Very high91.1Very high109 Ų10998.8 Ų98.851%0.50951%0.505SS..Hα-helixtrans-60.8-44173.2-70.2-17517200111.7E1249 L1250 N1255 Q1256 I1257E1249-E1253 PolarHBondContact O-N 3.28Å; L1250-E1253 PolarHBondContact O-N 3.25Å; E1253-N1255 VanDerWaalsContact C-N 3.34Å; E1253-N1255 PolarHBondContact O-N 2.93Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.48Å; E1253-Q1256 PolarHBondContact O-N 2.88Å; E1253-I1257 WeakPolarHBondContact O-CB 3.36Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; E1253-I1257 PolarHBondContact O-N 3.28Å
1254L89.9Confident91.2Very high113 Ų113100.4 Ų100.459%0.59251%0.509SS*.Hα-helixtrans-61.6-42.3176.3-17764.7000111.6L1250 T1251 I1257 K1258L1250-L1254 WeakPolarHBondContact O-CB 3.41Å; L1250-L1254 PolarHBondContact O-N 3.2Å; T1251-L1254 PolarHBondContact O-N 3.31Å; L1254-I1257 PolarHBondContact O-N 2.8Å; L1254-K1258 VanDerWaalsContact O-CB 3.26Å; L1254-K1258 WeakPolarHBondContact O-CB 3.47Å; L1254-K1258 PolarHBondContact O-N 3.34Å
1255N89.2Confident91.3Very high86 Ų86104 Ų10446%0.4652%0.515SS..Hα-helixtrans-65.6-38.5175.8-75.8-33.5000111.9T1251 N1252 E1253 K1258 S1259T1251-N1255 WeakPolarHBondContact O-CB 3.18Å; T1251-N1255 VanDerWaalsContact O-CG 3.28Å; T1251-N1255 PolarHBondContact O-N 2.92Å; T1251-N1255 PolarHBondContact O-ND2 3.36Å; N1252-N1255 PolarHBondContact O-N 3.44Å; E1253-N1255 VanDerWaalsContact C-N 3.34Å; E1253-N1255 PolarHBondContact O-N 2.93Å; N1255-K1258 PolarHBondContact O-N 2.79Å; N1255-S1259 PolarHBondContact O-N 2.76Å
1256Q92Very high91.2Very high134 Ų134104.7 Ų104.763%0.62652%0.517SS*.Hα-helixtrans-63.8-48.3174.2-171.9-179.627.900111.2N1252 E1253 K1258 S1259 V1260N1252-Q1256 WeakPolarHBondContact O-CB 3.31Å; N1252-Q1256 PolarHBondContact O-N 3.02Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.48Å; E1253-Q1256 PolarHBondContact O-N 2.88Å; Q1256-K1258 VanDerWaalsContact C-N 3.27Å; Q1256-K1258 PolarHBondContact O-N 2.87Å; Q1256-S1259 WeakPolarHBondContact O-CB 3.3Å; Q1256-S1259 PolarHBondContact O-N 3.45Å; Q1256-S1259 VanDerWaalsContact O-N 3.14Å; Q1256-V1260 WeakPolarHBondContact O-CG2 3.26Å; Q1256-V1260 PolarHBondContact O-N 3.27Å
1257I93.4Very high91.3Very high95 Ų95106.6 Ų106.649%0.48752%0.518SS..Hα-helixtrans-60.3-39.1175.4-72.3168.6000110.8E1253 L1254 V1260 N1261E1253-I1257 WeakPolarHBondContact O-CB 3.36Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.41Å; E1253-I1257 PolarHBondContact O-N 3.28Å; L1254-I1257 PolarHBondContact O-N 2.8Å; I1257-V1260 PolarHBondContact O-N 3.1Å; I1257-N1261 VanDerWaalsContact CG2-ND2 3.3Å; I1257-N1261 WeakPolarHBondContact CG2-ND2 3.35Å; I1257-N1261 VanDerWaalsContact O-CB 3.28Å; I1257-N1261 WeakPolarHBondContact O-CB 3.48Å; I1257-N1261 PolarHBondContact O-N 3.43Å; I1257-N1261 PolarHBondContact O-ND2 3.2Å
1258K91.8Very high91.5Very high143 Ų143102.9 Ų102.962%0.62251%0.508SS*.Hα-helixtrans-63.4-42.8175.6-172.9178.5177.6-176.70111.5L1254 N1255 Q1256 N1261 Q1262L1254-K1258 VanDerWaalsContact O-CB 3.26Å; L1254-K1258 WeakPolarHBondContact O-CB 3.47Å; L1254-K1258 PolarHBondContact O-N 3.34Å; N1255-K1258 PolarHBondContact O-N 2.79Å; Q1256-K1258 VanDerWaalsContact C-N 3.27Å; Q1256-K1258 PolarHBondContact O-N 2.87Å; K1258-N1261 PolarHBondContact O-N 2.94Å; K1258-Q1262 WeakPolarHBondContact O-CB 3.36Å; K1258-Q1262 PolarHBondContact O-N 3.46Å
1259S90.1Very high91.6Very high59 Ų59102.5 Ų102.541%0.41351%0.509SS..Hα-helixtrans-62.2-46.4174.9-174.80000111.9N1255 Q1256 N1261 Q1262 Q1263N1255-S1259 PolarHBondContact O-N 2.76Å; Q1256-S1259 WeakPolarHBondContact O-CB 3.3Å; Q1256-S1259 PolarHBondContact O-N 3.45Å; Q1256-S1259 VanDerWaalsContact O-N 3.14Å; S1259-N1261 PolarHBondContact O-N 2.96Å; S1259-Q1262 WeakPolarHBondContact O-CB 3.42Å; S1259-Q1262 PolarHBondContact O-N 3.09Å; S1259-Q1263 WeakPolarHBondContact O-CG 3.47Å; S1259-Q1263 PolarHBondContact O-N 2.84Å
1260V93.7Very high91.6Very high84 Ų84104.9 Ų104.951%0.50951%0.513SS..Hα-helixtrans-61.9-43.3176.1173.50000111.2Q1256 I1257 Q1262 Q1263 L1264Q1256-V1260 WeakPolarHBondContact O-CG2 3.26Å; Q1256-V1260 PolarHBondContact O-N 3.27Å; I1257-V1260 PolarHBondContact O-N 3.1Å; V1260-Q1262 VanDerWaalsContact C-N 3.32Å; V1260-Q1262 PolarHBondContact O-N 2.9Å; V1260-Q1263 PolarHBondContact O-N 3.29Å; V1260-L1264 WeakPolarHBondContact O-CB 3.45Å; V1260-L1264 PolarHBondContact O-N 3.44Å
1261N91.8Very high91.7Very high75 Ų75104.9 Ų104.940%0.40151%0.513SS..Hα-helixtrans-63.3-37.6175.8-85.1-51.7000112.5I1257 K1258 S1259 L1264 R1265I1257-N1261 VanDerWaalsContact CG2-ND2 3.3Å; I1257-N1261 WeakPolarHBondContact CG2-ND2 3.35Å; I1257-N1261 VanDerWaalsContact O-CB 3.28Å; I1257-N1261 WeakPolarHBondContact O-CB 3.48Å; I1257-N1261 PolarHBondContact O-N 3.43Å; I1257-N1261 PolarHBondContact O-ND2 3.2Å; K1258-N1261 PolarHBondContact O-N 2.94Å; S1259-N1261 PolarHBondContact O-N 2.96Å; N1261-L1264 PolarHBondContact O-N 2.99Å; N1261-R1265 VanDerWaalsContact O-CG 3.28Å; N1261-R1265 WeakPolarHBondContact O-CG 3.28Å; N1261-R1265 PolarHBondContact O-N 3.1Å
1262Q91Very high91.9Very high111 Ų111107 Ų10752%0.51952%0.518SS..Hα-helixtrans-64.4-47.3174.3-179176.6-13.800111K1258 S1259 V1260 L1264 R1265 E1266K1258-Q1262 WeakPolarHBondContact O-CB 3.36Å; K1258-Q1262 PolarHBondContact O-N 3.46Å; S1259-Q1262 WeakPolarHBondContact O-CB 3.42Å; S1259-Q1262 PolarHBondContact O-N 3.09Å; V1260-Q1262 VanDerWaalsContact C-N 3.32Å; V1260-Q1262 PolarHBondContact O-N 2.9Å; Q1262-L1264 VanDerWaalsContact C-N 3.3Å; Q1262-L1264 PolarHBondContact O-N 2.92Å; Q1262-R1265 PolarHBondContact O-N 2.9Å; Q1262-E1266 PolarHBondContact NE2-OE1 3.37Å; Q1262-E1266 WeakPolarHBondContact O-CG 3.28Å; Q1262-E1266 PolarHBondContact O-N 3Å
1263Q92.8Very high91.9Very high108 Ų108106 Ų10651%0.50552%0.516SS..Hα-helixtrans-58.7-41.7176-72.1-178.7-8.200112.1S1259 V1260 E1266 Q1267S1259-Q1263 WeakPolarHBondContact O-CG 3.47Å; S1259-Q1263 PolarHBondContact O-N 2.84Å; V1260-Q1263 PolarHBondContact O-N 3.29Å; Q1263-E1266 PolarHBondContact O-N 2.84Å; Q1263-Q1267 WeakPolarHBondContact O-CG 3.46Å; Q1263-Q1267 PolarHBondContact O-N 3.4Å
1264L92.3Very high92Very high89 Ų89107.4 Ų107.447%0.46652%0.52SS..Hα-helixtrans-63.6-42.6177.3-177.561.5000111.8V1260 N1261 Q1262 E1266 Q1267 I1268V1260-L1264 WeakPolarHBondContact O-CB 3.45Å; V1260-L1264 PolarHBondContact O-N 3.44Å; N1261-L1264 PolarHBondContact O-N 2.99Å; Q1262-L1264 VanDerWaalsContact C-N 3.3Å; Q1262-L1264 PolarHBondContact O-N 2.92Å; L1264-E1266 VanDerWaalsContact C-N 3.34Å; L1264-E1266 PolarHBondContact O-N 3.37Å; L1264-Q1267 PolarHBondContact O-N 3.14Å; L1264-I1268 HydrophobicContact CD1-CD1 4.45Å; L1264-I1268 HydrophobicContact CG-CD1 4.13Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.42Å; L1264-I1268 PolarHBondContact O-N 3.19Å
1265R93.1Very high92.1Very high184 Ų184105.9 Ų105.969%0.69452%0.515SS*.Hα-helixtrans-61.3-42.3175-72.4170.7-174.1-87.30.5111.8N1261 Q1262 Q1267 I1268 L1269N1261-R1265 VanDerWaalsContact O-CG 3.28Å; N1261-R1265 WeakPolarHBondContact O-CG 3.28Å; N1261-R1265 PolarHBondContact O-N 3.1Å; Q1262-R1265 PolarHBondContact O-N 2.9Å; R1265-Q1267 VanDerWaalsContact C-N 3.34Å; R1265-Q1267 PolarHBondContact O-N 3.48Å; R1265-I1268 PolarHBondContact O-N 3.26Å; R1265-L1269 WeakPolarHBondContact O-CB 3.45Å; R1265-L1269 PolarHBondContact O-N 3.03Å
1266E89.8Confident92.3Very high87 Ų87108.9 Ų108.941%0.40752%0.524SS..Hα-helixtrans-64.2-37.2176.3-71.2174.9-163.100112.3Q1262 Q1263 L1264 R1270Q1262-E1266 PolarHBondContact NE2-OE1 3.37Å; Q1262-E1266 WeakPolarHBondContact O-CG 3.28Å; Q1262-E1266 PolarHBondContact O-N 3Å; Q1263-E1266 PolarHBondContact O-N 2.84Å; L1264-E1266 VanDerWaalsContact C-N 3.34Å; L1264-E1266 PolarHBondContact O-N 3.37Å; E1266-R1270 WeakPolarHBondContact O-CG 3.44Å; E1266-R1270 PolarHBondContact O-N 3.13Å
1267Q92.8Very high92.5Very high109 Ų109107.2 Ų107.251%0.50952%0.519SS..Hα-helixtrans-66.8-44.9174.1-72.7-174.13300112.4Q1263 L1264 R1265 L1269 R1270 L1271Q1263-Q1267 WeakPolarHBondContact O-CG 3.46Å; Q1263-Q1267 PolarHBondContact O-N 3.4Å; L1264-Q1267 PolarHBondContact O-N 3.14Å; R1265-Q1267 VanDerWaalsContact C-N 3.34Å; R1265-Q1267 PolarHBondContact O-N 3.48Å; Q1267-L1269 VanDerWaalsContact C-N 3.32Å; Q1267-L1269 PolarHBondContact O-N 2.98Å; Q1267-R1270 PolarHBondContact O-N 3.32Å; Q1267-L1271 WeakPolarHBondContact O-CG 3.48Å; Q1267-L1271 PolarHBondContact O-N 2.99Å
1268I92.3Very high92.3Very high79 Ų79110 Ų11041%0.40552%0.524SS..Hα-helixtrans-57.8-47.6175.8-70167.4000109.5L1264 R1265 R1270 L1271 E1272L1264-I1268 HydrophobicContact CD1-CD1 4.45Å; L1264-I1268 HydrophobicContact CG-CD1 4.13Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.42Å; L1264-I1268 PolarHBondContact O-N 3.19Å; R1265-I1268 PolarHBondContact O-N 3.26Å; I1268-R1270 VanDerWaalsContact C-N 3.34Å; I1268-R1270 PolarHBondContact O-N 3.37Å; I1268-L1271 CarbonylContact O-C 3.58Å; I1268-L1271 PolarHBondContact O-N 3.46Å; I1268-L1271 VanDerWaalsContact O-N 3.09Å; I1268-E1272 HydrophobicContact CG2-CG 4.17Å; I1268-E1272 WeakPolarHBondContact O-CB 3.39Å; I1268-E1272 WeakPolarHBondContact O-CG 3.4Å; I1268-E1272 PolarHBondContact O-N 3.48Å
1269L91.8Very high92.4Very high110 Ų110106.9 Ų106.958%0.57651%0.514SS*.Hα-helixtrans-62.8-37.5179.7-162.2120.8000112.8R1265 Q1267 T1273R1265-L1269 WeakPolarHBondContact O-CB 3.45Å; R1265-L1269 PolarHBondContact O-N 3.03Å; Q1267-L1269 VanDerWaalsContact C-N 3.32Å; Q1267-L1269 PolarHBondContact O-N 2.98Å; L1269-T1273 WeakPolarHBondContact O-CB 3.35Å; L1269-T1273 PolarHBondContact O-N 3.06Å; L1269-T1273 PolarHBondContact O-OG1 2.94Å
1270R92.4Very high92.5Very high161 Ų161108 Ų10861%0.60852%0.519SS*.Hα-helixtrans-64.9-41.3172.6-77.1179.1-173.2152.56.6112.1E1266 Q1267 I1268 T1273 K1274E1266-R1270 WeakPolarHBondContact O-CG 3.44Å; E1266-R1270 PolarHBondContact O-N 3.13Å; Q1267-R1270 PolarHBondContact O-N 3.32Å; I1268-R1270 VanDerWaalsContact C-N 3.34Å; I1268-R1270 PolarHBondContact O-N 3.37Å; R1270-T1273 PolarHBondContact O-N 2.93Å; R1270-K1274 WeakPolarHBondContact O-CG 3.41Å; R1270-K1274 PolarHBondContact O-N 3.25Å
1271L92.4Very high92.4Very high103 Ų103109.7 Ų109.754%0.53952%0.521SS..Hα-helixtrans-67.7-44.2177-74.9171.9000111.3Q1267 I1268 T1273 K1274 V1275Q1267-L1271 WeakPolarHBondContact O-CG 3.48Å; Q1267-L1271 PolarHBondContact O-N 2.99Å; I1268-L1271 CarbonylContact O-C 3.58Å; I1268-L1271 PolarHBondContact O-N 3.46Å; I1268-L1271 VanDerWaalsContact O-N 3.09Å; L1271-T1273 VanDerWaalsContact C-N 3.29Å; L1271-T1273 PolarHBondContact O-N 3.25Å; L1271-K1274 CarbonylContact O-C 3.56Å; L1271-K1274 WeakPolarHBondContact O-CB 3.34Å; L1271-K1274 PolarHBondContact O-N 2.97Å; L1271-K1274 VanDerWaalsContact O-N 3.1Å; L1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; L1271-V1275 PolarHBondContact O-N 3.09Å
1272E92.9Very high92.4Very high117 Ų117108.9 Ų108.955%0.54752%0.516SS..Hα-helixtrans-58.8-41.3174-73175.9160.200111.5I1268 V1275 K1276I1268-E1272 HydrophobicContact CG2-CG 4.17Å; I1268-E1272 WeakPolarHBondContact O-CB 3.39Å; I1268-E1272 WeakPolarHBondContact O-CG 3.4Å; I1268-E1272 PolarHBondContact O-N 3.48Å; E1272-V1275 PolarHBondContact O-N 3Å; E1272-K1276 WeakPolarHBondContact O-CB 3.45Å; E1272-K1276 PolarHBondContact O-N 3.48Å
1273T92.1Very high92.4Very high71 Ų71107.4 Ų107.444%0.43651%0.512SS..Hα-helixtrans-63.4-41.7174.4-56.60000111.6L1269 R1270 L1271 K1276 N1277L1269-T1273 WeakPolarHBondContact O-CB 3.35Å; L1269-T1273 PolarHBondContact O-N 3.06Å; L1269-T1273 PolarHBondContact O-OG1 2.94Å; R1270-T1273 PolarHBondContact O-N 2.93Å; L1271-T1273 VanDerWaalsContact C-N 3.29Å; L1271-T1273 PolarHBondContact O-N 3.25Å; T1273-K1276 PolarHBondContact O-N 3.48Å; T1273-N1277 PolarHBondContact O-N 3.05Å
1274K93.5Very high92.3Very high137 Ų137103.7 Ų103.760%0.59650%0.503SS*.Hα-helixtrans-63.8-42.7174.4-76.4178.2179.4-179.10111.9R1270 L1271 N1277 R1278R1270-K1274 WeakPolarHBondContact O-CG 3.41Å; R1270-K1274 PolarHBondContact O-N 3.25Å; L1271-K1274 CarbonylContact O-C 3.56Å; L1271-K1274 WeakPolarHBondContact O-CB 3.34Å; L1271-K1274 PolarHBondContact O-N 2.97Å; L1271-K1274 VanDerWaalsContact O-N 3.1Å; K1274-N1277 PolarHBondContact O-N 3.48Å; K1274-R1278 WeakPolarHBondContact O-CG 3.48Å; K1274-R1278 PolarHBondContact O-N 2.8Å
1275V93.5Very high92.1Very high82 Ų82103.8 Ų103.850%0.49750%0.504SS..Hα-helixtrans-62.1-48.6176.6170.40000109.9L1271 E1272 N1277 R1278 D1279L1271-V1275 WeakPolarHBondContact O-CG2 3.34Å; L1271-V1275 PolarHBondContact O-N 3.09Å; E1272-V1275 PolarHBondContact O-N 3Å; V1275-N1277 VanDerWaalsContact C-N 3.33Å; V1275-N1277 PolarHBondContact O-N 2.76Å; V1275-R1278 CarbonylContact O-C 3.55Å; V1275-R1278 WeakPolarHBondContact O-CB 3.27Å; V1275-R1278 PolarHBondContact O-N 2.97Å; V1275-R1278 VanDerWaalsContact O-N 3.08Å; V1275-D1279 PolarHBondContact O-N 2.95Å
1276K93.8Very high91.9Very high148 Ų148101.7 Ų101.764%0.64350%0.496SS*.Hα-helixtrans-57.4-43.9176.2-173.2178.6-179.3179.10112.4E1272 T1273 D1279 T1280E1272-K1276 WeakPolarHBondContact O-CB 3.45Å; E1272-K1276 PolarHBondContact O-N 3.48Å; T1273-K1276 PolarHBondContact O-N 3.48Å; K1276-D1279 PolarHBondContact O-N 3.47Å; K1276-T1280 WeakPolarHBondContact O-CG2 3.35Å; K1276-T1280 PolarHBondContact O-N 3.35Å; K1276-T1280 PolarHBondContact O-OG1 3.43Å
1277N94.3Very high91.8Very high99 Ų99103 Ų10353%0.52951%0.505SS..Hα-helixtrans-61.9-44.2175.5-78.3-1.9000111.6T1273 K1274 V1275 D1279 T1280 E1281T1273-N1277 PolarHBondContact O-N 3.05Å; K1274-N1277 PolarHBondContact O-N 3.48Å; V1275-N1277 VanDerWaalsContact C-N 3.33Å; V1275-N1277 PolarHBondContact O-N 2.76Å; N1277-D1279 VanDerWaalsContact C-N 3.31Å; N1277-D1279 PolarHBondContact O-N 3.39Å; N1277-T1280 WeakPolarHBondContact CA-OG1 3.42Å; N1277-T1280 PolarHBondContact O-N 2.94Å; N1277-T1280 PolarHBondContact O-OG1 2.81Å; N1277-E1281 WeakPolarHBondContact O-CB 3.35Å; N1277-E1281 PolarHBondContact O-N 3.31Å
1278R90.5Very high91.6Very high154 Ų154106.4 Ų106.458%0.58151%0.514SS*.Hα-helixtrans-63.7-35.2175.3-70.7-175.969.1710.1112.5K1274 V1275 E1281 N1282K1274-R1278 WeakPolarHBondContact O-CG 3.48Å; K1274-R1278 PolarHBondContact O-N 2.8Å; V1275-R1278 CarbonylContact O-C 3.55Å; V1275-R1278 WeakPolarHBondContact O-CB 3.27Å; V1275-R1278 PolarHBondContact O-N 2.97Å; V1275-R1278 VanDerWaalsContact O-N 3.08Å; R1278-E1281 PolarHBondContact O-N 3.38Å; R1278-N1282 VanDerWaalsContact O-CB 3.27Å; R1278-N1282 WeakPolarHBondContact O-CB 3.48Å; R1278-N1282 PolarHBondContact O-N 3.1Å; R1278-N1282 PolarHBondContact O-ND2 2.92Å
1279D93.8Very high91.1Very high77 Ų77108.3 Ų108.341%0.41252%0.524SS..Hα-helixtrans-69.1-39175.1-73.1-31.3000111.8V1275 K1276 N1277 N1282 N1283V1275-D1279 PolarHBondContact O-N 2.95Å; K1276-D1279 PolarHBondContact O-N 3.47Å; N1277-D1279 VanDerWaalsContact C-N 3.31Å; N1277-D1279 PolarHBondContact O-N 3.39Å; D1279-N1282 PolarHBondContact O-N 3.08Å; D1279-N1283 WeakPolarHBondContact O-CB 3.22Å; D1279-N1283 PolarHBondContact O-N 2.69Å; D1279-N1283 PolarHBondContact O-ND2 2.84Å
1280T91.2Very high90.6Very high84 Ų84105.6 Ų105.652%0.51552%0.518SS..Hα-helixtrans-65.5-39.5172.957.60000112.4K1276 N1277 N1283 G1284K1276-T1280 WeakPolarHBondContact O-CG2 3.35Å; K1276-T1280 PolarHBondContact O-N 3.35Å; K1276-T1280 PolarHBondContact O-OG1 3.43Å; N1277-T1280 WeakPolarHBondContact CA-OG1 3.42Å; N1277-T1280 PolarHBondContact O-N 2.94Å; N1277-T1280 PolarHBondContact O-OG1 2.81Å; T1280-N1283 PolarHBondContact O-N 3.45Å; T1280-G1284 PolarHBondContact O-N 3.26Å
1281E92.7Very high90.1Very high118 Ų118104.2 Ų104.255%0.55152%0.516SS*.Hα-helixtrans-64.7-47.1174.6-174.7-179.3-173.200110.9N1277 R1278 N1283 G1284 L1285N1277-E1281 WeakPolarHBondContact O-CB 3.35Å; N1277-E1281 PolarHBondContact O-N 3.31Å; R1278-E1281 PolarHBondContact O-N 3.38Å; E1281-N1283 VanDerWaalsContact C-N 3.34Å; E1281-N1283 PolarHBondContact O-N 2.81Å; E1281-G1284 PolarHBondContact O-N 2.83Å; E1281-L1285 WeakPolarHBondContact O-CG 3.5Å; E1281-L1285 PolarHBondContact O-N 3.45Å
1282N91Very high89.2Confident58 Ų58105.1 Ų105.131%0.3152%0.519SS..Hα-helixtrans-60.9-41.3175.9-87-28.3000112.3R1278 D1279 L1285 R1286R1278-N1282 VanDerWaalsContact O-CB 3.27Å; R1278-N1282 WeakPolarHBondContact O-CB 3.48Å; R1278-N1282 PolarHBondContact O-N 3.1Å; R1278-N1282 PolarHBondContact O-ND2 2.92Å; D1279-N1282 PolarHBondContact O-N 3.08Å; N1282-L1285 PolarHBondContact O-N 2.91Å; N1282-R1286 WeakPolarHBondContact O-CB 3.44Å; N1282-R1286 VanDerWaalsContact O-CG 3.29Å; N1282-R1286 WeakPolarHBondContact O-CG 3.42Å; N1282-R1286 PolarHBondContact O-N 3.43Å
1283N90.9Very high88.3Confident80 Ų80102 Ų10243%0.42851%0.514SS..Hα-helixtrans-66-41.4175.7-73.2-14000111.3D1279 T1280 E1281 L1285 R1286 D1287D1279-N1283 WeakPolarHBondContact O-CB 3.22Å; D1279-N1283 PolarHBondContact O-N 2.69Å; D1279-N1283 PolarHBondContact O-ND2 2.84Å; T1280-N1283 PolarHBondContact O-N 3.45Å; E1281-N1283 VanDerWaalsContact C-N 3.34Å; E1281-N1283 PolarHBondContact O-N 2.81Å; N1283-L1285 VanDerWaalsContact C-N 3.3Å; N1283-L1285 PolarHBondContact O-N 3.42Å; N1283-R1286 PolarHBondContact O-N 3.21Å; N1283-R1286 VanDerWaalsContact O-N 3.16Å; N1283-R1286 PolarHBondContact OD1-NH1 3.42Å; N1283-D1287 PolarHBondContact O-N 3.26Å
1284G91.9Very high87.5Confident31 Ų31103.4 Ų103.432%0.3252%0.521SS..Hα-helixtrans-61.1-37.5172.800000113.2T1280 E1281 R1288T1280-G1284 PolarHBondContact O-N 3.26Å; E1281-G1284 PolarHBondContact O-N 2.83Å; G1284-R1288 WeakPolarHBondContact O-CB 3.38Å; G1284-R1288 WeakPolarHBondContact O-CG 3.34Å; G1284-R1288 PolarHBondContact O-N 3.34Å
1285L87.8Confident86.7Confident91 Ų91100.6 Ų100.648%0.47651%0.513SS..Hα-helixtrans-67.3-41.9172.8-70.6175.4000111.9E1281 N1282 N1283 R1288 L1289E1281-L1285 WeakPolarHBondContact O-CG 3.5Å; E1281-L1285 PolarHBondContact O-N 3.45Å; N1282-L1285 PolarHBondContact O-N 2.91Å; N1283-L1285 VanDerWaalsContact C-N 3.3Å; N1283-L1285 PolarHBondContact O-N 3.42Å; L1285-R1288 PolarHBondContact O-N 3.44Å; L1285-L1289 WeakPolarHBondContact O-CB 3.33Å; L1285-L1289 PolarHBondContact O-N 2.86Å
1286R89.2Confident85.7Confident139 Ų13999.1 Ų99.153%0.52550%0.504SS..Hα-helixtrans-63-43175.3-74176.2-171.5120.32112N1282 N1283 L1289 A1290N1282-R1286 WeakPolarHBondContact O-CB 3.44Å; N1282-R1286 VanDerWaalsContact O-CG 3.29Å; N1282-R1286 WeakPolarHBondContact O-CG 3.42Å; N1282-R1286 PolarHBondContact O-N 3.43Å; N1283-R1286 PolarHBondContact O-N 3.21Å; N1283-R1286 VanDerWaalsContact O-N 3.16Å; N1283-R1286 PolarHBondContact OD1-NH1 3.42Å; R1286-L1289 WeakPolarHBondContact O-CB 3.29Å; R1286-L1289 PolarHBondContact O-N 2.84Å; R1286-A1290 WeakPolarHBondContact O-CB 2.97Å; R1286-A1290 PolarHBondContact O-N 3.16Å
1287D87.5Confident84.7Confident114 Ų11496.3 Ų96.361%0.6150%0.496SS*.Hα-helixtrans-65.8-41.8178.2-71.8-17.3000111.5N1283 L1289 A1290 K1291N1283-D1287 PolarHBondContact O-N 3.26Å; D1287-L1289 VanDerWaalsContact C-N 3.34Å; D1287-A1290 PolarHBondContact O-N 2.9Å; D1287-K1291 WeakPolarHBondContact O-CB 3.34Å; D1287-K1291 PolarHBondContact O-N 2.93Å
1288R87.8Confident83.5Confident182 Ų18295 Ų9569%0.68750%0.495SS*.Hα-helixtrans-61.5-43.4172.8-79.2178.7174.1-174.6-0.1111.5G1284 L1285 K1291 M1292G1284-R1288 WeakPolarHBondContact O-CB 3.38Å; G1284-R1288 WeakPolarHBondContact O-CG 3.34Å; G1284-R1288 PolarHBondContact O-N 3.34Å; L1285-R1288 PolarHBondContact O-N 3.44Å; R1288-K1291 PolarHBondContact O-N 3.46Å; R1288-M1292 WeakPolarHBondContact O-CB 3.44Å; R1288-M1292 VanDerWaalsContact O-CG 3.26Å; R1288-M1292 WeakPolarHBondContact O-CG 3.49Å; R1288-M1292 PolarHBondContact O-N 2.88Å
1289L82.5Confident82.5Confident118 Ų11894.8 Ų94.862%0.61849%0.494SS*.Hα-helixtrans-63.6-46177.5-176.466.1000111.3L1285 R1286 D1287 K1291 M1292 A1293L1285-L1289 WeakPolarHBondContact O-CB 3.33Å; L1285-L1289 PolarHBondContact O-N 2.86Å; R1286-L1289 WeakPolarHBondContact O-CB 3.29Å; R1286-L1289 PolarHBondContact O-N 2.84Å; D1287-L1289 VanDerWaalsContact C-N 3.34Å; L1289-K1291 PolarHBondContact O-N 3.46Å; L1289-M1292 PolarHBondContact O-N 3.47Å; L1289-A1293 WeakPolarHBondContact O-CB 3.12Å; L1289-A1293 PolarHBondContact O-N 2.85Å
1290A80.7Confident81.3Confident54 Ų5495 Ų9545%0.44649%0.494SS..Hα-helixtrans-61-44.3176.600000111.5R1286 D1287 M1292 A1293 V1294R1286-A1290 WeakPolarHBondContact O-CB 2.97Å; R1286-A1290 PolarHBondContact O-N 3.16Å; D1287-A1290 PolarHBondContact O-N 2.9Å; A1290-M1292 PolarHBondContact O-N 3.39Å; A1290-A1293 PolarHBondContact O-N 3.14Å; A1290-V1294 WeakPolarHBondContact O-CG2 3.26Å; A1290-V1294 PolarHBondContact O-N 3.15Å
1291K81.7Confident80.3Confident131 Ų13194.7 Ų94.757%0.5749%0.49SS*.Hα-helixtrans-62.5-42.9175.2-174.1177-177.1-620111.9D1287 R1288 L1289 V1294 D1295D1287-K1291 WeakPolarHBondContact O-CB 3.34Å; D1287-K1291 PolarHBondContact O-N 2.93Å; R1288-K1291 PolarHBondContact O-N 3.46Å; L1289-K1291 PolarHBondContact O-N 3.46Å; K1291-V1294 PolarHBondContact O-N 3.45Å; K1291-D1295 IonicContact NZ-OD2 2.85Å; K1291-D1295 PolarHBondContact NZ-OD2 2.85Å; K1291-D1295 WeakPolarHBondContact O-CB 3.29Å; K1291-D1295 PolarHBondContact O-N 3.32Å
1292M72.9Confident79.3Confident123 Ų12397.2 Ų97.261%0.60650%0.499SS*.Hα-helixtrans-62.8-42.2175.7-76.7178.564.500111.6R1288 L1289 A1290 D1295 T1296R1288-M1292 WeakPolarHBondContact O-CB 3.44Å; R1288-M1292 VanDerWaalsContact O-CG 3.26Å; R1288-M1292 WeakPolarHBondContact O-CG 3.49Å; R1288-M1292 PolarHBondContact O-N 2.88Å; L1289-M1292 PolarHBondContact O-N 3.47Å; A1290-M1292 PolarHBondContact O-N 3.39Å; M1292-D1295 PolarHBondContact O-N 3.05Å; M1292-T1296 WeakPolarHBondContact O-CB 3.41Å; M1292-T1296 WeakPolarHBondContact O-CG2 3.5Å; M1292-T1296 PolarHBondContact O-N 2.83Å; M1292-T1296 PolarHBondContact O-OG1 2.88Å
1293A74.4Confident78.4Confident52 Ų5298.1 Ų98.143%0.4351%0.506SS..Hα-helixtrans-59.7-47.4176.900000111.4L1289 A1290 T1296 D1297L1289-A1293 WeakPolarHBondContact O-CB 3.12Å; L1289-A1293 PolarHBondContact O-N 2.85Å; A1290-A1293 PolarHBondContact O-N 3.14Å; A1293-T1296 WeakPolarHBondContact CA-OG1 3.4Å; A1293-T1296 PolarHBondContact O-N 2.56Å; A1293-T1296 PolarHBondContact O-OG1 3.26Å; A1293-D1297 WeakPolarHBondContact O-CB 3.36Å; A1293-D1297 PolarHBondContact O-N 2.86Å
1294V75.7Confident77.4Confident99 Ų9997.2 Ų97.260%0.650%0.501SS*.Hα-helixtrans-64.8-42.7177175.30000112.3A1290 K1291 T1296 D1297 S1298A1290-V1294 WeakPolarHBondContact O-CG2 3.26Å; A1290-V1294 PolarHBondContact O-N 3.15Å; K1291-V1294 PolarHBondContact O-N 3.45Å; V1294-T1296 VanDerWaalsContact C-N 3.27Å; V1294-T1296 PolarHBondContact O-N 2.82Å; V1294-D1297 PolarHBondContact O-N 3.43Å; V1294-S1298 PolarHBondContact O-N 2.74Å; V1294-S1298 PolarHBondContact O-OG 3.41Å
1295D75.9Confident76.3Confident78 Ų78100.6 Ų100.642%0.41751%0.511SS..Hα-helixtrans-66.5-28.2177.1-81.7-16.8000112K1291 M1292 R1299K1291-D1295 IonicContact NZ-OD2 2.85Å; K1291-D1295 PolarHBondContact NZ-OD2 2.85Å; K1291-D1295 WeakPolarHBondContact O-CB 3.29Å; K1291-D1295 PolarHBondContact O-N 3.32Å; M1292-D1295 PolarHBondContact O-N 3.05Å; D1295-R1299 PolarHBondContact O-NH1 2.89Å
1296T73.9Confident75.3Confident52 Ų52103.5 Ų103.532%0.31952%0.519SS..Hα-helixtrans-80-42.7173.950.40000112.7M1292 A1293 V1294 R1299 I1300M1292-T1296 WeakPolarHBondContact O-CB 3.41Å; M1292-T1296 WeakPolarHBondContact O-CG2 3.5Å; M1292-T1296 PolarHBondContact O-N 2.83Å; M1292-T1296 PolarHBondContact O-OG1 2.88Å; A1293-T1296 WeakPolarHBondContact CA-OG1 3.4Å; A1293-T1296 PolarHBondContact O-N 2.56Å; A1293-T1296 PolarHBondContact O-OG1 3.26Å; V1294-T1296 VanDerWaalsContact C-N 3.27Å; V1294-T1296 PolarHBondContact O-N 2.82Å; T1296-R1299 PolarHBondContact O-N 3.25Å; T1296-I1300 WeakPolarHBondContact O-CB 3.38Å; T1296-I1300 WeakPolarHBondContact O-CD1 3.21Å; T1296-I1300 WeakPolarHBondContact O-CG1 3.3Å; T1296-I1300 PolarHBondContact O-N 3.48Å
1297D71.9Confident74.4Confident89 Ų89101.2 Ų101.248%0.47652%0.518SS..Hα-helixtrans-61.7-51.1-176.4-164.346.9000111.2A1293 V1294 R1299 I1300 D1301A1293-D1297 WeakPolarHBondContact O-CB 3.36Å; A1293-D1297 PolarHBondContact O-N 2.86Å; V1294-D1297 PolarHBondContact O-N 3.43Å; D1297-R1299 PolarHBondContact O-N 3.41Å; D1297-R1299 VanDerWaalsContact O-N 3.14Å; D1297-I1300 PolarHBondContact O-N 2.69Å; D1297-I1300 VanDerWaalsContact O-N 3.13Å; D1297-D1301 PolarHBondContact O-N 3.39Å
1298S70.6Confident73.6Confident71 Ų7197.3 Ų97.350%0.49750%0.497SS..Hα-helixtrans-60.4-28.4176.561.10000114.2V1294V1294-S1298 PolarHBondContact O-N 2.74Å; V1294-S1298 PolarHBondContact O-OG 3.41Å
1299R68.4Low72.8Confident149 Ų14994 Ų9456%0.56249%0.492SS*.Hα-helixtrans-81.8-39.6177.3-169.3172.370.6-110.76.6111.5D1295 T1296 D1297 V1303D1295-R1299 PolarHBondContact O-NH1 2.89Å; T1296-R1299 PolarHBondContact O-N 3.25Å; D1297-R1299 PolarHBondContact O-N 3.41Å; D1297-R1299 VanDerWaalsContact O-N 3.14Å; R1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; R1299-V1303 PolarHBondContact O-N 2.82Å
1300I68.2Low72.1Confident82 Ų8292.8 Ų92.842%0.42149%0.486SS..Hα-helixtrans-63.9-50.4177.2-69.3159.2000109T1296 D1297 K1302 V1303 L1304T1296-I1300 WeakPolarHBondContact O-CB 3.38Å; T1296-I1300 WeakPolarHBondContact O-CD1 3.21Å; T1296-I1300 WeakPolarHBondContact O-CG1 3.3Å; T1296-I1300 PolarHBondContact O-N 3.48Å; D1297-I1300 PolarHBondContact O-N 2.69Å; D1297-I1300 VanDerWaalsContact O-N 3.13Å; I1300-K1302 VanDerWaalsContact C-N 3.34Å; I1300-K1302 PolarHBondContact O-N 2.79Å; I1300-V1303 PolarHBondContact O-N 3.43Å; I1300-V1303 VanDerWaalsContact O-N 3.11Å; I1300-L1304 HydrophobicContact CG2-CD1 4.08Å; I1300-L1304 WeakPolarHBondContact O-CB 3.32Å; I1300-L1304 PolarHBondContact O-N 2.69Å
1301D69.9Low71.4Confident78 Ų7893 Ų9342%0.41748%0.484SS..Hα-helixtrans-54.6-47.4179.1-80.3-10.3000112.8D1297 V1303 L1304 I1305D1297-D1301 PolarHBondContact O-N 3.39Å; D1301-V1303 VanDerWaalsContact C-N 3.29Å; D1301-V1303 PolarHBondContact O-N 2.85Å; D1301-L1304 PolarHBondContact O-N 2.84Å; D1301-I1305 WeakPolarHBondContact O-CB 3.22Å; D1301-I1305 WeakPolarHBondContact O-CD1 3.19Å; D1301-I1305 VanDerWaalsContact O-CG1 3.24Å; D1301-I1305 WeakPolarHBondContact O-CG1 3.3Å; D1301-I1305 PolarHBondContact O-N 3.29Å
1302K72.4Confident70.8Confident170 Ų17089.8 Ų89.874%0.73947%0.468SS*.Hα-helixtrans-64.3-35-178.4-145.5-179.6-169.6-173.60112.3I1300 K1306I1300-K1302 VanDerWaalsContact C-N 3.34Å; I1300-K1302 PolarHBondContact O-N 2.79Å; K1302-K1306 WeakPolarHBondContact O-CB 3.34Å; K1302-K1306 PolarHBondContact O-N 2.73Å
1303V73.2Confident70.7Confident77 Ų7789.5 Ų89.547%0.46747%0.469SS..Hα-helixtrans-77.1-41.6176172.30000111R1299 I1300 D1301 K1306 N1307R1299-V1303 WeakPolarHBondContact O-CG2 3.38Å; R1299-V1303 PolarHBondContact O-N 2.82Å; I1300-V1303 PolarHBondContact O-N 3.43Å; I1300-V1303 VanDerWaalsContact O-N 3.11Å; D1301-V1303 VanDerWaalsContact C-N 3.29Å; D1301-V1303 PolarHBondContact O-N 2.85Å; V1303-K1306 PolarHBondContact O-N 3.35Å; V1303-N1307 WeakPolarHBondContact O-CB 3.22Å; V1303-N1307 VanDerWaalsContact O-CG 3.32Å; V1303-N1307 PolarHBondContact O-N 3.49Å; V1303-N1307 PolarHBondContact O-ND2 2.93Å
1304L69.1Low70.4Confident61 Ų6194 Ų9432%0.31948%0.481SS..Hα-helixtrans-60.8-52179.3-135.193.5000110.4I1300 D1301 K1306 N1307 L1308 F1381I1300-L1304 HydrophobicContact CG2-CD1 4.08Å; I1300-L1304 WeakPolarHBondContact O-CB 3.32Å; I1300-L1304 PolarHBondContact O-N 2.69Å; D1301-L1304 PolarHBondContact O-N 2.84Å; L1304-K1306 VanDerWaalsContact C-N 3.33Å; L1304-K1306 PolarHBondContact O-N 3.47Å; L1304-N1307 PolarHBondContact O-N 3.38Å; L1304-L1308 VanDerWaalsContact O-CB 3.3Å; L1304-L1308 WeakPolarHBondContact O-CB 3.35Å; L1304-L1308 PolarHBondContact O-N 2.73Å; L1304-F1381 HydrophobicContact CD1-CE1 4.06Å; L1304-F1381 HydrophobicContact CD1-CZ 4.44Å
1305I69.2Low69.8Low102 Ų10291.5 Ų91.552%0.52346%0.464SS..Hα-helixtrans-60.3-43.7179.6-66.9161.2000110.6D1301 N1307 L1308 L1309D1301-I1305 WeakPolarHBondContact O-CB 3.22Å; D1301-I1305 WeakPolarHBondContact O-CD1 3.19Å; D1301-I1305 VanDerWaalsContact O-CG1 3.24Å; D1301-I1305 WeakPolarHBondContact O-CG1 3.3Å; D1301-I1305 PolarHBondContact O-N 3.29Å; I1305-N1307 PolarHBondContact O-N 2.98Å; I1305-L1308 PolarHBondContact O-N 3.44Å; I1305-L1309 WeakPolarHBondContact O-CB 3.38Å; I1305-L1309 PolarHBondContact O-N 3.33Å
1306K65.5Low69.1Low152 Ų15291.6 Ų91.666%0.66147%0.469SS*.Hα-helixtrans-62.9-43.7179.1-166.3-177178.4-173.70111.5K1302 V1303 L1304 L1310K1302-K1306 WeakPolarHBondContact O-CB 3.34Å; K1302-K1306 PolarHBondContact O-N 2.73Å; V1303-K1306 PolarHBondContact O-N 3.35Å; L1304-K1306 VanDerWaalsContact C-N 3.33Å; L1304-K1306 PolarHBondContact O-N 3.47Å; K1306-L1310 VanDerWaalsContact O-CB 3.28Å; K1306-L1310 WeakPolarHBondContact O-CB 3.19Å; K1306-L1310 PolarHBondContact O-N 2.9Å
1307N70.6Confident68.5Low91 Ų9192.5 Ų92.549%0.48748%0.482SS..Hα-helixtrans-70.7-36.4178.5-72.7-17.8000112.4V1303 L1304 I1305 L1310 S1311V1303-N1307 WeakPolarHBondContact O-CB 3.22Å; V1303-N1307 VanDerWaalsContact O-CG 3.32Å; V1303-N1307 PolarHBondContact O-N 3.49Å; V1303-N1307 PolarHBondContact O-ND2 2.93Å; L1304-N1307 PolarHBondContact O-N 3.38Å; I1305-N1307 PolarHBondContact O-N 2.98Å; N1307-L1310 PolarHBondContact O-N 3.49Å; N1307-S1311 WeakPolarHBondContact O-CB 3.46Å; N1307-S1311 PolarHBondContact O-N 2.92Å; N1307-S1311 PolarHBondContact O-OG 3.02Å
1308L71.9Confident67.9Low33 Ų3393.1 Ų93.117%0.17349%0.493CS..Hα-helixtrans-66.3-42.8177.4-15773.3000111.2L1304 I1305 S1311 Y1312 I1327 L1330 L1331L1304-L1308 VanDerWaalsContact O-CB 3.3Å; L1304-L1308 WeakPolarHBondContact O-CB 3.35Å; L1304-L1308 PolarHBondContact O-N 2.73Å; I1305-L1308 PolarHBondContact O-N 3.44Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; L1308-S1311 PolarHBondContact O-OG 2.95Å; L1308-Y1312 WeakPolarHBondContact O-CB 3.5Å; L1308-Y1312 PolarHBondContact O-N 3.32Å; L1308-I1327 HydrophobicContact CD1-CG1 4.12Å; L1308-I1327 HydrophobicContact CD2-CG1 4.46Å; L1308-I1327 HydrophobicContact CD2-CG2 3.86Å; L1308-I1327 HydrophobicContact CG-CD1 4.46Å; L1308-I1327 HydrophobicContact CG-CG1 4.04Å; L1308-I1327 HydrophobicContact CG-CG2 4.25Å; L1308-L1330 HydrophobicContact CD1-CD2 3.4Å; L1308-L1330 VanDerWaalsContact CD1-CD2 3.4Å; L1308-L1330 HydrophobicContact CD2-CD2 3.96Å; L1308-L1330 HydrophobicContact CG-CD2 4.35Å; L1308-L1331 HydrophobicContact CD2-CD1 3.87Å; L1308-L1331 HydrophobicContact CD2-CD2 4.45Å; L1308-L1331 HydrophobicContact CD2-CG 3.98Å
1309L70.3Confident67.3Low112 Ų11294.6 Ų94.659%0.58649%0.492SS*.Hα-helixtrans-66.1-41.1175.1-139.697.1000111.6I1305 Y1312 L1313I1305-L1309 WeakPolarHBondContact O-CB 3.38Å; I1305-L1309 PolarHBondContact O-N 3.33Å; L1309-Y1312 PolarHBondContact O-N 3.3Å; L1309-L1313 PolarHBondContact O-N 3.32Å
1310L67.1Low67Low93 Ų9392.2 Ų92.249%0.48748%0.483SS..Hα-helixtrans-66.6-44.2-179.7-153.479.2000111.5K1306 N1307 L1313 Q1314K1306-L1310 VanDerWaalsContact O-CB 3.28Å; K1306-L1310 WeakPolarHBondContact O-CB 3.19Å; K1306-L1310 PolarHBondContact O-N 2.9Å; N1307-L1310 PolarHBondContact O-N 3.49Å; L1310-L1313 PolarHBondContact O-N 2.78Å; L1310-Q1314 WeakPolarHBondContact O-CB 3.38Å; L1310-Q1314 WeakPolarHBondContact O-CG 3.49Å; L1310-Q1314 PolarHBondContact O-N 2.8Å; L1310-Q1314 VanDerWaalsContact O-N 3.11Å
1311S66.7Low66.6Low57 Ų5792.4 Ų92.440%0.39949%0.492SS..Hα-helixtrans-63-42.4176.145.60000110.8N1307 L1308 L1315N1307-S1311 WeakPolarHBondContact O-CB 3.46Å; N1307-S1311 PolarHBondContact O-N 2.92Å; N1307-S1311 PolarHBondContact O-OG 3.02Å; L1308-S1311 WeakPolarHBondContact CA-OG 3.36Å; L1308-S1311 PolarHBondContact O-OG 2.95Å; S1311-L1315 WeakPolarHBondContact O-CD1 3.38Å
1312Y68.8Low66.2Low64 Ų6491.9 Ų91.925%0.25149%0.494SS..Hα-helixtrans-59.6-49.4173.8-176-116.1000113.9L1308 L1309 Q1314 L1315 R1320 A1323 I1324 I1327L1308-Y1312 WeakPolarHBondContact O-CB 3.5Å; L1308-Y1312 PolarHBondContact O-N 3.32Å; L1309-Y1312 PolarHBondContact O-N 3.3Å; Y1312-Q1314 VanDerWaalsContact C-N 3.29Å; Y1312-Q1314 PolarHBondContact O-N 3.46Å; Y1312-L1315 PolarHBondContact O-N 2.8Å; Y1312-R1320 HydrophobicContact CE2-CB 3.81Å; Y1312-R1320 HydrophobicContact CE2-CG 4.12Å; Y1312-R1320 WeakPolarHBondContact CE2-O 3.24Å; Y1312-A1323 HydrophobicContact CD2-CB 3.95Å; Y1312-A1323 HydrophobicContact CE2-CB 4.32Å; Y1312-I1324 HydrophobicContact CD2-CG1 4.38Å; Y1312-I1324 HydrophobicContact CE2-CD1 3.84Å; Y1312-I1324 HydrophobicContact CE2-CG1 3.48Å; Y1312-I1324 VanDerWaalsContact CE2-CG1 3.48Å; Y1312-I1324 WeakPolarHBondContact OH-CD1 3.18Å; Y1312-I1327 HydrophobicContact CD2-CD1 3.65Å; Y1312-I1327 HydrophobicContact CG-CD1 3.83Å
1313L72.1Confident65.8Low118 Ų11884.4 Ų84.462%0.61846%0.464SS*.Hα-helixtrans-66.3-31.1-176.5-108.282.8000112.9L1309 L1310 L1315L1309-L1313 PolarHBondContact O-N 3.32Å; L1310-L1313 PolarHBondContact O-N 2.78Å; L1313-L1315 VanDerWaalsContact C-N 3.28Å; L1313-L1315 PolarHBondContact O-N 2.87Å
1314Q67.5Low65.4Low147 Ų14782.1 Ų82.169%0.68745%0.448SS*.Hα-helixtrans-75.9-11.8-179.5-76.4176.8-18.600113.8L1310 Y1312L1310-Q1314 WeakPolarHBondContact O-CB 3.38Å; L1310-Q1314 WeakPolarHBondContact O-CG 3.49Å; L1310-Q1314 PolarHBondContact O-N 2.8Å; L1310-Q1314 VanDerWaalsContact O-N 3.11Å; Y1312-Q1314 VanDerWaalsContact C-N 3.29Å; Y1312-Q1314 PolarHBondContact O-N 3.46Å
1315L63Low65.3Low46 Ų4687.7 Ų87.724%0.24147%0.465CS..SBendtrans-76.4138.1179.7-78.6127.8000112.7S1311 Y1312 L1313 Q1319 R1320 A1323S1311-L1315 WeakPolarHBondContact O-CD1 3.38Å; Y1312-L1315 PolarHBondContact O-N 2.8Å; L1313-L1315 VanDerWaalsContact C-N 3.28Å; L1313-L1315 PolarHBondContact O-N 2.87Å; L1315-Q1319 HydrophobicContact CD2-CB 3.77Å; L1315-R1320 HydrophobicContact CB-CG 4.19Å; L1315-R1320 PolarHBondContact O-NE 3.04Å; L1315-R1320 PolarHBondContact O-NH2 3.2Å; L1315-A1323 HydrophobicContact CD1-CB 3.72Å
1316P60.8Low65.2Low79 Ų7987.7 Ų87.751%0.51347%0.47SS..  trans-54.8146.6168.4-21.831.5000111.4S1318 Q1319 R1320P1316-S1318 PolarHBondContact O-N 3.19Å; P1316-Q1319 PolarHBondContact O-N 3.24Å; P1316-R1320 PolarHBondContact O-N 2.89Å
1317A60.6Low65.2Low72 Ų7281.7 Ų81.760%0.59545%0.445SS*.Hα-helixtrans-54.1-29.4-17300000114.4Q1319A1317-Q1319 VanDerWaalsContact C-N 3.3Å; A1317-Q1319 PolarHBondContact O-N 3.4Å
1318S59.5Low65Low101 Ų10177.3 Ų77.371%0.70642%0.421SS*.Hα-helixtrans-69.4-22.8177.855.10000114.3P1316P1316-S1318 PolarHBondContact O-N 3.19Å
1319Q58.7Low64.6Low102 Ų10279.5 Ų79.548%0.47744%0.439SS..Hα-helixtrans-103.4-12.3-179-64.8-170.29.700113.5L1315 P1316 A1317 S1321 S1322 A1323L1315-Q1319 HydrophobicContact CD2-CB 3.77Å; P1316-Q1319 PolarHBondContact O-N 3.24Å; A1317-Q1319 VanDerWaalsContact C-N 3.3Å; A1317-Q1319 PolarHBondContact O-N 3.4Å; Q1319-S1321 VanDerWaalsContact C-N 3.29Å; Q1319-S1321 PolarHBondContact O-N 3.27Å; Q1319-S1322 PolarHBondContact O-N 2.85Å; Q1319-S1322 VanDerWaalsContact O-N 3.08Å; Q1319-S1322 PolarHBondContact O-OG 2.77Å; Q1319-A1323 PolarHBondContact O-N 3.43Å
1320R61.6Low64.4Low100 Ų10078.4 Ų78.438%0.37743%0.434SS..Hα-helixtrans-59.4-35.3-179.1-70.2-174.9-159.11460.3113.3Y1312 L1315 P1316 S1322 A1323 I1324Y1312-R1320 HydrophobicContact CE2-CB 3.81Å; Y1312-R1320 HydrophobicContact CE2-CG 4.12Å; Y1312-R1320 WeakPolarHBondContact CE2-O 3.24Å; L1315-R1320 HydrophobicContact CB-CG 4.19Å; L1315-R1320 PolarHBondContact O-NE 3.04Å; L1315-R1320 PolarHBondContact O-NH2 3.2Å; P1316-R1320 PolarHBondContact O-N 2.89Å; R1320-S1322 VanDerWaalsContact C-N 3.33Å; R1320-S1322 PolarHBondContact O-N 3.11Å; R1320-A1323 PolarHBondContact O-N 3.13Å; R1320-I1324 PolarHBondContact O-N 3.26Å
1321S60Low64.3Low86 Ų8678.3 Ų78.360%0.60143%0.433SS*.Hα-helixtrans-64-37.717657.10000112.5Q1319 R1325Q1319-S1321 VanDerWaalsContact C-N 3.29Å; Q1319-S1321 PolarHBondContact O-N 3.27Å; S1321-R1325 PolarHBondContact O-N 3.15Å
1322S61Low64Low67 Ų6783.1 Ų83.147%0.46945%0.449SS..Hα-helixtrans-68.8-40.4173.178.50000111.4Q1319 R1320 R1325 V1326Q1319-S1322 PolarHBondContact O-N 2.85Å; Q1319-S1322 VanDerWaalsContact O-N 3.08Å; Q1319-S1322 PolarHBondContact O-OG 2.77Å; R1320-S1322 VanDerWaalsContact C-N 3.33Å; R1320-S1322 PolarHBondContact O-N 3.11Å; S1322-R1325 WeakPolarHBondContact O-CB 3.42Å; S1322-R1325 PolarHBondContact O-N 3.31Å; S1322-R1325 VanDerWaalsContact O-N 3.13Å; S1322-V1326 PolarHBondContact O-N 2.92Å; S1322-V1326 VanDerWaalsContact O-N 3.14Å
1323A64.3Low63.4Low12 Ų1283.3 Ų83.310%0.09945%0.452CS..Hα-helixtrans-67.6-40.3179.400000112.2Y1312 L1315 Q1319 R1320 R1325 V1326 I1327Y1312-A1323 HydrophobicContact CD2-CB 3.95Å; Y1312-A1323 HydrophobicContact CE2-CB 4.32Å; L1315-A1323 HydrophobicContact CD1-CB 3.72Å; Q1319-A1323 PolarHBondContact O-N 3.43Å; R1320-A1323 PolarHBondContact O-N 3.13Å; A1323-R1325 PolarHBondContact O-N 3.14Å; A1323-V1326 PolarHBondContact O-N 2.95Å; A1323-I1327 VanDerWaalsContact O-CB 3.27Å; A1323-I1327 WeakPolarHBondContact O-CB 3.45Å; A1323-I1327 WeakPolarHBondContact O-CG1 3.32Å; A1323-I1327 PolarHBondContact O-N 3.28Å
1324I65.9Low62.8Low29 Ų2980.3 Ų80.315%0.14944%0.44CS..Hα-helixtrans-57.3-39.4170-84151.9000110.8Y1312 R1320 V1326 I1327 G1328 I1341Y1312-I1324 HydrophobicContact CD2-CG1 4.38Å; Y1312-I1324 HydrophobicContact CE2-CD1 3.84Å; Y1312-I1324 HydrophobicContact CE2-CG1 3.48Å; Y1312-I1324 VanDerWaalsContact CE2-CG1 3.48Å; Y1312-I1324 WeakPolarHBondContact OH-CD1 3.18Å; R1320-I1324 PolarHBondContact O-N 3.26Å; I1324-V1326 VanDerWaalsContact C-N 3.34Å; I1324-V1326 PolarHBondContact O-N 3.44Å; I1324-I1327 PolarHBondContact O-N 2.95Å; I1324-G1328 WeakPolarHBondContact O-CA 3.33Å; I1324-G1328 PolarHBondContact O-N 3.39Å; I1324-I1341 HydrophobicContact CB-CG2 4.47Å; I1324-I1341 HydrophobicContact CD1-CG2 3.46Å; I1324-I1341 VanDerWaalsContact CD1-CG2 3.46Å; I1324-I1341 HydrophobicContact CG1-CG2 4.03Å; I1324-I1341 HydrophobicContact CG2-CB 4.25Å; I1324-I1341 HydrophobicContact CG2-CG2 3.68Å
1325R67.2Low62.3Low179 Ų17979.8 Ų79.868%0.67544%0.442SS*.Hα-helixtrans-64.9-42.3180-164.3177.2-65.3-164.4-2111.2S1321 S1322 A1323 S1329 Y1338S1321-R1325 PolarHBondContact O-N 3.15Å; S1322-R1325 WeakPolarHBondContact O-CB 3.42Å; S1322-R1325 PolarHBondContact O-N 3.31Å; S1322-R1325 VanDerWaalsContact O-N 3.13Å; A1323-R1325 PolarHBondContact O-N 3.14Å; R1325-S1329 WeakPolarHBondContact O-CB 3.35Å; R1325-S1329 PolarHBondContact O-N 2.9Å; R1325-S1329 PolarHBondContact O-OG 3.09Å; R1325-Y1338 HydrophobicContact CG-CE1 4.18Å
1326V66.4Low62.1Low102 Ų10284 Ų8462%0.61846%0.46SS*.Hα-helixtrans-69.2-44.1176.7178.30000111.6S1322 A1323 I1324 S1329 L1330S1322-V1326 PolarHBondContact O-N 2.92Å; S1322-V1326 VanDerWaalsContact O-N 3.14Å; A1323-V1326 PolarHBondContact O-N 2.95Å; I1324-V1326 VanDerWaalsContact C-N 3.34Å; I1324-V1326 PolarHBondContact O-N 3.44Å; V1326-S1329 WeakPolarHBondContact O-CB 3.49Å; V1326-S1329 PolarHBondContact O-N 2.83Å; V1326-L1330 PolarHBondContact O-N 2.94Å
1327I66Low62.1Low25 Ų2582.7 Ų82.713%0.12845%0.449CS..Hα-helixtrans-66.8-42.6178.7-71.9168.6000111L1308 Y1312 A1323 I1324 S1329 L1330 L1331L1308-I1327 HydrophobicContact CD1-CG1 4.12Å; L1308-I1327 HydrophobicContact CD2-CG1 4.46Å; L1308-I1327 HydrophobicContact CD2-CG2 3.86Å; L1308-I1327 HydrophobicContact CG-CD1 4.46Å; L1308-I1327 HydrophobicContact CG-CG1 4.04Å; L1308-I1327 HydrophobicContact CG-CG2 4.25Å; Y1312-I1327 HydrophobicContact CD2-CD1 3.65Å; Y1312-I1327 HydrophobicContact CG-CD1 3.83Å; A1323-I1327 VanDerWaalsContact O-CB 3.27Å; A1323-I1327 WeakPolarHBondContact O-CB 3.45Å; A1323-I1327 WeakPolarHBondContact O-CG1 3.32Å; A1323-I1327 PolarHBondContact O-N 3.28Å; I1324-I1327 PolarHBondContact O-N 2.95Å; I1327-S1329 VanDerWaalsContact C-N 3.26Å; I1327-S1329 PolarHBondContact O-N 3.39Å; I1327-L1330 CarbonylContact O-C 3.56Å; I1327-L1330 WeakPolarHBondContact O-CA 3.39Å; I1327-L1330 WeakPolarHBondContact O-CB 3.41Å; I1327-L1330 PolarHBondContact O-N 3.08Å; I1327-L1330 VanDerWaalsContact O-N 3.08Å; I1327-L1331 HydrophobicContact CG2-CD1 3.63Å; I1327-L1331 HydrophobicContact CG2-CG 4.46Å; I1327-L1331 WeakPolarHBondContact O-CB 3.3Å; I1327-L1331 PolarHBondContact O-N 3.21Å
1328G65.8Low62Low0 Ų082 Ų820%043%0.432CS..Hα-helixtrans-64.5-32.6173.300000111.7I1324 L1330 E1332 F1333 Y1338I1324-G1328 WeakPolarHBondContact O-CA 3.33Å; I1324-G1328 PolarHBondContact O-N 3.39Å; G1328-L1330 VanDerWaalsContact C-N 3.31Å; G1328-E1332 CarbonylContact O-C 3.56Å; G1328-E1332 WeakPolarHBondContact O-CA 3.24Å; G1328-E1332 PolarHBondContact O-N 2.97Å; G1328-F1333 PolarHBondContact O-N 3.34Å; G1328-Y1338 PolarHBondContact O-OH 2.97Å
1329S64.4Low61.6Low79 Ų7983.5 Ų83.555%0.55243%0.431SS*.Hα-helixtrans-69.9-31.8171.6-62.90000111.5R1325 V1326 I1327 Y1338R1325-S1329 WeakPolarHBondContact O-CB 3.35Å; R1325-S1329 PolarHBondContact O-N 2.9Å; R1325-S1329 PolarHBondContact O-OG 3.09Å; V1326-S1329 WeakPolarHBondContact O-CB 3.49Å; V1326-S1329 PolarHBondContact O-N 2.83Å; I1327-S1329 VanDerWaalsContact C-N 3.26Å; I1327-S1329 PolarHBondContact O-N 3.39Å; S1329-Y1338 VanDerWaalsContact CA-OH 3.24Å; S1329-Y1338 WeakPolarHBondContact CA-OH 3.38Å; S1329-Y1338 PolarHBondContact N-OH 3.4Å; S1329-Y1338 PolarHBondContact OG-OH 2.84Å; S1329-Y1338 VanDerWaalsContact OG-OH 3.09Å
1330L65Low61.6Low89 Ų8985.6 Ų85.647%0.46644%0.439SS..Hα-helixtrans-78.8-30.3177.3-16176.4000113.2L1308 V1326 I1327 G1328L1308-L1330 HydrophobicContact CD1-CD2 3.4Å; L1308-L1330 VanDerWaalsContact CD1-CD2 3.4Å; L1308-L1330 HydrophobicContact CD2-CD2 3.96Å; L1308-L1330 HydrophobicContact CG-CD2 4.35Å; V1326-L1330 PolarHBondContact O-N 2.94Å; I1327-L1330 CarbonylContact O-C 3.56Å; I1327-L1330 WeakPolarHBondContact O-CA 3.39Å; I1327-L1330 WeakPolarHBondContact O-CB 3.41Å; I1327-L1330 PolarHBondContact O-N 3.08Å; I1327-L1330 VanDerWaalsContact O-N 3.08Å; G1328-L1330 VanDerWaalsContact C-N 3.31Å
1331L64.4Low61.4Low90 Ų9084.4 Ų84.447%0.47144%0.439SS..THydrogen-bonded Turntrans-100.97.6179.5-73.4167.9000113.2L1308 I1327 F1333L1308-L1331 HydrophobicContact CD2-CD1 3.87Å; L1308-L1331 HydrophobicContact CD2-CD2 4.45Å; L1308-L1331 HydrophobicContact CD2-CG 3.98Å; I1327-L1331 HydrophobicContact CG2-CD1 3.63Å; I1327-L1331 HydrophobicContact CG2-CG 4.46Å; I1327-L1331 WeakPolarHBondContact O-CB 3.3Å; I1327-L1331 PolarHBondContact O-N 3.21Å; L1331-F1333 HydrophobicContact CB-CD1 4.07Å; L1331-F1333 HydrophobicContact CB-CE1 3.91Å; L1331-F1333 HydrophobicContact CD1-CE1 4.21Å; L1331-F1333 HydrophobicContact CD1-CZ 4.3Å; L1331-F1333 PolarHBondContact O-N 3.46Å
1332E61.4Low60.9Low159 Ų15982.4 Ų82.474%0.74343%0.432SS*.THydrogen-bonded Turntrans53.644.8-178.9-58.2-174.1172.200114.9G1328 S1334G1328-E1332 CarbonylContact O-C 3.56Å; G1328-E1332 WeakPolarHBondContact O-CA 3.24Å; G1328-E1332 PolarHBondContact O-N 2.97Å; E1332-S1334 PolarHBondContact O-N 2.91Å
1333F56.1Low59.7Low68 Ų6885.8 Ų85.830%0.29845%0.445SS..  trans-58.5131170.2-775.6000110G1328 L1331 D1337 Y1338 I1341G1328-F1333 PolarHBondContact O-N 3.34Å; L1331-F1333 HydrophobicContact CB-CD1 4.07Å; L1331-F1333 HydrophobicContact CB-CE1 3.91Å; L1331-F1333 HydrophobicContact CD1-CE1 4.21Å; L1331-F1333 HydrophobicContact CD1-CZ 4.3Å; L1331-F1333 PolarHBondContact O-N 3.46Å; F1333-D1337 HydrophobicContact CB-CB 3.88Å; F1333-D1337 HydrophobicContact CD2-CB 4.44Å; F1333-D1337 HydrophobicContact CG-CB 4.15Å; F1333-Y1338 HydrophobicContact CB-CE1 4.48Å; F1333-Y1338 HydrophobicContact CB-CE2 4.23Å; F1333-Y1338 WeakPolarHBondContact O-CE2 3.44Å; F1333-I1341 HydrophobicContact CD2-CD1 3.76Å; F1333-I1341 HydrophobicContact CE2-CD1 3.58Å
1334S59.9Low58Low54 Ų5493 Ų9338%0.37848%0.477SS..  trans-67.1160.9175.970.50000110.7E1332 E1336 D1337 Y1338E1332-S1334 PolarHBondContact O-N 2.91Å; S1334-E1336 PolarHBondContact O-N 2.72Å; S1334-E1336 VanDerWaalsContact O-N 3.09Å; S1334-D1337 WeakPolarHBondContact CB-OD2 3.24Å; S1334-D1337 PolarHBondContact N-OD2 3.28Å; S1334-D1337 VanDerWaalsContact N-OD2 3.11Å; S1334-D1337 WeakPolarHBondContact O-CA 3.4Å; S1334-D1337 WeakPolarHBondContact O-CB 3.4Å; S1334-D1337 PolarHBondContact O-N 3.48Å; S1334-D1337 PolarHBondContact OG-N 3.5Å; S1334-D1337 PolarHBondContact OG-OD2 2.82Å; S1334-Y1338 VanDerWaalsContact O-CD2 3.25Å; S1334-Y1338 WeakPolarHBondContact O-CD2 3.36Å; S1334-Y1338 PolarHBondContact O-N 2.78Å
1335D57.3Low56.4Low136 Ų13697.9 Ų97.973%0.72751%0.513SS*.Hα-helixtrans-52.6-32.4173.6-80.2-30.4000112.1L1339D1335-L1339 WeakPolarHBondContact O-CB 3.44Å; D1335-L1339 PolarHBondContact O-N 2.85Å
1336E57.6Low54.7Low134 Ų13492.3 Ų92.363%0.62651%0.511SS*.Hα-helixtrans-71.5-32.1175.6-170.7148.3-126.800112.8S1334 L1339 K1340S1334-E1336 PolarHBondContact O-N 2.72Å; S1334-E1336 VanDerWaalsContact O-N 3.09Å; E1336-L1339 PolarHBondContact O-N 3.09Å; E1336-K1340 WeakPolarHBondContact O-CG 3.41Å; E1336-K1340 PolarHBondContact O-N 3.11Å
1337D61.8Low53Low52 Ų5293.7 Ų93.728%0.27852%0.521SS..Hα-helixtrans-75-35.9174.5-58.8-41.9000111.4F1333 S1334 L1339 K1340 I1341F1333-D1337 HydrophobicContact CB-CB 3.88Å; F1333-D1337 HydrophobicContact CD2-CB 4.44Å; F1333-D1337 HydrophobicContact CG-CB 4.15Å; S1334-D1337 WeakPolarHBondContact CB-OD2 3.24Å; S1334-D1337 PolarHBondContact N-OD2 3.28Å; S1334-D1337 VanDerWaalsContact N-OD2 3.11Å; S1334-D1337 WeakPolarHBondContact O-CA 3.4Å; S1334-D1337 WeakPolarHBondContact O-CB 3.4Å; S1334-D1337 PolarHBondContact O-N 3.48Å; S1334-D1337 PolarHBondContact OG-N 3.5Å; S1334-D1337 PolarHBondContact OG-OD2 2.82Å; D1337-L1339 VanDerWaalsContact C-N 3.32Å; D1337-L1339 PolarHBondContact O-N 2.68Å; D1337-K1340 PolarHBondContact O-N 3.23Å; D1337-K1340 IonicContact OD1-NZ 3.42Å; D1337-K1340 PolarHBondContact OD1-NZ 2.79Å; D1337-I1341 WeakPolarHBondContact O-CD1 3.25Å; D1337-I1341 WeakPolarHBondContact O-CG1 3.04Å; D1337-I1341 PolarHBondContact O-N 3.14Å
1338Y57.5Low51.2Low57 Ų5799.7 Ų99.722%0.22455%0.552CS.*Hα-helixtrans-61.1-42168.7-70.7-69.7000111.8R1325 G1328 S1329 F1333 S1334 I1341 G1342R1325-Y1338 HydrophobicContact CG-CE1 4.18Å; G1328-Y1338 PolarHBondContact O-OH 2.97Å; S1329-Y1338 VanDerWaalsContact CA-OH 3.24Å; S1329-Y1338 WeakPolarHBondContact CA-OH 3.38Å; S1329-Y1338 PolarHBondContact N-OH 3.4Å; S1329-Y1338 PolarHBondContact OG-OH 2.84Å; S1329-Y1338 VanDerWaalsContact OG-OH 3.09Å; F1333-Y1338 HydrophobicContact CB-CE1 4.48Å; F1333-Y1338 HydrophobicContact CB-CE2 4.23Å; F1333-Y1338 WeakPolarHBondContact O-CE2 3.44Å; S1334-Y1338 VanDerWaalsContact O-CD2 3.25Å; S1334-Y1338 WeakPolarHBondContact O-CD2 3.36Å; S1334-Y1338 PolarHBondContact O-N 2.78Å; Y1338-I1341 PolarHBondContact O-N 3.38Å; Y1338-G1342 PolarHBondContact O-N 3.33Å
1339L51Low49.7Very low134 Ų134105.2 Ų105.270%0.70259%0.588SS**Hα-helixtrans-64.2-38.1177.2-93.1153.8000112.8D1335 E1336 D1337 I1341D1335-L1339 WeakPolarHBondContact O-CB 3.44Å; D1335-L1339 PolarHBondContact O-N 2.85Å; E1336-L1339 PolarHBondContact O-N 3.09Å; D1337-L1339 VanDerWaalsContact C-N 3.32Å; D1337-L1339 PolarHBondContact O-N 2.68Å; L1339-I1341 PolarHBondContact O-N 3.26Å
1340K58.7Low48.5Very low146 Ų146110.3 Ų110.364%0.63560%0.6SS**Hα-helixtrans-65.5-24.7175-75.4168.1-163.2159.40113E1336 D1337E1336-K1340 WeakPolarHBondContact O-CG 3.41Å; E1336-K1340 PolarHBondContact O-N 3.11Å; D1337-K1340 PolarHBondContact O-N 3.23Å; D1337-K1340 IonicContact OD1-NZ 3.42Å; D1337-K1340 PolarHBondContact OD1-NZ 2.79Å
1341I57.1Low47.3Very low75 Ų75113.8 Ų113.839%0.38562%0.618SS.*Hα-helixtrans-109-16.7-170.8-51.4162.9000112.2I1324 F1333 D1337 Y1338 L1339I1324-I1341 HydrophobicContact CB-CG2 4.47Å; I1324-I1341 HydrophobicContact CD1-CG2 3.46Å; I1324-I1341 VanDerWaalsContact CD1-CG2 3.46Å; I1324-I1341 HydrophobicContact CG1-CG2 4.03Å; I1324-I1341 HydrophobicContact CG2-CB 4.25Å; I1324-I1341 HydrophobicContact CG2-CG2 3.68Å; F1333-I1341 HydrophobicContact CD2-CD1 3.76Å; F1333-I1341 HydrophobicContact CE2-CD1 3.58Å; D1337-I1341 WeakPolarHBondContact O-CD1 3.25Å; D1337-I1341 WeakPolarHBondContact O-CG1 3.04Å; D1337-I1341 PolarHBondContact O-N 3.14Å; Y1338-I1341 PolarHBondContact O-N 3.38Å; L1339-I1341 PolarHBondContact O-N 3.26Å
1342G51.3Low46Very low44 Ų44116.3 Ų116.345%0.45463%0.629SS.*SBendtrans-117.4108.9179.800000113.8Y1338 E1344Y1338-G1342 PolarHBondContact O-N 3.33Å; G1342-E1344 PolarHBondContact O-N 2.69Å
1343N35.4Very low44.7Very low138 Ų138117.6 Ų117.674%0.73863%0.632SS**  trans-47.4126.5176.8-91.537.7000115
1344E29.1Very low43.8Very low163 Ų163124 Ų12476%0.76266%0.655SS**  trans43.1117.6143.573.9-142.4146.900121.7G1342G1342-E1344 PolarHBondContact O-N 2.69Å
1345S31.7Very low42.8Very low131 Ų131123.8 Ų123.892%0.91665%0.651SS**  trans98.5112.6147.6-147.10000118.7
1346G31.6Very low42Very low62 Ų62126.5 Ų126.564%0.63965%0.651SS**  trans98.787130.800000118.8
1347T29.6Very low41Very low132 Ų132125.1 Ų125.181%0.8165%0.652SS**  trans37119.6135.8510000119.9
1348L27.8Very low39.6Very low151 Ų151127.3 Ų127.379%0.79167%0.668SS**  -173.3121.4115.7-98.9174.1000112.2
1349P35.4Very low38.5Very low115 Ų115130.4 Ų130.475%0.74769%0.692SS**  trans-87.5109.9172.130.8-26.7000111.1
1350K39.3Very low37.8Very low186 Ų186128.1 Ų128.181%0.80969%0.687SS**  trans-137-10.1169.8-96.6-178.6179.2175.30115.8
1351L39.3Very low36.4Very low162 Ų162129.1 Ų129.185%0.84870%0.7SS**G310 helixtrans-81.2-15.7-179.9-149101.1000113.8K1353L1351-K1353 PolarHBondContact O-N 3Å; L1351-K1353 VanDerWaalsContact O-N 3.15Å
1352M37Very low35Very low144 Ų144133.4 Ų133.471%0.70972%0.722SS**G310 helixtrans-77.45.3-174-121.4-97.9-137.800115
1353K33.5Very low34Very low185 Ų185136.7 Ų136.780%0.80474%0.736SS**G310 helixtrans-110.9-12.7179.2-91.9-173.5175.1-178.10115.8L1351L1351-K1353 PolarHBondContact O-N 3Å; L1351-K1353 VanDerWaalsContact O-N 3.15Å
1354W37.8Very low33.6Very low202 Ų202136 Ų13677%0.76574%0.742SS**THydrogen-bonded Turntrans-82-33.4-179.6-172.449.3000113.3R1356W1354-R1356 VanDerWaalsContact C-N 3.33Å; W1354-R1356 PolarHBondContact O-N 2.86Å
1355V39.7Very low33.3Very low51 Ų51131.5 Ų131.531%0.30974%0.739SS.*THydrogen-bonded Turntrans-78.4-11.8-172.5169.30000114.1S1373 S1374V1355-S1373 WeakPolarHBondContact CA-OG 3.42Å; V1355-S1373 WeakPolarHBondContact CG1-OG 3.45Å; V1355-S1374 VanDerWaalsContact CG1-CB 3.42Å
1356R40.7Very low33Very low193 Ų193131.2 Ų131.273%0.72873%0.734SS**THydrogen-bonded Turntrans-92.35-174.5-90.6-161.2-82.3-156.8-6.2116.8W1354W1354-R1356 VanDerWaalsContact C-N 3.33Å; W1354-R1356 PolarHBondContact O-N 2.86Å
1357T35.7Very low33.1Very low105 Ų105133.6 Ų133.664%0.64474%0.738SS**SBendtrans-122.915.4-17640.80000116.6
1358T32.1Very low32.8Very low98 Ų98136.7 Ų136.760%0.60174%0.74SS**SBendtrans-130.920.7-179.953.40000116.5
1359V34.9Very low32.8Very low122 Ų122136.4 Ų136.474%0.73974%0.74SS**SBendtrans-125.131.9168.1-159.40000112.2
1360S35.3Very low32.4Very low86 Ų86136.7 Ų136.760%0.60174%0.739SS**  trans-121.386.3167.960.30000109.7
1361N29.7Very low31.7Very low167 Ų167134.8 Ų134.889%0.89374%0.737SS**  trans170.7121.6132.6-80.7-9.8000111.1
1362L27.4Very low31.1Very low165 Ų165132.4 Ų132.486%0.86473%0.725SS**  trans-47.2-176.5162.8-145.969.4000112.8
1363P31.1Very low30.6Very low112 Ų112127.3 Ų127.373%0.72770%0.703SS**  -118.8178-52.620.91.3000113.8
1364S26.5Very low30.5Very low124 Ų124122.7 Ų122.787%0.86769%0.694SS**  trans102.6108.4152.3-148.70000118.3
1365G22.8Very low30.2Very low68 Ų68119.4 Ų119.470%0.70169%0.691SS**  trans84.5153.8141.400000117.2
1366P26.7Very low29.9Very low126 Ų126121.2 Ų121.282%0.81870%0.7SS**  trans-85.2-177.3-155.742.1-40.6000112.8
1367P32.1Very low29.9Very low112 Ų112118.3 Ų118.373%0.72770%0.698SS**  -134.2118.3-69.535.2-17.1000111.5
1368K25.1Very low30Very low196 Ų196119.4 Ų119.485%0.85270%0.7SS**  trans-153.7136.7165.3-67.4-172.1179.5167.60110
1369D26.7Very low30.4Very low146 Ų146119.4 Ų119.478%0.78169%0.692SS**  trans68.2106.6163.3-53.7-27.6000117.8
1370V28Very low31.1Very low120 Ų120117.8 Ų117.873%0.72768%0.682SS**  83.2105.570.3170.20000112.3
1371L22.8Very low31.7Very low147 Ų147118.5 Ų118.577%0.7768%0.675SS**  trans74.2144.2158.8-49173.1000118.6
1372L27.9Very low32.9Very low112 Ų112114.1 Ų114.159%0.58665%0.654SS**  cis179.8125.2-7.7-98.1168.2000103.2
1373S25.8Very low34.5Very low37 Ų37111.1 Ų111.126%0.25964%0.636SS.*  trans-169.1103.2152.9-89.40000113.6V1355V1355-S1373 WeakPolarHBondContact CA-OG 3.42Å; V1355-S1373 WeakPolarHBondContact CG1-OG 3.45Å
1374S31.1Very low35.7Very low88 Ų88111 Ų11162%0.61563%0.628SS**SBendtrans86.97.9137.6-134.20000124.3V1355V1355-S1374 VanDerWaalsContact CG1-CB 3.42Å
1375N31.6Very low37.5Very low132 Ų132108.4 Ų108.471%0.70660%0.604SS**  trans-120.526.1166.1-155.642.9000114.3
1376N33.4Very low39.4Very low90 Ų90109.8 Ų109.848%0.48160%0.595SS.*  trans-102.724.7174.4-70.9-10.2000112.3D1378 K1379N1376-D1378 PolarHBondContact O-N 3.39Å; N1376-K1379 HydrophobicContact CB-CD 4.19Å; N1376-K1379 HydrophobicContact CB-CG 4.13Å; N1376-K1379 VanDerWaalsContact CG-CE 3.44Å; N1376-K1379 WeakPolarHBondContact OD1-CE 3.38Å
1377N41.1Very low41.1Very low132 Ų132106.2 Ų106.271%0.70658%0.576SS**THydrogen-bonded Turntrans-72-5.6169.6-72.63.6000112.2
1378D38.5Very low42.8Very low127 Ų127106.7 Ų106.768%0.67957%0.567SS**THydrogen-bonded Turntrans-108.26.6-178.3-56.8-14.4000113.5N1376 T1380N1376-D1378 PolarHBondContact O-N 3.39Å; D1378-T1380 PolarHBondContact O-N 3.49Å
1379K40.4Very low44.6Very low99 Ų99101 Ų10143%0.4355%0.546SS..  trans-75.692.6173.7-61.2-162173.1-172.70109N1376 E1383 L1384N1376-K1379 HydrophobicContact CB-CD 4.19Å; N1376-K1379 HydrophobicContact CB-CG 4.13Å; N1376-K1379 VanDerWaalsContact CG-CE 3.44Å; N1376-K1379 WeakPolarHBondContact OD1-CE 3.38Å; K1379-E1383 HydrophobicContact CB-CB 4.39Å; K1379-E1383 WeakPolarHBondContact CG-OE2 3.45Å; K1379-L1384 HydrophobicContact CB-CD1 4.26Å; K1379-L1384 HydrophobicContact CD-CD1 4.4Å
1380T48.6Very low46.1Very low87 Ų87100.9 Ų100.953%0.53454%0.54SS..  trans-49.4147.2172.961.30000110.1D1378 T1382 E1383 L1384D1378-T1380 PolarHBondContact O-N 3.49Å; T1380-T1382 PolarHBondContact O-N 3.24Å; T1380-E1383 WeakPolarHBondContact O-CB 3.36Å; T1380-E1383 PolarHBondContact O-N 3.02Å; T1380-L1384 PolarHBondContact O-N 2.73Å
1381F48.4Very low47.6Very low101 Ų101102.9 Ų102.944%0.44354%0.542SS..Hα-helixtrans-46.3-33.2177.8171.6-99.7000112.7L1304 L1384 L1385L1304-F1381 HydrophobicContact CD1-CE1 4.06Å; L1304-F1381 HydrophobicContact CD1-CZ 4.44Å; F1381-L1384 PolarHBondContact O-N 3.04Å; F1381-L1385 HydrophobicContact CE1-CD2 4.21Å; F1381-L1385 VanDerWaalsContact O-CB 3.24Å; F1381-L1385 WeakPolarHBondContact O-CB 3.34Å; F1381-L1385 PolarHBondContact O-N 3.39Å
1382T56Low49.4Very low75 Ų75102.5 Ų102.546%0.4654%0.536SS..Hα-helixtrans-62.6-38.6174.7-40.50000113.4T1380 L1385 L1386T1380-T1382 PolarHBondContact O-N 3.24Å; T1382-L1385 PolarHBondContact O-N 3.22Å; T1382-L1386 HydrophobicContact CG2-CD1 4.27Å; T1382-L1386 WeakPolarHBondContact O-CB 3.19Å; T1382-L1386 WeakPolarHBondContact O-CG 3.43Å; T1382-L1386 PolarHBondContact O-N 3.13Å
1383E59.6Low50.6Low102 Ų102101.2 Ų101.248%0.47754%0.537SS..Hα-helixtrans-70-37.8174.5-105.9-170.8-179.200112.1K1379 T1380 L1385 L1386 A1387K1379-E1383 HydrophobicContact CB-CB 4.39Å; K1379-E1383 WeakPolarHBondContact CG-OE2 3.45Å; T1380-E1383 WeakPolarHBondContact O-CB 3.36Å; T1380-E1383 PolarHBondContact O-N 3.02Å; E1383-L1385 VanDerWaalsContact C-N 3.35Å; E1383-L1386 PolarHBondContact O-N 3.27Å; E1383-A1387 VanDerWaalsContact O-CB 3.3Å; E1383-A1387 WeakPolarHBondContact O-CB 3.43Å; E1383-A1387 PolarHBondContact O-N 3.36Å
1384L56.3Low51.2Low110 Ų110103.2 Ų103.258%0.57655%0.55SS**Hα-helixtrans-68.3-37.5173.7-124.877.1000111.4K1379 T1380 F1381 A1387 F1388K1379-L1384 HydrophobicContact CB-CD1 4.26Å; K1379-L1384 HydrophobicContact CD-CD1 4.4Å; T1380-L1384 PolarHBondContact O-N 2.73Å; F1381-L1384 PolarHBondContact O-N 3.04Å; L1384-A1387 PolarHBondContact O-N 2.96Å; L1384-F1388 WeakPolarHBondContact O-CB 3.28Å; L1384-F1388 PolarHBondContact O-N 2.81Å
1385L64.2Low51.9Low69 Ų69104.7 Ų104.736%0.36156%0.558SS.*Hα-helixtrans-70-39.3174.7-175.669000111.2F1381 T1382 E1383 F1388 L1389F1381-L1385 HydrophobicContact CE1-CD2 4.21Å; F1381-L1385 VanDerWaalsContact O-CB 3.24Å; F1381-L1385 WeakPolarHBondContact O-CB 3.34Å; F1381-L1385 PolarHBondContact O-N 3.39Å; T1382-L1385 PolarHBondContact O-N 3.22Å; E1383-L1385 VanDerWaalsContact C-N 3.35Å; L1385-F1388 PolarHBondContact O-N 3.47Å; L1385-L1389 HydrophobicContact CD1-CD1 4.47Å; L1385-L1389 HydrophobicContact CD2-CD1 4.47Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 HydrophobicContact CG-CG 4.4Å; L1385-L1389 VanDerWaalsContact O-CB 3.22Å; L1385-L1389 WeakPolarHBondContact O-CB 3.42Å; L1385-L1389 WeakPolarHBondContact O-CG 3.27Å; L1385-L1389 PolarHBondContact O-N 3.05Å
1386L62.5Low52Low98 Ų98110.1 Ų110.151%0.51357%0.568SS.*Hα-helixtrans-65.7-40173.3-80.6166.3000110.7T1382 E1383 L1389 E1390T1382-L1386 HydrophobicContact CG2-CD1 4.27Å; T1382-L1386 WeakPolarHBondContact O-CB 3.19Å; T1382-L1386 WeakPolarHBondContact O-CG 3.43Å; T1382-L1386 PolarHBondContact O-N 3.13Å; E1383-L1386 PolarHBondContact O-N 3.27Å; L1386-L1389 CarbonylContact O-C 3.52Å; L1386-L1389 PolarHBondContact O-N 3.43Å; L1386-E1390 VanDerWaalsContact O-CB 3.29Å; L1386-E1390 WeakPolarHBondContact O-CB 3.4Å; L1386-E1390 PolarHBondContact O-N 2.88Å
1387A62.6Low52.2Low50 Ų50110.6 Ų110.641%0.41358%0.579SS.*Hα-helixtrans-65.9-40.8172.900000111.7E1383 L1384 E1390 E1391E1383-A1387 VanDerWaalsContact O-CB 3.3Å; E1383-A1387 WeakPolarHBondContact O-CB 3.43Å; E1383-A1387 PolarHBondContact O-N 3.36Å; L1384-A1387 PolarHBondContact O-N 2.96Å; A1387-E1390 PolarHBondContact O-N 3.21Å; A1387-E1391 WeakPolarHBondContact O-CB 3.2Å; A1387-E1391 PolarHBondContact O-N 3.29Å
1388F68.6Low51.7Low123 Ų123110.1 Ų110.154%0.53958%0.581SS.*Hα-helixtrans-65.2-41.3173.7177.5-94000111.9L1384 L1385 E1391 E1392L1384-F1388 WeakPolarHBondContact O-CB 3.28Å; L1384-F1388 PolarHBondContact O-N 2.81Å; L1385-F1388 PolarHBondContact O-N 3.47Å; F1388-E1391 PolarHBondContact O-N 3.36Å; F1388-E1392 HydrophobicContact CE1-CB 4.44Å; F1388-E1392 WeakPolarHBondContact O-CB 3.47Å; F1388-E1392 PolarHBondContact O-N 3.42Å
1389L61.6Low51.5Low77 Ų77111.5 Ų111.540%0.40359%0.587SS.*Hα-helixtrans-71.8-34176-74.2168.3000111.2L1385 L1386 S1393L1385-L1389 HydrophobicContact CD1-CD1 4.47Å; L1385-L1389 HydrophobicContact CD2-CD1 4.47Å; L1385-L1389 HydrophobicContact CG-CD1 3.95Å; L1385-L1389 HydrophobicContact CG-CG 4.4Å; L1385-L1389 VanDerWaalsContact O-CB 3.22Å; L1385-L1389 WeakPolarHBondContact O-CB 3.42Å; L1385-L1389 WeakPolarHBondContact O-CG 3.27Å; L1385-L1389 PolarHBondContact O-N 3.05Å; L1386-L1389 CarbonylContact O-C 3.52Å; L1386-L1389 PolarHBondContact O-N 3.43Å; L1389-S1393 VanDerWaalsContact O-CA 3.3Å; L1389-S1393 WeakPolarHBondContact O-CA 3.33Å; L1389-S1393 WeakPolarHBondContact O-CB 2.98Å; L1389-S1393 PolarHBondContact O-N 3.31Å; L1389-S1393 PolarHBondContact O-OG 3.45Å
1390E60Low51Low143 Ų143116 Ų11667%0.66861%0.606SS**Hα-helixtrans-64.9-44.1170.2-99.2-177146.600110.2L1386 A1387 S1394L1386-E1390 VanDerWaalsContact O-CB 3.29Å; L1386-E1390 WeakPolarHBondContact O-CB 3.4Å; L1386-E1390 PolarHBondContact O-N 2.88Å; A1387-E1390 PolarHBondContact O-N 3.21Å; E1390-S1394 PolarHBondContact O-N 3.11Å; E1390-S1394 VanDerWaalsContact O-N 3.15Å; E1390-S1394 PolarHBondContact O-OG 3.38Å
1391E58.1Low50.2Low161 Ų161119.2 Ų119.275%0.75262%0.619SS**Hα-helixtrans-64.5-39176.6-168.180.4-157.400111.5A1387 F1388A1387-E1391 WeakPolarHBondContact O-CB 3.2Å; A1387-E1391 PolarHBondContact O-N 3.29Å; F1388-E1391 PolarHBondContact O-N 3.36Å
1392E60.1Low49.5Very low139 Ų139119.5 Ų119.565%0.6563%0.631SS**Hα-helixtrans-90.6-30.2-178.2-147.4-151.4-16800114.1F1388 S1394F1388-E1392 HydrophobicContact CE1-CB 4.44Å; F1388-E1392 WeakPolarHBondContact O-CB 3.47Å; F1388-E1392 PolarHBondContact O-N 3.42Å; E1392-S1394 VanDerWaalsContact C-N 3.29Å
1393S54.9Low48.1Very low86 Ų86122.1 Ų122.160%0.60164%0.64SS**Hα-helixtrans-85.6-2.4177.275.70000113.2L1389 P1395L1389-S1393 VanDerWaalsContact O-CA 3.3Å; L1389-S1393 WeakPolarHBondContact O-CA 3.33Å; L1389-S1393 WeakPolarHBondContact O-CB 2.98Å; L1389-S1393 PolarHBondContact O-N 3.31Å; L1389-S1393 PolarHBondContact O-OG 3.45Å; S1393-P1395 WeakPolarHBondContact O-CD 3.35Å
1394S38.1Very low46.6Very low78 Ų78124.5 Ų124.555%0.54566%0.656SS.*SBendtrans-53.5103.9159.5-70.10000108.5E1390 E1392 R1396E1390-S1394 PolarHBondContact O-N 3.11Å; E1390-S1394 VanDerWaalsContact O-N 3.15Å; E1390-S1394 PolarHBondContact O-OG 3.38Å; E1392-S1394 VanDerWaalsContact C-N 3.29Å; S1394-R1396 PolarHBondContact O-N 3.41Å; S1394-R1396 VanDerWaalsContact O-N 3.14Å
1395P44.9Very low45.4Very low119 Ų119127.5 Ų127.577%0.77366%0.66SS**  trans-65.9122.1-160.122.8-30.9000110S1393 S1397S1393-P1395 WeakPolarHBondContact O-CD 3.35Å; P1395-S1397 PolarHBondContact O-N 3.4Å
1396R33.6Very low43.8Very low247 Ų247135.2 Ų135.293%0.93269%0.687SS**  trans-46.3107.4158.6-110.4177.4175.4-138.30.7107.8S1394S1394-R1396 PolarHBondContact O-N 3.41Å; S1394-R1396 VanDerWaalsContact O-N 3.14Å
1397S38.8Very low42.3Very low99 Ų99137 Ų13769%0.69270%0.701SS**SBendtrans-52.1146.5176.455.10000111.4P1395P1395-S1397 PolarHBondContact O-N 3.4Å
1398T30.6Very low40.8Very low122 Ų122140.4 Ų140.475%0.74872%0.72SS**  trans88.580.1164.868.70000118.3
1399I34.3Very low38.9Very low157 Ų157141.9 Ų141.981%0.80573%0.733SS**  trans-124.399.1137.9-62.7179000107.1L1401I1399-L1401 HydrophobicContact CG2-CD1 4.03Å; I1399-L1401 HydrophobicContact CG2-CG 4.37Å; I1399-L1401 PolarHBondContact O-N 3.08Å
1400K28.3Very low37.5Very low194 Ų194145.6 Ų145.684%0.84375%0.75SS**  trans-71.9115.7166.2-76.6-177.7172.8-1780107.6
1401L33.1Very low36.1Very low154 Ų154146 Ų14681%0.80676%0.762SS**  trans-108.3102.9160.3-86.7141.2000107.2I1399I1399-L1401 HydrophobicContact CG2-CD1 4.03Å; I1399-L1401 HydrophobicContact CG2-CG 4.37Å; I1399-L1401 PolarHBondContact O-N 3.08Å
1402P33Very low34.7Very low106 Ų106142.3 Ų142.369%0.68875%0.754SS**  trans-69.4136.5164.5-10.327000108.7
1403M26.6Very low33.1Very low131 Ų131140.9 Ų140.965%0.64576%0.759SS**  168.5109.4108.7-153.168.2-167.200110Y1405M1403-Y1405 HydrophobicContact CB-CD2 4.44Å; M1403-Y1405 HydrophobicContact CE-CD2 4.2Å; M1403-Y1405 HydrophobicContact CE-CE1 4.42Å; M1403-Y1405 HydrophobicContact CE-CE2 3.26Å; M1403-Y1405 WeakPolarHBondContact CE-OH 3.45Å; M1403-Y1405 HydrophobicContact CG-CD2 3.42Å; M1403-Y1405 VanDerWaalsContact CG-CD2 3.42Å; M1403-Y1405 HydrophobicContact CG-CE2 3.32Å; M1403-Y1405 PolarHBondContact O-N 3.27Å; M1403-Y1405 HydrophobicContact SD-CE2 4.09Å
1404D28.9Very low31.9Very low152 Ų152143 Ų14381%0.81377%0.769SS**  trans-59.1120.4156.1-59.9-60.8000109.5
1405Y31.3Very low31.4Very low172 Ų172145.8 Ų145.868%0.67578%0.778SS**  trans-156.979.7152.5-77.4-64.5000108.3M1403M1403-Y1405 HydrophobicContact CB-CD2 4.44Å; M1403-Y1405 HydrophobicContact CE-CD2 4.2Å; M1403-Y1405 HydrophobicContact CE-CE1 4.42Å; M1403-Y1405 HydrophobicContact CE-CE2 3.26Å; M1403-Y1405 WeakPolarHBondContact CE-OH 3.45Å; M1403-Y1405 HydrophobicContact CG-CD2 3.42Å; M1403-Y1405 VanDerWaalsContact CG-CD2 3.42Å; M1403-Y1405 HydrophobicContact CG-CE2 3.32Å; M1403-Y1405 PolarHBondContact O-N 3.27Å; M1403-Y1405 HydrophobicContact SD-CE2 4.09Å
1406Y30.5Very low30.6Very low232 Ų232147 Ų14791%0.9178%0.778SS**  trans-159.171.2141.1-86-64000108.5
1407T30.9Very low30.3Very low134 Ų134140.7 Ų140.782%0.82277%0.771SS**  trans-104.5111.8152.747.10000107.7
1408P30.8Very low29.6Very low123 Ų123146.3 Ų146.380%0.79978%0.777SS**  trans-99.997.1156.120.1-1.5000107.5
1409D27.9Very low29.4Very low153 Ų153148.4 Ų148.482%0.81878%0.776SS**  trans-81.7157.1156.2-123.6-21.2000108.5
1410M32.9Very low28.9Very low155 Ų155149 Ų14976%0.76478%0.775SS**  trans93.580.8167-46.3-147.47600118.6
1411V30.4Very low28.6Very low153 Ų153144.9 Ų144.993%0.92777%0.766SS**  -124.7105.2126-173.10000107.9
1412S28Very low28.4Very low83 Ų83144.5 Ų144.558%0.5877%0.765SS**  trans-84.8149.3167.441.60000111.2
1413S27.1Very low28.2Very low108 Ų108145.3 Ų145.376%0.75577%0.768SS**  trans89.3104.8160.2-53.40000117.5
1414T31.1Very low28Very low131 Ų131144.2 Ų144.280%0.80477%0.772SS**  176.1128.588.1-57.90000111.6
1415N26.9Very low27.9Very low136 Ų136144.4 Ų144.473%0.72777%0.773SS**  trans-10.2140.5162.3-68.6-21.7000123.2
1416N28.3Very low27.8Very low145 Ų145141.5 Ų141.578%0.77577%0.774SS**  90.2126.3128.5-75-10.1000122.8
1417S27.8Very low27.6Very low114 Ų114138.3 Ų138.380%0.79777%0.767SS**  trans88.199.1148.1-58.30000118.2
1418R23.9Very low27.3Very low218 Ų218139.4 Ų139.482%0.82377%0.768SS**  154127.9105-178.2169.2-100.4178.2-4.4112.7
1419K25.2Very low27Very low165 Ų165140.7 Ų140.772%0.71776%0.763SS**  trans72.5103.7159.1-74.1171.1-174.9-170.10116.4
1420Q23.4Very low26.9Very low169 Ų169143.5 Ų143.579%0.7977%0.768SS**  94.712479.8-97.2-169500111.8
1421V23.8Very low26.6Very low109 Ų109144.5 Ų144.566%0.66177%0.765SS**  trans73.3102.4136-1800000116.5
1422N27.3Very low26.6Very low145 Ų145142.3 Ų142.378%0.77575%0.753SS**  175.2154.3114.9-99.1-21.9000114.6
1423T29.2Very low26.4Very low123 Ų123145 Ų14576%0.75577%0.766SS**  trans75.483.5164.165.30000119.3
1424C23Very low26.5Very low108 Ų108144.6 Ų144.673%0.7376%0.763SS**  trans-58132.7139.6-175.40000110.5
1425N26.3Very low26.2Very low157 Ų157147.9 Ų147.984%0.8477%0.767SS**  trans-107.499.5159.4-81-13.7000107.2
1426T29.3Very low26.3Very low111 Ų111149.1 Ų149.168%0.68177%0.771SS**  trans-67.7120.9167.5-23.30000107.6
1427E25.3Very low26.2Very low165 Ų165149.5 Ų149.577%0.77177%0.772SS**  4998.180.2-66-174.9-179.700111
1428D24.9Very low26.3Very low157 Ų157150.6 Ų150.684%0.8477%0.774SS**  73.1140.492.1-89.7-32.3000114.1
1429E25.9Very low26.5Very low149 Ų149143.4 Ų143.470%0.69677%0.768SS**  trans82.397.3164.2-56.5-125.3148.200119.2Y1431E1429-Y1431 WeakPolarHBondContact OE1-CE2 2.96Å; E1429-Y1431 VanDerWaalsContact OE2-CE2 3.31Å; E1429-Y1431 WeakPolarHBondContact OE2-CE2 3.48Å
1430K25.7Very low26.6Very low212 Ų212140.9 Ų140.992%0.92277%0.771SS**  trans-137.1108.9130.7-163.6165.7-175.4172.90111.2
1431Y26.3Very low26.9Very low176 Ų176138.7 Ų138.769%0.6977%0.769SS**  trans-55.9153.7167.4-84.6-96.8000113.2E1429E1429-Y1431 WeakPolarHBondContact OE1-CE2 2.96Å; E1429-Y1431 VanDerWaalsContact OE2-CE2 3.31Å; E1429-Y1431 WeakPolarHBondContact OE2-CE2 3.48Å
1432P30.2Very low27Very low107 Ų107139.5 Ų139.570%0.69578%0.78SS**  trans-88.3-179.5170.137.2-31.9000111.6
1433V23.8Very low27Very low139 Ų139140.2 Ų140.284%0.84278%0.783SS**  trans94.4124.5176.1-170.60000111.3
1434S28.5Very low26.9Very low100 Ų100138.9 Ų138.970%0.69978%0.779SS**  cis-158.5146.731.928.80000111.9
1435K24.9Very low27Very low201 Ų201140.6 Ų140.687%0.87478%0.781SS**  trans-51.8132.1157.5-69.6162.6169.6173.40111
1436I28.6Very low27.5Very low161 Ų161139.2 Ų139.283%0.82678%0.78SS**  trans-123.9126.3145.3-64-179.2000108.3T1438I1436-T1438 PolarHBondContact O-N 2.99Å
1437I27.9Very low27.6Very low154 Ų154140 Ų14079%0.7979%0.787SS**  trans-55.7116.1-175.7-68.8156.5000110.8G1439I1437-G1439 PolarHBondContact O-N 2.98Å
1438T29.9Very low27.7Very low136 Ų136141.3 Ų141.383%0.83479%0.79SS**  trans-74.598.3159.8480000108I1436 S1440I1436-T1438 PolarHBondContact O-N 2.99Å; T1438-S1440 PolarHBondContact O-N 3.44Å
1439G27.7Very low27.8Very low68 Ų68138.4 Ų138.470%0.70178%0.782SS**  trans-71.4106.1168.500000109.8I1437I1437-G1439 PolarHBondContact O-N 2.98Å
1440S26.7Very low28Very low112 Ų112137.5 Ų137.578%0.78378%0.782SS**  trans-71117167.5440000110.6T1438T1438-S1440 PolarHBondContact O-N 3.44Å
1441T28.9Very low28.3Very low123 Ų123134 Ų13476%0.75577%0.773SS**  trans-144.699.6153.439.90000109.4L1443T1441-L1443 PolarHBondContact O-N 3.46Å
1442S25.9Very low28.6Very low126 Ų126132.2 Ų132.288%0.88178%0.776SS**  trans-56.5119.7153.4-57.50000108.8
1443L27.9Very low28.5Very low159 Ų159132.3 Ų132.383%0.83278%0.779SS**  trans-128.5107.4155-101.9102.7000108.7T1441T1441-L1443 PolarHBondContact O-N 3.46Å
1444S26.3Very low28.9Very low96 Ų96133 Ų13367%0.67178%0.778SS**  trans-66.5142.5168.658.10000111.6
1445N26.3Very low29.1Very low144 Ų144135 Ų13577%0.7778%0.78SS**  trans65.3106.8147-59.4-18.8000118.7
1446P35.9Very low29.5Very low128 Ų128129.9 Ų129.983%0.83177%0.77SS**  trans-76.4133.4152.326.6-19.8000110.2
1447P32Very low29.8Very low126 Ų126129.7 Ų129.782%0.81877%0.77SS**  trans-84.8158.5177.934.2-32.6000112.6
1448K26.8Very low30.2Very low194 Ų194130.2 Ų130.284%0.84377%0.769SS**  trans-37.6160.8169.1-74.9168.9168.5171.10117.2
1449S27.2Very low30.3Very low96 Ų96132.9 Ų132.967%0.67177%0.769SS**  trans81.1125.4145.5860000113
1450D30.2Very low30.8Very low130 Ų130134.6 Ų134.670%0.69577%0.768SS**  178.3159.950.3-94.2-46.8000109
1451N31.3Very low31.2Very low138 Ų138139.8 Ų139.874%0.73877%0.772SS**  trans91.3127.9150.9-61.5-20.9000121.3
1452D33.7Very low31.4Very low139 Ų139143.5 Ų143.574%0.74378%0.778SS**  trans88.276.8151.2-55.9-21.4000118.5N1454D1452-N1454 PolarHBondContact O-N 3.43Å
1453S28.6Very low31.9Very low109 Ų109147.7 Ų147.776%0.76278%0.776SS**  trans-35.9114133.148.10000112.7
1454N32.7Very low32.3Very low153 Ų153149 Ų14982%0.81878%0.78SS**  trans-162.4142.1142.7-105.5-41.4000112.2D1452D1452-N1454 PolarHBondContact O-N 3.43Å
1455L31.9Very low32.8Very low143 Ų143155.8 Ų155.875%0.74981%0.808SS**  trans73.287.8164.1-105.164.9000118.5D1457L1455-D1457 PolarHBondContact O-N 3.33Å; L1455-D1457 VanDerWaalsContact O-N 3.11Å
1456S32.9Very low33.1Very low93 Ų93156.4 Ų156.465%0.6581%0.809SS**  trans-47100.3140.6-1770000111H1458S1456-H1458 PolarHBondContact O-N 2.98Å; S1456-H1458 PolarHBondContact OG-CD2 2.91Å; S1456-H1458 VanDerWaalsContact OG-CD2 3.3Å
1457D35.7Very low33Very low156 Ų156157.9 Ų157.983%0.83481%0.808SS**  trans-82.471.5158.2-100.3-21000108.3L1455 K1459L1455-D1457 PolarHBondContact O-N 3.33Å; L1455-D1457 VanDerWaalsContact O-N 3.11Å; D1457-K1459 PolarHBondContact O-N 3.42Å; D1457-K1459 VanDerWaalsContact O-N 3.13Å
1458H34.7Very low33Very low166 Ų166159.7 Ų159.777%0.76981%0.808SS**  trans-73.992.6161.1-100.2-49.8000108.1S1456 P1460S1456-H1458 PolarHBondContact O-N 2.98Å; S1456-H1458 PolarHBondContact OG-CD2 2.91Å; S1456-H1458 VanDerWaalsContact OG-CD2 3.3Å; H1458-P1460 WeakPolarHBondContact O-CD 3.14Å
1459K33.8Very low33.4Very low192 Ų192157.6 Ų157.684%0.83581%0.806SS**  trans-78.3114.2160.7-121.1175.2-177174.90108.1D1457D1457-K1459 PolarHBondContact O-N 3.42Å; D1457-K1459 VanDerWaalsContact O-N 3.13Å
1460P36.7Very low33.8Very low104 Ų104161.5 Ų161.568%0.67581%0.814SS**  trans-80128.2-176.329.4-27.9000110.5H1458 F1462H1458-P1460 WeakPolarHBondContact O-CD 3.14Å; P1460-F1462 PolarHBondContact O-N 3.42Å
1461Y35.6Very low34Very low221 Ų221163.6 Ų163.687%0.86782%0.822SS**  trans-68.7109.6165.2-80.9-96.7000108.2Y1463Y1461-Y1463 PolarHBondContact O-N 2.99Å
1462F34Very low34.2Very low200 Ų200165.4 Ų165.488%0.87783%0.828SS**  trans-72.7106.9169.9-111-92.4000108.5P1460 M1464P1460-F1462 PolarHBondContact O-N 3.42Å; F1462-M1464 PolarHBondContact O-N 2.93Å
1463Y34.9Very low34.2Very low215 Ų215167.5 Ų167.584%0.84383%0.834SS**  trans-64.8113.7159.7-88.8-101.2000108.1Y1461Y1461-Y1463 PolarHBondContact O-N 2.99Å
1464M38.1Very low34.7Very low185 Ų185172.3 Ų172.391%0.91184%0.84SS**  trans-80117.4152.9-90.5-165.2-178.300107F1462F1462-M1464 PolarHBondContact O-N 2.93Å
1465L35.4Very low34.9Very low240 Ų240174.1 Ų174.1100%1.25784%0.842SS**  trans-64.90145.9-107.2118000108.9

Retrieved 1,465 of 1,465 residues in 252.4 ms (Link to these results)