A0A087XHJ5_POEFO Loading...

Cyclic nucleotide gated channel subunit alpha 1a

AlphaFold DB , UniProt , Accession A0A087XHJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 596 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.9Very low45.6Very low242 Ų242167.3 Ų167.3100%1.19284%0.843SS**  042.40-156.1-174.7-72.300111.9
2I46.1Very low46.3Very low155 Ų155162.4 Ų162.480%0.79583%0.832SS**  trans-139.6-8.5175.2-61.8-179.9000112.4
3S42.4Very low47.1Very low115 Ų115164.7 Ų164.780%0.80483%0.832SS**THydrogen-bonded Turntrans-89.5-3.9-175.2-156.40000115.5
4S44.6Very low48.1Very low116 Ų116166.6 Ų166.681%0.81184%0.836SS**THydrogen-bonded Turntrans-106.33.1-174-55.20000114.2
5F45.3Very low49.4Very low188 Ų188160.9 Ų160.983%0.82581%0.808SS**SBendtrans-97.4-5.5-176.8-142.2-96.5000114
6F42.6Very low51.5Low181 Ų181159.4 Ų159.479%0.79480%0.795SS**SBendtrans-102.22.1-178.3-105.4-86000115.1L8F6-L8 VanDerWaalsContact C-N 3.26Å; F6-L8 PolarHBondContact O-N 3.47Å
7L45.1Very low53.6Low167 Ų167151.5 Ų151.587%0.87476%0.757SS**  trans-92.934.5174.4-77.2170.2000112.7
8L46.8Very low55.6Low164 Ų164144 Ų14486%0.85972%0.72SS**  trans-122.540.1175.7-134.6143.1000110.6F6F6-L8 VanDerWaalsContact C-N 3.26Å; F6-L8 PolarHBondContact O-N 3.47Å
9V50.4Low57.5Low105 Ų105140 Ų14064%0.63670%0.701SS**SBendtrans-121.4111.4176.1-177.80000108.8
10H47Very low59Low169 Ų169134.3 Ų134.378%0.78267%0.674SS**  trans69.381.6170.2-73.854000116.7P12H10-P12 WeakPolarHBondContact O-CD 3.49Å
11R45.9Very low60.3Low238 Ų238131.1 Ų131.190%0.89867%0.669SS**PPolyproline II helixtrans-57123.4137.3-80.2-170.4178.5-176.9-0.1106.1K13R11-K13 PolarHBondContact O-N 3.26Å; R11-K13 VanDerWaalsContact O-N 3.08Å
12P53.7Low62.3Low109 Ų109120.5 Ų120.571%0.70862%0.622SS**PPolyproline II helixtrans-56123.6173.722.9-30.3000106.7H10 E14H10-P12 WeakPolarHBondContact O-CD 3.49Å; P12-E14 PolarHBondContact O-N 3.48Å
13K57.1Low64.5Low192 Ų192118.5 Ų118.584%0.83561%0.613SS**PPolyproline II helixtrans-52.8117.4171.1-73.5180177.91780105.6R11 I15R11-K13 PolarHBondContact O-N 3.26Å; R11-K13 VanDerWaalsContact O-N 3.08Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 WeakPolarHBondContact O-CG1 3.47Å; K13-I15 PolarHBondContact O-N 3.28Å
14E60.6Low66.8Low192 Ų192117.9 Ų117.990%0.89760%0.6SS**  trans-60.1103174.2-71.7-168.6171.300106.9P12 F16P12-E14 PolarHBondContact O-N 3.48Å; E14-F16 PolarHBondContact O-N 3.33Å
15I68.3Low69.2Low80 Ų80112.8 Ų112.841%0.4156%0.563SS.*  trans-68.4125.8179.6-58.9174000105.5K13 V17 M93K13-I15 VanDerWaalsContact C-N 3.32Å; K13-I15 WeakPolarHBondContact O-CG1 3.47Å; K13-I15 PolarHBondContact O-N 3.28Å; I15-V17 PolarHBondContact O-N 3.3Å; I15-M93 HydrophobicContact CD1-CB 4.25Å
16F81.6Confident71.5Confident138 Ų138106.3 Ų106.361%0.60553%0.533SS*.  trans-63.3111.3174.3-175.1-102.4000109.2E14 I18 L24E14-F16 PolarHBondContact O-N 3.33Å; F16-I18 HydrophobicContact CD1-CG1 4.26Å; F16-I18 HydrophobicContact CE1-CD1 4.26Å; F16-I18 HydrophobicContact CE1-CG1 3.65Å; F16-I18 HydrophobicContact CZ-CG1 4.38Å; F16-L24 HydrophobicContact CE1-CD2 4.14Å; F16-L24 HydrophobicContact CZ-CD2 3.59Å
17V87.9Confident73.9Confident24 Ų24101.9 Ų101.915%0.14552%0.518CS..  trans-113.9130.1176.8173.60000107.9I15 N19 R80 K91 L96I15-V17 PolarHBondContact O-N 3.3Å; V17-N19 PolarHBondContact O-N 3.27Å; V17-R80 WeakPolarHBondContact CA-O 3.41Å; V17-K91 HydrophobicContact CG2-CB 4.04Å; V17-K91 HydrophobicContact CG2-CG 4.42Å; V17-L96 HydrophobicContact CG1-CD1 3.84Å; V17-L96 HydrophobicContact CG2-CD1 4.02Å
18I90.3Very high76.4Confident17 Ų1796.6 Ų96.69%0.08749%0.486CS..BIsolated β-bridgetrans-83119.3-178.1-65.7167.5000108.3F16 P20 L24 Y25 V77 R80 G82F16-I18 HydrophobicContact CD1-CG1 4.26Å; F16-I18 HydrophobicContact CE1-CD1 4.26Å; F16-I18 HydrophobicContact CE1-CG1 3.65Å; F16-I18 HydrophobicContact CZ-CG1 4.38Å; I18-P20 WeakPolarHBondContact O-CD 3.5Å; I18-L24 HydrophobicContact CG1-CD2 4.42Å; I18-Y25 HydrophobicContact CG2-CD2 3.88Å; I18-Y25 HydrophobicContact CG2-CG 4.28Å; I18-V77 HydrophobicContact CD1-CB 4.24Å; I18-V77 HydrophobicContact CD1-CG1 3.59Å; I18-V77 HydrophobicContact CD1-CG2 4.13Å; I18-R80 PolarHBondContact N-O 2.98Å; I18-G82 PolarHBondContact O-N 3.27Å
19N90.1Very high78.7Confident68 Ų6888.8 Ų88.836%0.36445%0.446SS..  trans-71.9118.4174.6-179.5-4.8000109.5V17 A21 G22 Y25 M89V17-N19 PolarHBondContact O-N 3.27Å; N19-A21 PolarHBondContact O-N 2.87Å; N19-A21 WeakPolarHBondContact OD1-CB 3.48Å; N19-A21 PolarHBondContact OD1-N 3.03Å; N19-G22 PolarHBondContact O-N 3.44Å; N19-Y25 WeakPolarHBondContact O-CB 3.26Å; N19-M89 HydrophobicContact CB-CE 3.9Å; N19-M89 HydrophobicContact CB-SD 4.43Å; N19-M89 WeakPolarHBondContact OD1-CE 3.48Å
20P87.9Confident80.8Confident25 Ų2589 Ų8916%0.16244%0.438CS..THydrogen-bonded Turntrans-64-21.8178.329.1-38.8000113.5I18 Y25 T81 G82I18-P20 WeakPolarHBondContact O-CD 3.5Å; P20-Y25 HydrophobicContact CB-CD1 4.39Å; P20-Y25 HydrophobicContact CB-CE1 4.46Å; P20-Y25 VanDerWaalsContact O-CD1 3.31Å; P20-Y25 WeakPolarHBondContact O-CD1 3.38Å; P20-T81 HydrophobicContact CB-CG2 4.06Å; P20-G82 WeakPolarHBondContact CD-O 3.33Å; P20-G82 VanDerWaalsContact CG-O 3.26Å; P20-G82 WeakPolarHBondContact CG-O 3.3Å
21A86.3Confident83.1Confident68 Ų6884.3 Ų84.356%0.56242%0.418SS*.THydrogen-bonded Turntrans-86.6-10.6173.600000113.1N19N19-A21 PolarHBondContact O-N 2.87Å; N19-A21 WeakPolarHBondContact OD1-CB 3.48Å; N19-A21 PolarHBondContact OD1-N 3.03Å
22G88.6Confident85.5Confident20 Ų2073 Ų7321%0.20638%0.375CS..SBendtrans-74.5160.2-176.300000113.8N19 L24 Y25 Y26N19-G22 PolarHBondContact O-N 3.44Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 3.1Å; G22-Y25 PolarHBondContact O-N 3.25Å; G22-Y26 PolarHBondContact O-N 3.48Å
23N91.1Very high87.6Confident112 Ų11268.2 Ų68.260%0.59935%0.345SS*.Hα-helixtrans-67.3-29.6175.2-72.7-21.9000112.9Y25 Y26 N27 K151N23-Y25 PolarHBondContact O-N 3.16Å; N23-Y26 PolarHBondContact O-N 3.48Å; N23-N27 WeakPolarHBondContact O-CB 3.42Å; N23-N27 PolarHBondContact O-N 3.04Å; N23-N27 PolarHBondContact O-OD1 3.09Å; N23-K151 PolarHBondContact OD1-NZ 3.44Å
24L92.4Very high89.4Confident102 Ų10264 Ų6453%0.53433%0.329SS..Hα-helixtrans-59.5-47.7176.1-179.566000111.8F16 I18 G22 Y26 N27 W28F16-L24 HydrophobicContact CE1-CD2 4.14Å; F16-L24 HydrophobicContact CZ-CD2 3.59Å; I18-L24 HydrophobicContact CG1-CD2 4.42Å; G22-L24 VanDerWaalsContact C-N 3.29Å; G22-L24 PolarHBondContact O-N 3.1Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; L24-N27 PolarHBondContact O-N 2.88Å; L24-W28 WeakPolarHBondContact O-CB 3.37Å; L24-W28 PolarHBondContact O-N 3.26Å
25Y93.4Very high91.1Very high9 Ų955.3 Ų55.34%0.03529%0.29CS..Hα-helixtrans-65-40.6178.9-175-108.8000111.7I18 N19 P20 G22 N23 W28 L29 T81 R140 E143I18-Y25 HydrophobicContact CG2-CD2 3.88Å; I18-Y25 HydrophobicContact CG2-CG 4.28Å; N19-Y25 WeakPolarHBondContact O-CB 3.26Å; P20-Y25 HydrophobicContact CB-CD1 4.39Å; P20-Y25 HydrophobicContact CB-CE1 4.46Å; P20-Y25 VanDerWaalsContact O-CD1 3.31Å; P20-Y25 WeakPolarHBondContact O-CD1 3.38Å; G22-Y25 PolarHBondContact O-N 3.25Å; N23-Y25 PolarHBondContact O-N 3.16Å; Y25-W28 WeakPolarHBondContact O-CB 3.46Å; Y25-W28 PolarHBondContact O-N 2.97Å; Y25-L29 HydrophobicContact CD1-CD1 3.89Å; Y25-L29 HydrophobicContact CD1-CG 4.32Å; Y25-L29 HydrophobicContact CE1-CD1 3.57Å; Y25-L29 HydrophobicContact CE1-CD2 4.46Å; Y25-L29 HydrophobicContact CE1-CG 4.03Å; Y25-L29 WeakPolarHBondContact O-CG 3.46Å; Y25-L29 PolarHBondContact O-N 3.09Å; Y25-T81 HydrophobicContact CD2-CG2 4.24Å; Y25-T81 HydrophobicContact CE2-CG2 3.88Å; Y25-R140 PolarHBondContact OH-NH1 2.93Å; Y25-E143 VanDerWaalsContact CE1-OE1 3.27Å; Y25-E143 WeakPolarHBondContact CE1-OE1 3.45Å; Y25-E143 PolarHBondContact OH-OE1 2.89Å; Y25-E143 PolarHBondContact OH-OE2 3.31Å
26Y93.9Very high92.5Very high53 Ų5351.5 Ų51.521%0.20827%0.27CS..Hα-helixtrans-61.8-46175.5174.3-103.7000112.8G22 N23 L24 W28 L29 F30 F144 R147 T148 K151G22-Y26 PolarHBondContact O-N 3.48Å; N23-Y26 PolarHBondContact O-N 3.48Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-W28 VanDerWaalsContact C-N 3.28Å; Y26-W28 PolarHBondContact O-N 3.02Å; Y26-L29 WeakPolarHBondContact O-CB 3.31Å; Y26-L29 PolarHBondContact O-N 2.95Å; Y26-F30 PolarHBondContact O-N 2.96Å; Y26-F144 HydrophobicContact CE2-CD2 4.39Å; Y26-F144 AromaticContact CE2-CE2 3.96Å; Y26-F144 HydrophobicContact CE2-CE2 3.96Å; Y26-R147 HydrophobicContact CD2-CB 4.17Å; Y26-T148 WeakPolarHBondContact CE2-OG1 3.48Å; Y26-T148 PolarHBondContact OH-OG1 3.41Å; Y26-K151 HydrophobicContact CD1-CD 4.38Å; Y26-K151 HydrophobicContact CD2-CD 4Å; Y26-K151 HydrophobicContact CE2-CD 4.18Å; Y26-K151 HydrophobicContact CG-CD 4.1Å
27N94.6Very high93.1Very high87 Ų8747.3 Ų47.347%0.46525%0.253SS..Hα-helixtrans-64.9-36.2176.9-66.2-7.8000111.2N23 L24 F30 I31N23-N27 WeakPolarHBondContact O-CB 3.42Å; N23-N27 PolarHBondContact O-N 3.04Å; N23-N27 PolarHBondContact O-OD1 3.09Å; L24-N27 PolarHBondContact O-N 2.88Å; N27-F30 WeakPolarHBondContact O-CB 3.46Å; N27-F30 PolarHBondContact O-N 3.48Å; N27-I31 WeakPolarHBondContact O-CG1 3.47Å; N27-I31 PolarHBondContact O-N 3.12Å; N27-I31 VanDerWaalsContact O-N 3.08Å
28W95.9Very high93.5Very high56 Ų5648 Ų4821%0.21225%0.253CS..Hα-helixtrans-64.2-41.7173.6-175.3-109.2000112.3L24 Y25 Y26 F30 I31 I32 A73 D74 V77L24-W28 WeakPolarHBondContact O-CB 3.37Å; L24-W28 PolarHBondContact O-N 3.26Å; Y25-W28 WeakPolarHBondContact O-CB 3.46Å; Y25-W28 PolarHBondContact O-N 2.97Å; Y26-W28 VanDerWaalsContact C-N 3.28Å; Y26-W28 PolarHBondContact O-N 3.02Å; W28-F30 VanDerWaalsContact C-N 3.3Å; W28-F30 PolarHBondContact O-N 3.45Å; W28-I31 HydrophobicContact CE3-CD1 4.19Å; W28-I31 HydrophobicContact CZ3-CG2 4.44Å; W28-I31 WeakPolarHBondContact O-CB 3.28Å; W28-I31 PolarHBondContact O-N 2.98Å; W28-I31 VanDerWaalsContact O-N 3.14Å; W28-I32 VanDerWaalsContact CD1-CD1 3.47Å; W28-I32 HydrophobicContact CG-CD1 4.22Å; W28-I32 VanDerWaalsContact NE1-CD1 3.33Å; W28-I32 WeakPolarHBondContact O-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.4Å; W28-I32 PolarHBondContact O-N 2.86Å; W28-A73 HydrophobicContact CH2-CB 3.73Å; W28-A73 HydrophobicContact CZ2-CB 3.85Å; W28-D74 HydrophobicContact CZ2-CB 4.4Å; W28-D74 PolarHBondContact NE1-OD1 3Å; W28-V77 HydrophobicContact CD2-CG2 4.36Å; W28-V77 HydrophobicContact CG-CG1 4.39Å; W28-V77 HydrophobicContact CZ2-CG2 4Å
29L95.3Very high93.8Very high1 Ų147.2 Ų47.21%0.00525%0.25CC..Hα-helixtrans-59-40.7173.1-77.1174.6000112.3Y25 Y26 I31 I32 A33 R140 E143 F144 R147Y25-L29 HydrophobicContact CD1-CD1 3.89Å; Y25-L29 HydrophobicContact CD1-CG 4.32Å; Y25-L29 HydrophobicContact CE1-CD1 3.57Å; Y25-L29 HydrophobicContact CE1-CD2 4.46Å; Y25-L29 HydrophobicContact CE1-CG 4.03Å; Y25-L29 WeakPolarHBondContact O-CG 3.46Å; Y25-L29 PolarHBondContact O-N 3.09Å; Y26-L29 WeakPolarHBondContact O-CB 3.31Å; Y26-L29 PolarHBondContact O-N 2.95Å; L29-I31 VanDerWaalsContact C-N 3.34Å; L29-I32 PolarHBondContact O-N 3.44Å; L29-A33 PolarHBondContact O-N 2.84Å; L29-R140 VanDerWaalsContact CD2-CZ 3.41Å; L29-R140 VanDerWaalsContact CD2-NH1 3.27Å; L29-E143 HydrophobicContact CD1-CG 4.16Å; L29-E143 HydrophobicContact CD2-CB 4.49Å; L29-E143 HydrophobicContact CD2-CG 4.31Å; L29-F144 HydrophobicContact CB-CB 4.19Å; L29-F144 HydrophobicContact CB-CD2 3.97Å; L29-R147 HydrophobicContact CD1-CB 4.42Å; L29-R147 HydrophobicContact CD1-CG 3.93Å
30F94.9Very high94.1Very high110 Ų11047.1 Ų47.148%0.48224%0.244SC..Hα-helixtrans-61.4-43174.2178.8-103.9000111.9Y26 N27 W28 I32 A33 M34 F144Y26-F30 PolarHBondContact O-N 2.96Å; N27-F30 WeakPolarHBondContact O-CB 3.46Å; N27-F30 PolarHBondContact O-N 3.48Å; W28-F30 VanDerWaalsContact C-N 3.3Å; W28-F30 PolarHBondContact O-N 3.45Å; F30-I32 VanDerWaalsContact C-N 3.26Å; F30-I32 PolarHBondContact O-N 3.4Å; F30-A33 PolarHBondContact O-N 3.18Å; F30-M34 HydrophobicContact CD1-CE 4.32Å; F30-M34 HydrophobicContact CE1-CE 4.14Å; F30-M34 HydrophobicContact CE1-SD 4.48Å; F30-M34 PolarHBondContact O-N 3.47Å; F30-F144 HydrophobicContact CB-CD2 4.31Å; F30-F144 HydrophobicContact CB-CE2 3.75Å; F30-F144 HydrophobicContact CB-CZ 4.36Å; F30-F144 HydrophobicContact CD2-CE1 4.4Å; F30-F144 AromaticContact CD2-CE2 3.89Å; F30-F144 HydrophobicContact CD2-CE2 3.89Å; F30-F144 AromaticContact CD2-CZ 3.61Å; F30-F144 HydrophobicContact CD2-CZ 3.61Å; F30-F144 HydrophobicContact CE2-CZ 4.47Å; F30-F144 HydrophobicContact CG-CE2 4.34Å; F30-F144 HydrophobicContact CG-CZ 4.48Å
31I96.3Very high94.4Very high69 Ų6947.7 Ų47.735%0.35425%0.247SC..Hα-helixtrans-60.1-37.2175.7-67.1167.2000111.5N27 W28 L29 M34 P35 V70N27-I31 WeakPolarHBondContact O-CG1 3.47Å; N27-I31 PolarHBondContact O-N 3.12Å; N27-I31 VanDerWaalsContact O-N 3.08Å; W28-I31 HydrophobicContact CE3-CD1 4.19Å; W28-I31 HydrophobicContact CZ3-CG2 4.44Å; W28-I31 WeakPolarHBondContact O-CB 3.28Å; W28-I31 PolarHBondContact O-N 2.98Å; W28-I31 VanDerWaalsContact O-N 3.14Å; L29-I31 VanDerWaalsContact C-N 3.34Å; I31-M34 HydrophobicContact CB-CE 4.47Å; I31-M34 HydrophobicContact CG1-CE 4.39Å; I31-P35 WeakPolarHBondContact O-CD 3.18Å; I31-V70 HydrophobicContact CG2-CG1 4.27Å
32I96.3Very high94.9Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-77.5-30.6178.4-62.2156000112.5W28 L29 F30 M34 P35 V36 V70 Y71 D74 R140W28-I32 VanDerWaalsContact CD1-CD1 3.47Å; W28-I32 HydrophobicContact CG-CD1 4.22Å; W28-I32 VanDerWaalsContact NE1-CD1 3.33Å; W28-I32 WeakPolarHBondContact O-CD1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.4Å; W28-I32 PolarHBondContact O-N 2.86Å; L29-I32 PolarHBondContact O-N 3.44Å; F30-I32 VanDerWaalsContact C-N 3.26Å; F30-I32 PolarHBondContact O-N 3.4Å; I32-M34 PolarHBondContact O-N 3.5Å; I32-P35 WeakPolarHBondContact O-CD 3.48Å; I32-P35 WeakPolarHBondContact O-CG 3.33Å; I32-V36 HydrophobicContact CG2-CG2 4.15Å; I32-V36 WeakPolarHBondContact O-CG2 3.41Å; I32-V36 PolarHBondContact O-N 2.82Å; I32-V70 HydrophobicContact CG1-CG1 4.39Å; I32-Y71 HydrophobicContact CG2-CE1 4.31Å; I32-D74 HydrophobicContact CD1-CB 3.88Å; I32-D74 WeakPolarHBondContact CD1-OD1 3.3Å; I32-D74 HydrophobicContact CG1-CB 4.25Å; I32-R140 HydrophobicContact CG2-CB 3.76Å; I32-R140 HydrophobicContact CG2-CG 3.93Å
33A96.1Very high95.2Very high9 Ų945.9 Ų45.97%0.07422%0.222CC..Hα-helixtrans-60.2-34.9178.100000111.5L29 F30 V36 M37 F144L29-A33 PolarHBondContact O-N 2.84Å; F30-A33 PolarHBondContact O-N 3.18Å; A33-V36 PolarHBondContact O-N 2.55Å; A33-M37 PolarHBondContact O-N 2.89Å; A33-F144 HydrophobicContact CB-CB 4.42Å; A33-F144 HydrophobicContact CB-CD1 3.87Å; A33-F144 HydrophobicContact CB-CE1 4.41Å; A33-F144 HydrophobicContact CB-CG 4.1Å
34M95.5Very high95.4Very high103 Ų10341.4 Ų41.451%0.50720%0.198SC..Hα-helixtrans-58.9-57.1177.8-68.5-172.6-81.500114.1F30 I31 I32 V36 M37 Y38F30-M34 HydrophobicContact CD1-CE 4.32Å; F30-M34 HydrophobicContact CE1-CE 4.14Å; F30-M34 HydrophobicContact CE1-SD 4.48Å; F30-M34 PolarHBondContact O-N 3.47Å; I31-M34 HydrophobicContact CB-CE 4.47Å; I31-M34 HydrophobicContact CG1-CE 4.39Å; I32-M34 PolarHBondContact O-N 3.5Å; M34-V36 VanDerWaalsContact C-N 3.29Å; M34-V36 PolarHBondContact O-N 3.22Å; M34-M37 PolarHBondContact O-N 3.34Å; M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 2.8Å
35P96.4Very high95.6Very high10 Ų1036.9 Ų36.97%0.06518%0.175CC..Hα-helixtrans-65-30.1177.324.6-34.1000112.7I31 I32 N39 C67 V70 Y71I31-P35 WeakPolarHBondContact O-CD 3.18Å; I32-P35 WeakPolarHBondContact O-CD 3.48Å; I32-P35 WeakPolarHBondContact O-CG 3.33Å; P35-N39 WeakPolarHBondContact O-CB 3.27Å; P35-N39 PolarHBondContact O-N 3.49Å; P35-N39 PolarHBondContact O-ND2 3.39Å; P35-C67 HydrophobicContact CB-CB 3.74Å; P35-C67 VanDerWaalsContact CB-SG 3.54Å; P35-V70 HydrophobicContact CG-CB 4.48Å; P35-V70 HydrophobicContact CG-CG1 4.04Å; P35-Y71 HydrophobicContact CB-CE1 4.11Å; P35-Y71 HydrophobicContact CG-CE1 3.96Å; P35-Y71 PolarHBondContact O-OH 2.85Å; P35-Y71 VanDerWaalsContact O-OH 3.13Å
36V96.8Very high95.7Very high0 Ų036.5 Ų36.50%017%0.174CC..Hα-helixtrans-66.8-45.8174.1-176.40000110.9I32 A33 M34 N39 W40 Y71 R137 I138 M141I32-V36 HydrophobicContact CG2-CG2 4.15Å; I32-V36 WeakPolarHBondContact O-CG2 3.41Å; I32-V36 PolarHBondContact O-N 2.82Å; A33-V36 PolarHBondContact O-N 2.55Å; M34-V36 VanDerWaalsContact C-N 3.29Å; M34-V36 PolarHBondContact O-N 3.22Å; V36-N39 PolarHBondContact O-N 2.82Å; V36-W40 WeakPolarHBondContact O-CB 3.3Å; V36-W40 PolarHBondContact O-N 2.79Å; V36-Y71 VanDerWaalsContact CA-OH 3.26Å; V36-Y71 WeakPolarHBondContact CA-OH 3.47Å; V36-Y71 HydrophobicContact CG2-CE1 3.8Å; V36-Y71 WeakPolarHBondContact CG2-OH 3.29Å; V36-Y71 PolarHBondContact N-OH 3.44Å; V36-R137 HydrophobicContact CG2-CB 3.85Å; V36-I138 HydrophobicContact CG1-CD1 4.4Å; V36-M141 HydrophobicContact CB-CE 3.73Å; V36-M141 HydrophobicContact CG1-CB 4.19Å; V36-M141 HydrophobicContact CG1-CE 3.54Å
37M95.9Very high95.7Very high50 Ų5035.2 Ų35.225%0.24617%0.174CC..Hα-helixtrans-59.1-47.4173.7-79.1-55.1-57.500111.2A33 M34 N39 W40 T41 M141 M165 I169A33-M37 PolarHBondContact O-N 2.89Å; M34-M37 PolarHBondContact O-N 3.34Å; M37-N39 PolarHBondContact O-N 2.82Å; M37-W40 PolarHBondContact O-N 3.22Å; M37-T41 HydrophobicContact CE-CG2 4.46Å; M37-T41 PolarHBondContact O-N 3.18Å; M37-T41 PolarHBondContact O-OG1 2.87Å; M37-M141 HydrophobicContact CB-CE 4.06Å; M37-M141 HydrophobicContact CG-CE 3.34Å; M37-M141 HydrophobicContact CG-SD 4.41Å; M37-M141 HydrophobicContact SD-CE 3.18Å; M37-M141 WeakPolarHBondContact SD-CE 3.45Å; M37-M141 HydrophobicContact SD-SD 3.58Å; M37-M165 HydrophobicContact CE-CG 4.26Å; M37-M165 HydrophobicContact CE-SD 4.02Å; M37-M165 HydrophobicContact SD-SD 3.85Å; M37-I169 HydrophobicContact CE-CD1 3.83Å; M37-I169 HydrophobicContact CE-CG1 4.39Å; M37-I169 HydrophobicContact SD-CD1 4.31Å
38Y96.6Very high95.7Very high39 Ų3931.5 Ų31.515%0.15316%0.155CC..Hα-helixtrans-55.3-50.7178.1167.5-97.5000111.9M34 W40 T41 M42 R46 W60 L63 D64 C67M34-Y38 WeakPolarHBondContact O-CB 3.38Å; M34-Y38 PolarHBondContact O-N 2.8Å; Y38-W40 VanDerWaalsContact C-N 3.34Å; Y38-W40 PolarHBondContact O-N 3.31Å; Y38-T41 PolarHBondContact O-N 2.91Å; Y38-T41 PolarHBondContact O-OG1 3.49Å; Y38-M42 HydrophobicContact CD2-CB 4.11Å; Y38-M42 HydrophobicContact CD2-CG 3.57Å; Y38-M42 HydrophobicContact CE2-CB 3.8Å; Y38-M42 HydrophobicContact CE2-CG 3.55Å; Y38-M42 HydrophobicContact CG-CG 4.4Å; Y38-M42 VanDerWaalsContact O-CB 3.25Å; Y38-M42 WeakPolarHBondContact O-CB 3.35Å; Y38-M42 WeakPolarHBondContact O-CG 3.27Å; Y38-M42 PolarHBondContact O-N 2.98Å; Y38-R46 PolarHBondContact OH-NH1 3.4Å; Y38-W60 HydrophobicContact CE2-CE3 4.41Å; Y38-W60 HydrophobicContact CE2-CZ3 4.1Å; Y38-W60 VanDerWaalsContact OH-CE3 3.31Å; Y38-L63 HydrophobicContact CE1-CB 4.49Å; Y38-L63 HydrophobicContact CE2-CB 4.38Å; Y38-L63 HydrophobicContact CE2-CD1 4.12Å; Y38-D64 WeakPolarHBondContact CE1-OD1 3.46Å; Y38-D64 PolarHBondContact OH-OD1 3.47Å; Y38-C67 VanDerWaalsContact CD1-SG 3.52Å
39N95.9Very high95.6Very high1 Ų129.7 Ų29.71%0.00515%0.149CC..Hα-helixtrans-65.6-38.5-179.9-75.5-44.7000111.7P35 V36 M37 T41 I43 Y71 K134 L135P35-N39 WeakPolarHBondContact O-CB 3.27Å; P35-N39 PolarHBondContact O-N 3.49Å; P35-N39 PolarHBondContact O-ND2 3.39Å; V36-N39 PolarHBondContact O-N 2.82Å; M37-N39 PolarHBondContact O-N 2.82Å; N39-T41 VanDerWaalsContact C-N 3.31Å; N39-T41 PolarHBondContact O-N 2.91Å; N39-I43 HydrophobicContact CB-CD1 3.81Å; N39-I43 HydrophobicContact CB-CG1 4.43Å; N39-I43 WeakPolarHBondContact O-CB 3.27Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.13Å; N39-I43 PolarHBondContact O-N 2.89Å; N39-Y71 WeakPolarHBondContact ND2-CE2 3.46Å; N39-Y71 PolarHBondContact ND2-OH 3.35Å; N39-K134 HydrophobicContact CB-CB 4.34Å; N39-L135 HydrophobicContact CB-CD2 4.48Å; N39-L135 WeakPolarHBondContact O-CD2 3.29Å
40W95.3Very high95.3Very high65 Ų6533.5 Ų33.525%0.24617%0.166CC..Hα-helixtrans-66.9-27178.7-96.676.8000114.3V36 M37 Y38 L135 I138 I169 W173V36-W40 WeakPolarHBondContact O-CB 3.3Å; V36-W40 PolarHBondContact O-N 2.79Å; M37-W40 PolarHBondContact O-N 3.22Å; Y38-W40 VanDerWaalsContact C-N 3.34Å; Y38-W40 PolarHBondContact O-N 3.31Å; W40-L135 HydrophobicContact CB-CD2 4.31Å; W40-L135 HydrophobicContact CD2-CD2 4.23Å; W40-L135 HydrophobicContact CG-CD2 3.81Å; W40-L135 PolarHBondContact NE1-O 3.4Å; W40-L135 VanDerWaalsContact NE1-O 3.11Å; W40-I138 HydrophobicContact CD2-CD1 4.38Å; W40-I138 HydrophobicContact CZ2-CB 4.03Å; W40-I138 HydrophobicContact CZ2-CD1 4.07Å; W40-I138 HydrophobicContact CZ2-CG1 3.95Å; W40-I169 HydrophobicContact CE3-CG2 4.13Å; W40-W173 HydrophobicContact CE3-CZ2 4.09Å; W40-W173 HydrophobicContact CZ3-CZ2 4.4Å; W40-W173 PolarHBondContact O-NE1 3.08Å
41T95.8Very high95.1Very high37 Ų3731.7 Ų31.723%0.22716%0.159CC..Hα-helixtrans-98.8-46.1177.157.60000112.1M37 Y38 N39 I44 A45 H172M37-T41 HydrophobicContact CE-CG2 4.46Å; M37-T41 PolarHBondContact O-N 3.18Å; M37-T41 PolarHBondContact O-OG1 2.87Å; Y38-T41 PolarHBondContact O-N 2.91Å; Y38-T41 PolarHBondContact O-OG1 3.49Å; N39-T41 VanDerWaalsContact C-N 3.31Å; N39-T41 PolarHBondContact O-N 2.91Å; T41-I44 WeakPolarHBondContact O-CG2 3.36Å; T41-A45 WeakPolarHBondContact O-CB 3.34Å; T41-A45 PolarHBondContact O-N 2.88Å; T41-H172 PolarHBondContact O-NE2 2.61Å
42M95.6Very high94.8Very high43 Ų4331 Ų3121%0.21216%0.156CC..Hα-helixtrans-81.6-29.8-167.5-60.1-57.4-74.900113.8Y38 R46 L52 W60Y38-M42 HydrophobicContact CD2-CB 4.11Å; Y38-M42 HydrophobicContact CD2-CG 3.57Å; Y38-M42 HydrophobicContact CE2-CB 3.8Å; Y38-M42 HydrophobicContact CE2-CG 3.55Å; Y38-M42 HydrophobicContact CG-CG 4.4Å; Y38-M42 VanDerWaalsContact O-CB 3.25Å; Y38-M42 WeakPolarHBondContact O-CB 3.35Å; Y38-M42 WeakPolarHBondContact O-CG 3.27Å; Y38-M42 PolarHBondContact O-N 2.98Å; M42-R46 VanDerWaalsContact O-CB 3.24Å; M42-R46 WeakPolarHBondContact O-CB 3.44Å; M42-R46 VanDerWaalsContact O-CD 3.28Å; M42-R46 WeakPolarHBondContact O-CD 3.34Å; M42-R46 WeakPolarHBondContact O-CG 3.35Å; M42-R46 PolarHBondContact O-N 3.36Å; M42-L52 HydrophobicContact CE-CD2 4.3Å; M42-W60 HydrophobicContact CE-CH2 3.14Å; M42-W60 HydrophobicContact CE-CZ2 3.97Å; M42-W60 HydrophobicContact CE-CZ3 3.56Å
43I95.1Very high94.6Very high7 Ų731.3 Ų31.34%0.03616%0.157CC..Hα-helixtrans-62.9-49.5179.9-67.3175.2000110.3N39 A47 R131 K134 L135N39-I43 HydrophobicContact CB-CD1 3.81Å; N39-I43 HydrophobicContact CB-CG1 4.43Å; N39-I43 WeakPolarHBondContact O-CB 3.27Å; N39-I43 VanDerWaalsContact O-CG1 3.3Å; N39-I43 WeakPolarHBondContact O-CG1 3.13Å; N39-I43 PolarHBondContact O-N 2.89Å; I43-A47 WeakPolarHBondContact O-CB 3.29Å; I43-A47 PolarHBondContact O-N 3.25Å; I43-R131 HydrophobicContact CD1-CB 4.15Å; I43-R131 WeakPolarHBondContact CD1-O 3.35Å; I43-K134 HydrophobicContact CD1-CB 4.12Å; I43-L135 HydrophobicContact CD1-CD2 4.42Å
44I96.3Very high94.3Very high19 Ų1935.2 Ų35.210%0.09717%0.174CC..Hα-helixtrans-68.7-41.4-179.9-171.362.3000111.5T41 R46 A47 C48 W173 C176 F177T41-I44 WeakPolarHBondContact O-CG2 3.36Å; I44-R46 PolarHBondContact O-N 2.88Å; I44-A47 PolarHBondContact O-N 3Å; I44-C48 PolarHBondContact O-N 3.06Å; I44-C48 PolarHBondContact O-SG 2.74Å; I44-C48 VanDerWaalsContact O-SG 3.41Å; I44-W173 HydrophobicContact CB-CD2 4.39Å; I44-W173 HydrophobicContact CB-CH2 4.36Å; I44-W173 HydrophobicContact CB-CZ2 4.23Å; I44-W173 HydrophobicContact CB-CZ3 4.5Å; I44-W173 HydrophobicContact CD1-CE3 4.47Å; I44-W173 HydrophobicContact CD1-CZ3 4.37Å; I44-W173 HydrophobicContact CG1-CD2 4.28Å; I44-W173 HydrophobicContact CG1-CE3 4.12Å; I44-W173 HydrophobicContact CG1-CZ3 4.33Å; I44-W173 HydrophobicContact CG2-CD2 4.07Å; I44-W173 HydrophobicContact CG2-CG 4.31Å; I44-W173 HydrophobicContact CG2-CZ2 4.13Å; I44-C176 HydrophobicContact CG1-CB 3.73Å; I44-F177 HydrophobicContact CD1-CE1 4.02Å; I44-F177 HydrophobicContact CD1-CZ 4.45Å
45A95.7Very high94.1Very high6 Ų635.6 Ų35.65%0.0518%0.178CC..Hα-helixtrans-59.4-45.6176.700000111.8T41 A47 C48 F49 L52T41-A45 WeakPolarHBondContact O-CB 3.34Å; T41-A45 PolarHBondContact O-N 2.88Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A45-A47 PolarHBondContact O-N 3.47Å; A45-C48 PolarHBondContact O-N 2.79Å; A45-F49 WeakPolarHBondContact O-CB 3.32Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A45-F49 PolarHBondContact O-N 2.76Å; A45-L52 HydrophobicContact CB-CD2 4.28Å
46R95.1Very high93.8Very high2 Ų240.9 Ų40.91%0.00820%0.198CC..Hα-helixtrans-68.3-31.1178.5-70.7163.155.9-165.2-6.1112.4Y38 M42 I44 L52 Q53 W60 D64 P128Y38-R46 PolarHBondContact OH-NH1 3.4Å; M42-R46 VanDerWaalsContact O-CB 3.24Å; M42-R46 WeakPolarHBondContact O-CB 3.44Å; M42-R46 VanDerWaalsContact O-CD 3.28Å; M42-R46 WeakPolarHBondContact O-CD 3.34Å; M42-R46 WeakPolarHBondContact O-CG 3.35Å; M42-R46 PolarHBondContact O-N 3.36Å; I44-R46 PolarHBondContact O-N 2.88Å; R46-L52 HydrophobicContact CG-CD2 3.85Å; R46-L52 HydrophobicContact CG-CG 4.15Å; R46-Q53 HydrophobicContact CB-CB 4.41Å; R46-W60 VanDerWaalsContact CZ-CB 3.49Å; R46-D64 IonicContact CZ-OD2 2.82Å; R46-D64 VanDerWaalsContact NH1-CG 3.26Å; R46-D64 IonicContact NH1-OD1 2.6Å; R46-D64 PolarHBondContact NH1-OD1 2.91Å; R46-D64 IonicContact NH1-OD2 2.95Å; R46-D64 PolarHBondContact NH1-OD2 3.46Å; R46-D64 IonicContact NH2-OD2 3.95Å; R46-D64 PolarHBondContact NH2-OD2 3.27Å; R46-P128 VanDerWaalsContact C-CG 3.48Å; R46-P128 HydrophobicContact CB-CB 4.05Å; R46-P128 HydrophobicContact CB-CG 3.76Å
47A94.1Very high93.6Very high26 Ų2643.2 Ų43.222%0.21521%0.21CC..Hα-helixtrans-70.5-3917700000112I43 I44 A45 P128 E129I43-A47 WeakPolarHBondContact O-CB 3.29Å; I43-A47 PolarHBondContact O-N 3.25Å; I44-A47 PolarHBondContact O-N 3Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A45-A47 PolarHBondContact O-N 3.47Å; A47-P128 HydrophobicContact CB-CG 4.06Å; A47-E129 HydrophobicContact CB-CB 4.3Å
48C94.8Very high93.4Very high8 Ų846.8 Ų46.85%0.05423%0.229CC..Hα-helixtrans-87.3-35-177.5-59.30000113I44 A45 C176 F179I44-C48 PolarHBondContact O-N 3.06Å; I44-C48 PolarHBondContact O-SG 2.74Å; I44-C48 VanDerWaalsContact O-SG 3.41Å; A45-C48 PolarHBondContact O-N 2.79Å; C48-C176 HydrophobicContact CB-CB 3.95Å; C48-C176 WeakPolarHBondContact CB-O 3.38Å; C48-C176 PolarHBondContact SG-O 3.34Å; C48-F179 WeakPolarHBondContact O-CD1 3.27Å; C48-F179 WeakPolarHBondContact O-CE1 3.42Å
49F93.8Very high93.3Very high19 Ų1952.4 Ų52.48%0.08325%0.251CS..  trans-106.282.2178.9-59.2-83.5000110.4A45 E51 L52 F179 K211 Y212A45-F49 WeakPolarHBondContact O-CB 3.32Å; A45-F49 WeakPolarHBondContact O-CD2 3.45Å; A45-F49 PolarHBondContact O-N 2.76Å; F49-E51 VanDerWaalsContact C-N 3.28Å; F49-E51 PolarHBondContact O-N 3.46Å; F49-L52 HydrophobicContact CB-CB 4.41Å; F49-L52 WeakPolarHBondContact O-CB 3.21Å; F49-L52 PolarHBondContact O-N 3.1Å; F49-F179 AromaticContact CD1-CD1 3.73Å; F49-F179 HydrophobicContact CD1-CD1 3.73Å; F49-F179 AromaticContact CD1-CE1 3.71Å; F49-F179 HydrophobicContact CD1-CE1 3.71Å; F49-F179 HydrophobicContact CD1-CG 4.16Å; F49-F179 HydrophobicContact CD1-CZ 4.13Å; F49-F179 HydrophobicContact CE1-CB 4.07Å; F49-F179 AromaticContact CE1-CD1 3.55Å; F49-F179 HydrophobicContact CE1-CD1 3.55Å; F49-F179 AromaticContact CE1-CD2 3.76Å; F49-F179 HydrophobicContact CE1-CD2 3.76Å; F49-F179 AromaticContact CE1-CE1 3.87Å; F49-F179 HydrophobicContact CE1-CE1 3.87Å; F49-F179 HydrophobicContact CE1-CE2 4.07Å; F49-F179 AromaticContact CE1-CG 3.49Å; F49-F179 HydrophobicContact CE1-CG 3.49Å; F49-F179 VanDerWaalsContact CE1-CG 3.49Å; F49-F179 HydrophobicContact CE1-CZ 4.13Å; F49-F179 HydrophobicContact CG-CD1 4.4Å; F49-F179 HydrophobicContact CZ-CB 3.89Å; F49-F179 HydrophobicContact CZ-CD1 4.08Å; F49-F179 HydrophobicContact CZ-CD2 4.37Å; F49-F179 AromaticContact CZ-CG 3.84Å; F49-F179 HydrophobicContact CZ-CG 3.84Å; F49-K211 HydrophobicContact CD1-CB 4.12Å; F49-K211 HydrophobicContact CE1-CB 3.88Å; F49-Y212 HydrophobicContact CD2-CD2 4.45Å; F49-Y212 AromaticContact CE2-CD2 3.74Å; F49-Y212 HydrophobicContact CE2-CD2 3.74Å; F49-Y212 HydrophobicContact CE2-CE2 4.47Å; F49-Y212 AromaticContact CZ-CD2 3.9Å; F49-Y212 HydrophobicContact CZ-CD2 3.9Å
50E90.1Very high93.2Very high81 Ų8153.5 Ų53.538%0.37926%0.255SS..Hα-helixtrans-57.8-33.3-171.4-70.1174.6-173.400114.9L52 Q53 Q54 K183E50-L52 PolarHBondContact O-N 3.02Å; E50-Q53 WeakPolarHBondContact O-CA 3.28Å; E50-Q53 WeakPolarHBondContact O-CB 3.39Å; E50-Q53 PolarHBondContact O-N 2.75Å; E50-Q54 WeakPolarHBondContact O-CG 3.32Å; E50-Q54 PolarHBondContact O-N 3.07Å; E50-K183 IonicContact OE1-NZ 2.65Å; E50-K183 PolarHBondContact OE1-NZ 2.88Å; E50-K183 IonicContact OE2-NZ 3.09Å; E50-K183 PolarHBondContact OE2-NZ 3.36Å
51E89.4Confident93.1Very high72 Ų7253.5 Ų53.534%0.33626%0.26SS..Hα-helixtrans-55.9-37.4175.5-69167.9-176.700111.2F49 Q53 Q54 D55 K211F49-E51 VanDerWaalsContact C-N 3.28Å; F49-E51 PolarHBondContact O-N 3.46Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.12Å; E51-Q54 PolarHBondContact O-N 2.92Å; E51-D55 WeakPolarHBondContact O-CB 3.27Å; E51-D55 PolarHBondContact O-N 2.91Å; E51-K211 IonicContact OE1-NZ 2.61Å; E51-K211 PolarHBondContact OE1-NZ 3.23Å; E51-K211 IonicContact OE2-NZ 2.85Å; E51-K211 PolarHBondContact OE2-NZ 3.41Å
52L90.8Very high93Very high55 Ų5557.4 Ų57.429%0.28828%0.278SS..Hα-helixtrans-60.8-41.8176.4-169.865.2000110.9M42 A45 R46 F49 E50 W60M42-L52 HydrophobicContact CE-CD2 4.3Å; A45-L52 HydrophobicContact CB-CD2 4.28Å; R46-L52 HydrophobicContact CG-CD2 3.85Å; R46-L52 HydrophobicContact CG-CG 4.15Å; F49-L52 HydrophobicContact CB-CB 4.41Å; F49-L52 WeakPolarHBondContact O-CB 3.21Å; F49-L52 PolarHBondContact O-N 3.1Å; E50-L52 PolarHBondContact O-N 3.02Å; L52-W60 HydrophobicContact CD1-CZ2 3.87Å; L52-W60 HydrophobicContact CD2-CZ2 4.45Å; L52-W60 HydrophobicContact CG-CZ2 3.86Å; L52-W60 PolarHBondContact O-NE1 3.13Å
53Q91.7Very high93.1Very high5 Ų558.5 Ų58.52%0.02329%0.285CS..Hα-helixtrans-72.4-42.4178.7175.863.38.900112.2R46 E50 E51 I57 L125 P128R46-Q53 HydrophobicContact CB-CB 4.41Å; E50-Q53 WeakPolarHBondContact O-CA 3.28Å; E50-Q53 WeakPolarHBondContact O-CB 3.39Å; E50-Q53 PolarHBondContact O-N 2.75Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.12Å; Q53-I57 WeakPolarHBondContact O-CA 3.48Å; Q53-I57 PolarHBondContact O-N 3.45Å; Q53-L125 PolarHBondContact NE2-O 2.87Å; Q53-P128 HydrophobicContact CG-CG 4.46Å
54Q89.8Confident93.1Very high91 Ų9158.4 Ų58.443%0.42528%0.284SS..Hα-helixtrans-72.9-46.4-172.1-7017912.100112.5E50 E51 Y56E50-Q54 WeakPolarHBondContact O-CG 3.32Å; E50-Q54 PolarHBondContact O-N 3.07Å; E51-Q54 PolarHBondContact O-N 2.92Å; Q54-Y56 VanDerWaalsContact C-N 3.32Å; Q54-Y56 PolarHBondContact O-N 2.8Å
55D90.8Very high93Very high111 Ų11162.9 Ų62.959%0.59430%0.301SS*.Hα-helixtrans-71.2-28.1-173.4-68.9-14.7000112.9E51E51-D55 WeakPolarHBondContact O-CB 3.27Å; E51-D55 PolarHBondContact O-N 2.91Å
56Y91.7Very high93Very high122 Ų12265 Ų6548%0.47832%0.315SS..THydrogen-bonded Turntrans-12224.7-170.3-57.3-79.7000114Q54 L58 Y59 W60Q54-Y56 VanDerWaalsContact C-N 3.32Å; Q54-Y56 PolarHBondContact O-N 2.8Å; Y56-L58 VanDerWaalsContact C-N 3.27Å; Y56-L58 PolarHBondContact O-N 2.96Å; Y56-L58 VanDerWaalsContact O-N 3.08Å; Y56-Y59 HydrophobicContact CD1-CD2 4.12Å; Y56-Y59 HydrophobicContact CD1-CE2 4.41Å; Y56-Y59 WeakPolarHBondContact O-CB 3.27Å; Y56-Y59 PolarHBondContact O-N 3.16Å; Y56-W60 VanDerWaalsContact O-CD1 3.28Å; Y56-W60 PolarHBondContact O-N 3.07Å; Y56-W60 VanDerWaalsContact O-N 3.14Å
57I90.9Very high93Very high49 Ų4965.3 Ų65.325%0.25132%0.318SS..Hα-helixtrans-52.4-38.7-170.3-158.2165.3000114.7Q53 W60 I61 L125Q53-I57 WeakPolarHBondContact O-CA 3.48Å; Q53-I57 PolarHBondContact O-N 3.45Å; I57-W60 PolarHBondContact O-N 3Å; I57-I61 HydrophobicContact CG1-CD1 4.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.5Å; I57-I61 PolarHBondContact O-N 3.44Å; I57-L125 HydrophobicContact CD1-CB 3.56Å; I57-L125 HydrophobicContact CD1-CD1 4.1Å; I57-L125 HydrophobicContact CD1-CG 4.46Å
58L92.5Very high93.1Very high125 Ų12564.7 Ų64.765%0.65431%0.311SS*.Hα-helixtrans-69-38.9-179.7-174.2130.1000112.2Y56 W60 L62Y56-L58 VanDerWaalsContact C-N 3.27Å; Y56-L58 PolarHBondContact O-N 2.96Å; Y56-L58 VanDerWaalsContact O-N 3.08Å; L58-W60 VanDerWaalsContact C-N 3.33Å; L58-L62 PolarHBondContact O-N 2.92Å; L58-L62 VanDerWaalsContact O-N 3.16Å
59Y93.9Very high93.2Very high156 Ų15670.2 Ų70.261%0.61234%0.339SS*.Hα-helixtrans-65.5-40.9175.3-66.9-79.5000110.9Y56 L62 L63Y56-Y59 HydrophobicContact CD1-CD2 4.12Å; Y56-Y59 HydrophobicContact CD1-CE2 4.41Å; Y56-Y59 WeakPolarHBondContact O-CB 3.27Å; Y56-Y59 PolarHBondContact O-N 3.16Å; Y59-L62 PolarHBondContact O-N 3.36Å; Y59-L63 WeakPolarHBondContact O-CG 3.46Å; Y59-L63 PolarHBondContact O-N 3.17Å
60W94.4Very high93.3Very high25 Ų2571.1 Ų71.110%0.09535%0.346CS..Hα-helixtrans-64.7-46.4178.2-63.5134.6000113.2Y38 M42 R46 L52 Y56 I57 L58 L62 L63 D64Y38-W60 HydrophobicContact CE2-CE3 4.41Å; Y38-W60 HydrophobicContact CE2-CZ3 4.1Å; Y38-W60 VanDerWaalsContact OH-CE3 3.31Å; M42-W60 HydrophobicContact CE-CH2 3.14Å; M42-W60 HydrophobicContact CE-CZ2 3.97Å; M42-W60 HydrophobicContact CE-CZ3 3.56Å; R46-W60 VanDerWaalsContact CZ-CB 3.49Å; L52-W60 HydrophobicContact CD1-CZ2 3.87Å; L52-W60 HydrophobicContact CD2-CZ2 4.45Å; L52-W60 HydrophobicContact CG-CZ2 3.86Å; L52-W60 PolarHBondContact O-NE1 3.13Å; Y56-W60 VanDerWaalsContact O-CD1 3.28Å; Y56-W60 PolarHBondContact O-N 3.07Å; Y56-W60 VanDerWaalsContact O-N 3.14Å; I57-W60 PolarHBondContact O-N 3Å; L58-W60 VanDerWaalsContact C-N 3.33Å; W60-L62 VanDerWaalsContact C-N 3.27Å; W60-L62 PolarHBondContact O-N 2.98Å; W60-L63 HydrophobicContact CE3-CD1 3.95Å; W60-L63 HydrophobicContact CZ3-CD1 3.87Å; W60-L63 PolarHBondContact O-N 3.43Å; W60-D64 WeakPolarHBondContact O-CB 3.21Å; W60-D64 PolarHBondContact O-N 3.08Å
61I92.4Very high93.6Very high65 Ų6567.2 Ų67.233%0.33333%0.328SS..Hα-helixtrans-53.5-48.2174-77.6170.7000110.4I57 L63 D64 Y65I57-I61 HydrophobicContact CG1-CD1 4.31Å; I57-I61 WeakPolarHBondContact O-CG1 3.5Å; I57-I61 PolarHBondContact O-N 3.44Å; I61-L63 PolarHBondContact O-N 3.38Å; I61-D64 PolarHBondContact O-N 3.12Å; I61-Y65 HydrophobicContact CG2-CD2 3.77Å; I61-Y65 HydrophobicContact CG2-CE2 3.81Å; I61-Y65 WeakPolarHBondContact O-CD2 3.4Å; I61-Y65 PolarHBondContact O-N 3.19Å; I61-Y65 VanDerWaalsContact O-N 3.07Å
62L95.4Very high93.9Very high118 Ų11868.2 Ų68.262%0.61834%0.335SS*.Hα-helixtrans-61.7-45.4179.7-176144.5000112.1L58 Y59 W60 S66L58-L62 PolarHBondContact O-N 2.92Å; L58-L62 VanDerWaalsContact O-N 3.16Å; Y59-L62 PolarHBondContact O-N 3.36Å; W60-L62 VanDerWaalsContact C-N 3.27Å; W60-L62 PolarHBondContact O-N 2.98Å; L62-S66 VanDerWaalsContact O-CB 3.3Å; L62-S66 WeakPolarHBondContact O-CB 3.29Å; L62-S66 PolarHBondContact O-N 3.22Å
63L95.7Very high94.2Very high67 Ų6767.3 Ų67.335%0.35134%0.336SS..Hα-helixtrans-66.9-45179.3-72.3175.9000112.2Y38 Y59 W60 I61 S66 C67Y38-L63 HydrophobicContact CE1-CB 4.49Å; Y38-L63 HydrophobicContact CE2-CB 4.38Å; Y38-L63 HydrophobicContact CE2-CD1 4.12Å; Y59-L63 WeakPolarHBondContact O-CG 3.46Å; Y59-L63 PolarHBondContact O-N 3.17Å; W60-L63 HydrophobicContact CE3-CD1 3.95Å; W60-L63 HydrophobicContact CZ3-CD1 3.87Å; W60-L63 PolarHBondContact O-N 3.43Å; I61-L63 PolarHBondContact O-N 3.38Å; L63-S66 PolarHBondContact O-N 3.02Å; L63-S66 PolarHBondContact O-OG 3.43Å; L63-C67 PolarHBondContact O-N 3.45Å; L63-C67 PolarHBondContact O-SG 2.94Å
64D95.1Very high94.4Very high4 Ų467.1 Ų67.12%0.02133%0.334CS..Hα-helixtrans-59.2-49.7-179.5-76.5-22.8000111.4Y38 R46 W60 I61 S66 C67 D68 R131Y38-D64 WeakPolarHBondContact CE1-OD1 3.46Å; Y38-D64 PolarHBondContact OH-OD1 3.47Å; R46-D64 IonicContact CZ-OD2 2.82Å; R46-D64 VanDerWaalsContact NH1-CG 3.26Å; R46-D64 IonicContact NH1-OD1 2.6Å; R46-D64 PolarHBondContact NH1-OD1 2.91Å; R46-D64 IonicContact NH1-OD2 2.95Å; R46-D64 PolarHBondContact NH1-OD2 3.46Å; R46-D64 IonicContact NH2-OD2 3.95Å; R46-D64 PolarHBondContact NH2-OD2 3.27Å; W60-D64 WeakPolarHBondContact O-CB 3.21Å; W60-D64 PolarHBondContact O-N 3.08Å; I61-D64 PolarHBondContact O-N 3.12Å; D64-S66 VanDerWaalsContact C-N 3.35Å; D64-C67 WeakPolarHBondContact O-CB 3.41Å; D64-C67 PolarHBondContact O-N 3.46Å; D64-D68 PolarHBondContact O-N 2.9Å; D64-D68 VanDerWaalsContact O-N 3.07Å; D64-R131 PolarHBondContact O-NH2 3.49Å; D64-R131 IonicContact OD2-NE 3.95Å
65Y94.5Very high94.6Very high113 Ų11364.2 Ų64.244%0.44332%0.321SS..Hα-helixtrans-73.1-26.9178.6-69.8-62.4000112.8I61 C67 D68 L69I61-Y65 HydrophobicContact CG2-CD2 3.77Å; I61-Y65 HydrophobicContact CG2-CE2 3.81Å; I61-Y65 WeakPolarHBondContact O-CD2 3.4Å; I61-Y65 PolarHBondContact O-N 3.19Å; I61-Y65 VanDerWaalsContact O-N 3.07Å; Y65-C67 VanDerWaalsContact C-N 3.34Å; Y65-D68 PolarHBondContact O-N 2.84Å; Y65-L69 PolarHBondContact O-N 3.25Å
66S96.1Very high94.8Very high50 Ų5064.8 Ų64.835%0.3532%0.319SS..Hα-helixtrans-65.4-39.2170.281.10000111.6L62 L63 D64 L69 V70L62-S66 VanDerWaalsContact O-CB 3.3Å; L62-S66 WeakPolarHBondContact O-CB 3.29Å; L62-S66 PolarHBondContact O-N 3.22Å; L63-S66 PolarHBondContact O-N 3.02Å; L63-S66 PolarHBondContact O-OG 3.43Å; D64-S66 VanDerWaalsContact C-N 3.35Å; S66-L69 PolarHBondContact O-N 3.21Å; S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 2.98Å; S66-V70 VanDerWaalsContact O-N 3.13Å
67C96.1Very high94.9Very high10 Ų1060 Ų607%0.06830%0.302CS..Hα-helixtrans-64.5-42.4174.9-65.60000111.3P35 Y38 L63 D64 Y65 L69 V70 Y71P35-C67 HydrophobicContact CB-CB 3.74Å; P35-C67 VanDerWaalsContact CB-SG 3.54Å; Y38-C67 VanDerWaalsContact CD1-SG 3.52Å; L63-C67 PolarHBondContact O-N 3.45Å; L63-C67 PolarHBondContact O-SG 2.94Å; D64-C67 WeakPolarHBondContact O-CB 3.41Å; D64-C67 PolarHBondContact O-N 3.46Å; Y65-C67 VanDerWaalsContact C-N 3.34Å; C67-L69 VanDerWaalsContact C-N 3.34Å; C67-L69 PolarHBondContact O-N 3.35Å; C67-V70 PolarHBondContact O-N 3.36Å; C67-Y71 WeakPolarHBondContact O-CD2 3.37Å; C67-Y71 PolarHBondContact O-N 2.99Å
68D95.6Very high94.9Very high13 Ų1358.8 Ų58.87%0.0729%0.294CS..Hα-helixtrans-61.8-40.9175.9-76.6-24.3000112.5D64 Y65 V70 Y71 L72 M113 R131 K134D64-D68 PolarHBondContact O-N 2.9Å; D64-D68 VanDerWaalsContact O-N 3.07Å; Y65-D68 PolarHBondContact O-N 2.84Å; D68-V70 VanDerWaalsContact C-N 3.3Å; D68-V70 PolarHBondContact O-N 3.41Å; D68-Y71 PolarHBondContact O-N 3.3Å; D68-L72 WeakPolarHBondContact O-CG 3.45Å; D68-L72 PolarHBondContact O-N 2.64Å; D68-M113 HydrophobicContact CB-CE 4.13Å; D68-R131 IonicContact OD1-NH2 3.65Å; D68-R131 PolarHBondContact OD1-NH2 3.19Å; D68-R131 IonicContact OD2-CZ 2.7Å; D68-R131 IonicContact OD2-NH1 3.38Å; D68-R131 IonicContact OD2-NH2 3Å; D68-R131 PolarHBondContact OD2-NH2 2.86Å; D68-K134 WeakPolarHBondContact OD1-CD 3.4Å; D68-K134 VanDerWaalsContact OD1-CE 3.26Å; D68-K134 WeakPolarHBondContact OD1-CE 3.36Å; D68-K134 IonicContact OD1-NZ 3.72Å; D68-K134 PolarHBondContact OD1-NZ 3.29Å; D68-K134 IonicContact OD2-NZ 3.52Å
69L96Very high94.9Very high123 Ų12354.2 Ų54.264%0.64427%0.271SS*.Hα-helixtrans-60.7-42.1175.3-177.665000111.3Y65 S66 C67 L72 A73Y65-L69 PolarHBondContact O-N 3.25Å; S66-L69 PolarHBondContact O-N 3.21Å; C67-L69 VanDerWaalsContact C-N 3.34Å; C67-L69 PolarHBondContact O-N 3.35Å; L69-L72 PolarHBondContact O-N 2.87Å; L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 2.96Å
70V97.2Very high94.8Very high38 Ų3849.4 Ų49.423%0.2325%0.252CS..Hα-helixtrans-64.2-40.2175.6175.20000111.2I31 I32 P35 S66 C67 D68 A73 D74I31-V70 HydrophobicContact CG2-CG1 4.27Å; I32-V70 HydrophobicContact CG1-CG1 4.39Å; P35-V70 HydrophobicContact CG-CB 4.48Å; P35-V70 HydrophobicContact CG-CG1 4.04Å; S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 2.98Å; S66-V70 VanDerWaalsContact O-N 3.13Å; C67-V70 PolarHBondContact O-N 3.36Å; D68-V70 VanDerWaalsContact C-N 3.3Å; D68-V70 PolarHBondContact O-N 3.41Å; V70-A73 PolarHBondContact O-N 3.36Å; V70-D74 PolarHBondContact O-N 2.99Å
71Y96.4Very high94.7Very high0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-67.5-37176.2-67.3-30.5000113.7I32 P35 V36 N39 C67 D68 D74 M75 M113 R137I32-Y71 HydrophobicContact CG2-CE1 4.31Å; P35-Y71 HydrophobicContact CB-CE1 4.11Å; P35-Y71 HydrophobicContact CG-CE1 3.96Å; P35-Y71 PolarHBondContact O-OH 2.85Å; P35-Y71 VanDerWaalsContact O-OH 3.13Å; V36-Y71 VanDerWaalsContact CA-OH 3.26Å; V36-Y71 WeakPolarHBondContact CA-OH 3.47Å; V36-Y71 HydrophobicContact CG2-CE1 3.8Å; V36-Y71 WeakPolarHBondContact CG2-OH 3.29Å; V36-Y71 PolarHBondContact N-OH 3.44Å; N39-Y71 WeakPolarHBondContact ND2-CE2 3.46Å; N39-Y71 PolarHBondContact ND2-OH 3.35Å; C67-Y71 WeakPolarHBondContact O-CD2 3.37Å; C67-Y71 PolarHBondContact O-N 2.99Å; D68-Y71 PolarHBondContact O-N 3.3Å; Y71-D74 WeakPolarHBondContact O-CB 3.46Å; Y71-D74 PolarHBondContact O-N 3.41Å; Y71-M75 WeakPolarHBondContact O-CG 3.49Å; Y71-M75 PolarHBondContact O-N 2.87Å; Y71-M113 HydrophobicContact CD2-SD 4.26Å; Y71-M113 HydrophobicContact CG-SD 4.46Å; Y71-R137 HydrophobicContact CD1-CG 4.25Å; Y71-R137 HydrophobicContact CD2-CG 4.37Å; Y71-R137 HydrophobicContact CE1-CB 4.21Å; Y71-R137 HydrophobicContact CE1-CG 4.07Å; Y71-R137 HydrophobicContact CE2-CG 4.17Å; Y71-R137 HydrophobicContact CG-CG 4.4Å
72L95.9Very high94.6Very high92 Ų9246.3 Ų46.348%0.48224%0.24SC..Hα-helixtrans-64-43.9172.3-72.9173.5000111.2D68 L69 D74 M75 F76 M113D68-L72 WeakPolarHBondContact O-CG 3.45Å; D68-L72 PolarHBondContact O-N 2.64Å; L69-L72 PolarHBondContact O-N 2.87Å; L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.41Å; L72-M75 PolarHBondContact O-N 2.96Å; L72-F76 PolarHBondContact O-N 3.32Å; L72-F76 VanDerWaalsContact O-N 3.13Å; L72-M113 HydrophobicContact CD1-CE 4.26Å; L72-M113 HydrophobicContact CD2-CE 3.77Å; L72-M113 HydrophobicContact CG-CE 3.69Å
73A95.9Very high94.3Very high37 Ų3743 Ų4331%0.30622%0.22SC..Hα-helixtrans-60.7-37.6173.300000111.6W28 L69 V70 F76 V77W28-A73 HydrophobicContact CH2-CB 3.73Å; W28-A73 HydrophobicContact CZ2-CB 3.85Å; L69-A73 WeakPolarHBondContact O-CB 3.29Å; L69-A73 PolarHBondContact O-N 2.96Å; V70-A73 PolarHBondContact O-N 3.36Å; A73-F76 WeakPolarHBondContact O-CB 3.47Å; A73-F76 PolarHBondContact O-N 2.91Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 2.92Å
74D96.1Very high94Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-63.3-44.9176.6-177.450.5000112W28 I32 V70 Y71 L72 F76 V77 R78 R137 R140W28-D74 HydrophobicContact CZ2-CB 4.4Å; W28-D74 PolarHBondContact NE1-OD1 3Å; I32-D74 HydrophobicContact CD1-CB 3.88Å; I32-D74 WeakPolarHBondContact CD1-OD1 3.3Å; I32-D74 HydrophobicContact CG1-CB 4.25Å; V70-D74 PolarHBondContact O-N 2.99Å; Y71-D74 WeakPolarHBondContact O-CB 3.46Å; Y71-D74 PolarHBondContact O-N 3.41Å; L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.41Å; D74-F76 VanDerWaalsContact C-N 3.25Å; D74-F76 PolarHBondContact O-N 3.2Å; D74-V77 PolarHBondContact O-N 3.39Å; D74-V77 VanDerWaalsContact O-N 3.16Å; D74-R78 WeakPolarHBondContact O-CG 3.47Å; D74-R78 PolarHBondContact O-N 2.91Å; D74-R78 IonicContact OD1-NE 3.78Å; D74-R78 IonicContact OD2-CZ 3.82Å; D74-R78 IonicContact OD2-NE 3.99Å; D74-R78 PolarHBondContact OD2-NE 2.88Å; D74-R78 IonicContact OD2-NH2 2.71Å; D74-R137 IonicContact OD2-NH1 2.59Å; D74-R140 IonicContact OD1-CZ 2.7Å; D74-R140 IonicContact OD1-NE 3.26Å; D74-R140 PolarHBondContact OD1-NE 3.46Å; D74-R140 IonicContact OD1-NH2 3.6Å; D74-R140 PolarHBondContact OD1-NH2 3.4Å; D74-R140 IonicContact OD2-CZ 3.4Å; D74-R140 IonicContact OD2-NE 3.66Å; D74-R140 PolarHBondContact OD2-NE 3.42Å; D74-R140 IonicContact OD2-NH2 2.64Å
75M94.8Very high93.8Very high30 Ų3050 Ų5015%0.14825%0.254CS..Hα-helixtrans-58.9-40.8176-67.9-179.372.600111.1Y71 L72 R78 T79 F106 D109 V110 M113 R137Y71-M75 WeakPolarHBondContact O-CG 3.49Å; Y71-M75 PolarHBondContact O-N 2.87Å; L72-M75 PolarHBondContact O-N 2.96Å; M75-R78 PolarHBondContact O-N 3.49Å; M75-T79 WeakPolarHBondContact O-CG2 3.47Å; M75-T79 PolarHBondContact O-N 3.35Å; M75-F106 HydrophobicContact CE-CD2 4.3Å; M75-F106 HydrophobicContact CE-CE2 3.95Å; M75-D109 HydrophobicContact CE-CB 4.1Å; M75-D109 HydrophobicContact CG-CB 4.15Å; M75-D109 HydrophobicContact SD-CB 4.2Å; M75-V110 HydrophobicContact CE-CG2 3.96Å; M75-M113 HydrophobicContact SD-CG 3.87Å; M75-R137 PolarHBondContact SD-NH2 2.96Å
76F93.6Very high93.5Very high124 Ų12454 Ų5454%0.54428%0.276SS..Hα-helixtrans-63.2-47.8174.3179-100.4000112L72 A73 D74 R78 T79L72-F76 PolarHBondContact O-N 3.32Å; L72-F76 VanDerWaalsContact O-N 3.13Å; A73-F76 WeakPolarHBondContact O-CB 3.47Å; A73-F76 PolarHBondContact O-N 2.91Å; D74-F76 VanDerWaalsContact C-N 3.25Å; D74-F76 PolarHBondContact O-N 3.2Å; F76-R78 VanDerWaalsContact C-N 3.27Å; F76-R78 PolarHBondContact O-N 3.41Å; F76-T79 PolarHBondContact O-N 3.11Å; F76-T79 VanDerWaalsContact O-N 3.14Å; F76-T79 PolarHBondContact O-OG1 3.09Å
77V93.5Very high93Very high20 Ų2054.7 Ų54.712%0.12129%0.291CS..Hα-helixtrans-55.6-43.1177160.50000111.1I18 W28 A73 D74 T79 R80 T81I18-V77 HydrophobicContact CD1-CB 4.24Å; I18-V77 HydrophobicContact CD1-CG1 3.59Å; I18-V77 HydrophobicContact CD1-CG2 4.13Å; W28-V77 HydrophobicContact CD2-CG2 4.36Å; W28-V77 HydrophobicContact CG-CG1 4.39Å; W28-V77 HydrophobicContact CZ2-CG2 4Å; A73-V77 WeakPolarHBondContact O-CG2 3.46Å; A73-V77 PolarHBondContact O-N 2.92Å; D74-V77 PolarHBondContact O-N 3.39Å; D74-V77 VanDerWaalsContact O-N 3.16Å; V77-T79 VanDerWaalsContact C-N 3.34Å; V77-T79 PolarHBondContact O-N 3.5Å; V77-R80 CarbonylContact O-C 3.57Å; V77-R80 WeakPolarHBondContact O-CA 3.35Å; V77-R80 WeakPolarHBondContact O-CB 3.5Å; V77-R80 PolarHBondContact O-N 3.34Å; V77-T81 PolarHBondContact O-N 3.5Å; V77-T81 PolarHBondContact O-OG1 3.31Å; V77-T81 VanDerWaalsContact O-OG1 3.11Å
78R92.1Very high92.7Very high25 Ų2560.5 Ų60.59%0.09432%0.32CS..Hα-helixtrans-64.2-32.9178.9-72.1-175.3-168.1-130.346.4114.2D74 M75 F76 R80 T81 Y100 D109 R140 E143D74-R78 WeakPolarHBondContact O-CG 3.47Å; D74-R78 PolarHBondContact O-N 2.91Å; D74-R78 IonicContact OD1-NE 3.78Å; D74-R78 IonicContact OD2-CZ 3.82Å; D74-R78 IonicContact OD2-NE 3.99Å; D74-R78 PolarHBondContact OD2-NE 2.88Å; D74-R78 IonicContact OD2-NH2 2.71Å; M75-R78 PolarHBondContact O-N 3.49Å; F76-R78 VanDerWaalsContact C-N 3.27Å; F76-R78 PolarHBondContact O-N 3.41Å; R78-R80 PolarHBondContact O-N 2.89Å; R78-R80 VanDerWaalsContact O-N 3.12Å; R78-T81 PolarHBondContact O-N 3.3Å; R78-Y100 HydrophobicContact CB-CD1 4.2Å; R78-Y100 HydrophobicContact CB-CD2 4Å; R78-Y100 HydrophobicContact CB-CE1 3.98Å; R78-Y100 HydrophobicContact CB-CE2 3.82Å; R78-Y100 HydrophobicContact CB-CG 4.19Å; R78-Y100 HydrophobicContact CG-CE2 4.28Å; R78-D109 IonicContact CZ-OD2 3.5Å; R78-D109 IonicContact NE-OD2 3.78Å; R78-D109 IonicContact NH2-OD1 3.48Å; R78-D109 PolarHBondContact NH2-OD1 3.1Å; R78-D109 IonicContact NH2-OD2 3.61Å; R78-R140 VanDerWaalsContact CZ-CZ 3.41Å; R78-R140 VanDerWaalsContact NH2-NE 3.14Å; R78-E143 IonicContact NH1-OE2 3.81Å
79T92.4Very high92.4Very high28 Ų2862.8 Ų62.817%0.17233%0.332CS..THydrogen-bonded Turntrans-64-14.917268.80000113.2M75 F76 V77 R97 Y100M75-T79 WeakPolarHBondContact O-CG2 3.47Å; M75-T79 PolarHBondContact O-N 3.35Å; F76-T79 PolarHBondContact O-N 3.11Å; F76-T79 VanDerWaalsContact O-N 3.14Å; F76-T79 PolarHBondContact O-OG1 3.09Å; V77-T79 VanDerWaalsContact C-N 3.34Å; V77-T79 PolarHBondContact O-N 3.5Å; T79-R97 HydrophobicContact CG2-CG 4.4Å; T79-Y100 HydrophobicContact CG2-CD1 3.91Å; T79-Y100 HydrophobicContact CG2-CE1 4.22Å
80R91.1Very high92.1Very high56 Ų5658 Ų5821%0.21131%0.307CS..THydrogen-bonded Turntrans-114.32.3-179.8-58.1-61.3-171.998.71.4113.4V17 I18 V77 R78V17-R80 WeakPolarHBondContact CA-O 3.41Å; I18-R80 PolarHBondContact N-O 2.98Å; V77-R80 CarbonylContact O-C 3.57Å; V77-R80 WeakPolarHBondContact O-CA 3.35Å; V77-R80 WeakPolarHBondContact O-CB 3.5Å; V77-R80 PolarHBondContact O-N 3.34Å; R78-R80 PolarHBondContact O-N 2.89Å; R78-R80 VanDerWaalsContact O-N 3.12Å
81T91.9Very high91.6Very high20 Ų2062.7 Ų62.712%0.12333%0.325CS..BIsolated β-bridgetrans-80.2124.9178-58.50000109.6P20 Y25 V77 R78 L96P20-T81 HydrophobicContact CB-CG2 4.06Å; Y25-T81 HydrophobicContact CD2-CG2 4.24Å; Y25-T81 HydrophobicContact CE2-CG2 3.88Å; V77-T81 PolarHBondContact O-N 3.5Å; V77-T81 PolarHBondContact O-OG1 3.31Å; V77-T81 VanDerWaalsContact O-OG1 3.11Å; R78-T81 PolarHBondContact O-N 3.3Å; T81-L96 WeakPolarHBondContact O-CD2 3.48Å
82G90.6Very high91.2Very high4 Ų467.2 Ų67.24%0.04135%0.349CS..  trans-67.1152.7177.100000112.2I18 P20I18-G82 PolarHBondContact O-N 3.27Å; P20-G82 WeakPolarHBondContact CD-O 3.33Å; P20-G82 VanDerWaalsContact CG-O 3.26Å; P20-G82 WeakPolarHBondContact CG-O 3.3Å
83Y90Very high90.8Very high49 Ų4966.2 Ų66.219%0.19234%0.342CS..  trans-126.2162.6166.671.3-88.1000109.6E85 V90 L95 L96 N99Y83-E85 HydrophobicContact CE2-CB 3.93Å; Y83-E85 HydrophobicContact CE2-CG 4.48Å; Y83-E85 WeakPolarHBondContact CE2-OE2 3.21Å; Y83-E85 PolarHBondContact OH-OE2 3.03Å; Y83-V90 HydrophobicContact CD1-CB 4.35Å; Y83-V90 HydrophobicContact CD2-CG2 4.35Å; Y83-V90 HydrophobicContact CE1-CB 3.95Å; Y83-V90 HydrophobicContact CE1-CG1 3.94Å; Y83-V90 HydrophobicContact CE1-CG2 4.22Å; Y83-V90 HydrophobicContact CE2-CB 4.36Å; Y83-V90 HydrophobicContact CE2-CG2 3.77Å; Y83-V90 PolarHBondContact O-N 2.99Å; Y83-L95 HydrophobicContact CE1-CG 4.42Å; Y83-L95 WeakPolarHBondContact OH-CD2 3.47Å; Y83-L95 WeakPolarHBondContact OH-CG 3.39Å; Y83-L96 HydrophobicContact CD1-CD2 3.52Å; Y83-L96 HydrophobicContact CE1-CD2 3.76Å; Y83-N99 HydrophobicContact CD1-CB 4.34Å; Y83-N99 HydrophobicContact CE1-CB 4.04Å
84L89.7Confident90.6Very high120 Ų12071.5 Ų71.563%0.62836%0.359SS*.EExtended strand (participates in β ladder)trans-94.5128.2179.1-68.1172000109.8L88 M89L84-L88 WeakPolarHBondContact CA-O 3.49Å; L84-M89 HydrophobicContact CD2-CB 4.31Å
85E89.4Confident90.3Very high98 Ų9875 Ų7546%0.45838%0.377SS..EExtended strand (participates in β ladder)trans-125.9119.1172.1-164.6163.8179.400107.4Y83 G87 L88 V90Y83-E85 HydrophobicContact CE2-CB 3.93Å; Y83-E85 HydrophobicContact CE2-CG 4.48Å; Y83-E85 WeakPolarHBondContact CE2-OE2 3.21Å; Y83-E85 PolarHBondContact OH-OE2 3.03Å; E85-G87 PolarHBondContact O-N 2.99Å; E85-G87 VanDerWaalsContact O-N 3.13Å; E85-L88 PolarHBondContact N-O 3.39Å; E85-L88 PolarHBondContact O-N 3.14Å; E85-V90 HydrophobicContact CB-CG2 3.58Å
86Q89.2Confident90.2Very high198 Ų19873.8 Ų73.893%0.92537%0.371SS*.THydrogen-bonded Turntrans53.432.1-173.9-57.3178.5-33.400114.2L88Q86-L88 PolarHBondContact O-N 2.93Å
87G86.2Confident90.1Very high63 Ų6373.6 Ų73.665%0.64937%0.367SS*.THydrogen-bonded Turntrans79.4-3.3-178.300000114.8E85E85-G87 PolarHBondContact O-N 2.99Å; E85-G87 VanDerWaalsContact O-N 3.13Å
88L88.4Confident90.1Very high132 Ų13275.6 Ų75.669%0.69138%0.377SS*.EExtended strand (participates in β ladder)trans-99.8140.5173.9-66.3177.9000110.9L84 E85 Q86 V90L84-L88 WeakPolarHBondContact CA-O 3.49Å; E85-L88 PolarHBondContact N-O 3.39Å; E85-L88 PolarHBondContact O-N 3.14Å; Q86-L88 PolarHBondContact O-N 2.93Å; L88-V90 PolarHBondContact O-N 3.36Å
89M88.9Confident90.1Very high62 Ų6278.5 Ų78.531%0.30539%0.394SS..EExtended strand (participates in β ladder)trans-77.7117177.4-173.6-179-65.100110.2N19 L84N19-M89 HydrophobicContact CB-CE 3.9Å; N19-M89 HydrophobicContact CB-SD 4.43Å; N19-M89 WeakPolarHBondContact OD1-CE 3.48Å; L84-M89 HydrophobicContact CD2-CB 4.31Å
90V89.9Confident90.2Very high22 Ų2277.9 Ų77.913%0.13339%0.389CS..PPolyproline II helixtrans-70.8129.7172.3-179.80000109.2Y83 E85 L88 L95 L96Y83-V90 HydrophobicContact CD1-CB 4.35Å; Y83-V90 HydrophobicContact CD2-CG2 4.35Å; Y83-V90 HydrophobicContact CE1-CB 3.95Å; Y83-V90 HydrophobicContact CE1-CG1 3.94Å; Y83-V90 HydrophobicContact CE1-CG2 4.22Å; Y83-V90 HydrophobicContact CE2-CB 4.36Å; Y83-V90 HydrophobicContact CE2-CG2 3.77Å; Y83-V90 PolarHBondContact O-N 2.99Å; E85-V90 HydrophobicContact CB-CG2 3.58Å; L88-V90 PolarHBondContact O-N 3.36Å; V90-L95 HydrophobicContact CG1-CB 4.22Å; V90-L95 HydrophobicContact CG1-CD2 3.72Å; V90-L95 HydrophobicContact CG1-CG 4.25Å; V90-L96 HydrophobicContact CB-CD2 4.38Å; V90-L96 HydrophobicContact CG1-CD2 4.21Å
91K87Confident90.3Very high137 Ų13778.3 Ų78.360%0.59640%0.397SS*.  trans-118.3-2.4-179.8-61.8-176.2-176.3178.90114.2V17 M93V17-K91 HydrophobicContact CG2-CB 4.04Å; V17-K91 HydrophobicContact CG2-CG 4.42Å; K91-M93 PolarHBondContact O-N 3.38Å
92D89.4Confident90.4Very high95 Ų9585.4 Ų85.451%0.50843%0.426SS..  trans-72117.1179.6-172.1-26.1000111.2K94 L95 L96D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 3.13Å; D92-K94 PolarHBondContact OD1-N 3.02Å; D92-L95 HydrophobicContact CB-CB 4.13Å; D92-L95 PolarHBondContact O-N 3.08Å; D92-L95 VanDerWaalsContact O-N 3.09Å; D92-L96 WeakPolarHBondContact O-CG 3.32Å; D92-L96 PolarHBondContact O-N 2.91Å
93M87.3Confident90.6Very high70 Ų7086.9 Ų86.935%0.34544%0.436SS..Hα-helixtrans-55.7-35.8-178.5-176.7175.5172.900113.8I15 K91 R97I15-M93 HydrophobicContact CD1-CB 4.25Å; K91-M93 PolarHBondContact O-N 3.38Å; M93-R97 WeakPolarHBondContact O-CB 3.42Å; M93-R97 PolarHBondContact O-N 3.5Å; M93-R97 VanDerWaalsContact O-N 3.11Å
94K90.3Very high90.7Very high148 Ų14891.3 Ų91.364%0.64346%0.457SS*.Hα-helixtrans-67.8-45.2178.5-70.6-178.5-178.71770110.2D92 R97 D98D92-K94 VanDerWaalsContact C-N 3.26Å; D92-K94 PolarHBondContact O-N 3.13Å; D92-K94 PolarHBondContact OD1-N 3.02Å; K94-R97 PolarHBondContact O-N 2.78Å; K94-D98 WeakPolarHBondContact O-CB 3.26Å; K94-D98 PolarHBondContact O-N 3.05Å
95L90.8Very high90.8Very high75 Ų7587.6 Ų87.639%0.39344%0.436SS..Hα-helixtrans-67.8-39.9-178.1-160.860000111.8Y83 V90 D92 D98 N99Y83-L95 HydrophobicContact CE1-CG 4.42Å; Y83-L95 WeakPolarHBondContact OH-CD2 3.47Å; Y83-L95 WeakPolarHBondContact OH-CG 3.39Å; V90-L95 HydrophobicContact CG1-CB 4.22Å; V90-L95 HydrophobicContact CG1-CD2 3.72Å; V90-L95 HydrophobicContact CG1-CG 4.25Å; D92-L95 HydrophobicContact CB-CB 4.13Å; D92-L95 PolarHBondContact O-N 3.08Å; D92-L95 VanDerWaalsContact O-N 3.09Å; L95-D98 PolarHBondContact O-N 3.07Å; L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.41Å; L95-N99 PolarHBondContact O-N 3.09Å
96L91.8Very high91Very high3 Ų385.4 Ų85.42%0.01643%0.425CS..Hα-helixtrans-60.7-48.5174.1-63.1-175.3000112.1V17 T81 Y83 V90 D92 N99 Y100V17-L96 HydrophobicContact CG1-CD1 3.84Å; V17-L96 HydrophobicContact CG2-CD1 4.02Å; T81-L96 WeakPolarHBondContact O-CD2 3.48Å; Y83-L96 HydrophobicContact CD1-CD2 3.52Å; Y83-L96 HydrophobicContact CE1-CD2 3.76Å; V90-L96 HydrophobicContact CB-CD2 4.38Å; V90-L96 HydrophobicContact CG1-CD2 4.21Å; D92-L96 WeakPolarHBondContact O-CG 3.32Å; D92-L96 PolarHBondContact O-N 2.91Å; L96-N99 PolarHBondContact O-N 2.91Å; L96-Y100 PolarHBondContact O-N 2.94Å
97R92.3Very high91.3Very high120 Ų12083.9 Ų83.945%0.45341%0.411SS..Hα-helixtrans-63.3-46.5179-175.8-168.866.5-172.9-0.5111.3T79 M93 K94 N99 Y100 V101T79-R97 HydrophobicContact CG2-CG 4.4Å; M93-R97 WeakPolarHBondContact O-CB 3.42Å; M93-R97 PolarHBondContact O-N 3.5Å; M93-R97 VanDerWaalsContact O-N 3.11Å; K94-R97 PolarHBondContact O-N 2.78Å; R97-N99 VanDerWaalsContact C-N 3.3Å; R97-N99 PolarHBondContact O-N 3.4Å; R97-Y100 PolarHBondContact O-N 3.25Å; R97-V101 HydrophobicContact CG-CG2 4.17Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.31Å; R97-V101 WeakPolarHBondContact O-CG2 3.14Å; R97-V101 PolarHBondContact O-N 3.2Å
98D93.1Very high91.7Very high63 Ų6382.8 Ų82.834%0.33739%0.39SS..Hα-helixtrans-67.4-35.2-177-66.8-4.3000111K94 L95 K102K94-D98 WeakPolarHBondContact O-CB 3.26Å; K94-D98 PolarHBondContact O-N 3.05Å; L95-D98 PolarHBondContact O-N 3.07Å; D98-K102 WeakPolarHBondContact O-CB 3.03Å; D98-K102 WeakPolarHBondContact O-CD 2.71Å; D98-K102 WeakPolarHBondContact O-CG 3.44Å; D98-K102 PolarHBondContact O-N 3.18Å; D98-K102 VanDerWaalsContact O-N 3.11Å
99N92.6Very high92.1Very high85 Ų8576.5 Ų76.546%0.45536%0.357SS..Hα-helixtrans-61.9-46.8170.9-175.551.9000111.7Y83 L95 L96 R97 S103Y83-N99 HydrophobicContact CD1-CB 4.34Å; Y83-N99 HydrophobicContact CE1-CB 4.04Å; L95-N99 VanDerWaalsContact O-CB 3.25Å; L95-N99 WeakPolarHBondContact O-CB 3.41Å; L95-N99 PolarHBondContact O-N 3.09Å; L96-N99 PolarHBondContact O-N 2.91Å; R97-N99 VanDerWaalsContact C-N 3.3Å; R97-N99 PolarHBondContact O-N 3.4Å; N99-S103 PolarHBondContact O-N 3.07Å
100Y93.6Very high92.4Very high16 Ų1676.5 Ų76.56%0.06336%0.36CS..Hα-helixtrans-63.9-48.4177.2174.9-125.7000112.2R78 T79 L96 R97 K102 S103 F106 D109R78-Y100 HydrophobicContact CB-CD1 4.2Å; R78-Y100 HydrophobicContact CB-CD2 4Å; R78-Y100 HydrophobicContact CB-CE1 3.98Å; R78-Y100 HydrophobicContact CB-CE2 3.82Å; R78-Y100 HydrophobicContact CB-CG 4.19Å; R78-Y100 HydrophobicContact CG-CE2 4.28Å; T79-Y100 HydrophobicContact CG2-CD1 3.91Å; T79-Y100 HydrophobicContact CG2-CE1 4.22Å; L96-Y100 PolarHBondContact O-N 2.94Å; R97-Y100 PolarHBondContact O-N 3.25Å; Y100-K102 VanDerWaalsContact C-N 3.26Å; Y100-K102 PolarHBondContact O-N 2.91Å; Y100-S103 VanDerWaalsContact O-CB 3.24Å; Y100-S103 WeakPolarHBondContact O-CB 3.39Å; Y100-S103 PolarHBondContact O-N 2.88Å; Y100-S103 PolarHBondContact O-OG 3.3Å; Y100-F106 AromaticContact CD1-CD2 3.94Å; Y100-F106 HydrophobicContact CD1-CD2 3.94Å; Y100-F106 HydrophobicContact CD2-CB 4.24Å; Y100-F106 AromaticContact CE1-CD2 3.4Å; Y100-F106 HydrophobicContact CE1-CD2 3.4Å; Y100-F106 VanDerWaalsContact CE1-CD2 3.4Å; Y100-F106 HydrophobicContact CE1-CE2 4Å; Y100-F106 HydrophobicContact CE1-CG 4.38Å; Y100-F106 HydrophobicContact CE2-CB 3.97Å; Y100-F106 HydrophobicContact CE2-CD2 4.25Å; Y100-F106 AromaticContact CZ-CD2 3.58Å; Y100-F106 WeakPolarHBondContact O-CB 3.33Å; Y100-D109 WeakPolarHBondContact CE2-OD2 3.45Å; Y100-D109 PolarHBondContact OH-OD2 3.31Å
101V94.7Very high92.6Very high64 Ų6479.4 Ų79.439%0.38838%0.375SS..Hα-helixtrans-62.7-32.5-178171.10000112.5R97 S103 F106R97-V101 HydrophobicContact CG-CG2 4.17Å; R97-V101 WeakPolarHBondContact O-CB 3.36Å; R97-V101 VanDerWaalsContact O-CG2 3.31Å; R97-V101 WeakPolarHBondContact O-CG2 3.14Å; R97-V101 PolarHBondContact O-N 3.2Å; V101-S103 VanDerWaalsContact C-N 3.32Å; V101-F106 HydrophobicContact CB-CD1 4.33Å; V101-F106 HydrophobicContact CB-CE1 4.38Å; V101-F106 HydrophobicContact CG1-CD1 4.15Å; V101-F106 HydrophobicContact CG1-CE1 3.93Å; V101-F106 HydrophobicContact CG2-CE1 4.27Å; V101-F106 HydrophobicContact CG2-CE2 4.35Å; V101-F106 HydrophobicContact CG2-CZ 4.17Å; V101-F106 WeakPolarHBondContact O-CD1 3.45Å
102K94.3Very high93Very high169 Ų16972.9 Ų72.974%0.73535%0.346SS*.Hα-helixtrans-76.1-19.6175-71.4172.5-176.3175.70113.2D98 Y100D98-K102 WeakPolarHBondContact O-CB 3.03Å; D98-K102 WeakPolarHBondContact O-CD 2.71Å; D98-K102 WeakPolarHBondContact O-CG 3.44Å; D98-K102 PolarHBondContact O-N 3.18Å; D98-K102 VanDerWaalsContact O-N 3.11Å; Y100-K102 VanDerWaalsContact C-N 3.26Å; Y100-K102 PolarHBondContact O-N 2.91Å
103S93.3Very high93.2Very high36 Ų3670.1 Ų70.125%0.25233%0.331SS..SBendtrans-67.4147.7-177.978.80000112.2N99 Y100 V101 Q105 F106N99-S103 PolarHBondContact O-N 3.07Å; Y100-S103 VanDerWaalsContact O-CB 3.24Å; Y100-S103 WeakPolarHBondContact O-CB 3.39Å; Y100-S103 PolarHBondContact O-N 2.88Å; Y100-S103 PolarHBondContact O-OG 3.3Å; V101-S103 VanDerWaalsContact C-N 3.32Å; S103-Q105 PolarHBondContact O-N 2.74Å; S103-F106 PolarHBondContact O-N 3.18Å; S103-F106 PolarHBondContact OG-N 3.44Å
104F92.7Very high93.5Very high141 Ų14170.7 Ų70.762%0.61834%0.335SS*.Hα-helixtrans-59.9-33.7172.3-178.4-108.4000111.9F106 R107 L108F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 2.94Å; F104-R107 WeakPolarHBondContact O-CB 3.4Å; F104-R107 PolarHBondContact O-N 3.06Å; F104-R107 VanDerWaalsContact O-N 3.09Å; F104-L108 HydrophobicContact CD1-CD1 4.11Å; F104-L108 HydrophobicContact CD1-CG 4.36Å; F104-L108 HydrophobicContact CE1-CD1 3.74Å; F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 HydrophobicContact CE1-CG 3.98Å; F104-L108 HydrophobicContact CZ-CD2 4.18Å; F104-L108 HydrophobicContact CZ-CG 4.36Å; F104-L108 PolarHBondContact O-N 2.73Å
105Q91.9Very high93.4Very high42 Ų4267.9 Ų67.920%0.19633%0.332CS..Hα-helixtrans-59.5-38.5178-175.46343.100112.7S103 R107 L108 D109S103-Q105 PolarHBondContact O-N 2.74Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 3.18Å; Q105-L108 PolarHBondContact O-N 3.06Å; Q105-D109 PolarHBondContact NE2-OD1 2.93Å; Q105-D109 WeakPolarHBondContact O-CB 3.32Å; Q105-D109 PolarHBondContact O-N 2.98Å
106F94.3Very high93.5Very high52 Ų5265.9 Ų65.923%0.22832%0.323CS..Hα-helixtrans-62-36176.8176.3-107.6000112.2M75 Y100 V101 S103 F104 D109 V110M75-F106 HydrophobicContact CE-CD2 4.3Å; M75-F106 HydrophobicContact CE-CE2 3.95Å; Y100-F106 AromaticContact CD1-CD2 3.94Å; Y100-F106 HydrophobicContact CD1-CD2 3.94Å; Y100-F106 HydrophobicContact CD2-CB 4.24Å; Y100-F106 AromaticContact CE1-CD2 3.4Å; Y100-F106 HydrophobicContact CE1-CD2 3.4Å; Y100-F106 VanDerWaalsContact CE1-CD2 3.4Å; Y100-F106 HydrophobicContact CE1-CE2 4Å; Y100-F106 HydrophobicContact CE1-CG 4.38Å; Y100-F106 HydrophobicContact CE2-CB 3.97Å; Y100-F106 HydrophobicContact CE2-CD2 4.25Å; Y100-F106 AromaticContact CZ-CD2 3.58Å; Y100-F106 WeakPolarHBondContact O-CB 3.33Å; V101-F106 HydrophobicContact CB-CD1 4.33Å; V101-F106 HydrophobicContact CB-CE1 4.38Å; V101-F106 HydrophobicContact CG1-CD1 4.15Å; V101-F106 HydrophobicContact CG1-CE1 3.93Å; V101-F106 HydrophobicContact CG2-CE1 4.27Å; V101-F106 HydrophobicContact CG2-CE2 4.35Å; V101-F106 HydrophobicContact CG2-CZ 4.17Å; V101-F106 WeakPolarHBondContact O-CD1 3.45Å; S103-F106 PolarHBondContact O-N 3.18Å; S103-F106 PolarHBondContact OG-N 3.44Å; F104-F106 VanDerWaalsContact C-N 3.3Å; F104-F106 PolarHBondContact O-N 2.94Å; F106-D109 PolarHBondContact O-N 3.3Å; F106-V110 HydrophobicContact CD1-CG2 4.28Å; F106-V110 HydrophobicContact CD2-CG2 4.21Å; F106-V110 HydrophobicContact CE1-CG2 3.85Å; F106-V110 HydrophobicContact CE2-CG2 3.8Å; F106-V110 HydrophobicContact CG-CG2 4.46Å; F106-V110 HydrophobicContact CZ-CG2 3.6Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 3.02Å
107R95Very high93.3Very high167 Ų16766.6 Ų66.663%0.6333%0.327SS*.Hα-helixtrans-63.8-43.5175.9-57.9-179.3-175.8174.70.7111.5F104 Q105 V110 L111F104-R107 WeakPolarHBondContact O-CB 3.4Å; F104-R107 PolarHBondContact O-N 3.06Å; F104-R107 VanDerWaalsContact O-N 3.09Å; Q105-R107 VanDerWaalsContact C-N 3.27Å; Q105-R107 PolarHBondContact O-N 3.18Å; R107-V110 PolarHBondContact O-N 3.37Å; R107-L111 WeakPolarHBondContact O-CB 3.21Å; R107-L111 PolarHBondContact O-N 3.28Å
108L94.9Very high93.1Very high39 Ų3965 Ų6520%0.20433%0.33CS..Hα-helixtrans-64-41.8174.6-63.5-179.8000111.6F104 Q105 V110 L111 S112F104-L108 HydrophobicContact CD1-CD1 4.11Å; F104-L108 HydrophobicContact CD1-CG 4.36Å; F104-L108 HydrophobicContact CE1-CD1 3.74Å; F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 HydrophobicContact CE1-CG 3.98Å; F104-L108 HydrophobicContact CZ-CD2 4.18Å; F104-L108 HydrophobicContact CZ-CG 4.36Å; F104-L108 PolarHBondContact O-N 2.73Å; Q105-L108 PolarHBondContact O-N 3.06Å; L108-V110 PolarHBondContact O-N 3.09Å; L108-L111 PolarHBondContact O-N 3.26Å; L108-S112 WeakPolarHBondContact O-CB 3.36Å; L108-S112 PolarHBondContact O-N 3.11Å; L108-S112 PolarHBondContact O-OG 3.28Å
109D95.1Very high93.1Very high0 Ų065.8 Ų65.80%033%0.334CS..Hα-helixtrans-63-43.3179.3-68.6-18.3000111.1M75 R78 Y100 Q105 F106 S112 M113 R137M75-D109 HydrophobicContact CE-CB 4.1Å; M75-D109 HydrophobicContact CG-CB 4.15Å; M75-D109 HydrophobicContact SD-CB 4.2Å; R78-D109 IonicContact CZ-OD2 3.5Å; R78-D109 IonicContact NE-OD2 3.78Å; R78-D109 IonicContact NH2-OD1 3.48Å; R78-D109 PolarHBondContact NH2-OD1 3.1Å; R78-D109 IonicContact NH2-OD2 3.61Å; Y100-D109 WeakPolarHBondContact CE2-OD2 3.45Å; Y100-D109 PolarHBondContact OH-OD2 3.31Å; Q105-D109 PolarHBondContact NE2-OD1 2.93Å; Q105-D109 WeakPolarHBondContact O-CB 3.32Å; Q105-D109 PolarHBondContact O-N 2.98Å; F106-D109 PolarHBondContact O-N 3.3Å; D109-S112 PolarHBondContact O-OG 2.82Å; D109-M113 WeakPolarHBondContact O-CG 3.08Å; D109-M113 PolarHBondContact O-N 2.9Å; D109-R137 PolarHBondContact O-NH2 3.24Å; D109-R137 IonicContact OD1-CZ 2.64Å; D109-R137 IonicContact OD1-NE 3.58Å; D109-R137 IonicContact OD1-NH1 3.95Å; D109-R137 PolarHBondContact OD1-NH1 2.68Å; D109-R137 IonicContact OD2-NH1 2.95Å; D109-R137 PolarHBondContact OD2-NH1 3.37Å
110V95.5Very high92.9Very high62 Ų6262.9 Ų62.938%0.37632%0.317SS..Hα-helixtrans-65.1-46.4174.5171.50000111.4M75 F106 R107 L108 S112 M113 L114M75-V110 HydrophobicContact CE-CG2 3.96Å; F106-V110 HydrophobicContact CD1-CG2 4.28Å; F106-V110 HydrophobicContact CD2-CG2 4.21Å; F106-V110 HydrophobicContact CE1-CG2 3.85Å; F106-V110 HydrophobicContact CE2-CG2 3.8Å; F106-V110 HydrophobicContact CG-CG2 4.46Å; F106-V110 HydrophobicContact CZ-CG2 3.6Å; F106-V110 WeakPolarHBondContact O-CG2 3.41Å; F106-V110 PolarHBondContact O-N 3.02Å; R107-V110 PolarHBondContact O-N 3.37Å; L108-V110 PolarHBondContact O-N 3.09Å; V110-S112 VanDerWaalsContact C-N 3.28Å; V110-S112 PolarHBondContact O-N 3.46Å; V110-M113 CarbonylContact O-C 3.44Å; V110-M113 PolarHBondContact O-N 3.5Å; V110-L114 PolarHBondContact O-N 3.48Å
111L95.6Very high92.8Very high83 Ų8370.9 Ų70.944%0.43535%0.352SS..Hα-helixtrans-61.2-38.1-179.6-173.359.1000111.9R107 L108 M113 L114 N133 L136R107-L111 WeakPolarHBondContact O-CB 3.21Å; R107-L111 PolarHBondContact O-N 3.28Å; L108-L111 PolarHBondContact O-N 3.26Å; L111-M113 PolarHBondContact O-N 2.75Å; L111-L114 HydrophobicContact CD1-CD1 3.61Å; L111-L114 HydrophobicContact CD1-CG 4.38Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-N133 PolarHBondContact O-ND2 2.73Å; L111-L136 HydrophobicContact CB-CD1 3.9Å; L111-L136 HydrophobicContact CD2-CD1 3.5Å; L111-L136 HydrophobicContact CG-CD1 3.46Å; L111-L136 VanDerWaalsContact CG-CD1 3.46Å
112S94.9Very high92.6Very high0 Ų073.2 Ų73.20%037%0.366CS..Hα-helixtrans-68.6-20.6175.2750000114.3L108 D109 V110 N133 K134 R137L108-S112 WeakPolarHBondContact O-CB 3.36Å; L108-S112 PolarHBondContact O-N 3.11Å; L108-S112 PolarHBondContact O-OG 3.28Å; D109-S112 PolarHBondContact O-OG 2.82Å; V110-S112 VanDerWaalsContact C-N 3.28Å; V110-S112 PolarHBondContact O-N 3.46Å; S112-N133 WeakPolarHBondContact CA-O 3.33Å; S112-N133 WeakPolarHBondContact CB-O 3.14Å; S112-N133 PolarHBondContact O-ND2 2.84Å; S112-K134 VanDerWaalsContact O-CD 3.3Å; S112-K134 WeakPolarHBondContact O-CD 3.28Å; S112-K134 WeakPolarHBondContact O-CE 3.5Å; S112-K134 PolarHBondContact O-NZ 3.04Å; S112-K134 VanDerWaalsContact O-NZ 3.07Å; S112-R137 PolarHBondContact OG-NE 3.39Å; S112-R137 PolarHBondContact OG-NH2 3.11Å
113M94.1Very high92.3Very high37 Ų3771 Ų7118%0.18236%0.357CS..THydrogen-bonded Turntrans-101.34.8-179.7-68.5-54.2-50.600113.3D68 Y71 L72 M75 D109 V110 L111 R137D68-M113 HydrophobicContact CB-CE 4.13Å; Y71-M113 HydrophobicContact CD2-SD 4.26Å; Y71-M113 HydrophobicContact CG-SD 4.46Å; L72-M113 HydrophobicContact CD1-CE 4.26Å; L72-M113 HydrophobicContact CD2-CE 3.77Å; L72-M113 HydrophobicContact CG-CE 3.69Å; M75-M113 HydrophobicContact SD-CG 3.87Å; D109-M113 WeakPolarHBondContact O-CG 3.08Å; D109-M113 PolarHBondContact O-N 2.9Å; V110-M113 CarbonylContact O-C 3.44Å; V110-M113 PolarHBondContact O-N 3.5Å; L111-M113 PolarHBondContact O-N 2.75Å; M113-R137 VanDerWaalsContact CG-NH2 3.33Å
114L93.2Very high92Very high82 Ų8270.5 Ų70.543%0.42936%0.358SS..SBendtrans-55133.4170-69.3-175.1000109.5V110 L111 T116 N133V110-L114 PolarHBondContact O-N 3.48Å; L111-L114 HydrophobicContact CD1-CD1 3.61Å; L111-L114 HydrophobicContact CD1-CG 4.38Å; L111-L114 PolarHBondContact O-N 3.27Å; L114-T116 HydrophobicContact CB-CG2 4.39Å; L114-T116 PolarHBondContact O-N 2.91Å; L114-N133 PolarHBondContact O-ND2 3.25Å; L114-N133 VanDerWaalsContact O-ND2 3.09Å
115P88.6Confident91.7Very high90 Ų9067.7 Ų67.758%0.58435%0.349SS*.  trans-77.962.1-176.434.2-37.3000110.4D117 V118P115-D117 PolarHBondContact O-N 3.38Å; P115-V118 HydrophobicContact CB-CG2 4.24Å; P115-V118 WeakPolarHBondContact O-CG2 3.32Å; P115-V118 PolarHBondContact O-N 3.43Å
116T91.2Very high91.5Very high33 Ų3370.4 Ų70.420%0.20236%0.361CS..G310 helixtrans-61.1-24.1177.450.70000111.5L114 V118 L119 I130 N133L114-T116 HydrophobicContact CB-CG2 4.39Å; L114-T116 PolarHBondContact O-N 2.91Å; T116-V118 PolarHBondContact O-N 3.31Å; T116-L119 WeakPolarHBondContact O-CB 3.44Å; T116-L119 VanDerWaalsContact O-CG 3.31Å; T116-L119 WeakPolarHBondContact O-CG 3.35Å; T116-L119 PolarHBondContact O-N 3.24Å; T116-I130 VanDerWaalsContact CB-O 3.27Å; T116-I130 WeakPolarHBondContact CB-O 3.36Å; T116-I130 WeakPolarHBondContact O-CG2 3.45Å; T116-I130 PolarHBondContact OG1-O 2.91Å; T116-N133 PolarHBondContact OG1-OD1 2.92Å
117D87.6Confident91.2Very high18 Ų1873.2 Ų73.210%0.09637%0.371CS..G310 helixtrans-54.5-23.6173.4-56.6-28.9000114.7P115 L119 Y120 R131P115-D117 PolarHBondContact O-N 3.38Å; D117-L119 PolarHBondContact O-N 2.79Å; D117-L119 VanDerWaalsContact O-N 3.13Å; D117-Y120 HydrophobicContact CB-CD2 3.84Å; D117-Y120 HydrophobicContact CB-CE2 4.04Å; D117-Y120 WeakPolarHBondContact O-CB 3.43Å; D117-Y120 WeakPolarHBondContact O-CD2 3.42Å; D117-Y120 PolarHBondContact O-N 3.32Å; D117-R131 VanDerWaalsContact OD1-CG 3.26Å; D117-R131 WeakPolarHBondContact OD1-CG 3.47Å; D117-R131 IonicContact OD1-CZ 3.93Å; D117-R131 IonicContact OD1-NE 2.76Å; D117-R131 IonicContact OD1-NH1 3.68Å; D117-R131 PolarHBondContact OD1-NH1 3.38Å; D117-R131 IonicContact OD2-CZ 3.67Å; D117-R131 IonicContact OD2-NH1 2.95Å; D117-R131 PolarHBondContact OD2-NH1 2.92Å
118V89.7Confident91.1Very high86 Ų8665.4 Ų65.452%0.52134%0.342SS..G310 helixtrans-58.3-26.9173.9176.10000110.8P115 T116 Y120 F121P115-V118 HydrophobicContact CB-CG2 4.24Å; P115-V118 WeakPolarHBondContact O-CG2 3.32Å; P115-V118 PolarHBondContact O-N 3.43Å; T116-V118 PolarHBondContact O-N 3.31Å; V118-Y120 PolarHBondContact O-N 3.36Å; V118-F121 HydrophobicContact CG1-CD2 4.34Å; V118-F121 VanDerWaalsContact O-CD2 3.32Å; V118-F121 WeakPolarHBondContact O-CD2 3.28Å; V118-F121 PolarHBondContact O-N 3.49Å; V118-F121 VanDerWaalsContact O-N 3.16Å
119L91.4Very high90.9Very high79 Ų7967.4 Ų67.441%0.41435%0.35SS..G310 helixtrans-66.5-17.2175.1-61.1178.5000113T116 D117 F121 V122 F123 I130T116-L119 WeakPolarHBondContact O-CB 3.44Å; T116-L119 VanDerWaalsContact O-CG 3.31Å; T116-L119 WeakPolarHBondContact O-CG 3.35Å; T116-L119 PolarHBondContact O-N 3.24Å; D117-L119 PolarHBondContact O-N 2.79Å; D117-L119 VanDerWaalsContact O-N 3.13Å; L119-F121 PolarHBondContact O-N 3.3Å; L119-V122 PolarHBondContact O-N 3.34Å; L119-F123 HydrophobicContact CB-CD2 3.93Å; L119-F123 HydrophobicContact CB-CE2 4.17Å; L119-F123 HydrophobicContact CD2-CE2 4.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.32Å; L119-F123 PolarHBondContact O-N 3.49Å; L119-I130 HydrophobicContact CB-CD1 4.09Å; L119-I130 HydrophobicContact CB-CG2 4.05Å; L119-I130 HydrophobicContact CD1-CG2 4.34Å
120Y90.1Very high90.8Very high24 Ų2468.7 Ų68.79%0.09436%0.357CS..Hα-helixtrans-61.5-26.2171.1-71.5-50.2000113.2D117 V118 V122 G124 L125 Y127 I130 R131D117-Y120 HydrophobicContact CB-CD2 3.84Å; D117-Y120 HydrophobicContact CB-CE2 4.04Å; D117-Y120 WeakPolarHBondContact O-CB 3.43Å; D117-Y120 WeakPolarHBondContact O-CD2 3.42Å; D117-Y120 PolarHBondContact O-N 3.32Å; V118-Y120 PolarHBondContact O-N 3.36Å; Y120-V122 PolarHBondContact O-N 3.47Å; Y120-G124 VanDerWaalsContact CD1-O 3.32Å; Y120-G124 WeakPolarHBondContact CD1-O 3.44Å; Y120-G124 CarbonylContact O-C 3.57Å; Y120-G124 WeakPolarHBondContact O-CA 3.37Å; Y120-G124 PolarHBondContact O-N 3Å; Y120-L125 HydrophobicContact CD1-CD2 4.41Å; Y120-L125 HydrophobicContact CD2-CD2 4.37Å; Y120-L125 HydrophobicContact CG-CD2 4.01Å; Y120-Y127 VanDerWaalsContact CE1-O 3.22Å; Y120-Y127 WeakPolarHBondContact CE1-O 3.4Å; Y120-I130 HydrophobicContact CD1-CD1 3.91Å; Y120-I130 HydrophobicContact CE1-CB 4.38Å; Y120-I130 HydrophobicContact CE1-CD1 3.98Å; Y120-R131 HydrophobicContact CE2-CG 4.46Å; Y120-R131 WeakPolarHBondContact OH-CD 3.26Å
121F90.1Very high90.8Very high184 Ų18465.9 Ų65.981%0.80734%0.339SS*.Hα-helixtrans-68.8-22.6174-66.5-67.1000112.7V118 L119V118-F121 HydrophobicContact CG1-CD2 4.34Å; V118-F121 VanDerWaalsContact O-CD2 3.32Å; V118-F121 WeakPolarHBondContact O-CD2 3.28Å; V118-F121 PolarHBondContact O-N 3.49Å; V118-F121 VanDerWaalsContact O-N 3.16Å; L119-F121 PolarHBondContact O-N 3.3Å
122V91.3Very high90.7Very high113 Ų11366.9 Ų66.969%0.68534%0.344SS*.Hα-helixtrans-98.1-48-178.5-178.50000111.1L119 Y120L119-V122 PolarHBondContact O-N 3.34Å; Y120-V122 PolarHBondContact O-N 3.47Å
123F87.9Confident90.7Very high122 Ų12267.8 Ų67.854%0.53535%0.349SS..Hα-helixtrans-93.4-13.4-175-61.1-74000113.5L119 Y127 I130L119-F123 HydrophobicContact CB-CD2 3.93Å; L119-F123 HydrophobicContact CB-CE2 4.17Å; L119-F123 HydrophobicContact CD2-CE2 4.28Å; L119-F123 WeakPolarHBondContact O-CD2 3.32Å; L119-F123 PolarHBondContact O-N 3.49Å; F123-Y127 HydrophobicContact CB-CD2 3.91Å; F123-Y127 HydrophobicContact CB-CE2 4.41Å; F123-Y127 VanDerWaalsContact O-CD2 3.23Å; F123-Y127 WeakPolarHBondContact O-CD2 3.45Å; F123-Y127 WeakPolarHBondContact O-CE2 3.32Å; F123-I130 HydrophobicContact CB-CD1 4.24Å; F123-I130 HydrophobicContact CD2-CD1 4.21Å
124G87.3Confident90.7Very high27 Ų2766.1 Ų66.128%0.27834%0.341SS..  trans85.4164.6-174.600000113.1Y120 H126Y120-G124 VanDerWaalsContact CD1-O 3.32Å; Y120-G124 WeakPolarHBondContact CD1-O 3.44Å; Y120-G124 CarbonylContact O-C 3.57Å; Y120-G124 WeakPolarHBondContact O-CA 3.37Å; Y120-G124 PolarHBondContact O-N 3Å; G124-H126 PolarHBondContact O-N 3.39Å; G124-H126 VanDerWaalsContact O-N 3.14Å
125L86.7Confident90.8Very high81 Ų8163.1 Ų63.142%0.42433%0.325SS..THydrogen-bonded Turntrans-76.64.4-171.6-62167000114.5Q53 I57 Y120Q53-L125 PolarHBondContact NE2-O 2.87Å; I57-L125 HydrophobicContact CD1-CB 3.56Å; I57-L125 HydrophobicContact CD1-CD1 4.1Å; I57-L125 HydrophobicContact CD1-CG 4.46Å; Y120-L125 HydrophobicContact CD1-CD2 4.41Å; Y120-L125 HydrophobicContact CD2-CD2 4.37Å; Y120-L125 HydrophobicContact CG-CD2 4.01Å
126H86.6Confident91.2Very high100 Ų10061.6 Ų61.646%0.46331%0.312SS..THydrogen-bonded Turntrans-86.7-7.5-174.9-62.4-65.2000114.2G124 P128G124-H126 PolarHBondContact O-N 3.39Å; G124-H126 VanDerWaalsContact O-N 3.14Å; H126-P128 VanDerWaalsContact C-CD 3.49Å; H126-P128 WeakPolarHBondContact O-CD 3.32Å
127Y89.6Confident91.3Very high111 Ų11160 Ų6044%0.43530%0.302SS..  trans-110.177.2-172.8-63.3-71.3000112.7Y120 F123 E129 I130Y120-Y127 VanDerWaalsContact CE1-O 3.22Å; Y120-Y127 WeakPolarHBondContact CE1-O 3.4Å; F123-Y127 HydrophobicContact CB-CD2 3.91Å; F123-Y127 HydrophobicContact CB-CE2 4.41Å; F123-Y127 VanDerWaalsContact O-CD2 3.23Å; F123-Y127 WeakPolarHBondContact O-CD2 3.45Å; F123-Y127 WeakPolarHBondContact O-CE2 3.32Å; Y127-E129 WeakPolarHBondContact CA-OE2 3.36Å; Y127-E129 WeakPolarHBondContact CD1-OE1 3.32Å; Y127-E129 PolarHBondContact O-N 3.05Å; Y127-I130 WeakPolarHBondContact O-CG1 3.45Å; Y127-I130 PolarHBondContact O-N 3.31Å
128P90.9Very high91.6Very high2 Ų261.5 Ų61.51%0.01331%0.309CS..G310 helixtrans-63.3-20.1-177.828.3-35.9000113.9R46 A47 Q53 H126 I130 R131R46-P128 VanDerWaalsContact C-CG 3.48Å; R46-P128 HydrophobicContact CB-CB 4.05Å; R46-P128 HydrophobicContact CB-CG 3.76Å; A47-P128 HydrophobicContact CB-CG 4.06Å; Q53-P128 HydrophobicContact CG-CG 4.46Å; H126-P128 VanDerWaalsContact C-CD 3.49Å; H126-P128 WeakPolarHBondContact O-CD 3.32Å; P128-I130 PolarHBondContact O-N 3.46Å; P128-I130 VanDerWaalsContact O-N 3.12Å; P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 3.24Å
129E92.6Very high91.8Very high82 Ų8258.6 Ų58.638%0.38330%0.297SS..G310 helixtrans-61.2-18.6178.266.5-88.9-154.700114A47 Y127 R131 I132A47-E129 HydrophobicContact CB-CB 4.3Å; Y127-E129 WeakPolarHBondContact CA-OE2 3.36Å; Y127-E129 WeakPolarHBondContact CD1-OE1 3.32Å; Y127-E129 PolarHBondContact O-N 3.05Å; E129-R131 PolarHBondContact O-N 3.05Å; E129-I132 VanDerWaalsContact O-CB 3.31Å; E129-I132 WeakPolarHBondContact O-CB 3.14Å; E129-I132 PolarHBondContact O-N 3.5Å
130I92.9Very high91.9Very high26 Ų2654.9 Ų54.913%0.13328%0.277CS..G310 helixtrans-55.9-24.8171.5-67.5172.9000111.6T116 L119 Y120 F123 Y127 P128T116-I130 VanDerWaalsContact CB-O 3.27Å; T116-I130 WeakPolarHBondContact CB-O 3.36Å; T116-I130 WeakPolarHBondContact O-CG2 3.45Å; T116-I130 PolarHBondContact OG1-O 2.91Å; L119-I130 HydrophobicContact CB-CD1 4.09Å; L119-I130 HydrophobicContact CB-CG2 4.05Å; L119-I130 HydrophobicContact CD1-CG2 4.34Å; Y120-I130 HydrophobicContact CD1-CD1 3.91Å; Y120-I130 HydrophobicContact CE1-CB 4.38Å; Y120-I130 HydrophobicContact CE1-CD1 3.98Å; F123-I130 HydrophobicContact CB-CD1 4.24Å; F123-I130 HydrophobicContact CD2-CD1 4.21Å; Y127-I130 WeakPolarHBondContact O-CG1 3.45Å; Y127-I130 PolarHBondContact O-N 3.31Å; P128-I130 PolarHBondContact O-N 3.46Å; P128-I130 VanDerWaalsContact O-N 3.12Å
131R93.9Very high92.1Very high3 Ų353.9 Ų53.91%0.01127%0.274CS..G310 helixtrans-89.411.6178.3-61.9-177.56990.21.9114.1I43 D64 D68 D117 Y120 P128 E129 N133 K134I43-R131 HydrophobicContact CD1-CB 4.15Å; I43-R131 WeakPolarHBondContact CD1-O 3.35Å; D64-R131 PolarHBondContact O-NH2 3.49Å; D64-R131 IonicContact OD2-NE 3.95Å; D68-R131 IonicContact OD1-NH2 3.65Å; D68-R131 PolarHBondContact OD1-NH2 3.19Å; D68-R131 IonicContact OD2-CZ 2.7Å; D68-R131 IonicContact OD2-NH1 3.38Å; D68-R131 IonicContact OD2-NH2 3Å; D68-R131 PolarHBondContact OD2-NH2 2.86Å; D117-R131 VanDerWaalsContact OD1-CG 3.26Å; D117-R131 WeakPolarHBondContact OD1-CG 3.47Å; D117-R131 IonicContact OD1-CZ 3.93Å; D117-R131 IonicContact OD1-NE 2.76Å; D117-R131 IonicContact OD1-NH1 3.68Å; D117-R131 PolarHBondContact OD1-NH1 3.38Å; D117-R131 IonicContact OD2-CZ 3.67Å; D117-R131 IonicContact OD2-NH1 2.95Å; D117-R131 PolarHBondContact OD2-NH1 2.92Å; Y120-R131 HydrophobicContact CE2-CG 4.46Å; Y120-R131 WeakPolarHBondContact OH-CD 3.26Å; P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 3.24Å; E129-R131 PolarHBondContact O-N 3.05Å; R131-N133 PolarHBondContact O-N 3.47Å; R131-N133 PolarHBondContact O-OD1 2.95Å; R131-K134 HydrophobicContact CB-CG 4.2Å; R131-K134 WeakPolarHBondContact O-CB 3.22Å; R131-K134 WeakPolarHBondContact O-CG 3.49Å; R131-K134 PolarHBondContact O-N 2.85Å
132I94.3Very high92.2Very high104 Ų10449 Ų4953%0.53325%0.254SS..G310 helixtrans-59.4-23-178.6-160167.6000113.5E129 K134 L135E129-I132 VanDerWaalsContact O-CB 3.31Å; E129-I132 WeakPolarHBondContact O-CB 3.14Å; E129-I132 PolarHBondContact O-N 3.5Å; I132-K134 PolarHBondContact O-N 3.46Å; I132-K134 VanDerWaalsContact O-N 3.14Å; I132-L135 HydrophobicContact CD1-CD1 4.49Å; I132-L135 HydrophobicContact CG1-CD1 3.67Å; I132-L135 HydrophobicContact CG1-CG 4.35Å; I132-L135 WeakPolarHBondContact O-CB 3.41Å; I132-L135 WeakPolarHBondContact O-CG 3.36Å; I132-L135 PolarHBondContact O-N 3.38Å; I132-L135 VanDerWaalsContact O-N 3.12Å
133N94.9Very high92.4Very high19 Ų1946 Ų4610%0.10223%0.233CC..G310 helixtrans-58.8-23.917465.3-37.4000113.3L111 S112 L114 T116 R131 L135 L136L111-N133 PolarHBondContact O-ND2 2.73Å; S112-N133 WeakPolarHBondContact CA-O 3.33Å; S112-N133 WeakPolarHBondContact CB-O 3.14Å; S112-N133 PolarHBondContact O-ND2 2.84Å; L114-N133 PolarHBondContact O-ND2 3.25Å; L114-N133 VanDerWaalsContact O-ND2 3.09Å; T116-N133 PolarHBondContact OG1-OD1 2.92Å; R131-N133 PolarHBondContact O-N 3.47Å; R131-N133 PolarHBondContact O-OD1 2.95Å; N133-L135 PolarHBondContact O-N 2.93Å; N133-L136 WeakPolarHBondContact O-CB 3.34Å; N133-L136 WeakPolarHBondContact O-CG 3.3Å; N133-L136 PolarHBondContact O-N 2.97Å
134K95.1Very high92.7Very high3 Ų341 Ų411%0.01321%0.211CC..G310 helixtrans-64.4-24.2177.3-54.9-63.4164.51780113N39 I43 D68 S112 R131 I132 L136 R137N39-K134 HydrophobicContact CB-CB 4.34Å; I43-K134 HydrophobicContact CD1-CB 4.12Å; D68-K134 WeakPolarHBondContact OD1-CD 3.4Å; D68-K134 VanDerWaalsContact OD1-CE 3.26Å; D68-K134 WeakPolarHBondContact OD1-CE 3.36Å; D68-K134 IonicContact OD1-NZ 3.72Å; D68-K134 PolarHBondContact OD1-NZ 3.29Å; D68-K134 IonicContact OD2-NZ 3.52Å; S112-K134 VanDerWaalsContact O-CD 3.3Å; S112-K134 WeakPolarHBondContact O-CD 3.28Å; S112-K134 WeakPolarHBondContact O-CE 3.5Å; S112-K134 PolarHBondContact O-NZ 3.04Å; S112-K134 VanDerWaalsContact O-NZ 3.07Å; R131-K134 HydrophobicContact CB-CG 4.2Å; R131-K134 WeakPolarHBondContact O-CB 3.22Å; R131-K134 WeakPolarHBondContact O-CG 3.49Å; R131-K134 PolarHBondContact O-N 2.85Å; I132-K134 PolarHBondContact O-N 3.46Å; I132-K134 VanDerWaalsContact O-N 3.14Å; K134-L136 PolarHBondContact O-N 3.37Å; K134-R137 PolarHBondContact O-N 3.42Å
135L94.9Very high93.1Very high19 Ų1940.5 Ų40.510%0.09920%0.201CC..G310 helixtrans-65.3-20.7180-58.7-176.7000113.6N39 W40 I43 I132 N133 R137 I138 W173N39-L135 HydrophobicContact CB-CD2 4.48Å; N39-L135 WeakPolarHBondContact O-CD2 3.29Å; W40-L135 HydrophobicContact CB-CD2 4.31Å; W40-L135 HydrophobicContact CD2-CD2 4.23Å; W40-L135 HydrophobicContact CG-CD2 3.81Å; W40-L135 PolarHBondContact NE1-O 3.4Å; W40-L135 VanDerWaalsContact NE1-O 3.11Å; I43-L135 HydrophobicContact CD1-CD2 4.42Å; I132-L135 HydrophobicContact CD1-CD1 4.49Å; I132-L135 HydrophobicContact CG1-CD1 3.67Å; I132-L135 HydrophobicContact CG1-CG 4.35Å; I132-L135 WeakPolarHBondContact O-CB 3.41Å; I132-L135 WeakPolarHBondContact O-CG 3.36Å; I132-L135 PolarHBondContact O-N 3.38Å; I132-L135 VanDerWaalsContact O-N 3.12Å; N133-L135 PolarHBondContact O-N 2.93Å; L135-R137 PolarHBondContact O-N 3.33Å; L135-I138 PolarHBondContact O-N 3.04Å; L135-W173 HydrophobicContact CD1-CH2 3.54Å; L135-W173 HydrophobicContact CD1-CZ2 3.87Å
136L95.6Very high93.4Very high58 Ų5840.7 Ų40.730%0.30421%0.206SC..G310 helixtrans-62.8-12178.3-61.9173.6000113.6L111 N133 K134 I138L111-L136 HydrophobicContact CB-CD1 3.9Å; L111-L136 HydrophobicContact CD2-CD1 3.5Å; L111-L136 HydrophobicContact CG-CD1 3.46Å; L111-L136 VanDerWaalsContact CG-CD1 3.46Å; N133-L136 WeakPolarHBondContact O-CB 3.34Å; N133-L136 WeakPolarHBondContact O-CG 3.3Å; N133-L136 PolarHBondContact O-N 2.97Å; K134-L136 PolarHBondContact O-N 3.37Å; L136-I138 PolarHBondContact O-N 2.85Å
137R95.1Very high93.6Very high0 Ų040.1 Ų40.10%020%0.199CC..G310 helixtrans-76.32.6174.9-68.5-68.6-174.6156.17.7114.4V36 Y71 D74 M75 D109 S112 M113 K134 L135 G139 R140V36-R137 HydrophobicContact CG2-CB 3.85Å; Y71-R137 HydrophobicContact CD1-CG 4.25Å; Y71-R137 HydrophobicContact CD2-CG 4.37Å; Y71-R137 HydrophobicContact CE1-CB 4.21Å; Y71-R137 HydrophobicContact CE1-CG 4.07Å; Y71-R137 HydrophobicContact CE2-CG 4.17Å; Y71-R137 HydrophobicContact CG-CG 4.4Å; D74-R137 IonicContact OD2-NH1 2.59Å; M75-R137 PolarHBondContact SD-NH2 2.96Å; D109-R137 PolarHBondContact O-NH2 3.24Å; D109-R137 IonicContact OD1-CZ 2.64Å; D109-R137 IonicContact OD1-NE 3.58Å; D109-R137 IonicContact OD1-NH1 3.95Å; D109-R137 PolarHBondContact OD1-NH1 2.68Å; D109-R137 IonicContact OD2-NH1 2.95Å; D109-R137 PolarHBondContact OD2-NH1 3.37Å; S112-R137 PolarHBondContact OG-NE 3.39Å; S112-R137 PolarHBondContact OG-NH2 3.11Å; M113-R137 VanDerWaalsContact CG-NH2 3.33Å; K134-R137 PolarHBondContact O-N 3.42Å; L135-R137 PolarHBondContact O-N 3.33Å; R137-G139 PolarHBondContact O-N 3.14Å; R137-R140 WeakPolarHBondContact O-CB 3.44Å; R137-R140 PolarHBondContact O-N 3.05Å
138I93.2Very high93.8Very high48 Ų4835.5 Ų35.525%0.24618%0.183CC..Hα-helixtrans-53-31-179.9-167.960.6000113.9V36 W40 L135 L136 R140 M141 M142V36-I138 HydrophobicContact CG1-CD1 4.4Å; W40-I138 HydrophobicContact CD2-CD1 4.38Å; W40-I138 HydrophobicContact CZ2-CB 4.03Å; W40-I138 HydrophobicContact CZ2-CD1 4.07Å; W40-I138 HydrophobicContact CZ2-CG1 3.95Å; L135-I138 PolarHBondContact O-N 3.04Å; L136-I138 PolarHBondContact O-N 2.85Å; I138-R140 PolarHBondContact O-N 3.16Å; I138-R140 VanDerWaalsContact O-N 3.08Å; I138-M141 HydrophobicContact CD1-CB 4.2Å; I138-M141 HydrophobicContact CD1-SD 3.86Å; I138-M141 WeakPolarHBondContact O-CB 3.14Å; I138-M141 PolarHBondContact O-N 2.88Å; I138-M142 HydrophobicContact CD1-CE 4.32Å; I138-M142 HydrophobicContact CG1-CE 4.04Å; I138-M142 PolarHBondContact O-N 3.38Å; I138-M142 VanDerWaalsContact O-N 3.13Å
139G93.6Very high93.9Very high25 Ų2537.9 Ų37.926%0.25819%0.194SC..Hα-helixtrans-55.8-28.4175.900000113.6R137 E143R137-G139 PolarHBondContact O-N 3.14Å; G139-E143 PolarHBondContact O-N 3.42Å
140R93.3Very high93.8Very high1 Ų139.1 Ų39.10%0.00421%0.207CC..Hα-helixtrans-70.5-39.2175.9-80.5-55.7-129.7174.223114.2Y25 L29 I32 D74 R78 R137 I138 M142 E143 F144Y25-R140 PolarHBondContact OH-NH1 2.93Å; L29-R140 VanDerWaalsContact CD2-CZ 3.41Å; L29-R140 VanDerWaalsContact CD2-NH1 3.27Å; I32-R140 HydrophobicContact CG2-CB 3.76Å; I32-R140 HydrophobicContact CG2-CG 3.93Å; D74-R140 IonicContact OD1-CZ 2.7Å; D74-R140 IonicContact OD1-NE 3.26Å; D74-R140 PolarHBondContact OD1-NE 3.46Å; D74-R140 IonicContact OD1-NH2 3.6Å; D74-R140 PolarHBondContact OD1-NH2 3.4Å; D74-R140 IonicContact OD2-CZ 3.4Å; D74-R140 IonicContact OD2-NE 3.66Å; D74-R140 PolarHBondContact OD2-NE 3.42Å; D74-R140 IonicContact OD2-NH2 2.64Å; R78-R140 VanDerWaalsContact CZ-CZ 3.41Å; R78-R140 VanDerWaalsContact NH2-NE 3.14Å; R137-R140 WeakPolarHBondContact O-CB 3.44Å; R137-R140 PolarHBondContact O-N 3.05Å; I138-R140 PolarHBondContact O-N 3.16Å; I138-R140 VanDerWaalsContact O-N 3.08Å; R140-M142 VanDerWaalsContact C-N 3.34Å; R140-E143 IonicContact CZ-OE2 2.58Å; R140-E143 IonicContact NH1-OE1 3.59Å; R140-E143 IonicContact NH1-OE2 3.89Å; R140-E143 PolarHBondContact NH1-OE2 3.31Å; R140-E143 PolarHBondContact O-N 3.34Å; R140-F144 PolarHBondContact O-N 3.35Å
141M93.6Very high93.6Very high4 Ų441.9 Ų41.92%0.0222%0.218CC..Hα-helixtrans-66.6-41.1175.7-177.8178.9-66.100110.8V36 M37 I138 E143 F144 F145V36-M141 HydrophobicContact CB-CE 3.73Å; V36-M141 HydrophobicContact CG1-CB 4.19Å; V36-M141 HydrophobicContact CG1-CE 3.54Å; M37-M141 HydrophobicContact CB-CE 4.06Å; M37-M141 HydrophobicContact CG-CE 3.34Å; M37-M141 HydrophobicContact CG-SD 4.41Å; M37-M141 HydrophobicContact SD-CE 3.18Å; M37-M141 WeakPolarHBondContact SD-CE 3.45Å; M37-M141 HydrophobicContact SD-SD 3.58Å; I138-M141 HydrophobicContact CD1-CB 4.2Å; I138-M141 HydrophobicContact CD1-SD 3.86Å; I138-M141 WeakPolarHBondContact O-CB 3.14Å; I138-M141 PolarHBondContact O-N 2.88Å; M141-E143 VanDerWaalsContact C-N 3.33Å; M141-E143 PolarHBondContact O-N 3.41Å; M141-F144 WeakPolarHBondContact O-CB 3.33Å; M141-F144 PolarHBondContact O-N 3.14Å; M141-F145 HydrophobicContact CG-CD2 4.11Å; M141-F145 HydrophobicContact CG-CE1 3.94Å; M141-F145 HydrophobicContact CG-CE2 3.39Å; M141-F145 HydrophobicContact CG-CZ 3.26Å; M141-F145 WeakPolarHBondContact O-CG 3.35Å; M141-F145 PolarHBondContact O-N 2.87Å; M141-F145 HydrophobicContact SD-CE2 3.82Å; M141-F145 HydrophobicContact SD-CZ 3.67Å
142M93.9Very high93.5Very high81 Ų8144 Ų4440%0.39923%0.231SC..Hα-helixtrans-60.4-44175.1-63.5-59.6171.900111.5I138 R140 F144 F145 T146I138-M142 HydrophobicContact CD1-CE 4.32Å; I138-M142 HydrophobicContact CG1-CE 4.04Å; I138-M142 PolarHBondContact O-N 3.38Å; I138-M142 VanDerWaalsContact O-N 3.13Å; R140-M142 VanDerWaalsContact C-N 3.34Å; M142-F144 PolarHBondContact O-N 3.12Å; M142-F145 PolarHBondContact O-N 2.9Å; M142-F145 HydrophobicContact SD-CD2 4.41Å; M142-T146 PolarHBondContact O-N 2.88Å; M142-T146 PolarHBondContact O-OG1 3.06Å
143E94.1Very high93.3Very high50 Ų5046 Ų4623%0.23424%0.243CC..Hα-helixtrans-62-42.7174.6-171.9178.5172.500112.1Y25 L29 R78 G139 R140 M141 F145 T146 R147Y25-E143 VanDerWaalsContact CE1-OE1 3.27Å; Y25-E143 WeakPolarHBondContact CE1-OE1 3.45Å; Y25-E143 PolarHBondContact OH-OE1 2.89Å; Y25-E143 PolarHBondContact OH-OE2 3.31Å; L29-E143 HydrophobicContact CD1-CG 4.16Å; L29-E143 HydrophobicContact CD2-CB 4.49Å; L29-E143 HydrophobicContact CD2-CG 4.31Å; R78-E143 IonicContact NH1-OE2 3.81Å; G139-E143 PolarHBondContact O-N 3.42Å; R140-E143 IonicContact CZ-OE2 2.58Å; R140-E143 IonicContact NH1-OE1 3.59Å; R140-E143 IonicContact NH1-OE2 3.89Å; R140-E143 PolarHBondContact NH1-OE2 3.31Å; R140-E143 PolarHBondContact O-N 3.34Å; M141-E143 VanDerWaalsContact C-N 3.33Å; M141-E143 PolarHBondContact O-N 3.41Å; E143-F145 PolarHBondContact O-N 3.3Å; E143-T146 PolarHBondContact O-N 2.96Å; E143-R147 HydrophobicContact CG-CG 4.48Å; E143-R147 WeakPolarHBondContact O-CB 3.24Å; E143-R147 WeakPolarHBondContact O-CG 3.5Å; E143-R147 PolarHBondContact O-N 3.31Å
144F95.1Very high93Very high18 Ų1852.6 Ų52.68%0.07927%0.268CS..Hα-helixtrans-58.2-46.3173.9172.4-106.7000111.4Y26 L29 F30 A33 R140 M141 M142 R147 T148Y26-F144 HydrophobicContact CE2-CD2 4.39Å; Y26-F144 AromaticContact CE2-CE2 3.96Å; Y26-F144 HydrophobicContact CE2-CE2 3.96Å; L29-F144 HydrophobicContact CB-CB 4.19Å; L29-F144 HydrophobicContact CB-CD2 3.97Å; F30-F144 HydrophobicContact CB-CD2 4.31Å; F30-F144 HydrophobicContact CB-CE2 3.75Å; F30-F144 HydrophobicContact CB-CZ 4.36Å; F30-F144 HydrophobicContact CD2-CE1 4.4Å; F30-F144 AromaticContact CD2-CE2 3.89Å; F30-F144 HydrophobicContact CD2-CE2 3.89Å; F30-F144 AromaticContact CD2-CZ 3.61Å; F30-F144 HydrophobicContact CD2-CZ 3.61Å; F30-F144 HydrophobicContact CE2-CZ 4.47Å; F30-F144 HydrophobicContact CG-CE2 4.34Å; F30-F144 HydrophobicContact CG-CZ 4.48Å; A33-F144 HydrophobicContact CB-CB 4.42Å; A33-F144 HydrophobicContact CB-CD1 3.87Å; A33-F144 HydrophobicContact CB-CE1 4.41Å; A33-F144 HydrophobicContact CB-CG 4.1Å; R140-F144 PolarHBondContact O-N 3.35Å; M141-F144 WeakPolarHBondContact O-CB 3.33Å; M141-F144 PolarHBondContact O-N 3.14Å; M142-F144 PolarHBondContact O-N 3.12Å; F144-R147 PolarHBondContact O-N 3.5Å; F144-T148 WeakPolarHBondContact CE2-OG1 3.22Å; F144-T148 VanDerWaalsContact CZ-OG1 3.22Å; F144-T148 WeakPolarHBondContact CZ-OG1 3.31Å; F144-T148 WeakPolarHBondContact O-CB 3.4Å; F144-T148 PolarHBondContact O-N 3.48Å; F144-T148 PolarHBondContact O-OG1 3.44Å
145F94.6Very high92.8Very high16 Ų1654.6 Ų54.67%0.0728%0.281CS..Hα-helixtrans-62.1-47.2178.9-64.2-22.2000112.7M141 M142 E143 R147 T148 E149 F158 M165 Y166M141-F145 HydrophobicContact CG-CD2 4.11Å; M141-F145 HydrophobicContact CG-CE1 3.94Å; M141-F145 HydrophobicContact CG-CE2 3.39Å; M141-F145 HydrophobicContact CG-CZ 3.26Å; M141-F145 WeakPolarHBondContact O-CG 3.35Å; M141-F145 PolarHBondContact O-N 2.87Å; M141-F145 HydrophobicContact SD-CE2 3.82Å; M141-F145 HydrophobicContact SD-CZ 3.67Å; M142-F145 PolarHBondContact O-N 2.9Å; M142-F145 HydrophobicContact SD-CD2 4.41Å; E143-F145 PolarHBondContact O-N 3.3Å; F145-R147 VanDerWaalsContact C-N 3.26Å; F145-R147 PolarHBondContact O-N 2.98Å; F145-T148 PolarHBondContact O-N 2.91Å; F145-E149 VanDerWaalsContact O-CB 3.3Å; F145-E149 WeakPolarHBondContact O-CB 3.4Å; F145-E149 PolarHBondContact O-N 2.75Å; F145-F158 HydrophobicContact CB-CE1 4.33Å; F145-F158 HydrophobicContact CB-CZ 4.46Å; F145-F158 AromaticContact CD1-CZ 3.96Å; F145-F158 HydrophobicContact CD1-CZ 3.96Å; F145-F158 WeakPolarHBondContact O-CE1 3.38Å; F145-M165 HydrophobicContact CE1-CE 4.16Å; F145-M165 HydrophobicContact CE2-CE 3.45Å; F145-M165 VanDerWaalsContact CE2-CE 3.45Å; F145-M165 HydrophobicContact CZ-CE 3.15Å; F145-M165 HydrophobicContact CZ-SD 4.06Å; F145-Y166 HydrophobicContact CD2-CE1 4.49Å; F145-Y166 VanDerWaalsContact CD2-OH 3.23Å; F145-Y166 WeakPolarHBondContact CD2-OH 3.49Å; F145-Y166 AromaticContact CE2-CE1 3.88Å; F145-Y166 HydrophobicContact CE2-CE1 3.88Å; F145-Y166 WeakPolarHBondContact CE2-OH 3.41Å
146T93.1Very high92.5Very high85 Ų8555.7 Ų55.752%0.52129%0.287SS..Hα-helixtrans-59.7-38.1176.6-54.30000112M142 E143 T150M142-T146 PolarHBondContact O-N 2.88Å; M142-T146 PolarHBondContact O-OG1 3.06Å; E143-T146 PolarHBondContact O-N 2.96Å; T146-T150 PolarHBondContact O-N 3.33Å; T146-T150 PolarHBondContact O-OG1 3.18Å; T146-T150 VanDerWaalsContact O-OG1 3.06Å
147R92.3Very high92.2Very high87 Ų8758.2 Ų58.233%0.32830%0.3SS..Hα-helixtrans-71.1-41.1177.9-68-68.9-172.7167.52.5112.5Y26 L29 E143 F144 F145 E149 T150 K151Y26-R147 HydrophobicContact CD2-CB 4.17Å; L29-R147 HydrophobicContact CD1-CB 4.42Å; L29-R147 HydrophobicContact CD1-CG 3.93Å; E143-R147 HydrophobicContact CG-CG 4.48Å; E143-R147 WeakPolarHBondContact O-CB 3.24Å; E143-R147 WeakPolarHBondContact O-CG 3.5Å; E143-R147 PolarHBondContact O-N 3.31Å; F144-R147 PolarHBondContact O-N 3.5Å; F145-R147 VanDerWaalsContact C-N 3.26Å; F145-R147 PolarHBondContact O-N 2.98Å; R147-E149 VanDerWaalsContact C-N 3.33Å; R147-T150 PolarHBondContact O-N 3.18Å; R147-T150 PolarHBondContact O-OG1 3.39Å; R147-K151 WeakPolarHBondContact O-CG 3.28Å; R147-K151 PolarHBondContact O-N 3.43Å
148T93.7Very high92Very high15 Ų1560.3 Ų60.39%0.09231%0.309CS..Hα-helixtrans-66.5-39.3177.3-57.70000110.9Y26 F144 F145 T150 K151 T152 F158Y26-T148 WeakPolarHBondContact CE2-OG1 3.48Å; Y26-T148 PolarHBondContact OH-OG1 3.41Å; F144-T148 WeakPolarHBondContact CE2-OG1 3.22Å; F144-T148 VanDerWaalsContact CZ-OG1 3.22Å; F144-T148 WeakPolarHBondContact CZ-OG1 3.31Å; F144-T148 WeakPolarHBondContact O-CB 3.4Å; F144-T148 PolarHBondContact O-N 3.48Å; F144-T148 PolarHBondContact O-OG1 3.44Å; F145-T148 PolarHBondContact O-N 2.91Å; T148-T150 VanDerWaalsContact C-N 3.35Å; T148-T150 PolarHBondContact O-N 3.47Å; T148-K151 PolarHBondContact O-N 3.31Å; T148-T152 WeakPolarHBondContact O-CB 3.32Å; T148-T152 WeakPolarHBondContact O-CG2 3.34Å; T148-T152 PolarHBondContact O-N 3.42Å; T148-F158 VanDerWaalsContact CB-CZ 3.47Å; T148-F158 HydrophobicContact CG2-CD1 4.42Å; T148-F158 HydrophobicContact CG2-CD2 3.9Å; T148-F158 HydrophobicContact CG2-CE1 3.96Å; T148-F158 HydrophobicContact CG2-CE2 3.39Å; T148-F158 HydrophobicContact CG2-CG 4.39Å; T148-F158 HydrophobicContact CG2-CZ 3.43Å; T148-F158 VanDerWaalsContact CG2-CZ 3.43Å
149E91.9Very high91.9Very high52 Ų5262.9 Ų62.924%0.24332%0.315CS..Hα-helixtrans-61.9-39.8177.7-171.3-176.7159.700112.9F145 R147 T152 P155 F158 R159F145-E149 VanDerWaalsContact O-CB 3.3Å; F145-E149 WeakPolarHBondContact O-CB 3.4Å; F145-E149 PolarHBondContact O-N 2.75Å; R147-E149 VanDerWaalsContact C-N 3.33Å; E149-T152 WeakPolarHBondContact O-CG2 3.36Å; E149-P155 HydrophobicContact CG-CB 4.19Å; E149-F158 HydrophobicContact CB-CD1 3.97Å; E149-F158 HydrophobicContact CB-CE1 4.13Å; E149-F158 HydrophobicContact CG-CD1 4.46Å; E149-R159 IonicContact OE1-CZ 2.75Å; E149-R159 IonicContact OE1-NE 3.57Å; E149-R159 PolarHBondContact OE1-NE 3.35Å; E149-R159 IonicContact OE1-NH2 3.59Å; E149-R159 PolarHBondContact OE1-NH2 3.18Å
150T90.2Very high91.7Very high108 Ų10864 Ų6466%0.66332%0.315SS*.Hα-helixtrans-77.7-21.517848.90000113.6T146 R147 T148T146-T150 PolarHBondContact O-N 3.33Å; T146-T150 PolarHBondContact O-OG1 3.18Å; T146-T150 VanDerWaalsContact O-OG1 3.06Å; R147-T150 PolarHBondContact O-N 3.18Å; R147-T150 PolarHBondContact O-OG1 3.39Å; T148-T150 VanDerWaalsContact C-N 3.35Å; T148-T150 PolarHBondContact O-N 3.47Å
151K89.9Confident91.6Very high84 Ų8465.6 Ų65.637%0.36533%0.332SS..Hα-helixtrans-92-25.2178.3-76.6-166.8175.2-169.50114.1N23 Y26 R147 T148N23-K151 PolarHBondContact OD1-NZ 3.44Å; Y26-K151 HydrophobicContact CD1-CD 4.38Å; Y26-K151 HydrophobicContact CD2-CD 4Å; Y26-K151 HydrophobicContact CE2-CD 4.18Å; Y26-K151 HydrophobicContact CG-CD 4.1Å; R147-K151 WeakPolarHBondContact O-CG 3.28Å; R147-K151 PolarHBondContact O-N 3.43Å; T148-K151 PolarHBondContact O-N 3.31Å
152T91.2Very high91.6Very high46 Ų4666.2 Ų66.228%0.28234%0.336SS..  trans-76.3142.5-178.2-175.40000111.4T148 E149 Y154 P155 F158T148-T152 WeakPolarHBondContact O-CB 3.32Å; T148-T152 WeakPolarHBondContact O-CG2 3.34Å; T148-T152 PolarHBondContact O-N 3.42Å; E149-T152 WeakPolarHBondContact O-CG2 3.36Å; T152-Y154 PolarHBondContact O-N 2.92Å; T152-Y154 PolarHBondContact OG1-N 3.21Å; T152-Y154 VanDerWaalsContact OG1-N 3.12Å; T152-P155 HydrophobicContact CG2-CB 4.27Å; T152-F158 HydrophobicContact CG2-CB 4.17Å
153N90.8Very high91.4Very high146 Ų14663.3 Ų63.378%0.78132%0.321SS*.SBendtrans-73.8-10.8169.9-65.4-25.2000112.2P155N153-P155 VanDerWaalsContact C-CD 3.44Å; N153-P155 WeakPolarHBondContact O-CD 3.07Å
154Y88.1Confident91.3Very high158 Ų15864.8 Ų64.862%0.6233%0.33SS*.  trans-125.865.7-176.5-55.6-75.6000111.7T152 N156 I157 F158T152-Y154 PolarHBondContact O-N 2.92Å; T152-Y154 PolarHBondContact OG1-N 3.21Å; T152-Y154 VanDerWaalsContact OG1-N 3.12Å; Y154-N156 VanDerWaalsContact C-N 3.33Å; Y154-N156 PolarHBondContact O-N 3.21Å; Y154-I157 HydrophobicContact CD1-CD1 4.41Å; Y154-I157 HydrophobicContact CG-CD1 4.4Å; Y154-I157 PolarHBondContact O-N 3.34Å; Y154-F158 PolarHBondContact O-N 3.07Å
155P90.6Very high91.2Very high45 Ų4565.9 Ų65.929%0.29234%0.336SS..Hα-helixtrans-63.1-36.1-174.724.2-34.2000112.9E149 T152 N153 F158 R159E149-P155 HydrophobicContact CG-CB 4.19Å; T152-P155 HydrophobicContact CG2-CB 4.27Å; N153-P155 VanDerWaalsContact C-CD 3.44Å; N153-P155 WeakPolarHBondContact O-CD 3.07Å; P155-F158 PolarHBondContact O-N 3.43Å; P155-R159 VanDerWaalsContact O-CG 3.3Å; P155-R159 WeakPolarHBondContact O-CG 3.33Å; P155-R159 PolarHBondContact O-N 2.67Å
156N88.4Confident91Very high43 Ų4368.7 Ų68.723%0.2335%0.347CS..Hα-helixtrans-64.8-41.9179.7-67.8-29.8000112.6Y154 F158 R159 I160Y154-N156 VanDerWaalsContact C-N 3.33Å; Y154-N156 PolarHBondContact O-N 3.21Å; N156-F158 VanDerWaalsContact C-N 3.33Å; N156-R159 PolarHBondContact O-N 3.27Å; N156-I160 WeakPolarHBondContact O-CG1 3.46Å; N156-I160 PolarHBondContact O-N 3.07Å
157I88.6Confident91Very high111 Ų11166.6 Ų66.657%0.56933%0.332SS*.Hα-helixtrans-64.5-42.8176.9-61.9178000110Y154 I160 G161Y154-I157 HydrophobicContact CD1-CD1 4.41Å; Y154-I157 HydrophobicContact CG-CD1 4.4Å; Y154-I157 PolarHBondContact O-N 3.34Å; I157-I160 PolarHBondContact O-N 3.21Å; I157-G161 PolarHBondContact O-N 2.6Å
158F92.1Very high91Very high44 Ų4467.7 Ų67.719%0.19334%0.344CS..Hα-helixtrans-62.7-42.9177.4-176.6-107000112.4F145 T148 E149 T152 Y154 P155 N156 I160 G161 N162F145-F158 HydrophobicContact CB-CE1 4.33Å; F145-F158 HydrophobicContact CB-CZ 4.46Å; F145-F158 AromaticContact CD1-CZ 3.96Å; F145-F158 HydrophobicContact CD1-CZ 3.96Å; F145-F158 WeakPolarHBondContact O-CE1 3.38Å; T148-F158 VanDerWaalsContact CB-CZ 3.47Å; T148-F158 HydrophobicContact CG2-CD1 4.42Å; T148-F158 HydrophobicContact CG2-CD2 3.9Å; T148-F158 HydrophobicContact CG2-CE1 3.96Å; T148-F158 HydrophobicContact CG2-CE2 3.39Å; T148-F158 HydrophobicContact CG2-CG 4.39Å; T148-F158 HydrophobicContact CG2-CZ 3.43Å; T148-F158 VanDerWaalsContact CG2-CZ 3.43Å; E149-F158 HydrophobicContact CB-CD1 3.97Å; E149-F158 HydrophobicContact CB-CE1 4.13Å; E149-F158 HydrophobicContact CG-CD1 4.46Å; T152-F158 HydrophobicContact CG2-CB 4.17Å; Y154-F158 PolarHBondContact O-N 3.07Å; P155-F158 PolarHBondContact O-N 3.43Å; N156-F158 VanDerWaalsContact C-N 3.33Å; F158-I160 PolarHBondContact O-N 3.43Å; F158-G161 PolarHBondContact O-N 3.35Å; F158-N162 WeakPolarHBondContact CE1-ND2 3.4Å; F158-N162 WeakPolarHBondContact CZ-ND2 3.13Å; F158-N162 PolarHBondContact O-N 2.68Å
159R90.8Very high91.1Very high101 Ų10168 Ų6838%0.38135%0.345SS..Hα-helixtrans-60.3-44.3174.8-72173.5-179.7178.80112.4E149 P155 N156 G161 N162 L163 M262E149-R159 IonicContact OE1-CZ 2.75Å; E149-R159 IonicContact OE1-NE 3.57Å; E149-R159 PolarHBondContact OE1-NE 3.35Å; E149-R159 IonicContact OE1-NH2 3.59Å; E149-R159 PolarHBondContact OE1-NH2 3.18Å; P155-R159 VanDerWaalsContact O-CG 3.3Å; P155-R159 WeakPolarHBondContact O-CG 3.33Å; P155-R159 PolarHBondContact O-N 2.67Å; N156-R159 PolarHBondContact O-N 3.27Å; R159-G161 VanDerWaalsContact C-N 3.33Å; R159-N162 PolarHBondContact O-N 2.77Å; R159-L163 WeakPolarHBondContact O-CB 3.46Å; R159-L163 PolarHBondContact O-N 2.85Å; R159-M262 HydrophobicContact CB-SD 3.48Å; R159-M262 WeakPolarHBondContact CB-SD 3.48Å; R159-M262 HydrophobicContact CG-SD 4.5Å
160I90Very high91.2Very high48 Ų4868.3 Ų68.325%0.24635%0.347CS..Hα-helixtrans-61.2-44.3175.7-68.3167.2000110.3N156 I157 F158 N162 L163 I164 M262N156-I160 WeakPolarHBondContact O-CG1 3.46Å; N156-I160 PolarHBondContact O-N 3.07Å; I157-I160 PolarHBondContact O-N 3.21Å; F158-I160 PolarHBondContact O-N 3.43Å; I160-N162 PolarHBondContact O-N 3.47Å; I160-L163 PolarHBondContact O-N 3.38Å; I160-I164 HydrophobicContact CG2-CD1 3.88Å; I160-I164 HydrophobicContact CG2-CG1 4.49Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 3.37Å; I160-M262 HydrophobicContact CG1-CE 4.19Å; I160-M262 HydrophobicContact CG1-SD 4Å
161G91.3Very high91.5Very high36 Ų3664 Ų6437%0.37132%0.32SS..Hα-helixtrans-59.3-46.1176.400000113.1I157 F158 R159 L163 I164 M165I157-G161 PolarHBondContact O-N 2.6Å; F158-G161 PolarHBondContact O-N 3.35Å; R159-G161 VanDerWaalsContact C-N 3.33Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.85Å; G161-I164 PolarHBondContact O-N 3.26Å; G161-M165 WeakPolarHBondContact O-CB 3.44Å; G161-M165 PolarHBondContact O-N 2.87Å
162N92.2Very high91.8Very high17 Ų1760.7 Ų60.79%0.09131%0.306CS..Hα-helixtrans-63-40.3176.3-69.6-17.6000112F158 R159 I160 M165 Y166F158-N162 WeakPolarHBondContact CE1-ND2 3.4Å; F158-N162 WeakPolarHBondContact CZ-ND2 3.13Å; F158-N162 PolarHBondContact O-N 2.68Å; R159-N162 PolarHBondContact O-N 2.77Å; I160-N162 PolarHBondContact O-N 3.47Å; N162-M165 WeakPolarHBondContact O-CB 3.45Å; N162-M165 PolarHBondContact O-N 3.39Å; N162-Y166 HydrophobicContact CB-CE2 4.38Å; N162-Y166 WeakPolarHBondContact O-CD2 3.45Å; N162-Y166 PolarHBondContact O-N 2.78Å
163L90.8Very high92Very high19 Ų1960.7 Ų60.710%0.09930%0.301CS..Hα-helixtrans-63.1-45.7177.2-174.461.4000111.3R159 I160 G161 M165 Y166 I167 I255 N258 I259 M262R159-L163 WeakPolarHBondContact O-CB 3.46Å; R159-L163 PolarHBondContact O-N 2.85Å; I160-L163 PolarHBondContact O-N 3.38Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.85Å; L163-M165 VanDerWaalsContact C-N 3.3Å; L163-M165 PolarHBondContact O-N 2.79Å; L163-Y166 PolarHBondContact O-N 3.11Å; L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.25Å; L163-I167 PolarHBondContact O-N 2.85Å; L163-I255 HydrophobicContact CD1-CG1 3.97Å; L163-I255 HydrophobicContact CD1-CG2 4.46Å; L163-I255 HydrophobicContact CD2-CG2 4.17Å; L163-I255 HydrophobicContact CG-CG2 4.25Å; L163-N258 HydrophobicContact CD2-CB 4.12Å; L163-I259 HydrophobicContact CD2-CD1 4.06Å; L163-I259 HydrophobicContact CD2-CG1 3.42Å; L163-I259 VanDerWaalsContact CD2-CG1 3.42Å; L163-M262 HydrophobicContact CD2-CE 3.6Å
164I91.1Very high92.3Very high82 Ų8254.2 Ų54.242%0.42127%0.266SS..Hα-helixtrans-58.8-43.6174.5-68.1167.6000110.7I160 G161 Y166 I167 L168I160-I164 HydrophobicContact CG2-CD1 3.88Å; I160-I164 HydrophobicContact CG2-CG1 4.49Å; I160-I164 WeakPolarHBondContact O-CG1 3.34Å; I160-I164 PolarHBondContact O-N 3.37Å; G161-I164 PolarHBondContact O-N 3.26Å; I164-Y166 PolarHBondContact O-N 3.46Å; I164-I167 WeakPolarHBondContact O-CB 3.46Å; I164-I167 PolarHBondContact O-N 3.08Å; I164-L168 HydrophobicContact CG2-CD1 4.14Å; I164-L168 HydrophobicContact CG2-CG 4.44Å; I164-L168 WeakPolarHBondContact O-CG 3.28Å; I164-L168 PolarHBondContact O-N 2.95Å
165M92.7Very high92.7Very high41 Ų4146.7 Ų46.720%0.20224%0.237CC..Hα-helixtrans-60.9-42.4176.2178.9-167.669.100112M37 F145 G161 N162 L163 I167 L168 I169M37-M165 HydrophobicContact CE-CG 4.26Å; M37-M165 HydrophobicContact CE-SD 4.02Å; M37-M165 HydrophobicContact SD-SD 3.85Å; F145-M165 HydrophobicContact CE1-CE 4.16Å; F145-M165 HydrophobicContact CE2-CE 3.45Å; F145-M165 VanDerWaalsContact CE2-CE 3.45Å; F145-M165 HydrophobicContact CZ-CE 3.15Å; F145-M165 HydrophobicContact CZ-SD 4.06Å; G161-M165 WeakPolarHBondContact O-CB 3.44Å; G161-M165 PolarHBondContact O-N 2.87Å; N162-M165 WeakPolarHBondContact O-CB 3.45Å; N162-M165 PolarHBondContact O-N 3.39Å; L163-M165 VanDerWaalsContact C-N 3.3Å; L163-M165 PolarHBondContact O-N 2.79Å; M165-I167 VanDerWaalsContact C-N 3.33Å; M165-I167 PolarHBondContact O-N 3.03Å; M165-L168 PolarHBondContact O-N 2.97Å; M165-I169 HydrophobicContact CG-CD1 4.09Å; M165-I169 WeakPolarHBondContact O-CG1 3.14Å; M165-I169 PolarHBondContact O-N 3.13Å
166Y91.9Very high93Very high75 Ų7544.6 Ų44.629%0.29422%0.223SC..Hα-helixtrans-60.5-41.7174.8-60.4-32.2000112.3F145 N162 L163 I164 I169 I170F145-Y166 HydrophobicContact CD2-CE1 4.49Å; F145-Y166 VanDerWaalsContact CD2-OH 3.23Å; F145-Y166 WeakPolarHBondContact CD2-OH 3.49Å; F145-Y166 AromaticContact CE2-CE1 3.88Å; F145-Y166 HydrophobicContact CE2-CE1 3.88Å; F145-Y166 WeakPolarHBondContact CE2-OH 3.41Å; N162-Y166 HydrophobicContact CB-CE2 4.38Å; N162-Y166 WeakPolarHBondContact O-CD2 3.45Å; N162-Y166 PolarHBondContact O-N 2.78Å; L163-Y166 PolarHBondContact O-N 3.11Å; I164-Y166 PolarHBondContact O-N 3.46Å; Y166-I169 PolarHBondContact O-N 3.33Å; Y166-I170 WeakPolarHBondContact O-CD1 3.33Å; Y166-I170 VanDerWaalsContact O-CG1 3.26Å; Y166-I170 WeakPolarHBondContact O-CG1 3.44Å; Y166-I170 PolarHBondContact O-N 3.43Å
167I91.6Very high93.3Very high41 Ų4147.1 Ų47.121%0.2123%0.232CC..Hα-helixtrans-58-50.6175.2-62.6167000110.5L163 I164 M165 I169 I170 I171 I255L163-I167 VanDerWaalsContact O-CG1 3.3Å; L163-I167 WeakPolarHBondContact O-CG1 3.25Å; L163-I167 PolarHBondContact O-N 2.85Å; I164-I167 WeakPolarHBondContact O-CB 3.46Å; I164-I167 PolarHBondContact O-N 3.08Å; M165-I167 VanDerWaalsContact C-N 3.33Å; M165-I167 PolarHBondContact O-N 3.03Å; I167-I169 VanDerWaalsContact C-N 3.3Å; I167-I169 PolarHBondContact O-N 3.01Å; I167-I170 PolarHBondContact O-N 2.96Å; I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.27Å; I167-I171 WeakPolarHBondContact O-CG1 3.46Å; I167-I171 PolarHBondContact O-N 2.91Å; I167-I255 HydrophobicContact CD1-CD1 4.14Å; I167-I255 HydrophobicContact CD1-CG1 4.36Å; I167-I255 HydrophobicContact CD1-CG2 3.43Å; I167-I255 VanDerWaalsContact CD1-CG2 3.43Å; I167-I255 HydrophobicContact CG1-CD1 3.51Å; I167-I255 HydrophobicContact CG1-CG1 4.04Å; I167-I255 HydrophobicContact CG1-CG2 4.05Å
168L93.9Very high93.7Very high110 Ų11042 Ų4258%0.57621%0.205SC*.Hα-helixtrans-61.5-38.7-178.6-67.8174.8000111.9I164 M165 H172I164-L168 HydrophobicContact CG2-CD1 4.14Å; I164-L168 HydrophobicContact CG2-CG 4.44Å; I164-L168 WeakPolarHBondContact O-CG 3.28Å; I164-L168 PolarHBondContact O-N 2.95Å; M165-L168 PolarHBondContact O-N 2.97Å; L168-H172 WeakPolarHBondContact O-CB 3.48Å; L168-H172 PolarHBondContact O-N 2.97Å
169I94.9Very high93.9Very high21 Ų2140.3 Ų40.311%0.10820%0.198CC..Hα-helixtrans-65.5-44.3175.3-65.7167.7000110.7M37 W40 M165 Y166 I167 H172 W173M37-I169 HydrophobicContact CE-CD1 3.83Å; M37-I169 HydrophobicContact CE-CG1 4.39Å; M37-I169 HydrophobicContact SD-CD1 4.31Å; W40-I169 HydrophobicContact CE3-CG2 4.13Å; M165-I169 HydrophobicContact CG-CD1 4.09Å; M165-I169 WeakPolarHBondContact O-CG1 3.14Å; M165-I169 PolarHBondContact O-N 3.13Å; Y166-I169 PolarHBondContact O-N 3.33Å; I167-I169 VanDerWaalsContact C-N 3.3Å; I167-I169 PolarHBondContact O-N 3.01Å; I169-H172 WeakPolarHBondContact O-CB 3.15Å; I169-H172 PolarHBondContact O-N 3.34Å; I169-W173 PolarHBondContact O-N 3.03Å
170I94.4Very high94.1Very high59 Ų5937.9 Ų37.930%0.30320%0.197SC..Hα-helixtrans-64-46.4-179.8-67.2160.9000110.9Y166 I167 H172 W173 N174 L223 I251Y166-I170 WeakPolarHBondContact O-CD1 3.33Å; Y166-I170 VanDerWaalsContact O-CG1 3.26Å; Y166-I170 WeakPolarHBondContact O-CG1 3.44Å; Y166-I170 PolarHBondContact O-N 3.43Å; I167-I170 PolarHBondContact O-N 2.96Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.48Å; I170-W173 PolarHBondContact O-N 3.36Å; I170-N174 WeakPolarHBondContact O-CB 3.42Å; I170-N174 PolarHBondContact O-N 2.95Å; I170-L223 HydrophobicContact CG2-CD1 4.05Å; I170-I251 HydrophobicContact CD1-CD1 4.32Å; I170-I251 HydrophobicContact CD1-CG2 3.98Å; I170-I251 HydrophobicContact CG2-CD1 4.08Å
171I95.3Very high94.4Very high16 Ų1638 Ų388%0.08220%0.196CC..Hα-helixtrans-60.7-42.7175.3-64.5172.3000110.3I167 W173 N174 A175 L216 S219 T220 L223I167-I171 HydrophobicContact CG2-CD1 3.62Å; I167-I171 HydrophobicContact CG2-CG1 4.27Å; I167-I171 WeakPolarHBondContact O-CG1 3.46Å; I167-I171 PolarHBondContact O-N 2.91Å; I171-W173 PolarHBondContact O-N 2.99Å; I171-N174 PolarHBondContact O-N 2.94Å; I171-A175 VanDerWaalsContact O-CB 3.26Å; I171-A175 WeakPolarHBondContact O-CB 3.2Å; I171-A175 PolarHBondContact O-N 2.91Å; I171-L216 HydrophobicContact CG2-CD1 3.7Å; I171-L216 HydrophobicContact CG2-CG 4.24Å; I171-S219 PolarHBondContact O-OG 3.11Å; I171-S219 VanDerWaalsContact O-OG 3.09Å; I171-T220 WeakPolarHBondContact CG2-OG1 3.46Å; I171-L223 HydrophobicContact CB-CD1 4.44Å; I171-L223 HydrophobicContact CG1-CD1 3.94Å
172H96.6Very high94.6Very high16 Ų1636.3 Ų36.37%0.07418%0.178CC..Hα-helixtrans-59.7-46.7176.2170.474000112.4T41 L168 I169 I170 A175 C176 Y212T41-H172 PolarHBondContact O-NE2 2.61Å; L168-H172 WeakPolarHBondContact O-CB 3.48Å; L168-H172 PolarHBondContact O-N 2.97Å; I169-H172 WeakPolarHBondContact O-CB 3.15Å; I169-H172 PolarHBondContact O-N 3.34Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.48Å; H172-A175 PolarHBondContact O-N 2.95Å; H172-C176 PolarHBondContact O-N 3.05Å; H172-C176 PolarHBondContact O-SG 3.42Å; H172-Y212 AromaticContact CE1-CE2 3.81Å; H172-Y212 AromaticContact ND1-CE2 3.46Å; H172-Y212 WeakPolarHBondContact ND1-CE2 3.26Å; H172-Y212 AromaticContact ND1-CZ 3.6Å; H172-Y212 PolarHBondContact ND1-OH 3.35Å
173W96.8Very high94.7Very high46 Ų4639.3 Ų39.317%0.17419%0.19CC..Hα-helixtrans-64-45.3178.2-86.665.5000112W40 I44 L135 I169 I170 I171 A175 C176 F177W40-W173 HydrophobicContact CE3-CZ2 4.09Å; W40-W173 HydrophobicContact CZ3-CZ2 4.4Å; W40-W173 PolarHBondContact O-NE1 3.08Å; I44-W173 HydrophobicContact CB-CD2 4.39Å; I44-W173 HydrophobicContact CB-CH2 4.36Å; I44-W173 HydrophobicContact CB-CZ2 4.23Å; I44-W173 HydrophobicContact CB-CZ3 4.5Å; I44-W173 HydrophobicContact CD1-CE3 4.47Å; I44-W173 HydrophobicContact CD1-CZ3 4.37Å; I44-W173 HydrophobicContact CG1-CD2 4.28Å; I44-W173 HydrophobicContact CG1-CE3 4.12Å; I44-W173 HydrophobicContact CG1-CZ3 4.33Å; I44-W173 HydrophobicContact CG2-CD2 4.07Å; I44-W173 HydrophobicContact CG2-CG 4.31Å; I44-W173 HydrophobicContact CG2-CZ2 4.13Å; L135-W173 HydrophobicContact CD1-CH2 3.54Å; L135-W173 HydrophobicContact CD1-CZ2 3.87Å; I169-W173 PolarHBondContact O-N 3.03Å; I170-W173 PolarHBondContact O-N 3.36Å; I171-W173 PolarHBondContact O-N 2.99Å; W173-A175 PolarHBondContact O-N 3.27Å; W173-C176 WeakPolarHBondContact O-CB 3.17Å; W173-C176 PolarHBondContact O-N 3.46Å; W173-F177 AromaticContact CE3-CE2 3.83Å; W173-F177 HydrophobicContact CE3-CE2 3.83Å; W173-F177 AromaticContact CE3-CZ 3.74Å; W173-F177 HydrophobicContact CE3-CZ 3.74Å; W173-F177 HydrophobicContact CZ3-CZ 4.05Å; W173-F177 VanDerWaalsContact O-CD2 3.27Å; W173-F177 WeakPolarHBondContact O-CD2 3.48Å; W173-F177 PolarHBondContact O-N 3.14Å
174N95.9Very high94.9Very high10 Ų1042.7 Ų42.75%0.05322%0.215CC..Hα-helixtrans-65.4-38.9177.7-178.532.7000111.7I170 I171 C176 F177 Y178 S219 L223 D244I170-N174 WeakPolarHBondContact O-CB 3.42Å; I170-N174 PolarHBondContact O-N 2.95Å; I171-N174 PolarHBondContact O-N 2.94Å; N174-C176 VanDerWaalsContact C-N 3.31Å; N174-C176 PolarHBondContact O-N 2.78Å; N174-F177 PolarHBondContact O-N 2.74Å; N174-Y178 WeakPolarHBondContact O-CB 2.89Å; N174-Y178 PolarHBondContact O-N 3.49Å; N174-S219 VanDerWaalsContact CB-OG 3.23Å; N174-S219 WeakPolarHBondContact CB-OG 3.42Å; N174-S219 PolarHBondContact ND2-OG 3.31Å; N174-L223 HydrophobicContact CB-CD1 3.83Å; N174-L223 WeakPolarHBondContact ND2-CG 3.44Å; N174-D244 VanDerWaalsContact ND2-CG 3.3Å; N174-D244 PolarHBondContact ND2-OD1 2.89Å; N174-D244 VanDerWaalsContact ND2-OD1 3.09Å; N174-D244 PolarHBondContact ND2-OD2 3.31Å; N174-D244 PolarHBondContact OD1-OD1 2.9Å; N174-D244 PolarHBondContact OD1-OD2 2.91Å
175A96.7Very high95Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-57.9-42.7171.900000112.6I171 H172 W173 Y178 F179 S215 L216 S219I171-A175 VanDerWaalsContact O-CB 3.26Å; I171-A175 WeakPolarHBondContact O-CB 3.2Å; I171-A175 PolarHBondContact O-N 2.91Å; H172-A175 PolarHBondContact O-N 2.95Å; W173-A175 PolarHBondContact O-N 3.27Å; A175-Y178 PolarHBondContact O-N 3.49Å; A175-F179 PolarHBondContact O-N 3.3Å; A175-S215 WeakPolarHBondContact CB-O 3.36Å; A175-L216 HydrophobicContact CB-CB 4.4Å; A175-L216 HydrophobicContact CB-CD1 4.13Å; A175-S219 PolarHBondContact N-OG 2.95Å
176C96.9Very high95.1Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-64.1-44.1175.9-64.90000111.4I44 C48 H172 W173 N174 F179 S180I44-C176 HydrophobicContact CG1-CB 3.73Å; C48-C176 HydrophobicContact CB-CB 3.95Å; C48-C176 WeakPolarHBondContact CB-O 3.38Å; C48-C176 PolarHBondContact SG-O 3.34Å; H172-C176 PolarHBondContact O-N 3.05Å; H172-C176 PolarHBondContact O-SG 3.42Å; W173-C176 WeakPolarHBondContact O-CB 3.17Å; W173-C176 PolarHBondContact O-N 3.46Å; N174-C176 VanDerWaalsContact C-N 3.31Å; N174-C176 PolarHBondContact O-N 2.78Å; C176-F179 PolarHBondContact O-N 3.28Å; C176-S180 WeakPolarHBondContact O-CB 3.28Å; C176-S180 PolarHBondContact O-N 3.16Å
177F95.8Very high95.2Very high96 Ų9639.4 Ų39.442%0.42121%0.208SC..Hα-helixtrans-62.6-45175.9-70.8-45.9000112.5I44 W173 N174 F179 S180 F181 F240I44-F177 HydrophobicContact CD1-CE1 4.02Å; I44-F177 HydrophobicContact CD1-CZ 4.45Å; W173-F177 AromaticContact CE3-CE2 3.83Å; W173-F177 HydrophobicContact CE3-CE2 3.83Å; W173-F177 AromaticContact CE3-CZ 3.74Å; W173-F177 HydrophobicContact CE3-CZ 3.74Å; W173-F177 HydrophobicContact CZ3-CZ 4.05Å; W173-F177 VanDerWaalsContact O-CD2 3.27Å; W173-F177 WeakPolarHBondContact O-CD2 3.48Å; W173-F177 PolarHBondContact O-N 3.14Å; N174-F177 PolarHBondContact O-N 2.74Å; F177-F179 PolarHBondContact O-N 3.08Å; F177-S180 PolarHBondContact O-N 2.94Å; F177-F181 WeakPolarHBondContact O-CB 3.38Å; F177-F181 PolarHBondContact O-N 2.92Å; F177-F240 HydrophobicContact CB-CE2 4.42Å; F177-F240 HydrophobicContact CB-CZ 4.45Å
178Y95.7Very high95.2Very high3 Ų339.3 Ų39.31%0.01222%0.217CC..Hα-helixtrans-57.2-47.9175.8167.2-107.4000112N174 A175 F181 S182 W192 Y194 F214 W218N174-Y178 WeakPolarHBondContact O-CB 2.89Å; N174-Y178 PolarHBondContact O-N 3.49Å; A175-Y178 PolarHBondContact O-N 3.49Å; Y178-F181 PolarHBondContact O-N 3.02Å; Y178-S182 WeakPolarHBondContact O-CB 3.37Å; Y178-S182 PolarHBondContact O-N 2.91Å; Y178-S182 PolarHBondContact O-OG 3.03Å; Y178-W192 HydrophobicContact CD2-CH2 4.1Å; Y178-W192 HydrophobicContact CD2-CZ2 4.18Å; Y178-W192 HydrophobicContact CE2-CH2 4.23Å; Y178-W192 HydrophobicContact CE2-CZ2 4.21Å; Y178-W192 HydrophobicContact CE2-CZ3 4.44Å; Y178-W192 PolarHBondContact OH-O 2.91Å; Y178-Y194 PolarHBondContact OH-N 3.49Å; Y178-F214 HydrophobicContact CE1-CD1 4.46Å; Y178-F214 HydrophobicContact CE1-CE1 4.3Å; Y178-W218 HydrophobicContact CD1-CB 4.18Å; Y178-W218 HydrophobicContact CD1-CD2 4.02Å; Y178-W218 HydrophobicContact CD1-CE3 4Å; Y178-W218 HydrophobicContact CD1-CG 4.08Å; Y178-W218 AromaticContact CD2-CD2 3.58Å; Y178-W218 HydrophobicContact CD2-CD2 3.58Å; Y178-W218 AromaticContact CD2-CE2 3.68Å; Y178-W218 AromaticContact CD2-CE3 3.6Å; Y178-W218 HydrophobicContact CD2-CE3 3.6Å; Y178-W218 HydrophobicContact CD2-CG 4.26Å; Y178-W218 AromaticContact CD2-CH2 3.97Å; Y178-W218 HydrophobicContact CD2-CH2 3.97Å; Y178-W218 AromaticContact CD2-CZ2 3.9Å; Y178-W218 HydrophobicContact CD2-CZ2 3.9Å; Y178-W218 AromaticContact CD2-CZ3 3.81Å; Y178-W218 HydrophobicContact CD2-CZ3 3.81Å; Y178-W218 HydrophobicContact CE1-CB 3.95Å; Y178-W218 HydrophobicContact CE1-CD2 4.12Å; Y178-W218 AromaticContact CE1-CG 3.81Å; Y178-W218 HydrophobicContact CE1-CG 3.81Å; Y178-W218 AromaticContact CE2-CD1 3.95Å; Y178-W218 AromaticContact CE2-CD2 3.7Å; Y178-W218 HydrophobicContact CE2-CD2 3.7Å; Y178-W218 AromaticContact CE2-CE2 3.57Å; Y178-W218 HydrophobicContact CE2-CE3 4.22Å; Y178-W218 HydrophobicContact CE2-CG 4.01Å; Y178-W218 HydrophobicContact CE2-CZ2 4.07Å; Y178-W218 AromaticContact CE2-NE1 3.66Å; Y178-W218 AromaticContact CG-CD2 3.75Å; Y178-W218 HydrophobicContact CG-CD2 3.75Å; Y178-W218 AromaticContact CG-CE3 3.47Å; Y178-W218 HydrophobicContact CG-CE3 3.47Å; Y178-W218 VanDerWaalsContact CG-CE3 3.47Å; Y178-W218 HydrophobicContact CG-CG 4.3Å; Y178-W218 AromaticContact CG-CZ3 3.92Å; Y178-W218 HydrophobicContact CG-CZ3 3.92Å; Y178-W218 AromaticContact CZ-CD1 3.71Å; Y178-W218 AromaticContact CZ-CD2 3.97Å; Y178-W218 AromaticContact CZ-CG 3.77Å; Y178-W218 AromaticContact CZ-NE1 3.9Å
179F96.3Very high95.1Very high10 Ų1037.2 Ų37.24%0.04422%0.215CC..Hα-helixtrans-62.7-45.5178.3-171.7-99.4000111.8C48 F49 A175 C176 F177 F181 S182 K183 F187 Y194 K211 S215C48-F179 WeakPolarHBondContact O-CD1 3.27Å; C48-F179 WeakPolarHBondContact O-CE1 3.42Å; F49-F179 AromaticContact CD1-CD1 3.73Å; F49-F179 HydrophobicContact CD1-CD1 3.73Å; F49-F179 AromaticContact CD1-CE1 3.71Å; F49-F179 HydrophobicContact CD1-CE1 3.71Å; F49-F179 HydrophobicContact CD1-CG 4.16Å; F49-F179 HydrophobicContact CD1-CZ 4.13Å; F49-F179 HydrophobicContact CE1-CB 4.07Å; F49-F179 AromaticContact CE1-CD1 3.55Å; F49-F179 HydrophobicContact CE1-CD1 3.55Å; F49-F179 AromaticContact CE1-CD2 3.76Å; F49-F179 HydrophobicContact CE1-CD2 3.76Å; F49-F179 AromaticContact CE1-CE1 3.87Å; F49-F179 HydrophobicContact CE1-CE1 3.87Å; F49-F179 HydrophobicContact CE1-CE2 4.07Å; F49-F179 AromaticContact CE1-CG 3.49Å; F49-F179 HydrophobicContact CE1-CG 3.49Å; F49-F179 VanDerWaalsContact CE1-CG 3.49Å; F49-F179 HydrophobicContact CE1-CZ 4.13Å; F49-F179 HydrophobicContact CG-CD1 4.4Å; F49-F179 HydrophobicContact CZ-CB 3.89Å; F49-F179 HydrophobicContact CZ-CD1 4.08Å; F49-F179 HydrophobicContact CZ-CD2 4.37Å; F49-F179 AromaticContact CZ-CG 3.84Å; F49-F179 HydrophobicContact CZ-CG 3.84Å; A175-F179 PolarHBondContact O-N 3.3Å; C176-F179 PolarHBondContact O-N 3.28Å; F177-F179 PolarHBondContact O-N 3.08Å; F179-F181 VanDerWaalsContact C-N 3.34Å; F179-F181 PolarHBondContact O-N 3.23Å; F179-S182 PolarHBondContact O-N 3.26Å; F179-K183 PolarHBondContact O-N 3.25Å; F179-F187 HydrophobicContact CD2-CE1 4.46Å; F179-F187 AromaticContact CE1-CZ 3.97Å; F179-F187 HydrophobicContact CE1-CZ 3.97Å; F179-F187 HydrophobicContact CE2-CE1 4.03Å; F179-F187 AromaticContact CE2-CZ 3.99Å; F179-F187 HydrophobicContact CE2-CZ 3.99Å; F179-F187 HydrophobicContact CZ-CE1 4.07Å; F179-F187 HydrophobicContact CZ-CE2 4.39Å; F179-F187 AromaticContact CZ-CZ 3.57Å; F179-F187 HydrophobicContact CZ-CZ 3.57Å; F179-Y194 AromaticContact CD2-CD2 3.86Å; F179-Y194 HydrophobicContact CD2-CD2 3.86Å; F179-Y194 HydrophobicContact CD2-CE2 4.28Å; F179-Y194 HydrophobicContact CD2-CG 4.06Å; F179-Y194 HydrophobicContact CE2-CD1 4.06Å; F179-Y194 AromaticContact CE2-CD2 3.97Å; F179-Y194 HydrophobicContact CE2-CD2 3.97Å; F179-Y194 HydrophobicContact CE2-CE1 4.28Å; F179-Y194 HydrophobicContact CE2-CE2 4.15Å; F179-Y194 AromaticContact CE2-CG 3.94Å; F179-Y194 HydrophobicContact CE2-CG 3.94Å; F179-K211 HydrophobicContact CE2-CB 3.84Å; F179-K211 HydrophobicContact CE2-CD 4.25Å; F179-K211 HydrophobicContact CE2-CG 3.94Å; F179-K211 HydrophobicContact CZ-CB 4.17Å; F179-K211 HydrophobicContact CZ-CD 3.9Å; F179-K211 HydrophobicContact CZ-CG 4.12Å; F179-S215 WeakPolarHBondContact CD2-OG 3.42Å
180S95.5Very high95Very high50 Ų5037.8 Ų37.835%0.3522%0.219SC..Hα-helixtrans-65.2-36.4178.2-171.60000112.7C176 F177 K183 S184C176-S180 WeakPolarHBondContact O-CB 3.28Å; C176-S180 PolarHBondContact O-N 3.16Å; F177-S180 PolarHBondContact O-N 2.94Å; S180-K183 WeakPolarHBondContact O-CB 3.28Å; S180-K183 PolarHBondContact O-N 2.85Å; S180-S184 PolarHBondContact O-N 3.35Å
181F95.6Very high94.7Very high51 Ų5142 Ų4222%0.22424%0.242CC..Hα-helixtrans-71.3-44.3178.3-167.7-97.1000110.6F177 Y178 F179 K183 S184 I185 W192 E237 F240F177-F181 WeakPolarHBondContact O-CB 3.38Å; F177-F181 PolarHBondContact O-N 2.92Å; Y178-F181 PolarHBondContact O-N 3.02Å; F179-F181 VanDerWaalsContact C-N 3.34Å; F179-F181 PolarHBondContact O-N 3.23Å; F181-K183 VanDerWaalsContact C-N 3.26Å; F181-K183 PolarHBondContact O-N 3.49Å; F181-S184 WeakPolarHBondContact O-CB 3.49Å; F181-S184 PolarHBondContact O-N 3.44Å; F181-S184 PolarHBondContact O-OG 3.29Å; F181-I185 HydrophobicContact CD1-CD1 3.98Å; F181-I185 HydrophobicContact CE1-CD1 3.6Å; F181-I185 HydrophobicContact CZ-CD1 4.34Å; F181-I185 PolarHBondContact O-N 2.92Å; F181-W192 AromaticContact CD1-CH2 3.78Å; F181-W192 HydrophobicContact CD1-CH2 3.78Å; F181-W192 AromaticContact CD1-CZ3 3.74Å; F181-W192 HydrophobicContact CD1-CZ3 3.74Å; F181-W192 HydrophobicContact CE1-CH2 4.09Å; F181-W192 AromaticContact CE1-CZ3 3.98Å; F181-W192 HydrophobicContact CE1-CZ3 3.98Å; F181-E237 HydrophobicContact CE1-CG 4.12Å; F181-F240 HydrophobicContact CD1-CG 4.31Å; F181-F240 HydrophobicContact CD2-CD2 4.24Å; F181-F240 HydrophobicContact CE1-CB 4.04Å; F181-F240 HydrophobicContact CE1-CG 4.27Å; F181-F240 HydrophobicContact CE2-CB 4.45Å; F181-F240 HydrophobicContact CE2-CD2 4.44Å; F181-F240 HydrophobicContact CG-CD2 4.29Å; F181-F240 HydrophobicContact CG-CG 4.49Å; F181-F240 HydrophobicContact CZ-CB 3.97Å; F181-F240 HydrophobicContact CZ-CG 4.44Å
182S95.7Very high94.6Very high0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-55.4-42.1171.5-62.10000111.9Y178 F179 S184 I185 G186 Y194Y178-S182 WeakPolarHBondContact O-CB 3.37Å; Y178-S182 PolarHBondContact O-N 2.91Å; Y178-S182 PolarHBondContact O-OG 3.03Å; F179-S182 PolarHBondContact O-N 3.26Å; S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 3.02Å; S182-I185 PolarHBondContact O-N 3.47Å; S182-G186 CarbonylContact O-C 3.58Å; S182-G186 PolarHBondContact O-N 3.36Å; S182-Y194 PolarHBondContact OG-N 3.1Å; S182-Y194 VanDerWaalsContact OG-N 3.12Å
183K94.3Very high94.5Very high80 Ų8040.7 Ų40.735%0.34824%0.235SC..Hα-helixtrans-60-38.5175.6-174.9177.6177.51720112.6E50 F179 S180 F181 I185 F187E50-K183 IonicContact OE1-NZ 2.65Å; E50-K183 PolarHBondContact OE1-NZ 2.88Å; E50-K183 IonicContact OE2-NZ 3.09Å; E50-K183 PolarHBondContact OE2-NZ 3.36Å; F179-K183 PolarHBondContact O-N 3.25Å; S180-K183 WeakPolarHBondContact O-CB 3.28Å; S180-K183 PolarHBondContact O-N 2.85Å; F181-K183 VanDerWaalsContact C-N 3.26Å; F181-K183 PolarHBondContact O-N 3.49Å; K183-I185 VanDerWaalsContact C-N 3.31Å; K183-I185 PolarHBondContact O-N 3.27Å; K183-F187 VanDerWaalsContact CA-CE1 3.48Å; K183-F187 HydrophobicContact CB-CE1 3.7Å; K183-F187 HydrophobicContact CB-CE2 4.31Å; K183-F187 HydrophobicContact CB-CZ 3.51Å; K183-F187 HydrophobicContact CD-CZ 4.3Å; K183-F187 HydrophobicContact CG-CE1 4.4Å; K183-F187 HydrophobicContact CG-CE2 4.13Å; K183-F187 HydrophobicContact CG-CZ 3.77Å
184S94.4Very high94.4Very high90 Ų9038.5 Ų38.563%0.62923%0.227SC*.Hα-helixtrans-70.3-27.8-177.574.60000113.5S180 F181 S182S180-S184 PolarHBondContact O-N 3.35Å; F181-S184 WeakPolarHBondContact O-CB 3.49Å; F181-S184 PolarHBondContact O-N 3.44Å; F181-S184 PolarHBondContact O-OG 3.29Å; S182-S184 VanDerWaalsContact C-N 3.29Å; S182-S184 PolarHBondContact O-N 3.02Å
185I94.3Very high94.3Very high49 Ų4939.4 Ų39.425%0.25123%0.234SC..Hα-helixtrans-83.7-42.6174.8-62.3177.9000110F181 S182 K183 A189 V193 L234 E237F181-I185 HydrophobicContact CD1-CD1 3.98Å; F181-I185 HydrophobicContact CE1-CD1 3.6Å; F181-I185 HydrophobicContact CZ-CD1 4.34Å; F181-I185 PolarHBondContact O-N 2.92Å; S182-I185 PolarHBondContact O-N 3.47Å; K183-I185 VanDerWaalsContact C-N 3.31Å; K183-I185 PolarHBondContact O-N 3.27Å; I185-A189 HydrophobicContact CG2-CB 4.13Å; I185-V193 HydrophobicContact CB-CG1 4.17Å; I185-V193 HydrophobicContact CD1-CG1 4.17Å; I185-V193 HydrophobicContact CG2-CG1 4.08Å; I185-L234 HydrophobicContact CD1-CD1 4.3Å; I185-L234 HydrophobicContact CG2-CD1 3.81Å; I185-E237 HydrophobicContact CD1-CG 3.53Å; I185-E237 VanDerWaalsContact CD1-OE1 3.26Å; I185-E237 WeakPolarHBondContact CD1-OE1 3.49Å
186G94.4Very high94.1Very high26 Ų2640.7 Ų40.727%0.26825%0.245SC..  trans125.9129.6-176.900000109.9S182 G188 A189 V193S182-G186 CarbonylContact O-C 3.58Å; S182-G186 PolarHBondContact O-N 3.36Å; G186-G188 PolarHBondContact O-N 3.34Å; G186-A189 VanDerWaalsContact O-CB 3.3Å; G186-A189 WeakPolarHBondContact O-CB 3.09Å; G186-A189 PolarHBondContact O-N 2.91Å; G186-V193 WeakPolarHBondContact O-CG2 3.29Å
187F94.6Very high93.8Very high53 Ų5343.4 Ų43.423%0.23226%0.258CS..THydrogen-bonded Turntrans-65.4134.2178-59.4-46.7000110.9F179 K183 A189 Y194 L197F179-F187 HydrophobicContact CD2-CE1 4.46Å; F179-F187 AromaticContact CE1-CZ 3.97Å; F179-F187 HydrophobicContact CE1-CZ 3.97Å; F179-F187 HydrophobicContact CE2-CE1 4.03Å; F179-F187 AromaticContact CE2-CZ 3.99Å; F179-F187 HydrophobicContact CE2-CZ 3.99Å; F179-F187 HydrophobicContact CZ-CE1 4.07Å; F179-F187 HydrophobicContact CZ-CE2 4.39Å; F179-F187 AromaticContact CZ-CZ 3.57Å; F179-F187 HydrophobicContact CZ-CZ 3.57Å; K183-F187 VanDerWaalsContact CA-CE1 3.48Å; K183-F187 HydrophobicContact CB-CE1 3.7Å; K183-F187 HydrophobicContact CB-CE2 4.31Å; K183-F187 HydrophobicContact CB-CZ 3.51Å; K183-F187 HydrophobicContact CD-CZ 4.3Å; K183-F187 HydrophobicContact CG-CE1 4.4Å; K183-F187 HydrophobicContact CG-CE2 4.13Å; K183-F187 HydrophobicContact CG-CZ 3.77Å; F187-A189 PolarHBondContact O-N 3.38Å; F187-Y194 CarbonylContact C-O 3.49Å; F187-Y194 WeakPolarHBondContact CA-O 3.45Å; F187-Y194 HydrophobicContact CD1-CD1 4.05Å; F187-Y194 HydrophobicContact CD1-CG 4.33Å; F187-Y194 HydrophobicContact CE1-CD1 4.37Å; F187-Y194 HydrophobicContact CE1-CG 4.49Å; F187-Y194 HydrophobicContact CG-CD1 4.45Å; F187-L197 HydrophobicContact CB-CG 4.45Å; F187-L197 HydrophobicContact CD2-CD1 3.47Å; F187-L197 VanDerWaalsContact CD2-CD1 3.47Å; F187-L197 HydrophobicContact CD2-CD2 4.46Å; F187-L197 HydrophobicContact CD2-CG 3.68Å; F187-L197 HydrophobicContact CE2-CD1 3.58Å; F187-L197 HydrophobicContact CE2-CG 4.21Å; F187-L197 HydrophobicContact CG-CD1 4.48Å; F187-L197 HydrophobicContact CG-CG 4.27Å
188G91.5Very high93.3Very high40 Ų4045.6 Ų45.641%0.41228%0.275SS..THydrogen-bonded Turntrans66.717.3-176.700000115.2G186 D190 Y194G186-G188 PolarHBondContact O-N 3.34Å; G188-D190 PolarHBondContact O-N 3.01Å; G188-Y194 PolarHBondContact N-O 3.12Å
189A91.5Very high92.8Very high65 Ų6548.2 Ų48.254%0.53729%0.289SS..SBendtrans-64.6-31.6175.300000112.6I185 G186 F187 V193I185-A189 HydrophobicContact CG2-CB 4.13Å; G186-A189 VanDerWaalsContact O-CB 3.3Å; G186-A189 WeakPolarHBondContact O-CB 3.09Å; G186-A189 PolarHBondContact O-N 2.91Å; F187-A189 PolarHBondContact O-N 3.38Å; A189-V193 HydrophobicContact CB-CG2 4.25Å
190D92Very high92.2Very high34 Ų3453.3 Ų53.318%0.18232%0.323CS..SBendtrans-155.9-179.6176.454.866.2000110G188 W192 V193 A233 E237G188-D190 PolarHBondContact O-N 3.01Å; D190-W192 VanDerWaalsContact C-N 3.3Å; D190-W192 PolarHBondContact O-N 3.28Å; D190-W192 WeakPolarHBondContact OD1-CA 3.15Å; D190-W192 WeakPolarHBondContact OD1-CB 3.23Å; D190-W192 PolarHBondContact OD1-N 2.94Å; D190-V193 VanDerWaalsContact O-CG2 3.3Å; D190-V193 WeakPolarHBondContact O-CG2 3.41Å; D190-V193 PolarHBondContact OD1-N 3.03Å; D190-A233 HydrophobicContact CB-CB 4.16Å; D190-E237 VanDerWaalsContact OD2-OE1 3.1Å
191D89.9Confident91.8Very high146 Ų14659.4 Ų59.478%0.78135%0.346SS*.SBendtrans-74.2-15.9-177.1-62.4-29.3000113.6P230D191-P230 HydrophobicContact CB-CB 4.06Å; D191-P230 WeakPolarHBondContact O-CB 3.49Å; D191-P230 VanDerWaalsContact O-CG 3.29Å; D191-P230 WeakPolarHBondContact O-CG 3.43Å
192W92.8Very high91.5Very high2 Ų261.7 Ų61.71%0.00836%0.357CS..SBendtrans-86.5-40.6-176.7-179.880.6000112.2Y178 F181 D190 W218 P230 E237 F240 H241Y178-W192 HydrophobicContact CD2-CH2 4.1Å; Y178-W192 HydrophobicContact CD2-CZ2 4.18Å; Y178-W192 HydrophobicContact CE2-CH2 4.23Å; Y178-W192 HydrophobicContact CE2-CZ2 4.21Å; Y178-W192 HydrophobicContact CE2-CZ3 4.44Å; Y178-W192 PolarHBondContact OH-O 2.91Å; F181-W192 AromaticContact CD1-CH2 3.78Å; F181-W192 HydrophobicContact CD1-CH2 3.78Å; F181-W192 AromaticContact CD1-CZ3 3.74Å; F181-W192 HydrophobicContact CD1-CZ3 3.74Å; F181-W192 HydrophobicContact CE1-CH2 4.09Å; F181-W192 AromaticContact CE1-CZ3 3.98Å; F181-W192 HydrophobicContact CE1-CZ3 3.98Å; D190-W192 VanDerWaalsContact C-N 3.3Å; D190-W192 PolarHBondContact O-N 3.28Å; D190-W192 WeakPolarHBondContact OD1-CA 3.15Å; D190-W192 WeakPolarHBondContact OD1-CB 3.23Å; D190-W192 PolarHBondContact OD1-N 2.94Å; W192-W218 AromaticContact CE2-CZ2 3.8Å; W192-W218 HydrophobicContact CZ2-CH2 4.01Å; W192-W218 AromaticContact CZ2-CZ2 3.61Å; W192-W218 HydrophobicContact CZ2-CZ2 3.61Å; W192-W218 AromaticContact NE1-CZ2 3.57Å; W192-P230 VanDerWaalsContact CD1-O 3.27Å; W192-E237 HydrophobicContact CD2-CB 4.24Å; W192-E237 HydrophobicContact CD2-CG 4.31Å; W192-E237 HydrophobicContact CE3-CB 3.93Å; W192-E237 HydrophobicContact CE3-CG 3.55Å; W192-E237 HydrophobicContact CH2-CB 4.45Å; W192-E237 HydrophobicContact CH2-CG 4.46Å; W192-E237 HydrophobicContact CZ3-CB 4.05Å; W192-E237 HydrophobicContact CZ3-CG 3.65Å; W192-F240 AromaticContact CH2-CD1 3.56Å; W192-F240 HydrophobicContact CH2-CD1 3.56Å; W192-F240 AromaticContact CH2-CE1 3.95Å; W192-F240 HydrophobicContact CH2-CE1 3.95Å; W192-F240 HydrophobicContact CH2-CG 4.42Å; W192-F240 AromaticContact CZ2-CD1 3.69Å; W192-F240 HydrophobicContact CZ2-CD1 3.69Å; W192-F240 HydrophobicContact CZ2-CE1 4.04Å; W192-H241 AromaticContact NE1-CE1 3.87Å; W192-H241 AromaticContact NE1-ND1 3.22Å; W192-H241 PolarHBondContact NE1-ND1 3.48Å
193V94.6Very high91.1Very high3 Ų365.6 Ų65.62%0.01838%0.383CS..SBendtrans-67.2164.8177-63.20000112.2I185 G186 A189 D190I185-V193 HydrophobicContact CB-CG1 4.17Å; I185-V193 HydrophobicContact CD1-CG1 4.17Å; I185-V193 HydrophobicContact CG2-CG1 4.08Å; G186-V193 WeakPolarHBondContact O-CG2 3.29Å; A189-V193 HydrophobicContact CB-CG2 4.25Å; D190-V193 VanDerWaalsContact O-CG2 3.3Å; D190-V193 WeakPolarHBondContact O-CG2 3.41Å; D190-V193 PolarHBondContact OD1-N 3.03Å
194Y94.7Very high90.9Very high0 Ų067.1 Ų67.10%039%0.391CS..PPolyproline II helixtrans-55.6136.6173.4-173-87000111.4Y178 F179 S182 F187 G188 L197 F205 K211 F214Y178-Y194 PolarHBondContact OH-N 3.49Å; F179-Y194 AromaticContact CD2-CD2 3.86Å; F179-Y194 HydrophobicContact CD2-CD2 3.86Å; F179-Y194 HydrophobicContact CD2-CE2 4.28Å; F179-Y194 HydrophobicContact CD2-CG 4.06Å; F179-Y194 HydrophobicContact CE2-CD1 4.06Å; F179-Y194 AromaticContact CE2-CD2 3.97Å; F179-Y194 HydrophobicContact CE2-CD2 3.97Å; F179-Y194 HydrophobicContact CE2-CE1 4.28Å; F179-Y194 HydrophobicContact CE2-CE2 4.15Å; F179-Y194 AromaticContact CE2-CG 3.94Å; F179-Y194 HydrophobicContact CE2-CG 3.94Å; S182-Y194 PolarHBondContact OG-N 3.1Å; S182-Y194 VanDerWaalsContact OG-N 3.12Å; F187-Y194 CarbonylContact C-O 3.49Å; F187-Y194 WeakPolarHBondContact CA-O 3.45Å; F187-Y194 HydrophobicContact CD1-CD1 4.05Å; F187-Y194 HydrophobicContact CD1-CG 4.33Å; F187-Y194 HydrophobicContact CE1-CD1 4.37Å; F187-Y194 HydrophobicContact CE1-CG 4.49Å; F187-Y194 HydrophobicContact CG-CD1 4.45Å; G188-Y194 PolarHBondContact N-O 3.12Å; Y194-L197 HydrophobicContact CD1-CD2 4.04Å; Y194-L197 HydrophobicContact CE1-CD2 3.49Å; Y194-L197 VanDerWaalsContact CE1-CD2 3.49Å; Y194-F205 HydrophobicContact CE1-CB 4.1Å; Y194-F205 HydrophobicContact CE1-CD1 4.34Å; Y194-F205 HydrophobicContact CE2-CD1 4.43Å; Y194-F205 AromaticContact CZ-CD1 3.85Å; Y194-F205 WeakPolarHBondContact OH-CA 3.48Å; Y194-F205 WeakPolarHBondContact OH-CD1 3.41Å; Y194-F205 PolarHBondContact OH-O 2.84Å; Y194-K211 HydrophobicContact CE1-CG 4.28Å; Y194-K211 HydrophobicContact CE2-CB 4.49Å; Y194-K211 VanDerWaalsContact OH-CA 3.28Å; Y194-K211 WeakPolarHBondContact OH-CA 3.33Å; Y194-K211 WeakPolarHBondContact OH-CG 3.41Å; Y194-K211 PolarHBondContact OH-N 2.94Å; Y194-F214 AromaticContact CD2-CD1 3.64Å; Y194-F214 HydrophobicContact CD2-CD1 3.64Å; Y194-F214 HydrophobicContact CD2-CE1 4.19Å; Y194-F214 HydrophobicContact CE2-CB 3.99Å; Y194-F214 AromaticContact CE2-CD1 3.68Å; Y194-F214 HydrophobicContact CE2-CD1 3.68Å; Y194-F214 HydrophobicContact CE2-CG 4.12Å
195P93.9Very high90.7Very high30 Ų3063.5 Ų63.520%0.19536%0.364CS..PPolyproline II helixtrans-56157.4-177.7-29.537.6000114.8L197 F205 F214P195-L197 PolarHBondContact O-N 2.96Å; P195-F205 HydrophobicContact CB-CB 4.39Å; P195-F205 HydrophobicContact CB-CD1 3.95Å; P195-F205 HydrophobicContact CB-CD2 4.24Å; P195-F205 HydrophobicContact CB-CE1 4.27Å; P195-F205 HydrophobicContact CB-CG 3.94Å; P195-F205 HydrophobicContact CG-CD1 3.78Å; P195-F205 HydrophobicContact CG-CE1 3.69Å; P195-F205 HydrophobicContact CG-CG 4.26Å; P195-F205 HydrophobicContact CG-CZ 4.09Å; P195-F214 HydrophobicContact CG-CZ 4.34Å
196A92.3Very high90.4Very high27 Ų2762.3 Ų62.322%0.22336%0.364CS..PPolyproline II helixtrans-56.9137.2177.700000111.4D199A196-D199 HydrophobicContact CB-CB 4.35Å
197L90Very high90.2Very high56 Ų5666.4 Ų66.429%0.29338%0.376SS..SBendtrans-81.5-22-176.8-62.9-176000113.3F187 Y194 P195 F205F187-L197 HydrophobicContact CB-CG 4.45Å; F187-L197 HydrophobicContact CD2-CD1 3.47Å; F187-L197 VanDerWaalsContact CD2-CD1 3.47Å; F187-L197 HydrophobicContact CD2-CD2 4.46Å; F187-L197 HydrophobicContact CD2-CG 3.68Å; F187-L197 HydrophobicContact CE2-CD1 3.58Å; F187-L197 HydrophobicContact CE2-CG 4.21Å; F187-L197 HydrophobicContact CG-CD1 4.48Å; F187-L197 HydrophobicContact CG-CG 4.27Å; Y194-L197 HydrophobicContact CD1-CD2 4.04Å; Y194-L197 HydrophobicContact CE1-CD2 3.49Å; Y194-L197 VanDerWaalsContact CE1-CD2 3.49Å; P195-L197 PolarHBondContact O-N 2.96Å; L197-F205 VanDerWaalsContact CD2-O 3.3Å; L197-F205 WeakPolarHBondContact CD2-O 3.41Å
198D85Confident90Very high142 Ų14267.7 Ų67.776%0.75939%0.39SS*.SBendtrans-108.110.3-172.759.6-37000113.1P200D198-P200 VanDerWaalsContact O-CD 3.24Å; D198-P200 WeakPolarHBondContact O-CD 3.29Å
199D86.7Confident89.9Confident58 Ų5872.8 Ų72.831%0.3141%0.405SS..  trans-64.5117.1175.6-166.4-21.5000110.7A196 E201 E202A196-D199 HydrophobicContact CB-CB 4.35Å; D199-E201 PolarHBondContact O-N 3.32Å; D199-E201 WeakPolarHBondContact OD1-CB 3.44Å; D199-E201 PolarHBondContact OD1-N 2.86Å; D199-E202 CarbonylContact O-C 3.57Å; D199-E202 PolarHBondContact O-N 2.83Å
200P83.4Confident90Very high118 Ų11874.1 Ų74.177%0.76640%0.396SS*.SBendtrans-64.6-23.8177.2-18.932.5000113.7D198D198-P200 VanDerWaalsContact O-CD 3.24Å; D198-P200 WeakPolarHBondContact O-CD 3.29Å
201E87.4Confident90.1Very high177 Ų17772.9 Ų72.983%0.82739%0.389SS*.SBendtrans-80.1-30.1-179.6-60.3-168.5173.200111.8D199D199-E201 PolarHBondContact O-N 3.32Å; D199-E201 WeakPolarHBondContact OD1-CB 3.44Å; D199-E201 PolarHBondContact OD1-N 2.86Å
202E88.6Confident90.4Very high99 Ų9969.5 Ų69.546%0.46337%0.366SS..  trans-128.861-179.1-54.9-164.1137.700113.6D199 E204 F205D199-E202 CarbonylContact O-C 3.57Å; D199-E202 PolarHBondContact O-N 2.83Å; E202-E204 PolarHBondContact O-N 3.27Å; E202-F205 HydrophobicContact CB-CD2 3.69Å; E202-F205 HydrophobicContact CB-CE2 3.93Å; E202-F205 HydrophobicContact CG-CE2 4.44Å; E202-F205 PolarHBondContact O-N 2.78Å; E202-F205 WeakPolarHBondContact OE2-CE2 3.46Å
203P87.6Confident90.6Very high83 Ų8371.5 Ų71.554%0.53938%0.383SS..G310 helixtrans-65.9-12.3-174.528.8-37.3000114F205 G206P203-F205 VanDerWaalsContact C-N 3.26Å; P203-F205 PolarHBondContact O-N 2.86Å; P203-G206 PolarHBondContact O-N 3.2Å
204E89.9Confident90.6Very high111 Ų11173.5 Ų73.552%0.51939%0.391SS..G310 helixtrans-62.7-32.6178.9-61.6-173.2177.700112.1E202 G206 Q207 R210E202-E204 PolarHBondContact O-N 3.27Å; E204-G206 PolarHBondContact O-N 2.98Å; E204-Q207 WeakPolarHBondContact O-CB 2.98Å; E204-Q207 PolarHBondContact O-N 3.46Å; E204-R210 HydrophobicContact CB-CG 4.49Å; E204-R210 WeakPolarHBondContact O-CB 3.28Å; E204-R210 VanDerWaalsContact O-CG 3.24Å; E204-R210 WeakPolarHBondContact O-CG 3.29Å
205F90.3Very high90.6Very high14 Ų1473.5 Ų73.56%0.06139%0.391CS..G310 helixtrans-67.2-18.3179.4-69.4-80.6000113.3Y194 P195 L197 E202 P203 Q207 R210 K211 F214Y194-F205 HydrophobicContact CE1-CB 4.1Å; Y194-F205 HydrophobicContact CE1-CD1 4.34Å; Y194-F205 HydrophobicContact CE2-CD1 4.43Å; Y194-F205 AromaticContact CZ-CD1 3.85Å; Y194-F205 WeakPolarHBondContact OH-CA 3.48Å; Y194-F205 WeakPolarHBondContact OH-CD1 3.41Å; Y194-F205 PolarHBondContact OH-O 2.84Å; P195-F205 HydrophobicContact CB-CB 4.39Å; P195-F205 HydrophobicContact CB-CD1 3.95Å; P195-F205 HydrophobicContact CB-CD2 4.24Å; P195-F205 HydrophobicContact CB-CE1 4.27Å; P195-F205 HydrophobicContact CB-CG 3.94Å; P195-F205 HydrophobicContact CG-CD1 3.78Å; P195-F205 HydrophobicContact CG-CE1 3.69Å; P195-F205 HydrophobicContact CG-CG 4.26Å; P195-F205 HydrophobicContact CG-CZ 4.09Å; L197-F205 VanDerWaalsContact CD2-O 3.3Å; L197-F205 WeakPolarHBondContact CD2-O 3.41Å; E202-F205 HydrophobicContact CB-CD2 3.69Å; E202-F205 HydrophobicContact CB-CE2 3.93Å; E202-F205 HydrophobicContact CG-CE2 4.44Å; E202-F205 PolarHBondContact O-N 2.78Å; E202-F205 WeakPolarHBondContact OE2-CE2 3.46Å; P203-F205 VanDerWaalsContact C-N 3.26Å; P203-F205 PolarHBondContact O-N 2.86Å; F205-Q207 VanDerWaalsContact C-N 3.28Å; F205-Q207 PolarHBondContact O-N 2.91Å; F205-R210 HydrophobicContact CD1-CG 4.14Å; F205-K211 WeakPolarHBondContact O-CG 3.46Å; F205-F214 AromaticContact CE1-CD2 3.74Å; F205-F214 HydrophobicContact CE1-CD2 3.74Å; F205-F214 HydrophobicContact CE1-CE2 4.02Å; F205-F214 HydrophobicContact CE1-CG 4.15Å
206G87.8Confident90.7Very high25 Ų2574.6 Ų74.626%0.25840%0.395SS..G310 helixtrans-69.6-21169.900000114.3P203 E204 K211P203-G206 PolarHBondContact O-N 3.2Å; E204-G206 PolarHBondContact O-N 2.98Å; G206-K211 WeakPolarHBondContact O-CE 3.32Å; G206-K211 PolarHBondContact O-NZ 3.15Å
207Q90.4Very high90.8Very high111 Ų11179.9 Ų79.952%0.51941%0.411SS..SBendtrans-77.8137.8-172.1-59.7-179.912.100112.6E204 F205 M209 R210 K211E204-Q207 WeakPolarHBondContact O-CB 2.98Å; E204-Q207 PolarHBondContact O-N 3.46Å; F205-Q207 VanDerWaalsContact C-N 3.28Å; F205-Q207 PolarHBondContact O-N 2.91Å; Q207-M209 VanDerWaalsContact C-N 3.31Å; Q207-M209 PolarHBondContact O-N 2.91Å; Q207-R210 HydrophobicContact CB-CB 4.19Å; Q207-R210 PolarHBondContact O-N 2.87Å; Q207-K211 WeakPolarHBondContact O-CG 3.37Å; Q207-K211 PolarHBondContact O-N 3.44Å
208P89.2Confident91Very high80 Ų8077.7 Ų77.752%0.51940%0.398SS..Hα-helixtrans-55.5-41.4-177.6-25.130.5000114.2K211 Y212P208-K211 PolarHBondContact O-N 3.44Å; P208-Y212 PolarHBondContact O-N 3.39Å
209M91.1Very high91.4Very high147 Ų14771 Ų7172%0.72436%0.362SS*.Hα-helixtrans-65.8-39.6178.3-17664112.600111.6Q207 A213Q207-M209 VanDerWaalsContact C-N 3.31Å; Q207-M209 PolarHBondContact O-N 2.91Å; M209-A213 WeakPolarHBondContact O-CB 3.36Å; M209-A213 PolarHBondContact O-N 2.86Å
210R93.2Very high91.7Very high94 Ų9470.6 Ų70.636%0.35536%0.362SS..Hα-helixtrans-68.7-40.4179.7-175.763.3173.7-171-2.8111.4E204 F205 Q207 Y212 A213 F214E204-R210 HydrophobicContact CB-CG 4.49Å; E204-R210 WeakPolarHBondContact O-CB 3.28Å; E204-R210 VanDerWaalsContact O-CG 3.24Å; E204-R210 WeakPolarHBondContact O-CG 3.29Å; F205-R210 HydrophobicContact CD1-CG 4.14Å; Q207-R210 HydrophobicContact CB-CB 4.19Å; Q207-R210 PolarHBondContact O-N 2.87Å; R210-Y212 PolarHBondContact O-N 3.27Å; R210-A213 PolarHBondContact O-N 2.84Å; R210-F214 VanDerWaalsContact O-CB 3.26Å; R210-F214 WeakPolarHBondContact O-CB 3.25Å; R210-F214 PolarHBondContact O-N 2.98Å
211K94.6Very high92.1Very high8 Ų866.3 Ų66.34%0.03533%0.333CS..Hα-helixtrans-51.5-56.4172.4-68171.7-176.1161.50111F49 E51 F179 Y194 F205 G206 Q207 P208 S215F49-K211 HydrophobicContact CD1-CB 4.12Å; F49-K211 HydrophobicContact CE1-CB 3.88Å; E51-K211 IonicContact OE1-NZ 2.61Å; E51-K211 PolarHBondContact OE1-NZ 3.23Å; E51-K211 IonicContact OE2-NZ 2.85Å; E51-K211 PolarHBondContact OE2-NZ 3.41Å; F179-K211 HydrophobicContact CE2-CB 3.84Å; F179-K211 HydrophobicContact CE2-CD 4.25Å; F179-K211 HydrophobicContact CE2-CG 3.94Å; F179-K211 HydrophobicContact CZ-CB 4.17Å; F179-K211 HydrophobicContact CZ-CD 3.9Å; F179-K211 HydrophobicContact CZ-CG 4.12Å; Y194-K211 HydrophobicContact CE1-CG 4.28Å; Y194-K211 HydrophobicContact CE2-CB 4.49Å; Y194-K211 VanDerWaalsContact OH-CA 3.28Å; Y194-K211 WeakPolarHBondContact OH-CA 3.33Å; Y194-K211 WeakPolarHBondContact OH-CG 3.41Å; Y194-K211 PolarHBondContact OH-N 2.94Å; F205-K211 WeakPolarHBondContact O-CG 3.46Å; G206-K211 WeakPolarHBondContact O-CE 3.32Å; G206-K211 PolarHBondContact O-NZ 3.15Å; Q207-K211 WeakPolarHBondContact O-CG 3.37Å; Q207-K211 PolarHBondContact O-N 3.44Å; P208-K211 PolarHBondContact O-N 3.44Å; K211-S215 WeakPolarHBondContact O-CB 3.22Å; K211-S215 PolarHBondContact O-N 2.93Å; K211-S215 VanDerWaalsContact O-N 3.13Å; K211-S215 PolarHBondContact O-OG 2.84Å
212Y95.8Very high92.3Very high74 Ų7458.1 Ų58.129%0.2930%0.295SS..Hα-helixtrans-64.3-47.8179.9-178.1-104.7000112.9F49 H172 P208 R210 F214 S215 L216F49-Y212 HydrophobicContact CD2-CD2 4.45Å; F49-Y212 AromaticContact CE2-CD2 3.74Å; F49-Y212 HydrophobicContact CE2-CD2 3.74Å; F49-Y212 HydrophobicContact CE2-CE2 4.47Å; F49-Y212 AromaticContact CZ-CD2 3.9Å; F49-Y212 HydrophobicContact CZ-CD2 3.9Å; H172-Y212 AromaticContact CE1-CE2 3.81Å; H172-Y212 AromaticContact ND1-CE2 3.46Å; H172-Y212 WeakPolarHBondContact ND1-CE2 3.26Å; H172-Y212 AromaticContact ND1-CZ 3.6Å; H172-Y212 PolarHBondContact ND1-OH 3.35Å; P208-Y212 PolarHBondContact O-N 3.39Å; R210-Y212 PolarHBondContact O-N 3.27Å; Y212-F214 PolarHBondContact O-N 3.21Å; Y212-S215 PolarHBondContact O-N 3.18Å; Y212-L216 HydrophobicContact CE1-CD2 4.17Å; Y212-L216 VanDerWaalsContact O-CB 3.3Å; Y212-L216 WeakPolarHBondContact O-CB 3.49Å; Y212-L216 PolarHBondContact O-N 2.99Å
213A95.8Very high92.4Very high44 Ų4454 Ų5436%0.36428%0.276SS..Hα-helixtrans-63.4-40.6-176.400000112.7M209 R210 L216 Y217M209-A213 WeakPolarHBondContact O-CB 3.36Å; M209-A213 PolarHBondContact O-N 2.86Å; R210-A213 PolarHBondContact O-N 2.84Å; A213-L216 PolarHBondContact O-N 3.49Å; A213-Y217 WeakPolarHBondContact O-CB 3.22Å; A213-Y217 PolarHBondContact O-N 2.99Å
214F94.9Very high92.5Very high45 Ų4551.2 Ų51.220%0.19726%0.257CS..Hα-helixtrans-69.3-44177.3-179.1-88.3000111.6Y178 Y194 P195 F205 R210 Y212 L216 Y217 W218Y178-F214 HydrophobicContact CE1-CD1 4.46Å; Y178-F214 HydrophobicContact CE1-CE1 4.3Å; Y194-F214 AromaticContact CD2-CD1 3.64Å; Y194-F214 HydrophobicContact CD2-CD1 3.64Å; Y194-F214 HydrophobicContact CD2-CE1 4.19Å; Y194-F214 HydrophobicContact CE2-CB 3.99Å; Y194-F214 AromaticContact CE2-CD1 3.68Å; Y194-F214 HydrophobicContact CE2-CD1 3.68Å; Y194-F214 HydrophobicContact CE2-CG 4.12Å; P195-F214 HydrophobicContact CG-CZ 4.34Å; F205-F214 AromaticContact CE1-CD2 3.74Å; F205-F214 HydrophobicContact CE1-CD2 3.74Å; F205-F214 HydrophobicContact CE1-CE2 4.02Å; F205-F214 HydrophobicContact CE1-CG 4.15Å; R210-F214 VanDerWaalsContact O-CB 3.26Å; R210-F214 WeakPolarHBondContact O-CB 3.25Å; R210-F214 PolarHBondContact O-N 2.98Å; Y212-F214 PolarHBondContact O-N 3.21Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 3.35Å; F214-Y217 WeakPolarHBondContact O-CB 3.47Å; F214-Y217 PolarHBondContact O-N 3.14Å; F214-Y217 VanDerWaalsContact O-N 3.15Å; F214-W218 PolarHBondContact O-N 2.88Å
215S95.7Very high92.4Very high0 Ų049 Ų490%025%0.252CS..Hα-helixtrans-62.7-36.5175.5-60.50000112.3A175 F179 K211 Y212 S219A175-S215 WeakPolarHBondContact CB-O 3.36Å; F179-S215 WeakPolarHBondContact CD2-OG 3.42Å; K211-S215 WeakPolarHBondContact O-CB 3.22Å; K211-S215 PolarHBondContact O-N 2.93Å; K211-S215 VanDerWaalsContact O-N 3.13Å; K211-S215 PolarHBondContact O-OG 2.84Å; Y212-S215 PolarHBondContact O-N 3.18Å; S215-S219 VanDerWaalsContact O-CB 3.31Å; S215-S219 WeakPolarHBondContact O-CB 3.3Å; S215-S219 PolarHBondContact O-N 2.93Å
216L95.7Very high92.2Very high53 Ų5354.6 Ų54.628%0.27728%0.281SS..Hα-helixtrans-67-39.9174-164.576.6000111.8I171 A175 Y212 A213 F214 T220I171-L216 HydrophobicContact CG2-CD1 3.7Å; I171-L216 HydrophobicContact CG2-CG 4.24Å; A175-L216 HydrophobicContact CB-CB 4.4Å; A175-L216 HydrophobicContact CB-CD1 4.13Å; Y212-L216 HydrophobicContact CE1-CD2 4.17Å; Y212-L216 VanDerWaalsContact O-CB 3.3Å; Y212-L216 WeakPolarHBondContact O-CB 3.49Å; Y212-L216 PolarHBondContact O-N 2.99Å; A213-L216 PolarHBondContact O-N 3.49Å; F214-L216 VanDerWaalsContact C-N 3.28Å; F214-L216 PolarHBondContact O-N 3.35Å; L216-T220 WeakPolarHBondContact O-CB 3.46Å; L216-T220 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-OG1 2.94Å
217Y93.8Very high91.4Very high139 Ų13954.6 Ų54.655%0.54528%0.281SS..Hα-helixtrans-61.3-50.8173.9169.7-106000111.4A213 F214 S219 T220 L221A213-Y217 WeakPolarHBondContact O-CB 3.22Å; A213-Y217 PolarHBondContact O-N 2.99Å; F214-Y217 WeakPolarHBondContact O-CB 3.47Å; F214-Y217 PolarHBondContact O-N 3.14Å; F214-Y217 VanDerWaalsContact O-N 3.15Å; Y217-S219 PolarHBondContact O-N 2.91Å; Y217-T220 PolarHBondContact O-N 2.91Å; Y217-L221 HydrophobicContact CD1-CD1 4.26Å; Y217-L221 HydrophobicContact CD2-CD1 4.46Å; Y217-L221 HydrophobicContact CD2-CG 4.43Å; Y217-L221 HydrophobicContact CE1-CD1 3.62Å; Y217-L221 HydrophobicContact CE2-CD1 3.85Å; Y217-L221 HydrophobicContact CE2-CD2 4.35Å; Y217-L221 HydrophobicContact CE2-CG 4.07Å; Y217-L221 WeakPolarHBondContact O-CG 3.28Å; Y217-L221 PolarHBondContact O-N 2.87Å
218W93.7Very high90.6Very high10 Ų1058.8 Ų58.84%0.03830%0.3CS..Hα-helixtrans-55.7-51.1175.9-174.997.9000111Y178 W192 F214 T220 L221 T222 F240Y178-W218 HydrophobicContact CD1-CB 4.18Å; Y178-W218 HydrophobicContact CD1-CD2 4.02Å; Y178-W218 HydrophobicContact CD1-CE3 4Å; Y178-W218 HydrophobicContact CD1-CG 4.08Å; Y178-W218 AromaticContact CD2-CD2 3.58Å; Y178-W218 HydrophobicContact CD2-CD2 3.58Å; Y178-W218 AromaticContact CD2-CE2 3.68Å; Y178-W218 AromaticContact CD2-CE3 3.6Å; Y178-W218 HydrophobicContact CD2-CE3 3.6Å; Y178-W218 HydrophobicContact CD2-CG 4.26Å; Y178-W218 AromaticContact CD2-CH2 3.97Å; Y178-W218 HydrophobicContact CD2-CH2 3.97Å; Y178-W218 AromaticContact CD2-CZ2 3.9Å; Y178-W218 HydrophobicContact CD2-CZ2 3.9Å; Y178-W218 AromaticContact CD2-CZ3 3.81Å; Y178-W218 HydrophobicContact CD2-CZ3 3.81Å; Y178-W218 HydrophobicContact CE1-CB 3.95Å; Y178-W218 HydrophobicContact CE1-CD2 4.12Å; Y178-W218 AromaticContact CE1-CG 3.81Å; Y178-W218 HydrophobicContact CE1-CG 3.81Å; Y178-W218 AromaticContact CE2-CD1 3.95Å; Y178-W218 AromaticContact CE2-CD2 3.7Å; Y178-W218 HydrophobicContact CE2-CD2 3.7Å; Y178-W218 AromaticContact CE2-CE2 3.57Å; Y178-W218 HydrophobicContact CE2-CE3 4.22Å; Y178-W218 HydrophobicContact CE2-CG 4.01Å; Y178-W218 HydrophobicContact CE2-CZ2 4.07Å; Y178-W218 AromaticContact CE2-NE1 3.66Å; Y178-W218 AromaticContact CG-CD2 3.75Å; Y178-W218 HydrophobicContact CG-CD2 3.75Å; Y178-W218 AromaticContact CG-CE3 3.47Å; Y178-W218 HydrophobicContact CG-CE3 3.47Å; Y178-W218 VanDerWaalsContact CG-CE3 3.47Å; Y178-W218 HydrophobicContact CG-CG 4.3Å; Y178-W218 AromaticContact CG-CZ3 3.92Å; Y178-W218 HydrophobicContact CG-CZ3 3.92Å; Y178-W218 AromaticContact CZ-CD1 3.71Å; Y178-W218 AromaticContact CZ-CD2 3.97Å; Y178-W218 AromaticContact CZ-CG 3.77Å; Y178-W218 AromaticContact CZ-NE1 3.9Å; W192-W218 AromaticContact CE2-CZ2 3.8Å; W192-W218 HydrophobicContact CZ2-CH2 4.01Å; W192-W218 AromaticContact CZ2-CZ2 3.61Å; W192-W218 HydrophobicContact CZ2-CZ2 3.61Å; W192-W218 AromaticContact NE1-CZ2 3.57Å; F214-W218 PolarHBondContact O-N 2.88Å; W218-T220 VanDerWaalsContact C-N 3.33Å; W218-T220 PolarHBondContact O-N 3.49Å; W218-L221 WeakPolarHBondContact O-CB 3.38Å; W218-L221 PolarHBondContact O-N 3.11Å; W218-T222 HydrophobicContact CH2-CG2 4.08Å; W218-T222 HydrophobicContact CZ3-CG2 4.4Å; W218-T222 PolarHBondContact O-N 2.81Å; W218-T222 PolarHBondContact O-OG1 3.09Å; W218-T222 VanDerWaalsContact O-OG1 3.05Å; W218-F240 AromaticContact CH2-CE1 3.93Å; W218-F240 HydrophobicContact CH2-CE1 3.93Å; W218-F240 HydrophobicContact CZ3-CE1 4.3Å
219S94.1Very high90.2Very high0 Ų056.4 Ų56.40%028%0.284CS..Hα-helixtrans-62-39.5-179.6-177.70000113.1I171 N174 A175 S215 Y217 T222 L223I171-S219 PolarHBondContact O-OG 3.11Å; I171-S219 VanDerWaalsContact O-OG 3.09Å; N174-S219 VanDerWaalsContact CB-OG 3.23Å; N174-S219 WeakPolarHBondContact CB-OG 3.42Å; N174-S219 PolarHBondContact ND2-OG 3.31Å; A175-S219 PolarHBondContact N-OG 2.95Å; S215-S219 VanDerWaalsContact O-CB 3.31Å; S215-S219 WeakPolarHBondContact O-CB 3.3Å; S215-S219 PolarHBondContact O-N 2.93Å; Y217-S219 PolarHBondContact O-N 2.91Å; S219-T222 PolarHBondContact O-N 3.21Å; S219-L223 WeakPolarHBondContact O-CB 3.46Å; S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 2.92Å
220T92.7Very high89.9Confident50 Ų5051.9 Ų51.931%0.30727%0.266SS..Hα-helixtrans-62.2-47.8176.5-58.50000110.3I171 L216 Y217 W218 T222 T224I171-T220 WeakPolarHBondContact CG2-OG1 3.46Å; L216-T220 WeakPolarHBondContact O-CB 3.46Å; L216-T220 PolarHBondContact O-N 3.08Å; L216-T220 PolarHBondContact O-OG1 2.94Å; Y217-T220 PolarHBondContact O-N 2.91Å; W218-T220 VanDerWaalsContact C-N 3.33Å; W218-T220 PolarHBondContact O-N 3.49Å; T220-T222 PolarHBondContact O-N 3.39Å; T220-T224 HydrophobicContact CG2-CG2 4.25Å; T220-T224 VanDerWaalsContact O-CB 3.29Å; T220-T224 WeakPolarHBondContact O-CB 3.41Å; T220-T224 VanDerWaalsContact O-CG2 3.31Å; T220-T224 WeakPolarHBondContact O-CG2 3.45Å; T220-T224 PolarHBondContact O-N 2.91Å; T220-T224 PolarHBondContact O-OG1 2.95Å
221L92.1Very high89.6Confident28 Ų2852.4 Ų52.415%0.14728%0.282CS..Hα-helixtrans-58.9-45.4178.1-76.2-173.2000113Y217 W218 T225 I226 G227Y217-L221 HydrophobicContact CD1-CD1 4.26Å; Y217-L221 HydrophobicContact CD2-CD1 4.46Å; Y217-L221 HydrophobicContact CD2-CG 4.43Å; Y217-L221 HydrophobicContact CE1-CD1 3.62Å; Y217-L221 HydrophobicContact CE2-CD1 3.85Å; Y217-L221 HydrophobicContact CE2-CD2 4.35Å; Y217-L221 HydrophobicContact CE2-CG 4.07Å; Y217-L221 WeakPolarHBondContact O-CG 3.28Å; Y217-L221 PolarHBondContact O-N 2.87Å; W218-L221 WeakPolarHBondContact O-CB 3.38Å; W218-L221 PolarHBondContact O-N 3.11Å; L221-T225 PolarHBondContact O-N 2.86Å; L221-I226 HydrophobicContact CD2-CB 4.39Å; L221-I226 HydrophobicContact CD2-CG2 4.31Å; L221-I226 PolarHBondContact O-N 2.64Å; L221-G227 PolarHBondContact O-N 3.23Å
222T91.3Very high89.4Confident6 Ų652.9 Ų52.94%0.03729%0.286CS..Hα-helixtrans-66.5-50.6179.7-50.40000111.6W218 S219 T220 T224 T225 D244W218-T222 HydrophobicContact CH2-CG2 4.08Å; W218-T222 HydrophobicContact CZ3-CG2 4.4Å; W218-T222 PolarHBondContact O-N 2.81Å; W218-T222 PolarHBondContact O-OG1 3.09Å; W218-T222 VanDerWaalsContact O-OG1 3.05Å; S219-T222 PolarHBondContact O-N 3.21Å; T220-T222 PolarHBondContact O-N 3.39Å; T222-T224 PolarHBondContact O-N 2.77Å; T222-T225 PolarHBondContact O-N 2.86Å; T222-D244 WeakPolarHBondContact CG2-OD2 3.47Å
223L91.2Very high89.2Confident13 Ų1352.6 Ų52.67%0.06830%0.298CS..Hα-helixtrans-73.5-27.4-175-67.8177.3000113.8I170 I171 N174 S219 T225I170-L223 HydrophobicContact CG2-CD1 4.05Å; I171-L223 HydrophobicContact CB-CD1 4.44Å; I171-L223 HydrophobicContact CG1-CD1 3.94Å; N174-L223 HydrophobicContact CB-CD1 3.83Å; N174-L223 WeakPolarHBondContact ND2-CG 3.44Å; S219-L223 WeakPolarHBondContact O-CB 3.46Å; S219-L223 WeakPolarHBondContact O-CG 3.38Å; S219-L223 PolarHBondContact O-N 2.92Å; L223-T225 VanDerWaalsContact C-N 3.31Å
224T89.8Confident89.1Confident23 Ų2354.2 Ų54.214%0.14130%0.301CS..THydrogen-bonded Turntrans-87.3-3.6174.360.30000113T220 T222 I226 F252T220-T224 HydrophobicContact CG2-CG2 4.25Å; T220-T224 VanDerWaalsContact O-CB 3.29Å; T220-T224 WeakPolarHBondContact O-CB 3.41Å; T220-T224 VanDerWaalsContact O-CG2 3.31Å; T220-T224 WeakPolarHBondContact O-CG2 3.45Å; T220-T224 PolarHBondContact O-N 2.91Å; T220-T224 PolarHBondContact O-OG1 2.95Å; T222-T224 PolarHBondContact O-N 2.77Å; T224-I226 PolarHBondContact O-N 2.81Å; T224-I226 VanDerWaalsContact O-N 3.17Å; T224-I226 WeakPolarHBondContact OG1-CD1 3.43Å; T224-I226 WeakPolarHBondContact OG1-CG1 3.42Å; T224-F252 HydrophobicContact CG2-CD2 4.34Å; T224-F252 HydrophobicContact CG2-CE2 4.16Å
225T87.6Confident89.1Confident66 Ų6658.5 Ų58.541%0.40533%0.326SS..THydrogen-bonded Turntrans5822.8-17967.30000114.1L221 T222 L223 F245 V249L221-T225 PolarHBondContact O-N 2.86Å; T222-T225 PolarHBondContact O-N 2.86Å; L223-T225 VanDerWaalsContact C-N 3.31Å; T225-F245 HydrophobicContact CG2-CE2 3.85Å; T225-F245 HydrophobicContact CG2-CZ 4.13Å; T225-V249 HydrophobicContact CG2-CG2 3.67Å
226I86.8Confident89Confident130 Ų13061.1 Ų61.167%0.66734%0.344SS*.  trans-85.4-41.9-179.6-64.5174.3000110.9L221 T224L221-I226 HydrophobicContact CD2-CB 4.39Å; L221-I226 HydrophobicContact CD2-CG2 4.31Å; L221-I226 PolarHBondContact O-N 2.64Å; T224-I226 PolarHBondContact O-N 2.81Å; T224-I226 VanDerWaalsContact O-N 3.17Å; T224-I226 WeakPolarHBondContact OG1-CD1 3.43Å; T224-I226 WeakPolarHBondContact OG1-CG1 3.42Å
227G70.9Confident88.9Confident26 Ų2658.6 Ų58.627%0.26833%0.331SS..  trans-91.8141.9-158.100000115.5L221 T229L221-G227 PolarHBondContact O-N 3.23Å; G227-T229 PolarHBondContact O-N 2.73Å
228E72.2Confident88.8Confident198 Ų19856.6 Ų56.693%0.92533%0.325SS*.  trans-78.588.3161.4-63.2178.1172.800107.9
229T81.4Confident88.9Confident30 Ų3061.8 Ų61.818%0.18435%0.352CS..PPolyproline II helixtrans-79.3149.9167.9550000109.6G227 H241G227-T229 PolarHBondContact O-N 2.73Å; T229-H241 PolarHBondContact OG1-CE1 2.95Å; T229-H241 VanDerWaalsContact OG1-CE1 3.32Å
230P85.3Confident88.8Confident53 Ų5363.7 Ų63.734%0.34436%0.361SS..PPolyproline II helixtrans-50145.8171.3-27.436.7000111.3D191 W192D191-P230 HydrophobicContact CB-CB 4.06Å; D191-P230 WeakPolarHBondContact O-CB 3.49Å; D191-P230 VanDerWaalsContact O-CG 3.29Å; D191-P230 WeakPolarHBondContact O-CG 3.43Å; W192-P230 VanDerWaalsContact CD1-O 3.27Å
231P86.4Confident88.7Confident105 Ų10562.9 Ų62.968%0.68235%0.353SS*.PPolyproline II helixtrans-67.9138.7178.527.8-33.1000110.3
232P91Very high88.7Confident18 Ų1866 Ų6612%0.11737%0.374CS..PPolyproline II helixtrans-53.9142.9168.6-26.335.8000111.9E237 F238 H241P232-E237 HydrophobicContact CB-CB 3.7Å; P232-F238 HydrophobicContact CB-CD1 4.15Å; P232-F238 HydrophobicContact CB-CD2 3.94Å; P232-F238 HydrophobicContact CB-CE1 4.24Å; P232-F238 HydrophobicContact CB-CE2 4.01Å; P232-F238 HydrophobicContact CB-CG 4Å; P232-F238 HydrophobicContact CB-CZ 4.16Å; P232-F238 HydrophobicContact CG-CD1 4.33Å; P232-F238 HydrophobicContact CG-CE1 4.43Å; P232-F238 WeakPolarHBondContact O-CE2 3.49Å; P232-F238 VanDerWaalsContact O-CZ 3.27Å; P232-F238 WeakPolarHBondContact O-CZ 3.36Å; P232-H241 HydrophobicContact CG-CB 3.89Å
233A91.2Very high88.8Confident67 Ų6769.7 Ų69.755%0.55440%0.396SS*.  trans-101-36.3177.700000112.2D190 E237D190-A233 HydrophobicContact CB-CB 4.16Å; A233-E237 PolarHBondContact N-OE2 2.94Å
234L93.4Very high88.8Confident78 Ų7869.9 Ų69.941%0.40840%0.397SS..SBendtrans-102.4149.7-176.1-65169.9000112.9I185 S236 E237 F238I185-L234 HydrophobicContact CD1-CD1 4.3Å; I185-L234 HydrophobicContact CG2-CD1 3.81Å; L234-S236 PolarHBondContact O-N 2.8Å; L234-S236 VanDerWaalsContact O-N 3.16Å; L234-E237 HydrophobicContact CB-CB 4.49Å; L234-E237 HydrophobicContact CB-CG 3.96Å; L234-E237 PolarHBondContact N-OE2 3.03Å; L234-E237 WeakPolarHBondContact O-CB 3.32Å; L234-E237 PolarHBondContact O-N 3.45Å; L234-F238 WeakPolarHBondContact O-CD2 3.46Å; L234-F238 PolarHBondContact O-N 3.47Å
235D94.3Very high88.9Confident135 Ų13573.4 Ų73.472%0.72241%0.41SS*.Hα-helixtrans-55.5-35.7176.7-71.3-18000112.6F238 I239D235-F238 PolarHBondContact O-N 2.59Å; D235-I239 WeakPolarHBondContact O-CG1 3.49Å; D235-I239 PolarHBondContact O-N 2.82Å
236S93.6Very high89.1Confident56 Ų5675.5 Ų75.539%0.39242%0.419SS..Hα-helixtrans-65.9-37.8176.450.60000112.6L234 F240L234-S236 PolarHBondContact O-N 2.8Å; L234-S236 VanDerWaalsContact O-N 3.16Å; S236-F240 WeakPolarHBondContact O-CB 3.46Å; S236-F240 PolarHBondContact O-N 3.48Å
237E93.6Very high89.2Confident0 Ų072.3 Ų72.30%041%0.405CS..Hα-helixtrans-71.4-40.1176.5-60167.1174.900110.3F181 I185 D190 W192 P232 A233 L234 I239 F240 H241F181-E237 HydrophobicContact CE1-CG 4.12Å; I185-E237 HydrophobicContact CD1-CG 3.53Å; I185-E237 VanDerWaalsContact CD1-OE1 3.26Å; I185-E237 WeakPolarHBondContact CD1-OE1 3.49Å; D190-E237 VanDerWaalsContact OD2-OE1 3.1Å; W192-E237 HydrophobicContact CD2-CB 4.24Å; W192-E237 HydrophobicContact CD2-CG 4.31Å; W192-E237 HydrophobicContact CE3-CB 3.93Å; W192-E237 HydrophobicContact CE3-CG 3.55Å; W192-E237 HydrophobicContact CH2-CB 4.45Å; W192-E237 HydrophobicContact CH2-CG 4.46Å; W192-E237 HydrophobicContact CZ3-CB 4.05Å; W192-E237 HydrophobicContact CZ3-CG 3.65Å; P232-E237 HydrophobicContact CB-CB 3.7Å; A233-E237 PolarHBondContact N-OE2 2.94Å; L234-E237 HydrophobicContact CB-CB 4.49Å; L234-E237 HydrophobicContact CB-CG 3.96Å; L234-E237 PolarHBondContact N-OE2 3.03Å; L234-E237 WeakPolarHBondContact O-CB 3.32Å; L234-E237 PolarHBondContact O-N 3.45Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.3Å; E237-F240 PolarHBondContact O-N 3.33Å; E237-H241 WeakPolarHBondContact O-CB 3.22Å; E237-H241 PolarHBondContact O-N 2.59Å
238F93.3Very high90.2Very high97 Ų9771.1 Ų71.143%0.42539%0.393SS..Hα-helixtrans-56.9-47.6172.4-86.4-75.1000111.7P232 L234 D235 H241 V242P232-F238 HydrophobicContact CB-CD1 4.15Å; P232-F238 HydrophobicContact CB-CD2 3.94Å; P232-F238 HydrophobicContact CB-CE1 4.24Å; P232-F238 HydrophobicContact CB-CE2 4.01Å; P232-F238 HydrophobicContact CB-CG 4Å; P232-F238 HydrophobicContact CB-CZ 4.16Å; P232-F238 HydrophobicContact CG-CD1 4.33Å; P232-F238 HydrophobicContact CG-CE1 4.43Å; P232-F238 WeakPolarHBondContact O-CE2 3.49Å; P232-F238 VanDerWaalsContact O-CZ 3.27Å; P232-F238 WeakPolarHBondContact O-CZ 3.36Å; L234-F238 WeakPolarHBondContact O-CD2 3.46Å; L234-F238 PolarHBondContact O-N 3.47Å; D235-F238 PolarHBondContact O-N 2.59Å; F238-H241 PolarHBondContact O-N 3.09Å; F238-V242 WeakPolarHBondContact O-CB 3.26Å; F238-V242 VanDerWaalsContact O-CG2 3.23Å; F238-V242 WeakPolarHBondContact O-CG2 3.44Å; F238-V242 PolarHBondContact O-N 3.5Å
239I93.9Very high91.1Very high119 Ų11964.6 Ų64.661%0.6137%0.366SS*.Hα-helixtrans-63.1-46.8178.5-67.9167.8000110.6D235 E237 H241 V242 V243D235-I239 WeakPolarHBondContact O-CG1 3.49Å; D235-I239 PolarHBondContact O-N 2.82Å; E237-I239 VanDerWaalsContact C-N 3.35Å; E237-I239 PolarHBondContact O-N 3.3Å; I239-H241 PolarHBondContact O-N 3.22Å; I239-V242 PolarHBondContact O-N 2.75Å; I239-V243 WeakPolarHBondContact O-CB 3.34Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.33Å; I239-V243 PolarHBondContact O-N 3.45Å
240F92.3Very high91.6Very high40 Ų4068.2 Ų68.218%0.17538%0.384CS..Hα-helixtrans-57.9-49.4177.2177.2-93000111.2F177 F181 W192 W218 S236 E237 V242 V243 D244F177-F240 HydrophobicContact CB-CE2 4.42Å; F177-F240 HydrophobicContact CB-CZ 4.45Å; F181-F240 HydrophobicContact CD1-CG 4.31Å; F181-F240 HydrophobicContact CD2-CD2 4.24Å; F181-F240 HydrophobicContact CE1-CB 4.04Å; F181-F240 HydrophobicContact CE1-CG 4.27Å; F181-F240 HydrophobicContact CE2-CB 4.45Å; F181-F240 HydrophobicContact CE2-CD2 4.44Å; F181-F240 HydrophobicContact CG-CD2 4.29Å; F181-F240 HydrophobicContact CG-CG 4.49Å; F181-F240 HydrophobicContact CZ-CB 3.97Å; F181-F240 HydrophobicContact CZ-CG 4.44Å; W192-F240 AromaticContact CH2-CD1 3.56Å; W192-F240 HydrophobicContact CH2-CD1 3.56Å; W192-F240 AromaticContact CH2-CE1 3.95Å; W192-F240 HydrophobicContact CH2-CE1 3.95Å; W192-F240 HydrophobicContact CH2-CG 4.42Å; W192-F240 AromaticContact CZ2-CD1 3.69Å; W192-F240 HydrophobicContact CZ2-CD1 3.69Å; W192-F240 HydrophobicContact CZ2-CE1 4.04Å; W218-F240 AromaticContact CH2-CE1 3.93Å; W218-F240 HydrophobicContact CH2-CE1 3.93Å; W218-F240 HydrophobicContact CZ3-CE1 4.3Å; S236-F240 WeakPolarHBondContact O-CB 3.46Å; S236-F240 PolarHBondContact O-N 3.48Å; E237-F240 PolarHBondContact O-N 3.33Å; F240-V242 PolarHBondContact O-N 2.83Å; F240-V243 PolarHBondContact O-N 3.16Å; F240-D244 WeakPolarHBondContact O-CB 3.47Å; F240-D244 PolarHBondContact O-N 3.47Å
241H91.2Very high91.8Very high32 Ų3268.2 Ų68.215%0.14838%0.38CS..Hα-helixtrans-63.3-43.7-178.4-159.3116.9000112W192 T229 P232 E237 F238 I239 D244 F245W192-H241 AromaticContact NE1-CE1 3.87Å; W192-H241 AromaticContact NE1-ND1 3.22Å; W192-H241 PolarHBondContact NE1-ND1 3.48Å; T229-H241 PolarHBondContact OG1-CE1 2.95Å; T229-H241 VanDerWaalsContact OG1-CE1 3.32Å; P232-H241 HydrophobicContact CG-CB 3.89Å; E237-H241 WeakPolarHBondContact O-CB 3.22Å; E237-H241 PolarHBondContact O-N 2.59Å; F238-H241 PolarHBondContact O-N 3.09Å; I239-H241 PolarHBondContact O-N 3.22Å; H241-D244 PolarHBondContact O-N 3.46Å; H241-F245 WeakPolarHBondContact O-CB 3.45Å; H241-F245 PolarHBondContact O-N 3.32Å
242V92Very high91.8Very high95 Ų9567.1 Ų67.158%0.57637%0.365SS*.Hα-helixtrans-64.4-42.3177.9168.60000111.2F238 I239 F240 L246F238-V242 WeakPolarHBondContact O-CB 3.26Å; F238-V242 VanDerWaalsContact O-CG2 3.23Å; F238-V242 WeakPolarHBondContact O-CG2 3.44Å; F238-V242 PolarHBondContact O-N 3.5Å; I239-V242 PolarHBondContact O-N 2.75Å; F240-V242 PolarHBondContact O-N 2.83Å; V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 PolarHBondContact O-N 3.4Å
243V92.4Very high91.8Very high83 Ų8369.1 Ų69.150%0.50338%0.383SS..Hα-helixtrans-64.8-46.9176.7171.30000110.6I239 F240 F245 L246 V247I239-V243 WeakPolarHBondContact O-CB 3.34Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.33Å; I239-V243 PolarHBondContact O-N 3.45Å; F240-V243 PolarHBondContact O-N 3.16Å; V243-F245 PolarHBondContact O-N 3.25Å; V243-L246 PolarHBondContact O-N 2.95Å; V243-V247 HydrophobicContact CG1-CG2 4.46Å; V243-V247 WeakPolarHBondContact O-CB 3.34Å; V243-V247 VanDerWaalsContact O-CG2 3.3Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.46Å
244D92.4Very high91.7Very high16 Ų1669.9 Ų69.99%0.08638%0.381CS..Hα-helixtrans-63.3-41.9179.3-16746.4000111.6N174 T222 F240 H241 V247 G248N174-D244 VanDerWaalsContact ND2-CG 3.3Å; N174-D244 PolarHBondContact ND2-OD1 2.89Å; N174-D244 VanDerWaalsContact ND2-OD1 3.09Å; N174-D244 PolarHBondContact ND2-OD2 3.31Å; N174-D244 PolarHBondContact OD1-OD1 2.9Å; N174-D244 PolarHBondContact OD1-OD2 2.91Å; T222-D244 WeakPolarHBondContact CG2-OD2 3.47Å; F240-D244 WeakPolarHBondContact O-CB 3.47Å; F240-D244 PolarHBondContact O-N 3.47Å; H241-D244 PolarHBondContact O-N 3.46Å; D244-V247 PolarHBondContact O-N 3.44Å; D244-G248 PolarHBondContact O-N 3.29Å
245F90.7Very high91.5Very high97 Ų9766.9 Ų66.943%0.42537%0.365SS..Hα-helixtrans-64-43.8177-167.2-99.5000112.1T225 H241 V243 G248 V249T225-F245 HydrophobicContact CG2-CE2 3.85Å; T225-F245 HydrophobicContact CG2-CZ 4.13Å; H241-F245 WeakPolarHBondContact O-CB 3.45Å; H241-F245 PolarHBondContact O-N 3.32Å; V243-F245 PolarHBondContact O-N 3.25Å; F245-G248 PolarHBondContact O-N 3.37Å; F245-V249 HydrophobicContact CD1-CG2 4.07Å; F245-V249 HydrophobicContact CE1-CG2 3.79Å; F245-V249 HydrophobicContact CZ-CG2 4.08Å; F245-V249 VanDerWaalsContact O-CG2 3.26Å; F245-V249 WeakPolarHBondContact O-CG2 3.5Å; F245-V249 PolarHBondContact O-N 2.93Å
246L91.8Very high91.1Very high111 Ų11163.9 Ų63.958%0.58135%0.352SS*.Hα-helixtrans-62.9-45177.1-177.765.9000111.6V242 V243 L250V242-L246 WeakPolarHBondContact O-CB 3.38Å; V242-L246 PolarHBondContact O-N 3.4Å; V243-L246 PolarHBondContact O-N 2.95Å; L246-L250 HydrophobicContact CG-CD1 4.42Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 3.27Å
247V90.8Very high91Very high63 Ų6362.8 Ų62.838%0.38235%0.35SS..Hα-helixtrans-64.4-44.7177.2170.70000110.4V243 D244 L250 I251V243-V247 HydrophobicContact CG1-CG2 4.46Å; V243-V247 WeakPolarHBondContact O-CB 3.34Å; V243-V247 VanDerWaalsContact O-CG2 3.3Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.46Å; D244-V247 PolarHBondContact O-N 3.44Å; V247-L250 PolarHBondContact O-N 2.98Å; V247-I251 HydrophobicContact CG1-CD1 3.45Å; V247-I251 VanDerWaalsContact CG1-CD1 3.45Å; V247-I251 HydrophobicContact CG1-CG1 4.25Å; V247-I251 WeakPolarHBondContact O-CB 3.49Å; V247-I251 VanDerWaalsContact O-CG1 3.27Å; V247-I251 WeakPolarHBondContact O-CG1 3.34Å; V247-I251 PolarHBondContact O-N 3.12Å
248G90.4Very high90.8Very high1 Ų166.6 Ų66.61%0.0137%0.37CS..Hα-helixtrans-58.4-51.217800000112.8D244 F245 L250 I251 F252D244-G248 PolarHBondContact O-N 3.29Å; F245-G248 PolarHBondContact O-N 3.37Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.39Å; G248-I251 PolarHBondContact O-N 3.45Å; G248-F252 WeakPolarHBondContact O-CB 3.26Å; G248-F252 PolarHBondContact O-N 3.3Å
249V91.2Very high90.5Very high61 Ų6164.5 Ų64.537%0.3736%0.362SS..Hα-helixtrans-57.5-46.3177.8170.80000111.4T225 F245 A253T225-V249 HydrophobicContact CG2-CG2 3.67Å; F245-V249 HydrophobicContact CD1-CG2 4.07Å; F245-V249 HydrophobicContact CE1-CG2 3.79Å; F245-V249 HydrophobicContact CZ-CG2 4.08Å; F245-V249 VanDerWaalsContact O-CG2 3.26Å; F245-V249 WeakPolarHBondContact O-CG2 3.5Å; F245-V249 PolarHBondContact O-N 2.93Å; V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.99Å
250L91.7Very high90.3Very high105 Ų10561.5 Ų61.555%0.5536%0.355SS..Hα-helixtrans-65.6-44.7-179.5-70.5173.9000112.2L246 V247 G248 T254L246-L250 HydrophobicContact CG-CD1 4.42Å; L246-L250 VanDerWaalsContact O-CG 3.31Å; L246-L250 WeakPolarHBondContact O-CG 3.31Å; L246-L250 PolarHBondContact O-N 3.27Å; V247-L250 PolarHBondContact O-N 2.98Å; G248-L250 VanDerWaalsContact C-N 3.35Å; G248-L250 PolarHBondContact O-N 3.39Å; L250-T254 WeakPolarHBondContact O-CB 3.39Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 VanDerWaalsContact O-N 3.09Å; L250-T254 PolarHBondContact O-OG1 3.12Å
251I89.3Confident90.1Very high53 Ų5363.3 Ų63.327%0.27237%0.37SS..Hα-helixtrans-64.4-52.2178.8-73.2175.9000109.7I170 V247 G248 A253 T254 I255I170-I251 HydrophobicContact CD1-CD1 4.32Å; I170-I251 HydrophobicContact CD1-CG2 3.98Å; I170-I251 HydrophobicContact CG2-CD1 4.08Å; V247-I251 HydrophobicContact CG1-CD1 3.45Å; V247-I251 VanDerWaalsContact CG1-CD1 3.45Å; V247-I251 HydrophobicContact CG1-CG1 4.25Å; V247-I251 WeakPolarHBondContact O-CB 3.49Å; V247-I251 VanDerWaalsContact O-CG1 3.27Å; V247-I251 WeakPolarHBondContact O-CG1 3.34Å; V247-I251 PolarHBondContact O-N 3.12Å; G248-I251 PolarHBondContact O-N 3.45Å; I251-A253 PolarHBondContact O-N 3.01Å; I251-T254 WeakPolarHBondContact O-CB 3.43Å; I251-T254 PolarHBondContact O-N 2.88Å; I251-I255 HydrophobicContact CG2-CD1 3.44Å; I251-I255 VanDerWaalsContact CG2-CD1 3.44Å; I251-I255 HydrophobicContact CG2-CG1 4.46Å; I251-I255 VanDerWaalsContact O-CD1 3.3Å; I251-I255 WeakPolarHBondContact O-CD1 3.41Å; I251-I255 WeakPolarHBondContact O-CG1 3.31Å; I251-I255 PolarHBondContact O-N 3.03Å
252F87.1Confident89.9Confident82 Ų8262.8 Ų62.836%0.3637%0.368SS..Hα-helixtrans-61-44.1-178.5-173.2-103.2000112T224 G248 T254 I255 V256T224-F252 HydrophobicContact CG2-CD2 4.34Å; T224-F252 HydrophobicContact CG2-CE2 4.16Å; G248-F252 WeakPolarHBondContact O-CB 3.26Å; G248-F252 PolarHBondContact O-N 3.3Å; F252-T254 VanDerWaalsContact C-N 3.34Å; F252-T254 PolarHBondContact O-N 2.92Å; F252-I255 PolarHBondContact O-N 3.46Å; F252-V256 HydrophobicContact CD1-CG2 4.14Å; F252-V256 HydrophobicContact CD2-CG2 4.44Å; F252-V256 HydrophobicContact CE1-CG2 3.76Å; F252-V256 HydrophobicContact CE2-CG2 4.08Å; F252-V256 HydrophobicContact CG-CG2 4.47Å; F252-V256 HydrophobicContact CZ-CG2 3.72Å; F252-V256 WeakPolarHBondContact O-CG2 3.38Å; F252-V256 PolarHBondContact O-N 2.84Å
253A90.7Very high89.7Confident60 Ų6062.1 Ų62.150%0.49636%0.36SS..Hα-helixtrans-59.7-43.2175.200000112.2V249 I251 G257V249-A253 WeakPolarHBondContact O-CB 3.39Å; V249-A253 PolarHBondContact O-N 2.99Å; I251-A253 PolarHBondContact O-N 3.01Å; A253-G257 PolarHBondContact O-N 3.2Å
254T90.3Very high89.5Confident83 Ų8362 Ų6251%0.50936%0.363SS..Hα-helixtrans-64-42.3177.8-57.70000111.6L250 I251 F252 N258L250-T254 WeakPolarHBondContact O-CB 3.39Å; L250-T254 PolarHBondContact O-N 3.05Å; L250-T254 VanDerWaalsContact O-N 3.09Å; L250-T254 PolarHBondContact O-OG1 3.12Å; I251-T254 WeakPolarHBondContact O-CB 3.43Å; I251-T254 PolarHBondContact O-N 2.88Å; F252-T254 VanDerWaalsContact C-N 3.34Å; F252-T254 PolarHBondContact O-N 2.92Å; T254-N258 WeakPolarHBondContact O-CB 3.24Å; T254-N258 VanDerWaalsContact O-CG 3.23Å; T254-N258 PolarHBondContact O-N 3.02Å; T254-N258 PolarHBondContact O-ND2 3.06Å
255I88.3Confident89.2Confident16 Ų1665.4 Ų65.48%0.08238%0.381CS..Hα-helixtrans-63-53.4177.7-72.7153000111L163 I167 I251 F252 G257 N258 I259L163-I255 HydrophobicContact CD1-CG1 3.97Å; L163-I255 HydrophobicContact CD1-CG2 4.46Å; L163-I255 HydrophobicContact CD2-CG2 4.17Å; L163-I255 HydrophobicContact CG-CG2 4.25Å; I167-I255 HydrophobicContact CD1-CD1 4.14Å; I167-I255 HydrophobicContact CD1-CG1 4.36Å; I167-I255 HydrophobicContact CD1-CG2 3.43Å; I167-I255 VanDerWaalsContact CD1-CG2 3.43Å; I167-I255 HydrophobicContact CG1-CD1 3.51Å; I167-I255 HydrophobicContact CG1-CG1 4.04Å; I167-I255 HydrophobicContact CG1-CG2 4.05Å; I251-I255 HydrophobicContact CG2-CD1 3.44Å; I251-I255 VanDerWaalsContact CG2-CD1 3.44Å; I251-I255 HydrophobicContact CG2-CG1 4.46Å; I251-I255 VanDerWaalsContact O-CD1 3.3Å; I251-I255 WeakPolarHBondContact O-CD1 3.41Å; I251-I255 WeakPolarHBondContact O-CG1 3.31Å; I251-I255 PolarHBondContact O-N 3.03Å; F252-I255 PolarHBondContact O-N 3.46Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.45Å; I255-N258 PolarHBondContact O-N 3.46Å; I255-N258 VanDerWaalsContact O-N 3.14Å; I255-I259 HydrophobicContact CG2-CD1 3.83Å; I255-I259 HydrophobicContact CG2-CG1 4.45Å; I255-I259 WeakPolarHBondContact O-CG1 3.19Å; I255-I259 PolarHBondContact O-N 2.89Å
256V86.9Confident88.8Confident71 Ų7165.6 Ų65.643%0.4338%0.384SS..Hα-helixtrans-60.6-41.1-178.2172.50000110.2F252 I259 A260F252-V256 HydrophobicContact CD1-CG2 4.14Å; F252-V256 HydrophobicContact CD2-CG2 4.44Å; F252-V256 HydrophobicContact CE1-CG2 3.76Å; F252-V256 HydrophobicContact CE2-CG2 4.08Å; F252-V256 HydrophobicContact CG-CG2 4.47Å; F252-V256 HydrophobicContact CZ-CG2 3.72Å; F252-V256 WeakPolarHBondContact O-CG2 3.38Å; F252-V256 PolarHBondContact O-N 2.84Å; V256-I259 PolarHBondContact O-N 2.95Å; V256-A260 WeakPolarHBondContact O-CB 3.49Å; V256-A260 PolarHBondContact O-N 2.62Å
257G91.1Very high88.5Confident34 Ų3463.8 Ų63.835%0.35138%0.376SS..Hα-helixtrans-57.9-49.7173.200000112.6A253 I255 I259 A260 T261A253-G257 PolarHBondContact O-N 3.2Å; I255-G257 VanDerWaalsContact C-N 3.27Å; I255-G257 PolarHBondContact O-N 3.45Å; G257-I259 PolarHBondContact O-N 2.88Å; G257-A260 PolarHBondContact O-N 2.97Å; G257-T261 PolarHBondContact O-N 3.25Å; G257-T261 PolarHBondContact O-OG1 3.26Å; G257-T261 VanDerWaalsContact O-OG1 3.12Å
258N88.6Confident88.4Confident80 Ų8062.3 Ų62.343%0.42837%0.37SS..Hα-helixtrans-63.2-40.7179-74.3-24.3000112.7L163 T254 I255 T261 M262L163-N258 HydrophobicContact CD2-CB 4.12Å; T254-N258 WeakPolarHBondContact O-CB 3.24Å; T254-N258 VanDerWaalsContact O-CG 3.23Å; T254-N258 PolarHBondContact O-N 3.02Å; T254-N258 PolarHBondContact O-ND2 3.06Å; I255-N258 PolarHBondContact O-N 3.46Å; I255-N258 VanDerWaalsContact O-N 3.14Å; N258-T261 PolarHBondContact O-N 3.25Å; N258-M262 HydrophobicContact CB-CE 4.34Å; N258-M262 WeakPolarHBondContact O-CB 3.39Å; N258-M262 WeakPolarHBondContact O-CE 3.49Å; N258-M262 WeakPolarHBondContact O-CG 3.45Å; N258-M262 PolarHBondContact O-N 3.32Å
259I88.3Confident88.1Confident52 Ų5264.4 Ų64.427%0.26739%0.387SS..Hα-helixtrans-61.8-47.3175.3-67.3173.5000110.3L163 I255 V256 G257 T261 M262 I263L163-I259 HydrophobicContact CD2-CD1 4.06Å; L163-I259 HydrophobicContact CD2-CG1 3.42Å; L163-I259 VanDerWaalsContact CD2-CG1 3.42Å; I255-I259 HydrophobicContact CG2-CD1 3.83Å; I255-I259 HydrophobicContact CG2-CG1 4.45Å; I255-I259 WeakPolarHBondContact O-CG1 3.19Å; I255-I259 PolarHBondContact O-N 2.89Å; V256-I259 PolarHBondContact O-N 2.95Å; G257-I259 PolarHBondContact O-N 2.88Å; I259-T261 VanDerWaalsContact C-N 3.35Å; I259-T261 PolarHBondContact O-N 3.22Å; I259-M262 PolarHBondContact O-N 2.58Å; I259-I263 HydrophobicContact CG2-CD1 3.79Å; I259-I263 HydrophobicContact CG2-CG1 4.39Å; I259-I263 WeakPolarHBondContact O-CG1 3.15Å; I259-I263 PolarHBondContact O-N 3.28Å
260A89Confident87.8Confident56 Ų5666.2 Ų66.246%0.46339%0.392SS..Hα-helixtrans-59.4-45.1179.200000111.7V256 G257 M262 I263 S264V256-A260 WeakPolarHBondContact O-CB 3.49Å; V256-A260 PolarHBondContact O-N 2.62Å; G257-A260 PolarHBondContact O-N 2.97Å; A260-M262 PolarHBondContact O-N 2.94Å; A260-I263 PolarHBondContact O-N 2.84Å; A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.36Å
261T89.1Confident87.7Confident78 Ų7864.1 Ų64.148%0.47939%0.389SS..Hα-helixtrans-62.6-41.4175.5-55.80000112G257 N258 I259 S264 N265G257-T261 PolarHBondContact O-N 3.25Å; G257-T261 PolarHBondContact O-OG1 3.26Å; G257-T261 VanDerWaalsContact O-OG1 3.12Å; N258-T261 PolarHBondContact O-N 3.25Å; I259-T261 VanDerWaalsContact C-N 3.35Å; I259-T261 PolarHBondContact O-N 3.22Å; T261-S264 PolarHBondContact O-N 3.23Å; T261-N265 WeakPolarHBondContact O-CB 3.42Å; T261-N265 VanDerWaalsContact O-CG 3.3Å; T261-N265 PolarHBondContact O-N 3.43Å; T261-N265 PolarHBondContact O-ND2 3.2Å
262M86.9Confident87.7Confident21 Ų2167.4 Ų67.410%0.10340%0.403CS..Hα-helixtrans-63.9-41.9177.4-76.8-172.2-81.800112.7R159 I160 L163 N258 I259 A260 N265 M266R159-M262 HydrophobicContact CB-SD 3.48Å; R159-M262 WeakPolarHBondContact CB-SD 3.48Å; R159-M262 HydrophobicContact CG-SD 4.5Å; I160-M262 HydrophobicContact CG1-CE 4.19Å; I160-M262 HydrophobicContact CG1-SD 4Å; L163-M262 HydrophobicContact CD2-CE 3.6Å; N258-M262 HydrophobicContact CB-CE 4.34Å; N258-M262 WeakPolarHBondContact O-CB 3.39Å; N258-M262 WeakPolarHBondContact O-CE 3.49Å; N258-M262 WeakPolarHBondContact O-CG 3.45Å; N258-M262 PolarHBondContact O-N 3.32Å; I259-M262 PolarHBondContact O-N 2.58Å; A260-M262 PolarHBondContact O-N 2.94Å; M262-N265 PolarHBondContact O-N 3.22Å; M262-M266 PolarHBondContact O-N 2.99Å
263I87.3Confident87.7Confident82 Ų8264.4 Ų64.442%0.42139%0.39SS..Hα-helixtrans-63.6-43.6175.7-67.9170.3000110.6I259 A260 N265 M266 N267I259-I263 HydrophobicContact CG2-CD1 3.79Å; I259-I263 HydrophobicContact CG2-CG1 4.39Å; I259-I263 WeakPolarHBondContact O-CG1 3.15Å; I259-I263 PolarHBondContact O-N 3.28Å; A260-I263 PolarHBondContact O-N 2.84Å; I263-N265 VanDerWaalsContact C-N 3.35Å; I263-N265 PolarHBondContact O-N 3.4Å; I263-M266 PolarHBondContact O-N 3.41Å; I263-N267 PolarHBondContact O-N 3.04Å
264S87.7Confident87.7Confident79 Ų7965.3 Ų65.355%0.55238%0.384SS*.Hα-helixtrans-59.6-45176.4-175.60000111.8A260 T261 M266 N267 A268A260-S264 WeakPolarHBondContact O-CB 3.28Å; A260-S264 PolarHBondContact O-N 3.36Å; T261-S264 PolarHBondContact O-N 3.23Å; S264-M266 PolarHBondContact O-N 3.31Å; S264-N267 CarbonylContact O-C 3.56Å; S264-N267 PolarHBondContact O-N 3.49Å; S264-A268 PolarHBondContact O-N 3.34Å; S264-A268 VanDerWaalsContact O-N 3.1Å
265N85.7Confident87.8Confident89 Ų8964.3 Ų64.348%0.47638%0.38SS..Hα-helixtrans-64.8-37.2177.6-73.6-24.6000112.9T261 M262 I263 N267 A268T261-N265 WeakPolarHBondContact O-CB 3.42Å; T261-N265 VanDerWaalsContact O-CG 3.3Å; T261-N265 PolarHBondContact O-N 3.43Å; T261-N265 PolarHBondContact O-ND2 3.2Å; M262-N265 PolarHBondContact O-N 3.22Å; I263-N265 VanDerWaalsContact C-N 3.35Å; I263-N265 PolarHBondContact O-N 3.4Å; N265-N267 VanDerWaalsContact C-N 3.3Å; N265-N267 PolarHBondContact O-N 2.99Å; N265-A268 VanDerWaalsContact O-CB 3.26Å; N265-A268 WeakPolarHBondContact O-CB 3.48Å; N265-A268 PolarHBondContact O-N 3.44Å
266M83.5Confident87.9Confident100 Ų10070.6 Ų70.649%0.49340%0.403SS..Hα-helixtrans-63.5-37.6177.6-173175.77000112M262 I263 S264M262-M266 PolarHBondContact O-N 2.99Å; I263-M266 PolarHBondContact O-N 3.41Å; S264-M266 PolarHBondContact O-N 3.31Å
267N85.5Confident88.1Confident74 Ų7467.6 Ų67.640%0.39639%0.385SS..THydrogen-bonded Turntrans-93.79.2179.1-68.9-19.6000113.4I263 S264 N265 A269 Q270 A271I263-N267 PolarHBondContact O-N 3.04Å; S264-N267 CarbonylContact O-C 3.56Å; S264-N267 PolarHBondContact O-N 3.49Å; N265-N267 VanDerWaalsContact C-N 3.3Å; N265-N267 PolarHBondContact O-N 2.99Å; N267-A269 PolarHBondContact O-N 3.29Å; N267-Q270 PolarHBondContact O-N 3.41Å; N267-A271 WeakPolarHBondContact O-CB 3.46Å; N267-A271 PolarHBondContact O-N 3.34Å
268A87.6Confident88.2Confident32 Ų3269.3 Ų69.326%0.26439%0.386SS..Hα-helixtrans-60.3-42-172.900000113S264 N265 Q270 A271 Q272S264-A268 PolarHBondContact O-N 3.34Å; S264-A268 VanDerWaalsContact O-N 3.1Å; N265-A268 VanDerWaalsContact O-CB 3.26Å; N265-A268 WeakPolarHBondContact O-CB 3.48Å; N265-A268 PolarHBondContact O-N 3.44Å; A268-Q270 VanDerWaalsContact C-N 3.35Å; A268-Q270 PolarHBondContact O-N 3.46Å; A268-A271 PolarHBondContact O-N 2.88Å; A268-Q272 WeakPolarHBondContact O-CB 3.29Å; A268-Q272 VanDerWaalsContact O-CG 3.28Å; A268-Q272 WeakPolarHBondContact O-CG 3.42Å; A268-Q272 PolarHBondContact O-N 3.04Å
269A84.2Confident88.5Confident45 Ų4570 Ų7037%0.37239%0.389SS..Hα-helixtrans-63.3-41.3178.900000112.1N267 F273N267-A269 PolarHBondContact O-N 3.29Å; A269-F273 WeakPolarHBondContact O-CB 3.38Å; A269-F273 PolarHBondContact O-N 3.45Å
270Q85.6Confident88.8Confident99 Ų9970.4 Ų70.446%0.46339%0.391SS..Hα-helixtrans-67.8-43.5176.2-174.9174.61.500111.5N267 A268 Q272 F273 Q274 W305N267-Q270 PolarHBondContact O-N 3.41Å; A268-Q270 VanDerWaalsContact C-N 3.35Å; A268-Q270 PolarHBondContact O-N 3.46Å; Q270-Q272 VanDerWaalsContact C-N 3.34Å; Q270-Q272 PolarHBondContact O-N 3.43Å; Q270-F273 PolarHBondContact O-N 3.09Å; Q270-Q274 WeakPolarHBondContact O-CB 3.48Å; Q270-Q274 PolarHBondContact O-N 3.09Å; Q270-W305 HydrophobicContact CB-CH2 3.6Å; Q270-W305 HydrophobicContact CB-CZ2 3.67Å; Q270-W305 HydrophobicContact CG-CH2 3.95Å; Q270-W305 HydrophobicContact CG-CZ2 3.57Å
271A89Confident89Confident60 Ų6070.5 Ų70.550%0.49638%0.382SS..Hα-helixtrans-61.3-42.3176.800000111.9N267 A268 Q274 S275N267-A271 WeakPolarHBondContact O-CB 3.46Å; N267-A271 PolarHBondContact O-N 3.34Å; A268-A271 PolarHBondContact O-N 2.88Å; A271-Q274 PolarHBondContact O-N 3.3Å; A271-S275 WeakPolarHBondContact O-CB 3.45Å; A271-S275 PolarHBondContact O-N 3.12Å
272Q88.8Confident89.3Confident122 Ų12272.5 Ų72.557%0.5739%0.386SS*.Hα-helixtrans-63.6-43.3175.6-75.1178.27.600112.2A268 Q270 S275 R276A268-Q272 WeakPolarHBondContact O-CB 3.29Å; A268-Q272 VanDerWaalsContact O-CG 3.28Å; A268-Q272 WeakPolarHBondContact O-CG 3.42Å; A268-Q272 PolarHBondContact O-N 3.04Å; Q270-Q272 VanDerWaalsContact C-N 3.34Å; Q270-Q272 PolarHBondContact O-N 3.43Å; Q272-S275 PolarHBondContact O-N 3.46Å; Q272-R276 WeakPolarHBondContact O-CG 3.49Å; Q272-R276 PolarHBondContact O-N 2.89Å; Q272-R276 VanDerWaalsContact O-N 3.12Å
273F88.6Confident89.7Confident20 Ų2078.3 Ų78.39%0.08841%0.407CS..Hα-helixtrans-64.3-44.8177.1-178.5-105.6000111.7A269 Q270 S275 R276 I277 F301 W305 A310A269-F273 WeakPolarHBondContact O-CB 3.38Å; A269-F273 PolarHBondContact O-N 3.45Å; Q270-F273 PolarHBondContact O-N 3.09Å; F273-S275 VanDerWaalsContact C-N 3.33Å; F273-S275 PolarHBondContact O-N 3.17Å; F273-R276 WeakPolarHBondContact O-CB 3.33Å; F273-R276 PolarHBondContact O-N 3.43Å; F273-R276 VanDerWaalsContact O-N 3.17Å; F273-I277 HydrophobicContact CD1-CD1 3.72Å; F273-I277 HydrophobicContact CE1-CD1 3.23Å; F273-I277 HydrophobicContact CE1-CG1 4.2Å; F273-I277 HydrophobicContact CZ-CD1 3.71Å; F273-I277 HydrophobicContact CZ-CG1 4.32Å; F273-I277 PolarHBondContact O-N 3.12Å; F273-I277 VanDerWaalsContact O-N 3.09Å; F273-F301 AromaticContact CE2-CD1 3.96Å; F273-F301 HydrophobicContact CE2-CD1 3.96Å; F273-F301 HydrophobicContact CZ-CB 4.21Å; F273-F301 AromaticContact CZ-CD1 3.84Å; F273-F301 HydrophobicContact CZ-CD1 3.84Å; F273-F301 HydrophobicContact CZ-CG 4.49Å; F273-W305 HydrophobicContact CB-CE3 3.93Å; F273-W305 HydrophobicContact CB-CZ3 3.71Å; F273-W305 HydrophobicContact CD1-CB 4.29Å; F273-W305 AromaticContact CD1-CD2 3.8Å; F273-W305 HydrophobicContact CD1-CD2 3.8Å; F273-W305 AromaticContact CD1-CE3 3.31Å; F273-W305 HydrophobicContact CD1-CE3 3.31Å; F273-W305 HydrophobicContact CD1-CG 4.21Å; F273-W305 AromaticContact CD1-CZ3 3.98Å; F273-W305 HydrophobicContact CD1-CZ3 3.98Å; F273-W305 HydrophobicContact CD2-CE3 4.19Å; F273-W305 HydrophobicContact CE1-CB 3.54Å; F273-W305 AromaticContact CE1-CD2 3.99Å; F273-W305 HydrophobicContact CE1-CD2 3.99Å; F273-W305 AromaticContact CE1-CE3 3.75Å; F273-W305 HydrophobicContact CE1-CE3 3.75Å; F273-W305 AromaticContact CE1-CG 3.92Å; F273-W305 HydrophobicContact CE1-CG 3.92Å; F273-W305 HydrophobicContact CG-CD2 4.46Å; F273-W305 AromaticContact CG-CE3 3.54Å; F273-W305 HydrophobicContact CG-CE3 3.54Å; F273-W305 AromaticContact CG-CZ3 3.87Å; F273-W305 HydrophobicContact CG-CZ3 3.87Å; F273-W305 HydrophobicContact CZ-CB 3.93Å; F273-W305 HydrophobicContact CZ-CE3 4.36Å; F273-A310 HydrophobicContact CD2-CB 3.72Å; F273-A310 HydrophobicContact CE2-CB 3.55Å; F273-A310 HydrophobicContact CG-CB 4.41Å; F273-A310 HydrophobicContact CZ-CB 4.13Å
274Q89.7Confident90.1Very high79 Ų7974.9 Ų74.937%0.36939%0.389SS..Hα-helixtrans-60.9-42.9176.6-170.45848.200111.6Q270 A271 R276 I277 D278Q270-Q274 WeakPolarHBondContact O-CB 3.48Å; Q270-Q274 PolarHBondContact O-N 3.09Å; A271-Q274 PolarHBondContact O-N 3.3Å; Q274-R276 VanDerWaalsContact C-N 3.31Å; Q274-R276 PolarHBondContact O-N 3.48Å; Q274-I277 WeakPolarHBondContact O-CB 3.33Å; Q274-I277 PolarHBondContact O-N 2.92Å; Q274-I277 VanDerWaalsContact O-N 3.12Å; Q274-D278 PolarHBondContact NE2-OD1 3.28Å; Q274-D278 PolarHBondContact O-N 3.35Å
275S92.6Very high90.5Very high61 Ų6177 Ų7743%0.42739%0.39SS..Hα-helixtrans-58.6-40.4175.4177.80000112.5A271 Q272 F273 D278 N279A271-S275 WeakPolarHBondContact O-CB 3.45Å; A271-S275 PolarHBondContact O-N 3.12Å; Q272-S275 PolarHBondContact O-N 3.46Å; F273-S275 VanDerWaalsContact C-N 3.33Å; F273-S275 PolarHBondContact O-N 3.17Å; S275-D278 PolarHBondContact O-N 3.25Å; S275-N279 VanDerWaalsContact O-CG 3.25Å; S275-N279 PolarHBondContact O-N 3.07Å; S275-N279 PolarHBondContact O-ND2 3Å
276R90.5Very high91Very high148 Ų14877.7 Ų77.756%0.55840%0.398SS*.Hα-helixtrans-62.7-44.2174.4-68.5175.6-172.8-1681.5111.8Q272 F273 Q274 D278 N279 I280Q272-R276 WeakPolarHBondContact O-CG 3.49Å; Q272-R276 PolarHBondContact O-N 2.89Å; Q272-R276 VanDerWaalsContact O-N 3.12Å; F273-R276 WeakPolarHBondContact O-CB 3.33Å; F273-R276 PolarHBondContact O-N 3.43Å; F273-R276 VanDerWaalsContact O-N 3.17Å; Q274-R276 VanDerWaalsContact C-N 3.31Å; Q274-R276 PolarHBondContact O-N 3.48Å; R276-D278 VanDerWaalsContact C-N 3.33Å; R276-D278 PolarHBondContact O-N 2.91Å; R276-N279 PolarHBondContact O-N 2.92Å; R276-I280 WeakPolarHBondContact O-CG1 3.38Å; R276-I280 PolarHBondContact O-N 3.31Å; R276-I280 VanDerWaalsContact O-N 3.16Å
277I91.1Very high91.6Very high8 Ų881 Ų814%0.04141%0.405CS..Hα-helixtrans-61.4-44.4176.9-68.6172000110.7F273 Q274 N279 I280 K281 F301F273-I277 HydrophobicContact CD1-CD1 3.72Å; F273-I277 HydrophobicContact CE1-CD1 3.23Å; F273-I277 HydrophobicContact CE1-CG1 4.2Å; F273-I277 HydrophobicContact CZ-CD1 3.71Å; F273-I277 HydrophobicContact CZ-CG1 4.32Å; F273-I277 PolarHBondContact O-N 3.12Å; F273-I277 VanDerWaalsContact O-N 3.09Å; Q274-I277 WeakPolarHBondContact O-CB 3.33Å; Q274-I277 PolarHBondContact O-N 2.92Å; Q274-I277 VanDerWaalsContact O-N 3.12Å; I277-N279 VanDerWaalsContact C-N 3.34Å; I277-N279 PolarHBondContact O-N 3.37Å; I277-I280 PolarHBondContact O-N 2.88Å; I277-I280 VanDerWaalsContact O-N 3.13Å; I277-K281 HydrophobicContact CG2-CD 3.97Å; I277-K281 VanDerWaalsContact CG2-CE 3.44Å; I277-K281 HydrophobicContact CG2-CG 4.24Å; I277-K281 WeakPolarHBondContact O-CG 3.48Å; I277-K281 PolarHBondContact O-N 3.12Å; I277-F301 HydrophobicContact CD1-CB 3.9Å; I277-F301 HydrophobicContact CD1-CD1 4.49Å; I277-F301 HydrophobicContact CD1-CG 4.25Å; I277-F301 HydrophobicContact CG1-CB 4.1Å; I277-F301 HydrophobicContact CG1-CD1 4.05Å; I277-F301 HydrophobicContact CG1-CD2 4.33Å; I277-F301 HydrophobicContact CG1-CG 3.91Å
278D93.7Very high92.1Very high71 Ų7186.6 Ų86.638%0.3843%0.426SS..Hα-helixtrans-65.1-39.7-177.2-65.6-20000111.3Q274 S275 R276 I280 K281 Q282Q274-D278 PolarHBondContact NE2-OD1 3.28Å; Q274-D278 PolarHBondContact O-N 3.35Å; S275-D278 PolarHBondContact O-N 3.25Å; R276-D278 VanDerWaalsContact C-N 3.33Å; R276-D278 PolarHBondContact O-N 2.91Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.04Å; D278-K281 PolarHBondContact O-N 3.13Å; D278-K281 IonicContact OD1-NZ 3.88Å; D278-Q282 WeakPolarHBondContact O-CB 3.49Å; D278-Q282 PolarHBondContact O-N 3.02Å
279N94.9Very high92.5Very high93 Ų9387 Ų8750%0.49743%0.425SS..Hα-helixtrans-59.9-40.4172-69.8-25.5000112.3S275 R276 I277 Q282 Y283S275-N279 VanDerWaalsContact O-CG 3.25Å; S275-N279 PolarHBondContact O-N 3.07Å; S275-N279 PolarHBondContact O-ND2 3Å; R276-N279 PolarHBondContact O-N 2.92Å; I277-N279 VanDerWaalsContact C-N 3.34Å; I277-N279 PolarHBondContact O-N 3.37Å; N279-Q282 PolarHBondContact O-N 3.48Å; N279-Y283 WeakPolarHBondContact O-CB 3.16Å; N279-Y283 PolarHBondContact O-N 3.48Å
280I94.3Very high93.1Very high61 Ų6188.1 Ų88.131%0.31343%0.43SS..Hα-helixtrans-71.2-40.5178.6-66.1168.7000111R276 I277 D278 Q282 Y283 M284 V297 F301R276-I280 WeakPolarHBondContact O-CG1 3.38Å; R276-I280 PolarHBondContact O-N 3.31Å; R276-I280 VanDerWaalsContact O-N 3.16Å; I277-I280 PolarHBondContact O-N 2.88Å; I277-I280 VanDerWaalsContact O-N 3.13Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.04Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 3.44Å; I280-Y283 WeakPolarHBondContact O-CB 3.44Å; I280-Y283 PolarHBondContact O-N 3.49Å; I280-M284 HydrophobicContact CG2-CE 4.14Å; I280-M284 WeakPolarHBondContact O-CG 3.49Å; I280-M284 PolarHBondContact O-N 2.84Å; I280-V297 HydrophobicContact CG2-CG1 4.13Å; I280-F301 HydrophobicContact CD1-CE1 4.28Å; I280-F301 HydrophobicContact CD1-CE2 3.6Å; I280-F301 HydrophobicContact CD1-CZ 3.26Å; I280-F301 HydrophobicContact CG2-CE2 4.33Å
281K93.4Very high93.4Very high59 Ų5990 Ų9026%0.25744%0.437SS..Hα-helixtrans-58.4-46.2172.6-73.9173.6179.4167.60110.8I277 D278 Y283 M284 Q285I277-K281 HydrophobicContact CG2-CD 3.97Å; I277-K281 VanDerWaalsContact CG2-CE 3.44Å; I277-K281 HydrophobicContact CG2-CG 4.24Å; I277-K281 WeakPolarHBondContact O-CG 3.48Å; I277-K281 PolarHBondContact O-N 3.12Å; D278-K281 PolarHBondContact O-N 3.13Å; D278-K281 IonicContact OD1-NZ 3.88Å; K281-Y283 PolarHBondContact O-N 2.99Å; K281-M284 HydrophobicContact CG-CE 4.38Å; K281-M284 PolarHBondContact O-N 2.99Å; K281-Q285 WeakPolarHBondContact O-CG 3.27Å; K281-Q285 PolarHBondContact O-N 3.46Å
282Q95.1Very high93.6Very high120 Ų12094.9 Ų94.956%0.56145%0.449SS*.Hα-helixtrans-60.1-45176.2-170.8-17815.100111.4D278 N279 I280 M284 Q285 V286D278-Q282 WeakPolarHBondContact O-CB 3.49Å; D278-Q282 PolarHBondContact O-N 3.02Å; N279-Q282 PolarHBondContact O-N 3.48Å; I280-Q282 VanDerWaalsContact C-N 3.32Å; I280-Q282 PolarHBondContact O-N 3.44Å; Q282-M284 PolarHBondContact O-N 3.11Å; Q282-Q285 PolarHBondContact O-N 3.21Å; Q282-V286 WeakPolarHBondContact O-CG2 3.45Å; Q282-V286 PolarHBondContact O-N 3.06Å
283Y95.8Very high93.7Very high142 Ų14292.8 Ų92.856%0.55744%0.442SS*.Hα-helixtrans-57.6-47175.7177.8-92.6000112.2N279 I280 K281 Q285 V286 R287N279-Y283 WeakPolarHBondContact O-CB 3.16Å; N279-Y283 PolarHBondContact O-N 3.48Å; I280-Y283 WeakPolarHBondContact O-CB 3.44Å; I280-Y283 PolarHBondContact O-N 3.49Å; K281-Y283 PolarHBondContact O-N 2.99Å; Y283-Q285 VanDerWaalsContact C-N 3.34Å; Y283-Q285 PolarHBondContact O-N 2.71Å; Y283-V286 PolarHBondContact O-N 2.67Å; Y283-R287 HydrophobicContact CD1-CG 4.4Å; Y283-R287 HydrophobicContact CD2-CG 4.4Å; Y283-R287 HydrophobicContact CE1-CG 4.04Å; Y283-R287 HydrophobicContact CE2-CG 4.03Å; Y283-R287 WeakPolarHBondContact O-CB 3.39Å; Y283-R287 WeakPolarHBondContact O-CG 3.44Å; Y283-R287 PolarHBondContact O-N 3.32Å
284M95.9Very high93.9Very high10 Ų1092.7 Ų92.75%0.04944%0.442CS..Hα-helixtrans-63.8-38.5179.2-71.4-171.1-6400112.5I280 K281 Q282 K288 V289 E294 V297I280-M284 HydrophobicContact CG2-CE 4.14Å; I280-M284 WeakPolarHBondContact O-CG 3.49Å; I280-M284 PolarHBondContact O-N 2.84Å; K281-M284 HydrophobicContact CG-CE 4.38Å; K281-M284 PolarHBondContact O-N 2.99Å; Q282-M284 PolarHBondContact O-N 3.11Å; M284-K288 PolarHBondContact O-N 3.4Å; M284-V289 HydrophobicContact CB-CB 4.08Å; M284-V289 HydrophobicContact CB-CG2 4.13Å; M284-V289 HydrophobicContact CG-CB 4.34Å; M284-V289 HydrophobicContact CG-CG2 4.18Å; M284-V289 PolarHBondContact O-N 2.97Å; M284-E294 HydrophobicContact CE-CB 4.31Å; M284-E294 HydrophobicContact CE-CG 3.78Å; M284-E294 HydrophobicContact SD-CB 4.23Å; M284-E294 HydrophobicContact SD-CG 4.34Å; M284-V297 HydrophobicContact CE-CB 4.32Å; M284-V297 HydrophobicContact CE-CG1 4.11Å; M284-V297 HydrophobicContact SD-CB 4.1Å; M284-V297 HydrophobicContact SD-CG1 4.18Å; M284-V297 HydrophobicContact SD-CG2 4.12Å
285Q94.1Very high94Very high123 Ų12393.8 Ų93.858%0.57545%0.449SS*.Hα-helixtrans-65.2-48.2176.3-73.2179.45.800111.7K281 Q282 Y283 R287 K288K281-Q285 WeakPolarHBondContact O-CG 3.27Å; K281-Q285 PolarHBondContact O-N 3.46Å; Q282-Q285 PolarHBondContact O-N 3.21Å; Y283-Q285 VanDerWaalsContact C-N 3.34Å; Y283-Q285 PolarHBondContact O-N 2.71Å; Q285-R287 VanDerWaalsContact C-N 3.28Å; Q285-R287 PolarHBondContact O-N 3.44Å; Q285-K288 PolarHBondContact O-N 3.21Å; Q285-K288 VanDerWaalsContact O-N 3.12Å
286V96.9Very high94Very high105 Ų10597 Ų9764%0.63645%0.452SS*.Hα-helixtrans-61.4-39178.6171.30000111.2Q282 Y283 K288Q282-V286 WeakPolarHBondContact O-CG2 3.45Å; Q282-V286 PolarHBondContact O-N 3.06Å; Y283-V286 PolarHBondContact O-N 2.67Å; V286-K288 VanDerWaalsContact C-N 3.3Å; V286-K288 PolarHBondContact O-N 3.14Å
287R96.7Very high94.1Very high169 Ų16991.7 Ų91.764%0.63844%0.436SS*.THydrogen-bonded Turntrans-84.30.9179.1-62.3-59.6-174.4-176.1-1114.2Y283 Q285 V289Y283-R287 HydrophobicContact CD1-CG 4.4Å; Y283-R287 HydrophobicContact CD2-CG 4.4Å; Y283-R287 HydrophobicContact CE1-CG 4.04Å; Y283-R287 HydrophobicContact CE2-CG 4.03Å; Y283-R287 WeakPolarHBondContact O-CB 3.39Å; Y283-R287 WeakPolarHBondContact O-CG 3.44Å; Y283-R287 PolarHBondContact O-N 3.32Å; Q285-R287 VanDerWaalsContact C-N 3.28Å; Q285-R287 PolarHBondContact O-N 3.44Å; R287-V289 VanDerWaalsContact C-N 3.29Å; R287-V289 HydrophobicContact CB-CG2 4.23Å; R287-V289 PolarHBondContact O-N 3.29Å
288K95.2Very high94.1Very high191 Ų19193.1 Ų93.183%0.8344%0.443SS*.THydrogen-bonded Turntrans51.846.1-179.8-59.2180178.6179.80112.6M284 Q285 V286M284-K288 PolarHBondContact O-N 3.4Å; Q285-K288 PolarHBondContact O-N 3.21Å; Q285-K288 VanDerWaalsContact O-N 3.12Å; V286-K288 VanDerWaalsContact C-N 3.3Å; V286-K288 PolarHBondContact O-N 3.14Å
289V96.3Very high94.1Very high40 Ų4096 Ų9624%0.24245%0.453CS..  trans-63.6148.8174.41760000109.9M284 R287 L293M284-V289 HydrophobicContact CB-CB 4.08Å; M284-V289 HydrophobicContact CB-CG2 4.13Å; M284-V289 HydrophobicContact CG-CB 4.34Å; M284-V289 HydrophobicContact CG-CG2 4.18Å; M284-V289 PolarHBondContact O-N 2.97Å; R287-V289 VanDerWaalsContact C-N 3.29Å; R287-V289 HydrophobicContact CB-CG2 4.23Å; R287-V289 PolarHBondContact O-N 3.29Å; V289-L293 HydrophobicContact CG1-CB 3.79Å; V289-L293 HydrophobicContact CG1-CD2 3.68Å; V289-L293 HydrophobicContact CG1-CG 3.94Å
290S96.5Very high93.9Very high70 Ų7095.4 Ų95.449%0.4944%0.443SS..  trans-61.1144.3178.367.50000111.5E292 L293 E294S290-E292 PolarHBondContact O-N 3.38Å; S290-L293 PolarHBondContact O-N 3.42Å; S290-L293 VanDerWaalsContact O-N 3.11Å; S290-L293 WeakPolarHBondContact OG-CB 3.43Å; S290-L293 PolarHBondContact OG-N 3.11Å; S290-E294 PolarHBondContact O-N 2.89Å
291K92.1Very high93.7Very high137 Ų13793.7 Ų93.760%0.59643%0.434SS*.Hα-helixtrans-60.6-30.5179.5-71.8-70.4167.8-161.50112.9E294 L295K291-E294 WeakPolarHBondContact CD-OE2 3.36Å; K291-E294 WeakPolarHBondContact CE-OE2 3.26Å; K291-E294 IonicContact NZ-OE1 3.7Å; K291-E294 IonicContact NZ-OE2 3.85Å; K291-E294 PolarHBondContact NZ-OE2 2.88Å; K291-L295 WeakPolarHBondContact O-CB 3.37Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.48Å; K291-L295 PolarHBondContact O-N 3.34Å
292E93.2Very high93.5Very high163 Ų16394.6 Ų94.676%0.76244%0.442SS*.Hα-helixtrans-64.8-45.5175.1-171.7178.3-177.900112.1S290 L295 R296S290-E292 PolarHBondContact O-N 3.38Å; E292-L295 PolarHBondContact O-N 3.32Å; E292-R296 PolarHBondContact O-N 3.48Å
293L92.1Very high93.3Very high78 Ų7890.5 Ų90.541%0.40842%0.421SS..Hα-helixtrans-69.4-39.3177.4-175.359.9000111.2V289 S290 L295 R296 V297V289-L293 HydrophobicContact CG1-CB 3.79Å; V289-L293 HydrophobicContact CG1-CD2 3.68Å; V289-L293 HydrophobicContact CG1-CG 3.94Å; S290-L293 PolarHBondContact O-N 3.42Å; S290-L293 VanDerWaalsContact O-N 3.11Å; S290-L293 WeakPolarHBondContact OG-CB 3.43Å; S290-L293 PolarHBondContact OG-N 3.11Å; L293-L295 PolarHBondContact O-N 3.46Å; L293-R296 PolarHBondContact O-N 2.9Å; L293-V297 HydrophobicContact CD1-CG2 4.46Å; L293-V297 WeakPolarHBondContact O-CG2 3.47Å; L293-V297 PolarHBondContact O-N 2.56Å
294E92.4Very high93Very high19 Ų1984.5 Ų84.59%0.08940%0.398CS..Hα-helixtrans-56.9-48.6174.5-179.6176.1179.800111.6M284 S290 K291 R296 V297 I298M284-E294 HydrophobicContact CE-CB 4.31Å; M284-E294 HydrophobicContact CE-CG 3.78Å; M284-E294 HydrophobicContact SD-CB 4.23Å; M284-E294 HydrophobicContact SD-CG 4.34Å; S290-E294 PolarHBondContact O-N 2.89Å; K291-E294 WeakPolarHBondContact CD-OE2 3.36Å; K291-E294 WeakPolarHBondContact CE-OE2 3.26Å; K291-E294 IonicContact NZ-OE1 3.7Å; K291-E294 IonicContact NZ-OE2 3.85Å; K291-E294 PolarHBondContact NZ-OE2 2.88Å; E294-R296 VanDerWaalsContact C-N 3.33Å; E294-R296 PolarHBondContact O-N 3.16Å; E294-V297 PolarHBondContact O-N 3.48Å; E294-I298 HydrophobicContact CG-CD1 4.05Å; E294-I298 WeakPolarHBondContact O-CG1 3.4Å; E294-I298 PolarHBondContact O-N 2.95Å
295L92.1Very high92.6Very high102 Ų10288.1 Ų88.153%0.53441%0.412SS..Hα-helixtrans-63.1-38.2176.7-74.6171.8000112.5K291 E292 L293 I298 K299K291-L295 WeakPolarHBondContact O-CB 3.37Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.48Å; K291-L295 PolarHBondContact O-N 3.34Å; E292-L295 PolarHBondContact O-N 3.32Å; L293-L295 PolarHBondContact O-N 3.46Å; L295-I298 PolarHBondContact O-N 2.56Å; L295-K299 WeakPolarHBondContact O-CB 3.34Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 2.65Å
296R91.9Very high92.3Very high128 Ų12888.2 Ų88.248%0.48342%0.416SS..Hα-helixtrans-65-42.2176.8-178.6172.3161.4-149.8-8.1111.7E292 L293 E294 K299 W300 D367E292-R296 PolarHBondContact O-N 3.48Å; L293-R296 PolarHBondContact O-N 2.9Å; E294-R296 VanDerWaalsContact C-N 3.33Å; E294-R296 PolarHBondContact O-N 3.16Å; R296-K299 PolarHBondContact O-N 3.45Å; R296-W300 PolarHBondContact O-N 3.09Å; R296-W300 VanDerWaalsContact O-N 3.07Å; R296-D367 IonicContact CZ-OD1 3.73Å; R296-D367 IonicContact NE-OD1 2.78Å; R296-D367 IonicContact NH2-OD1 3.4Å; R296-D367 PolarHBondContact NH2-OD1 3.31Å; R296-D367 IonicContact NH2-OD2 2.68Å
297V92.6Very high91.8Very high37 Ų3787.2 Ų87.222%0.22441%0.407CS..Hα-helixtrans-62.9-45.6176.1171.30000111I280 M284 L293 E294 W300 F301I280-V297 HydrophobicContact CG2-CG1 4.13Å; M284-V297 HydrophobicContact CE-CB 4.32Å; M284-V297 HydrophobicContact CE-CG1 4.11Å; M284-V297 HydrophobicContact SD-CB 4.1Å; M284-V297 HydrophobicContact SD-CG1 4.18Å; M284-V297 HydrophobicContact SD-CG2 4.12Å; L293-V297 HydrophobicContact CD1-CG2 4.46Å; L293-V297 WeakPolarHBondContact O-CG2 3.47Å; L293-V297 PolarHBondContact O-N 2.56Å; E294-V297 PolarHBondContact O-N 3.48Å; V297-W300 PolarHBondContact O-N 2.9Å; V297-F301 HydrophobicContact CG1-CD2 3.82Å; V297-F301 HydrophobicContact CG1-CE2 3.66Å; V297-F301 VanDerWaalsContact O-CD2 3.29Å; V297-F301 WeakPolarHBondContact O-CD2 3.49Å; V297-F301 PolarHBondContact O-N 2.87Å; V297-F301 VanDerWaalsContact O-N 3.09Å
298I91.9Very high91.1Very high37 Ų3782.3 Ų82.319%0.1941%0.409CS..Hα-helixtrans-61.7-47.2178.5-66.1166.1000110.8E294 L295 W300 F301 D302E294-I298 HydrophobicContact CG-CD1 4.05Å; E294-I298 WeakPolarHBondContact O-CG1 3.4Å; E294-I298 PolarHBondContact O-N 2.95Å; L295-I298 PolarHBondContact O-N 2.56Å; I298-W300 VanDerWaalsContact C-N 3.27Å; I298-W300 PolarHBondContact O-N 3.3Å; I298-F301 PolarHBondContact O-N 3.04Å; I298-F301 VanDerWaalsContact O-N 3.12Å; I298-D302 PolarHBondContact O-N 2.81Å
299K91.9Very high90.4Very high132 Ų13276 Ų7657%0.57438%0.382SS*.Hα-helixtrans-58.9-37.4177.2-77.4178.1179-179.70113L295 R296 D302 Y303 Y433L295-K299 WeakPolarHBondContact O-CB 3.34Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 2.65Å; R296-K299 PolarHBondContact O-N 3.45Å; K299-D302 PolarHBondContact O-N 3.22Å; K299-Y303 PolarHBondContact O-N 3.32Å; K299-Y433 PolarHBondContact O-OH 3.36Å
300W91Very high89.4Confident80 Ų8075.1 Ų75.130%0.30338%0.378SS..Hα-helixtrans-65.9-43.3176.1177.280.8000111.7R296 V297 I298 Y303 L304 V362R296-W300 PolarHBondContact O-N 3.09Å; R296-W300 VanDerWaalsContact O-N 3.07Å; V297-W300 PolarHBondContact O-N 2.9Å; I298-W300 VanDerWaalsContact C-N 3.27Å; I298-W300 PolarHBondContact O-N 3.3Å; W300-Y303 WeakPolarHBondContact O-CB 3.3Å; W300-Y303 PolarHBondContact O-N 3.35Å; W300-L304 HydrophobicContact CD2-CD1 3.93Å; W300-L304 HydrophobicContact CD2-CG 4.34Å; W300-L304 HydrophobicContact CE3-CD1 3.8Å; W300-L304 HydrophobicContact CH2-CD1 3.37Å; W300-L304 HydrophobicContact CZ2-CD1 3.49Å; W300-L304 VanDerWaalsContact CZ2-CD1 3.49Å; W300-L304 HydrophobicContact CZ2-CG 4.28Å; W300-L304 HydrophobicContact CZ3-CD1 3.52Å; W300-L304 WeakPolarHBondContact O-CG 3.48Å; W300-L304 PolarHBondContact O-N 3.01Å; W300-V362 PolarHBondContact NE1-O 3.18Å
301F90.9Very high88.3Confident26 Ų2677.9 Ų77.911%0.11438%0.384CS..Hα-helixtrans-63.8-41.3174.3-82.5-65.3000112.9F273 I277 I280 V297 I298 Y303 L304 W305F273-F301 AromaticContact CE2-CD1 3.96Å; F273-F301 HydrophobicContact CE2-CD1 3.96Å; F273-F301 HydrophobicContact CZ-CB 4.21Å; F273-F301 AromaticContact CZ-CD1 3.84Å; F273-F301 HydrophobicContact CZ-CD1 3.84Å; F273-F301 HydrophobicContact CZ-CG 4.49Å; I277-F301 HydrophobicContact CD1-CB 3.9Å; I277-F301 HydrophobicContact CD1-CD1 4.49Å; I277-F301 HydrophobicContact CD1-CG 4.25Å; I277-F301 HydrophobicContact CG1-CB 4.1Å; I277-F301 HydrophobicContact CG1-CD1 4.05Å; I277-F301 HydrophobicContact CG1-CD2 4.33Å; I277-F301 HydrophobicContact CG1-CG 3.91Å; I280-F301 HydrophobicContact CD1-CE1 4.28Å; I280-F301 HydrophobicContact CD1-CE2 3.6Å; I280-F301 HydrophobicContact CD1-CZ 3.26Å; I280-F301 HydrophobicContact CG2-CE2 4.33Å; V297-F301 HydrophobicContact CG1-CD2 3.82Å; V297-F301 HydrophobicContact CG1-CE2 3.66Å; V297-F301 VanDerWaalsContact O-CD2 3.29Å; V297-F301 WeakPolarHBondContact O-CD2 3.49Å; V297-F301 PolarHBondContact O-N 2.87Å; V297-F301 VanDerWaalsContact O-N 3.09Å; I298-F301 PolarHBondContact O-N 3.04Å; I298-F301 VanDerWaalsContact O-N 3.12Å; F301-Y303 VanDerWaalsContact C-N 3.29Å; F301-Y303 PolarHBondContact O-N 3.25Å; F301-L304 HydrophobicContact CD1-CD1 4.38Å; F301-L304 PolarHBondContact O-N 3.48Å; F301-W305 PolarHBondContact O-N 3.03Å
302D89.8Confident87.5Confident78 Ų7875.7 Ų75.742%0.41738%0.379SS..Hα-helixtrans-59.7-41.6175.5-67.7-23.5000111.1I298 K299 W305 N306I298-D302 PolarHBondContact O-N 2.81Å; K299-D302 PolarHBondContact O-N 3.22Å; D302-W305 PolarHBondContact O-N 3.06Å; D302-N306 WeakPolarHBondContact O-CB 3.43Å; D302-N306 VanDerWaalsContact O-CG 3.24Å; D302-N306 PolarHBondContact O-N 3.24Å; D302-N306 PolarHBondContact O-ND2 3.3Å; D302-N306 VanDerWaalsContact O-ND2 3.17Å
303Y89.9Confident86.7Confident34 Ų3471.5 Ų71.513%0.13336%0.359CS..Hα-helixtrans-62.8-45.4174.6177.4-93.8000112.1K299 W300 F301 W305 N307 K309 V362 Y433K299-Y303 PolarHBondContact O-N 3.32Å; W300-Y303 WeakPolarHBondContact O-CB 3.3Å; W300-Y303 PolarHBondContact O-N 3.35Å; F301-Y303 VanDerWaalsContact C-N 3.29Å; F301-Y303 PolarHBondContact O-N 3.25Å; Y303-W305 VanDerWaalsContact C-N 3.31Å; Y303-W305 PolarHBondContact O-N 3.48Å; Y303-N307 WeakPolarHBondContact CE2-ND2 3.46Å; Y303-N307 WeakPolarHBondContact O-CB 3.45Å; Y303-N307 PolarHBondContact O-N 3.44Å; Y303-N307 VanDerWaalsContact O-N 3.15Å; Y303-N307 PolarHBondContact O-OD1 3.19Å; Y303-N307 PolarHBondContact OH-ND2 3.46Å; Y303-K309 HydrophobicContact CE1-CD 4.41Å; Y303-K309 PolarHBondContact OH-NZ 2.69Å; Y303-V362 HydrophobicContact CD1-CG1 3.91Å; Y303-V362 HydrophobicContact CE1-CG1 3.58Å; Y303-Y433 AromaticContact CD1-CD1 3.52Å; Y303-Y433 HydrophobicContact CD1-CD1 3.52Å; Y303-Y433 AromaticContact CD1-CE1 3.9Å; Y303-Y433 HydrophobicContact CD1-CE1 3.9Å; Y303-Y433 AromaticContact CD1-CG 3.97Å; Y303-Y433 HydrophobicContact CD1-CG 3.97Å; Y303-Y433 AromaticContact CD2-CD1 3.84Å; Y303-Y433 HydrophobicContact CD2-CD1 3.84Å; Y303-Y433 AromaticContact CD2-CD2 3.55Å; Y303-Y433 HydrophobicContact CD2-CD2 3.55Å; Y303-Y433 HydrophobicContact CD2-CE1 4.11Å; Y303-Y433 AromaticContact CD2-CE2 3.82Å; Y303-Y433 HydrophobicContact CD2-CE2 3.82Å; Y303-Y433 AromaticContact CD2-CG 3.55Å; Y303-Y433 HydrophobicContact CD2-CG 3.55Å; Y303-Y433 AromaticContact CE1-CD1 3.8Å; Y303-Y433 HydrophobicContact CE1-CD1 3.8Å; Y303-Y433 AromaticContact CE1-CG 3.94Å; Y303-Y433 HydrophobicContact CE1-CG 3.94Å; Y303-Y433 HydrophobicContact CE2-CD1 4.09Å; Y303-Y433 AromaticContact CE2-CD2 3.71Å; Y303-Y433 HydrophobicContact CE2-CD2 3.71Å; Y303-Y433 HydrophobicContact CE2-CE2 4.44Å; Y303-Y433 AromaticContact CE2-CG 3.5Å; Y303-Y433 HydrophobicContact CE2-CG 3.5Å; Y303-Y433 VanDerWaalsContact CE2-CG 3.5Å; Y303-Y433 AromaticContact CG-CD1 3.55Å; Y303-Y433 HydrophobicContact CG-CD1 3.55Å; Y303-Y433 HydrophobicContact CG-CD2 4.09Å; Y303-Y433 AromaticContact CG-CE1 3.62Å; Y303-Y433 HydrophobicContact CG-CE1 3.62Å; Y303-Y433 HydrophobicContact CG-CE2 4.14Å; Y303-Y433 AromaticContact CG-CG 3.79Å; Y303-Y433 HydrophobicContact CG-CG 3.79Å; Y303-Y433 AromaticContact CG-CZ 3.91Å; Y303-Y433 AromaticContact CZ-CG 3.71Å
304L89Confident85.9Confident15 Ų1573.8 Ų73.88%0.07936%0.362CS..Hα-helixtrans-59.8-41.7177.6-74.1-179.9000112.3W300 F301 G308 K309 A310 V362W300-L304 HydrophobicContact CD2-CD1 3.93Å; W300-L304 HydrophobicContact CD2-CG 4.34Å; W300-L304 HydrophobicContact CE3-CD1 3.8Å; W300-L304 HydrophobicContact CH2-CD1 3.37Å; W300-L304 HydrophobicContact CZ2-CD1 3.49Å; W300-L304 VanDerWaalsContact CZ2-CD1 3.49Å; W300-L304 HydrophobicContact CZ2-CG 4.28Å; W300-L304 HydrophobicContact CZ3-CD1 3.52Å; W300-L304 WeakPolarHBondContact O-CG 3.48Å; W300-L304 PolarHBondContact O-N 3.01Å; F301-L304 HydrophobicContact CD1-CD1 4.38Å; F301-L304 PolarHBondContact O-N 3.48Å; L304-G308 PolarHBondContact O-N 3.38Å; L304-K309 HydrophobicContact CD2-CB 3.85Å; L304-K309 CarbonylContact O-C 3.6Å; L304-K309 WeakPolarHBondContact O-CA 3.47Å; L304-K309 PolarHBondContact O-N 3.23Å; L304-A310 PolarHBondContact O-N 3.04Å; L304-V362 HydrophobicContact CD2-CB 4.03Å; L304-V362 HydrophobicContact CD2-CG1 4.21Å; L304-V362 HydrophobicContact CD2-CG2 3.83Å
305W87.8Confident85.3Confident87 Ų8777.6 Ų77.633%0.3338%0.38SS..Hα-helixtrans-68.4-53179.7-175.9-105.1000112.3Q270 F273 F301 D302 Y303 N307 G308 A310Q270-W305 HydrophobicContact CB-CH2 3.6Å; Q270-W305 HydrophobicContact CB-CZ2 3.67Å; Q270-W305 HydrophobicContact CG-CH2 3.95Å; Q270-W305 HydrophobicContact CG-CZ2 3.57Å; F273-W305 HydrophobicContact CB-CE3 3.93Å; F273-W305 HydrophobicContact CB-CZ3 3.71Å; F273-W305 HydrophobicContact CD1-CB 4.29Å; F273-W305 AromaticContact CD1-CD2 3.8Å; F273-W305 HydrophobicContact CD1-CD2 3.8Å; F273-W305 AromaticContact CD1-CE3 3.31Å; F273-W305 HydrophobicContact CD1-CE3 3.31Å; F273-W305 HydrophobicContact CD1-CG 4.21Å; F273-W305 AromaticContact CD1-CZ3 3.98Å; F273-W305 HydrophobicContact CD1-CZ3 3.98Å; F273-W305 HydrophobicContact CD2-CE3 4.19Å; F273-W305 HydrophobicContact CE1-CB 3.54Å; F273-W305 AromaticContact CE1-CD2 3.99Å; F273-W305 HydrophobicContact CE1-CD2 3.99Å; F273-W305 AromaticContact CE1-CE3 3.75Å; F273-W305 HydrophobicContact CE1-CE3 3.75Å; F273-W305 AromaticContact CE1-CG 3.92Å; F273-W305 HydrophobicContact CE1-CG 3.92Å; F273-W305 HydrophobicContact CG-CD2 4.46Å; F273-W305 AromaticContact CG-CE3 3.54Å; F273-W305 HydrophobicContact CG-CE3 3.54Å; F273-W305 AromaticContact CG-CZ3 3.87Å; F273-W305 HydrophobicContact CG-CZ3 3.87Å; F273-W305 HydrophobicContact CZ-CB 3.93Å; F273-W305 HydrophobicContact CZ-CE3 4.36Å; F301-W305 PolarHBondContact O-N 3.03Å; D302-W305 PolarHBondContact O-N 3.06Å; Y303-W305 VanDerWaalsContact C-N 3.31Å; Y303-W305 PolarHBondContact O-N 3.48Å; W305-N307 PolarHBondContact O-N 2.88Å; W305-G308 PolarHBondContact O-N 2.92Å; W305-A310 HydrophobicContact CE3-CB 3.81Å; W305-A310 HydrophobicContact CZ3-CB 4.39Å
306N88.3Confident84.9Confident125 Ų12576.5 Ų76.567%0.66838%0.377SS*.Hα-helixtrans-64.6-25.5-174.9-69.4-25.7000112.8D302D302-N306 WeakPolarHBondContact O-CB 3.43Å; D302-N306 VanDerWaalsContact O-CG 3.24Å; D302-N306 PolarHBondContact O-N 3.24Å; D302-N306 PolarHBondContact O-ND2 3.3Å; D302-N306 VanDerWaalsContact O-ND2 3.17Å
307N86.3Confident84.4Confident83 Ų8372.1 Ų72.144%0.44436%0.363SS..THydrogen-bonded Turntrans-97.77.6178.6-6942.8000113.3Y303 W305 K309Y303-N307 WeakPolarHBondContact CE2-ND2 3.46Å; Y303-N307 WeakPolarHBondContact O-CB 3.45Å; Y303-N307 PolarHBondContact O-N 3.44Å; Y303-N307 VanDerWaalsContact O-N 3.15Å; Y303-N307 PolarHBondContact O-OD1 3.19Å; Y303-N307 PolarHBondContact OH-ND2 3.46Å; W305-N307 PolarHBondContact O-N 2.88Å; N307-K309 VanDerWaalsContact C-N 3.28Å; N307-K309 HydrophobicContact CB-CD 4.25Å; N307-K309 HydrophobicContact CB-CG 4.34Å; N307-K309 PolarHBondContact O-N 2.66Å
308G82.4Confident84Confident66 Ų6678 Ų7868%0.6838%0.381SS*.THydrogen-bonded Turntrans6921.8177.300000114.7L304 W305L304-G308 PolarHBondContact O-N 3.38Å; W305-G308 PolarHBondContact O-N 2.92Å
309K80.6Confident83.7Confident59 Ų5984.9 Ų84.926%0.25741%0.406SS..  trans-101.88.6-177.5-60.2175.4-172.1166.10113.2Y303 L304 N307 Q311 V362 D435Y303-K309 HydrophobicContact CE1-CD 4.41Å; Y303-K309 PolarHBondContact OH-NZ 2.69Å; L304-K309 HydrophobicContact CD2-CB 3.85Å; L304-K309 CarbonylContact O-C 3.6Å; L304-K309 WeakPolarHBondContact O-CA 3.47Å; L304-K309 PolarHBondContact O-N 3.23Å; N307-K309 VanDerWaalsContact C-N 3.28Å; N307-K309 HydrophobicContact CB-CD 4.25Å; N307-K309 HydrophobicContact CB-CG 4.34Å; N307-K309 PolarHBondContact O-N 2.66Å; K309-Q311 VanDerWaalsContact C-N 3.31Å; K309-V362 HydrophobicContact CD-CG2 3.87Å; K309-D435 WeakPolarHBondContact CE-OD1 3.47Å; K309-D435 WeakPolarHBondContact CE-OD2 2.99Å; K309-D435 IonicContact NZ-OD1 3.84Å; K309-D435 PolarHBondContact NZ-OD1 2.93Å; K309-D435 IonicContact NZ-OD2 3.67Å; K309-D435 PolarHBondContact NZ-OD2 3.33Å
310A73.7Confident83.5Confident21 Ų2181.2 Ų81.217%0.17439%0.393CS..  trans-75.1-19.1-177.900000113.6F273 L304 W305F273-A310 HydrophobicContact CD2-CB 3.72Å; F273-A310 HydrophobicContact CE2-CB 3.55Å; F273-A310 HydrophobicContact CG-CB 4.41Å; F273-A310 HydrophobicContact CZ-CB 4.13Å; L304-A310 PolarHBondContact O-N 3.04Å; W305-A310 HydrophobicContact CE3-CB 3.81Å; W305-A310 HydrophobicContact CZ3-CB 4.39Å
311Q75.4Confident83.5Confident129 Ų12981.4 Ų81.460%0.60340%0.404SS*.SBendtrans-93.2137.4178.1-69.7-171.2-11.500111K309 E313K309-Q311 VanDerWaalsContact C-N 3.31Å; Q311-E313 PolarHBondContact O-N 3.41Å
312D75Confident83.1Confident91 Ų9185.3 Ų85.349%0.48743%0.427SS..  trans-78111.4173.1-170.9-16.4000109.3R314 E315 V316D312-R314 PolarHBondContact O-N 3.46Å; D312-R314 WeakPolarHBondContact OD1-CB 3.4Å; D312-R314 PolarHBondContact OD1-N 3.15Å; D312-E315 HydrophobicContact CB-CB 4.35Å; D312-E315 HydrophobicContact CB-CG 4.38Å; D312-E315 PolarHBondContact O-N 3.19Å; D312-V316 PolarHBondContact O-N 3.28Å
313E75.6Confident82.9Confident75 Ų7589 Ų8935%0.3544%0.439SS..Hα-helixtrans-54.9-33.7178.9-68.2178.8172.500111.8Q311 V316 L317 H333Q311-E313 PolarHBondContact O-N 3.41Å; E313-V316 PolarHBondContact O-N 3.45Å; E313-L317 WeakPolarHBondContact O-CB 3.46Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 3Å; E313-H333 IonicContact OE2-CE1 2.85Å; E313-H333 IonicContact OE2-NE2 2.77Å
314R75Confident82.9Confident125 Ų12591.2 Ų91.247%0.47245%0.453SS..Hα-helixtrans-67.5-40.4-178.6-70.2-178.2166.8-157.6-9.5112.5D312 R318D312-R314 PolarHBondContact O-N 3.46Å; D312-R314 WeakPolarHBondContact OD1-CB 3.4Å; D312-R314 PolarHBondContact OD1-N 3.15Å; R314-R318 PolarHBondContact O-N 3.34Å; R314-R318 VanDerWaalsContact O-N 3.15Å
315E81.1Confident82.7Confident99 Ų9994.6 Ų94.646%0.46346%0.464SS..Hα-helixtrans-67.6-39.4177.2-78.3-66.4136.400111.2D312 R318D312-E315 HydrophobicContact CB-CB 4.35Å; D312-E315 HydrophobicContact CB-CG 4.38Å; D312-E315 PolarHBondContact O-N 3.19Å; E315-R318 WeakPolarHBondContact O-CB 3.47Å; E315-R318 PolarHBondContact O-N 3.29Å; E315-R318 IonicContact OE1-NH1 3.89Å; E315-R318 IonicContact OE2-NH1 3.27Å
316V81.9Confident82.4Confident79 Ų7991.3 Ų91.348%0.47946%0.455SS..Hα-helixtrans-65.8-42.8178.1178.60000111.2D312 E313 R318D312-V316 PolarHBondContact O-N 3.28Å; E313-V316 PolarHBondContact O-N 3.45Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 2.98Å
317L82.1Confident82.3Confident36 Ų3690.1 Ų90.119%0.18845%0.446CS..Hα-helixtrans-81.7-5.2-177.3-61.4175.8000113.8E313 Y319 L320 R325 I328E313-L317 WeakPolarHBondContact O-CB 3.46Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.38Å; E313-L317 PolarHBondContact O-N 3Å; L317-Y319 PolarHBondContact O-N 3.17Å; L317-L320 HydrophobicContact CD2-CD1 3.69Å; L317-L320 PolarHBondContact O-N 3.46Å; L317-R325 HydrophobicContact CB-CG 4.12Å; L317-R325 HydrophobicContact CD1-CG 4.45Å; L317-I328 HydrophobicContact CD2-CD1 4.08Å; L317-I328 HydrophobicContact CD2-CG2 4.2Å
318R84.9Confident82.4Confident160 Ų16089.3 Ų89.360%0.60444%0.441SS*.THydrogen-bonded Turntrans-63.8-26-178.9-167.9179.3121.4-171.41.8113.6R314 E315 V316 L320R314-R318 PolarHBondContact O-N 3.34Å; R314-R318 VanDerWaalsContact O-N 3.15Å; E315-R318 WeakPolarHBondContact O-CB 3.47Å; E315-R318 PolarHBondContact O-N 3.29Å; E315-R318 IonicContact OE1-NH1 3.89Å; E315-R318 IonicContact OE2-NH1 3.27Å; V316-R318 VanDerWaalsContact C-N 3.3Å; V316-R318 PolarHBondContact O-N 2.98Å; R318-L320 VanDerWaalsContact C-N 3.28Å
319Y85.4Confident82.4Confident182 Ų18286.5 Ų86.571%0.71441%0.412SS*.THydrogen-bonded Turntrans-81.1-7.8-179.9-60.2-77.4000113.7L317L317-Y319 PolarHBondContact O-N 3.17Å
320L87.6Confident82.6Confident55 Ų5586 Ų8629%0.28841%0.411SS..SBendtrans-92.5142.2-178.6-61.4176.2000110.9L317 R318 L324 I328L317-L320 HydrophobicContact CD2-CD1 3.69Å; L317-L320 PolarHBondContact O-N 3.46Å; R318-L320 VanDerWaalsContact C-N 3.28Å; L320-L324 HydrophobicContact CB-CB 4.39Å; L320-I328 HydrophobicContact CD1-CD1 3.43Å; L320-I328 VanDerWaalsContact CD1-CD1 3.43Å
321P90.1Very high83.1Confident85 Ų8592.7 Ų92.755%0.55244%0.439SS*.  trans-54.3147.1165.7-22.831.9000111.5K323 L324 R325P321-K323 PolarHBondContact O-N 3.1Å; P321-L324 HydrophobicContact CG-CD1 4.47Å; P321-L324 PolarHBondContact O-N 3.31Å; P321-R325 PolarHBondContact O-N 2.94Å
322D83.9Confident83.4Confident108 Ų10890 Ų9058%0.57843%0.431SS*.Hα-helixtrans-52.8-36.8-174.6-65.3-39.7000113.2R325 A326D322-R325 PolarHBondContact O-N 3.46Å; D322-R325 IonicContact OD1-CZ 3.92Å; D322-R325 IonicContact OD1-NH1 3.32Å; D322-R325 PolarHBondContact OD1-NH1 3.37Å; D322-R325 IonicContact OD1-NH2 3.36Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; D322-A326 WeakPolarHBondContact O-CB 3.41Å; D322-A326 PolarHBondContact O-N 3.2Å
323K85.4Confident83.8Confident154 Ų15486.4 Ų86.467%0.6741%0.411SS*.Hα-helixtrans-61.5-48176.7-174177.1178.6-179.50112.7P321 A326 E327P321-K323 PolarHBondContact O-N 3.1Å; K323-A326 PolarHBondContact O-N 2.9Å; K323-E327 WeakPolarHBondContact CE-OE1 3.38Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 3.2Å
324L88.6Confident84.2Confident82 Ų8283.7 Ų83.743%0.42940%0.399SS..Hα-helixtrans-69.7-36.5179.4-69.7-179.3000111.3L320 P321 A326 E327 I328L320-L324 HydrophobicContact CB-CB 4.39Å; P321-L324 HydrophobicContact CG-CD1 4.47Å; P321-L324 PolarHBondContact O-N 3.31Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.12Å; L324-E327 PolarHBondContact O-N 3.13Å; L324-I328 WeakPolarHBondContact O-CG1 3.45Å; L324-I328 PolarHBondContact O-N 3.34Å
325R84.8Confident84.6Confident86 Ų8682.8 Ų82.833%0.32540%0.403SS..Hα-helixtrans-60.2-43.7173.2-174.1174.771.2-142.8-5.1111.3L317 P321 D322 A329L317-R325 HydrophobicContact CB-CG 4.12Å; L317-R325 HydrophobicContact CD1-CG 4.45Å; P321-R325 PolarHBondContact O-N 2.94Å; D322-R325 PolarHBondContact O-N 3.46Å; D322-R325 IonicContact OD1-CZ 3.92Å; D322-R325 IonicContact OD1-NH1 3.32Å; D322-R325 PolarHBondContact OD1-NH1 3.37Å; D322-R325 IonicContact OD1-NH2 3.36Å; D322-R325 PolarHBondContact OD1-NH2 3.35Å; R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.33Å; R325-A329 PolarHBondContact O-N 3.3Å
326A82.6Confident84.6Confident17 Ų1779.1 Ų79.114%0.1439%0.388CS..Hα-helixtrans-63.4-46175.800000112.3D322 K323 L324 I328 A329 I330 L356D322-A326 WeakPolarHBondContact O-CB 3.41Å; D322-A326 PolarHBondContact O-N 3.2Å; K323-A326 PolarHBondContact O-N 2.9Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.12Å; A326-I328 PolarHBondContact O-N 3.26Å; A326-A329 PolarHBondContact O-N 2.92Å; A326-I330 WeakPolarHBondContact O-CB 3.21Å; A326-I330 WeakPolarHBondContact O-CD1 3.34Å; A326-I330 WeakPolarHBondContact O-CG1 3.4Å; A326-I330 PolarHBondContact O-N 3.19Å; A326-L356 HydrophobicContact CB-CD1 4.09Å; A326-L356 HydrophobicContact CB-CD2 4.02Å; A326-L356 HydrophobicContact CB-CG 4.43Å
327E86.8Confident84.7Confident100 Ų10075.4 Ų75.447%0.46737%0.365SS..Hα-helixtrans-58.5-45.9177.6-74.4176.2-161.800112.1K323 L324 I330 Q331K323-E327 WeakPolarHBondContact CE-OE1 3.38Å; K323-E327 WeakPolarHBondContact O-CG 3.46Å; K323-E327 PolarHBondContact O-N 3.2Å; L324-E327 PolarHBondContact O-N 3.13Å; E327-I330 PolarHBondContact O-N 3.32Å; E327-Q331 PolarHBondContact O-N 2.89Å
328I87.3Confident84.7Confident66 Ų6679.6 Ų79.634%0.33838%0.382SS..Hα-helixtrans-63.5-48.8176.3-67.1171.4000110.8L317 L320 L324 A326 I330 Q331 V332L317-I328 HydrophobicContact CD2-CD1 4.08Å; L317-I328 HydrophobicContact CD2-CG2 4.2Å; L320-I328 HydrophobicContact CD1-CD1 3.43Å; L320-I328 VanDerWaalsContact CD1-CD1 3.43Å; L324-I328 WeakPolarHBondContact O-CG1 3.45Å; L324-I328 PolarHBondContact O-N 3.34Å; A326-I328 PolarHBondContact O-N 3.26Å; I328-I330 VanDerWaalsContact C-N 3.29Å; I328-I330 PolarHBondContact O-N 2.68Å; I328-Q331 PolarHBondContact O-N 3.03Å; I328-Q331 VanDerWaalsContact O-N 3.1Å; I328-V332 HydrophobicContact CG2-CG2 4.15Å; I328-V332 VanDerWaalsContact O-CG2 3.3Å; I328-V332 WeakPolarHBondContact O-CG2 3.42Å; I328-V332 PolarHBondContact O-N 3.14Å
329A82.4Confident84.6Confident8 Ų879.2 Ų79.27%0.06639%0.385CS..Hα-helixtrans-60.2-41.9-178.200000111.3R325 A326 V332 H333 V355 L356R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.33Å; R325-A329 PolarHBondContact O-N 3.3Å; A326-A329 PolarHBondContact O-N 2.92Å; A329-V332 PolarHBondContact O-N 3.05Å; A329-H333 WeakPolarHBondContact O-CB 3.44Å; A329-H333 PolarHBondContact O-CD2 3.26Å; A329-H333 PolarHBondContact O-N 3.41Å; A329-V355 HydrophobicContact CB-CG1 3.51Å; A329-V355 WeakPolarHBondContact O-CG1 3.44Å; A329-L356 HydrophobicContact CB-CD2 4.06Å
330I84.6Confident84.4Confident47 Ų4770.6 Ų70.624%0.24135%0.351CS..Hα-helixtrans-58-51.8173.4-69.2162.4000109.6A326 E327 I328 V332 H333 M334 I352A326-I330 WeakPolarHBondContact O-CB 3.21Å; A326-I330 WeakPolarHBondContact O-CD1 3.34Å; A326-I330 WeakPolarHBondContact O-CG1 3.4Å; A326-I330 PolarHBondContact O-N 3.19Å; E327-I330 PolarHBondContact O-N 3.32Å; I328-I330 VanDerWaalsContact C-N 3.29Å; I328-I330 PolarHBondContact O-N 2.68Å; I330-V332 VanDerWaalsContact C-N 3.27Å; I330-V332 PolarHBondContact O-N 2.86Å; I330-H333 PolarHBondContact O-N 3.22Å; I330-M334 HydrophobicContact CG1-CE 4.33Å; I330-M334 HydrophobicContact CG2-CB 4.13Å; I330-M334 HydrophobicContact CG2-CE 3.85Å; I330-M334 HydrophobicContact CG2-CG 4.46Å; I330-M334 WeakPolarHBondContact O-CB 3.43Å; I330-M334 PolarHBondContact O-N 3.3Å; I330-I352 HydrophobicContact CD1-CB 4.36Å; I330-I352 HydrophobicContact CD1-CD1 4.2Å; I330-I352 HydrophobicContact CD1-CG1 3.76Å; I330-I352 HydrophobicContact CD1-CG2 3.85Å; I330-I352 HydrophobicContact CG1-CG1 4.04Å; I330-I352 HydrophobicContact CG1-CG2 4.29Å
331Q85.2Confident83.8Confident163 Ų16377.9 Ų77.976%0.76237%0.374SS*.Hα-helixtrans-63.5-32.3-176.5-167.5170.4-100113.2E327 I328E327-Q331 PolarHBondContact O-N 2.89Å; I328-Q331 PolarHBondContact O-N 3.03Å; I328-Q331 VanDerWaalsContact O-N 3.1Å
332V81.9Confident83.1Confident72 Ų7274.2 Ų74.244%0.43635%0.35SS..Hα-helixtrans-83.6-38.1-178.6178.60000112.5I328 A329 I330I328-V332 HydrophobicContact CG2-CG2 4.15Å; I328-V332 VanDerWaalsContact O-CG2 3.3Å; I328-V332 WeakPolarHBondContact O-CG2 3.42Å; I328-V332 PolarHBondContact O-N 3.14Å; A329-V332 PolarHBondContact O-N 3.05Å; I330-V332 VanDerWaalsContact C-N 3.27Å; I330-V332 PolarHBondContact O-N 2.86Å
333H82.4Confident82.8Confident15 Ų1569.1 Ų69.17%0.06932%0.323CS..Hα-helixtrans-110.5-19.8-168.1-56.1-52.6000114.8E313 A329 I330 D335 T336 L337 V355 F437E313-H333 IonicContact OE2-CE1 2.85Å; E313-H333 IonicContact OE2-NE2 2.77Å; A329-H333 WeakPolarHBondContact O-CB 3.44Å; A329-H333 PolarHBondContact O-CD2 3.26Å; A329-H333 PolarHBondContact O-N 3.41Å; I330-H333 PolarHBondContact O-N 3.22Å; H333-D335 VanDerWaalsContact C-N 3.31Å; H333-D335 PolarHBondContact O-N 3.41Å; H333-T336 WeakPolarHBondContact O-CB 3.39Å; H333-T336 PolarHBondContact O-N 3.42Å; H333-L337 PolarHBondContact O-N 2.88Å; H333-L337 VanDerWaalsContact O-N 3.12Å; H333-V355 HydrophobicContact CB-CG1 4.06Å; H333-V355 HydrophobicContact CB-CG2 4.16Å; H333-F437 AromaticContact CE1-CE1 3.5Å; H333-F437 AromaticContact CE1-CZ 3.53Å; H333-F437 AromaticContact ND1-CE1 3.49Å; H333-F437 WeakPolarHBondContact ND1-CE1 3.4Å; H333-F437 AromaticContact ND1-CE2 3.96Å; H333-F437 AromaticContact ND1-CZ 3.09Å; H333-F437 WeakPolarHBondContact ND1-CZ 3.46Å
334M83.4Confident82.4Confident19 Ų1964.4 Ų64.49%0.09431%0.312CS..Hα-helixtrans-59.5-39.5-174.2-176.263.568.600112.7I330 T336 L337 K338 L351 I352 V355I330-M334 HydrophobicContact CG1-CE 4.33Å; I330-M334 HydrophobicContact CG2-CB 4.13Å; I330-M334 HydrophobicContact CG2-CE 3.85Å; I330-M334 HydrophobicContact CG2-CG 4.46Å; I330-M334 WeakPolarHBondContact O-CB 3.43Å; I330-M334 PolarHBondContact O-N 3.3Å; M334-T336 PolarHBondContact O-N 2.96Å; M334-L337 PolarHBondContact O-N 3.41Å; M334-K338 HydrophobicContact CG-CD 4.05Å; M334-K338 HydrophobicContact CG-CG 4.27Å; M334-K338 WeakPolarHBondContact O-CB 3.36Å; M334-K338 WeakPolarHBondContact O-CG 3.37Å; M334-K338 PolarHBondContact O-N 3.07Å; M334-K338 HydrophobicContact SD-CD 4.4Å; M334-K338 HydrophobicContact SD-CG 4.15Å; M334-L351 HydrophobicContact CE-CB 3.89Å; M334-L351 HydrophobicContact SD-CB 3.87Å; M334-L351 HydrophobicContact SD-CD1 3.92Å; M334-I352 HydrophobicContact CE-CG1 4.02Å; M334-V355 HydrophobicContact CE-CG2 4.45Å
335D83.4Confident81.8Confident106 Ų10666.8 Ų66.857%0.56733%0.326SS*.Hα-helixtrans-64.3-29.1178.1-74.1-12.4000112.7H333 K339H333-D335 VanDerWaalsContact C-N 3.31Å; H333-D335 PolarHBondContact O-N 3.41Å; D335-K339 WeakPolarHBondContact O-CD 3.34Å; D335-K339 WeakPolarHBondContact O-CE 3.35Å; D335-K339 VanDerWaalsContact O-CG 3.26Å; D335-K339 WeakPolarHBondContact O-CG 3.02Å
336T81.7Confident81.7Confident22 Ų2263.5 Ų63.514%0.13532%0.316CS..Hα-helixtrans-76-46.9176.1-53.70000109.9H333 M334 K338 K339 V340 I381 K383 F437H333-T336 WeakPolarHBondContact O-CB 3.39Å; H333-T336 PolarHBondContact O-N 3.42Å; M334-T336 PolarHBondContact O-N 2.96Å; T336-K338 PolarHBondContact O-N 3.39Å; T336-K339 PolarHBondContact O-N 3.32Å; T336-V340 WeakPolarHBondContact O-CG2 3.3Å; T336-I381 HydrophobicContact CG2-CG2 4.43Å; T336-K383 HydrophobicContact CG2-CB 4.28Å; T336-K383 HydrophobicContact CG2-CG 4.23Å; T336-F437 HydrophobicContact CG2-CD2 4.28Å; T336-F437 HydrophobicContact CG2-CE2 4.09Å
337L83.2Confident81.8Confident1 Ų168.6 Ų68.61%0.00534%0.337CS..Hα-helixtrans-61.8-43178.2-97.6108.9000113.1H333 M334 K339 V340 F343 L351 L354 V355 L358H333-L337 PolarHBondContact O-N 2.88Å; H333-L337 VanDerWaalsContact O-N 3.12Å; M334-L337 PolarHBondContact O-N 3.41Å; L337-K339 PolarHBondContact O-N 2.7Å; L337-V340 VanDerWaalsContact O-CB 3.28Å; L337-V340 WeakPolarHBondContact O-CB 3.44Å; L337-V340 PolarHBondContact O-N 3.22Å; L337-F343 HydrophobicContact CD2-CD2 4.17Å; L337-F343 HydrophobicContact CD2-CG 4.36Å; L337-L351 HydrophobicContact CD2-CD2 3.84Å; L337-L354 HydrophobicContact CD2-CB 4.14Å; L337-L354 HydrophobicContact CD2-CD1 4.35Å; L337-V355 HydrophobicContact CD1-CG2 3.44Å; L337-V355 VanDerWaalsContact CD1-CG2 3.44Å; L337-L358 HydrophobicContact CD1-CD1 3.39Å; L337-L358 HydrophobicContact CD1-CG 4.46Å; L337-L358 HydrophobicContact CG-CD1 4.48Å
338K83Confident81.6Confident124 Ų12467.1 Ų67.154%0.53934%0.341SS..Hα-helixtrans-61.5-28179-77.4-177.9175.1179.50113.2M334 T336 V340 L351M334-K338 HydrophobicContact CG-CD 4.05Å; M334-K338 HydrophobicContact CG-CG 4.27Å; M334-K338 WeakPolarHBondContact O-CB 3.36Å; M334-K338 WeakPolarHBondContact O-CG 3.37Å; M334-K338 PolarHBondContact O-N 3.07Å; M334-K338 HydrophobicContact SD-CD 4.4Å; M334-K338 HydrophobicContact SD-CG 4.15Å; T336-K338 PolarHBondContact O-N 3.39Å; K338-V340 VanDerWaalsContact C-N 3.28Å; K338-L351 HydrophobicContact CG-CD1 4.37Å
339K82Confident81.5Confident152 Ų15265.3 Ų65.366%0.66134%0.339SS*.Hα-helixtrans-74.5-20.8175-70.1171-171.3177.30112.4D335 T336 L337 R341D335-K339 WeakPolarHBondContact O-CD 3.34Å; D335-K339 WeakPolarHBondContact O-CE 3.35Å; D335-K339 VanDerWaalsContact O-CG 3.26Å; D335-K339 WeakPolarHBondContact O-CG 3.02Å; T336-K339 PolarHBondContact O-N 3.32Å; L337-K339 PolarHBondContact O-N 2.7Å; K339-R341 PolarHBondContact O-N 3.42Å
340V81.7Confident81.7Confident0 Ų065 Ų650%034%0.336CS..SBendtrans-74.4113.2178.9-168.30000108.7T336 L337 K338 I342 F343 A344 I381 Y406T336-V340 WeakPolarHBondContact O-CG2 3.3Å; L337-V340 VanDerWaalsContact O-CB 3.28Å; L337-V340 WeakPolarHBondContact O-CB 3.44Å; L337-V340 PolarHBondContact O-N 3.22Å; K338-V340 VanDerWaalsContact C-N 3.28Å; V340-I342 HydrophobicContact CG1-CG2 3.79Å; V340-I342 PolarHBondContact O-N 3.27Å; V340-F343 HydrophobicContact CB-CB 4.5Å; V340-F343 HydrophobicContact CB-CD2 4.01Å; V340-F343 HydrophobicContact CG1-CD2 3.93Å; V340-F343 HydrophobicContact CG1-CE2 4.47Å; V340-F343 PolarHBondContact O-N 2.78Å; V340-A344 PolarHBondContact O-N 2.74Å; V340-I381 HydrophobicContact CG2-CG2 3.49Å; V340-I381 VanDerWaalsContact CG2-CG2 3.49Å; V340-Y406 HydrophobicContact CG1-CD1 3.27Å; V340-Y406 HydrophobicContact CG1-CE1 3.98Å; V340-Y406 HydrophobicContact CG1-CG 3.88Å
341R74.9Confident81.8Confident209 Ų20963.1 Ų63.179%0.78933%0.326SS*.THydrogen-bonded Turntrans-53.4-25.8-175-69.5-174.6177.6-173.4-1.2115.3K339K339-R341 PolarHBondContact O-N 3.42Å
342I75.2Confident81.7Confident8 Ų858.4 Ų58.44%0.04131%0.306CS..THydrogen-bonded Turntrans-79.8-23.3-180-159.2162.2000113.2V340 C346 Y406 L458 K461V340-I342 HydrophobicContact CG1-CG2 3.79Å; V340-I342 PolarHBondContact O-N 3.27Å; I342-C346 PolarHBondContact O-SG 3.38Å; I342-Y406 HydrophobicContact CB-CE1 3.83Å; I342-Y406 HydrophobicContact CB-CE2 4.38Å; I342-Y406 HydrophobicContact CD1-CE2 3.85Å; I342-Y406 WeakPolarHBondContact CD1-OH 3.23Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CE1 3.88Å; I342-Y406 HydrophobicContact CG2-CE2 4.23Å; I342-Y406 HydrophobicContact CG2-CG 4.5Å; I342-L458 HydrophobicContact CD1-CB 4.45Å; I342-L458 HydrophobicContact CD1-CD2 3.22Å; I342-L458 HydrophobicContact CD1-CG 3.6Å; I342-L458 HydrophobicContact CG1-CD2 4.06Å; I342-L458 HydrophobicContact CG1-CG 3.99Å; I342-K461 HydrophobicContact CD1-CD 4.11Å; I342-K461 HydrophobicContact CG1-CD 4.33Å
343F78.3Confident81.9Confident1 Ų157.3 Ų57.30%0.00430%0.296CS..THydrogen-bonded Turntrans-107.4-5-178.4-64-51.4000112.3L337 V340 D345 C346 L351 L354 M379 I381 L458L337-F343 HydrophobicContact CD2-CD2 4.17Å; L337-F343 HydrophobicContact CD2-CG 4.36Å; V340-F343 HydrophobicContact CB-CB 4.5Å; V340-F343 HydrophobicContact CB-CD2 4.01Å; V340-F343 HydrophobicContact CG1-CD2 3.93Å; V340-F343 HydrophobicContact CG1-CE2 4.47Å; V340-F343 PolarHBondContact O-N 2.78Å; F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 2.95Å; F343-C346 PolarHBondContact O-N 3.5Å; F343-L351 HydrophobicContact CB-CD2 3.71Å; F343-L351 HydrophobicContact CG-CD2 4.38Å; F343-L354 HydrophobicContact CD1-CD1 3.99Å; F343-L354 HydrophobicContact CE1-CD1 3.62Å; F343-L354 HydrophobicContact CZ-CD1 4.02Å; F343-M379 HydrophobicContact CE2-CE 4Å; F343-M379 HydrophobicContact CZ-CE 4Å; F343-M379 HydrophobicContact CZ-SD 4.49Å; F343-I381 HydrophobicContact CD2-CD1 4.47Å; F343-I381 HydrophobicContact CE2-CD1 3.98Å; F343-L458 HydrophobicContact CE1-CD1 4.31Å
344A76.4Confident82.1Confident54 Ų5456.7 Ų56.745%0.44629%0.293SS..THydrogen-bonded Turntrans-63.2-37.9179.300000112.5V340V340-A344 PolarHBondContact O-N 2.74Å
345D77.6Confident82.2Confident133 Ų13355.9 Ų55.971%0.71129%0.289SS*.THydrogen-bonded Turntrans-97.29.3-178.8-58.7-41.2000112.7F343 M457F343-D345 VanDerWaalsContact C-N 3.32Å; F343-D345 PolarHBondContact O-N 2.95Å; D345-M457 HydrophobicContact CB-CE 4.07Å
346C81.9Confident82.1Confident17 Ų1754.3 Ų54.312%0.11528%0.281CS..SBendtrans-85.1152.7177.6-69.10000112.1I342 F343 L350 L351I342-C346 PolarHBondContact O-SG 3.38Å; F343-C346 PolarHBondContact O-N 3.5Å; C346-L350 HydrophobicContact CB-CD2 4.01Å; C346-L351 HydrophobicContact CB-CD2 4.33Å
347E84.9Confident82.3Confident124 Ų12455.1 Ų55.158%0.57928%0.282SS*.  trans-59.4144.4173.2-62.2-17517200112G349 L350 L351 Y451E347-G349 PolarHBondContact O-N 3.33Å; E347-L350 PolarHBondContact O-N 3.49Å; E347-L351 PolarHBondContact O-N 2.86Å; E347-Y451 HydrophobicContact CB-CD1 4.39Å; E347-Y451 HydrophobicContact CB-CE1 4.34Å; E347-Y451 WeakPolarHBondContact OE2-CD1 3.45Å; E347-Y451 WeakPolarHBondContact OE2-CE1 3.3Å
348A82.9Confident82.5Confident68 Ų6855.6 Ų55.656%0.56228%0.284SS*.Hα-helixtrans-60.2-30.1-178.900000112.9L351 I352A348-L351 PolarHBondContact O-N 3.4Å; A348-I352 VanDerWaalsContact O-CG1 3.28Å; A348-I352 WeakPolarHBondContact O-CG1 3.48Å; A348-I352 PolarHBondContact O-N 2.97Å; A348-I352 VanDerWaalsContact O-N 3.08Å
349G84.9Confident82.7Confident28 Ų2853.1 Ų53.129%0.28927%0.272SS..Hα-helixtrans-59.6-46.1176.600000112.6E347 L351 I352 Q353 Y451E347-G349 PolarHBondContact O-N 3.33Å; G349-L351 PolarHBondContact O-N 3.25Å; G349-I352 PolarHBondContact O-N 3.01Å; G349-Q353 PolarHBondContact O-N 3.35Å; G349-Y451 VanDerWaalsContact C-OH 3.23Å; G349-Y451 WeakPolarHBondContact CA-OH 3.09Å
350L86.4Confident83Confident1 Ų149 Ų491%0.00526%0.261CS..Hα-helixtrans-61.2-45.2175.8177.563000111.2C346 E347 I352 Q353 L354 L448 Y451 A454C346-L350 HydrophobicContact CB-CD2 4.01Å; E347-L350 PolarHBondContact O-N 3.49Å; L350-I352 VanDerWaalsContact C-N 3.29Å; L350-I352 PolarHBondContact O-N 3.5Å; L350-Q353 PolarHBondContact O-N 3.08Å; L350-L354 HydrophobicContact CD1-CD1 3.98Å; L350-L354 HydrophobicContact CD1-CD2 4.35Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CD2-CD1 4.37Å; L350-L354 HydrophobicContact CG-CD1 3.82Å; L350-L354 HydrophobicContact CG-CG 4.18Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.34Å; L350-L354 PolarHBondContact O-N 3.41Å; L350-L448 HydrophobicContact CD2-CD2 4.5Å; L350-Y451 HydrophobicContact CB-CD1 4.03Å; L350-Y451 HydrophobicContact CB-CD2 3.82Å; L350-Y451 HydrophobicContact CB-CE1 4.18Å; L350-Y451 HydrophobicContact CB-CE2 4.02Å; L350-Y451 HydrophobicContact CB-CG 3.85Å; L350-Y451 HydrophobicContact CD1-CD2 3.66Å; L350-Y451 HydrophobicContact CD1-CE2 4.24Å; L350-Y451 HydrophobicContact CD1-CG 4.17Å; L350-Y451 HydrophobicContact CG-CD2 4.26Å; L350-Y451 HydrophobicContact CG-CG 4.4Å; L350-Y451 PolarHBondContact N-OH 3.37Å; L350-A454 HydrophobicContact CD2-CB 3.4Å
351L86.1Confident83.4Confident8 Ų851.6 Ų51.64%0.04227%0.273CS..Hα-helixtrans-59.8-40.9-179.6-59.6-178.9000111.8M334 L337 K338 F343 C346 E347 A348 G349 L354 V355M334-L351 HydrophobicContact CE-CB 3.89Å; M334-L351 HydrophobicContact SD-CB 3.87Å; M334-L351 HydrophobicContact SD-CD1 3.92Å; L337-L351 HydrophobicContact CD2-CD2 3.84Å; K338-L351 HydrophobicContact CG-CD1 4.37Å; F343-L351 HydrophobicContact CB-CD2 3.71Å; F343-L351 HydrophobicContact CG-CD2 4.38Å; C346-L351 HydrophobicContact CB-CD2 4.33Å; E347-L351 PolarHBondContact O-N 2.86Å; A348-L351 PolarHBondContact O-N 3.4Å; G349-L351 PolarHBondContact O-N 3.25Å; L351-L354 PolarHBondContact O-N 3.07Å; L351-V355 WeakPolarHBondContact O-CB 3.41Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 2.92Å
352I83.4Confident84.2Confident64 Ų6443 Ų4333%0.32824%0.244SC..Hα-helixtrans-63-45.2177.7-68165.8000111I330 M334 A348 G349 L350 L356I330-I352 HydrophobicContact CD1-CB 4.36Å; I330-I352 HydrophobicContact CD1-CD1 4.2Å; I330-I352 HydrophobicContact CD1-CG1 3.76Å; I330-I352 HydrophobicContact CD1-CG2 3.85Å; I330-I352 HydrophobicContact CG1-CG1 4.04Å; I330-I352 HydrophobicContact CG1-CG2 4.29Å; M334-I352 HydrophobicContact CE-CG1 4.02Å; A348-I352 VanDerWaalsContact O-CG1 3.28Å; A348-I352 WeakPolarHBondContact O-CG1 3.48Å; A348-I352 PolarHBondContact O-N 2.97Å; A348-I352 VanDerWaalsContact O-N 3.08Å; G349-I352 PolarHBondContact O-N 3.01Å; L350-I352 VanDerWaalsContact C-N 3.29Å; L350-I352 PolarHBondContact O-N 3.5Å; I352-L356 PolarHBondContact O-N 2.94Å
353Q85.1Confident85Confident50 Ų5044.1 Ų44.123%0.23425%0.248CC..Hα-helixtrans-64.8-42.3177.6-72.1-173.5-0.200112.3G349 L350 L356 E450G349-Q353 PolarHBondContact O-N 3.35Å; L350-Q353 PolarHBondContact O-N 3.08Å; Q353-L356 PolarHBondContact O-N 3.06Å; Q353-E450 PolarHBondContact NE2-OE2 3.02Å
354L86.9Confident85.7Confident1 Ų144.5 Ų44.51%0.00525%0.251CS..Hα-helixtrans-65.1-42.6179.3-68.4178.3000111.9L337 F343 L350 L351 L356 K357 L358 L439 L444L337-L354 HydrophobicContact CD2-CB 4.14Å; L337-L354 HydrophobicContact CD2-CD1 4.35Å; F343-L354 HydrophobicContact CD1-CD1 3.99Å; F343-L354 HydrophobicContact CE1-CD1 3.62Å; F343-L354 HydrophobicContact CZ-CD1 4.02Å; L350-L354 HydrophobicContact CD1-CD1 3.98Å; L350-L354 HydrophobicContact CD1-CD2 4.35Å; L350-L354 HydrophobicContact CD1-CG 3.94Å; L350-L354 HydrophobicContact CD2-CD1 4.37Å; L350-L354 HydrophobicContact CG-CD1 3.82Å; L350-L354 HydrophobicContact CG-CG 4.18Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.34Å; L350-L354 PolarHBondContact O-N 3.41Å; L351-L354 PolarHBondContact O-N 3.07Å; L354-L356 VanDerWaalsContact C-N 3.25Å; L354-L356 PolarHBondContact O-N 2.97Å; L354-K357 PolarHBondContact O-N 3.25Å; L354-L358 WeakPolarHBondContact O-CG 3.34Å; L354-L358 PolarHBondContact O-N 3.45Å; L354-L358 VanDerWaalsContact O-N 3.14Å; L354-L439 HydrophobicContact CD2-CD1 4.48Å; L354-L439 HydrophobicContact CD2-CD2 3.79Å; L354-L444 HydrophobicContact CD2-CD1 3.84Å
355V85.8Confident86.5Confident3 Ų344.8 Ų44.82%0.01825%0.248CC..Hα-helixtrans-53.7-42178159.70000112.1A329 H333 M334 L337 L351 K357 L358A329-V355 HydrophobicContact CB-CG1 3.51Å; A329-V355 WeakPolarHBondContact O-CG1 3.44Å; H333-V355 HydrophobicContact CB-CG1 4.06Å; H333-V355 HydrophobicContact CB-CG2 4.16Å; M334-V355 HydrophobicContact CE-CG2 4.45Å; L337-V355 HydrophobicContact CD1-CG2 3.44Å; L337-V355 VanDerWaalsContact CD1-CG2 3.44Å; L351-V355 WeakPolarHBondContact O-CB 3.41Å; L351-V355 WeakPolarHBondContact O-CG2 3.43Å; L351-V355 PolarHBondContact O-N 2.92Å; V355-K357 VanDerWaalsContact C-N 3.25Å; V355-K357 PolarHBondContact O-N 2.89Å; V355-L358 PolarHBondContact O-N 3.02Å
356L82.1Confident87.1Confident73 Ų7340.4 Ų40.438%0.38224%0.235SC..Hα-helixtrans-67.6-24.7179.3-75.4173.6000113.5A326 A329 I352 Q353 L354A326-L356 HydrophobicContact CB-CD1 4.09Å; A326-L356 HydrophobicContact CB-CD2 4.02Å; A326-L356 HydrophobicContact CB-CG 4.43Å; A329-L356 HydrophobicContact CB-CD2 4.06Å; I352-L356 PolarHBondContact O-N 2.94Å; Q353-L356 PolarHBondContact O-N 3.06Å; L354-L356 VanDerWaalsContact C-N 3.25Å; L354-L356 PolarHBondContact O-N 2.97Å
357K86.8Confident87.6Confident38 Ų3840.7 Ų40.717%0.16524%0.235CC..Hα-helixtrans-95.6-12.2-177.8-59.6-172.5-168.3-179.70113.3L354 V355 L439 D443 E446 S447L354-K357 PolarHBondContact O-N 3.25Å; V355-K357 VanDerWaalsContact C-N 3.25Å; V355-K357 PolarHBondContact O-N 2.89Å; K357-L439 HydrophobicContact CB-CD1 3.87Å; K357-D443 HydrophobicContact CB-CB 4.09Å; K357-D443 HydrophobicContact CD-CB 3.58Å; K357-D443 HydrophobicContact CG-CB 4.39Å; K357-D443 PolarHBondContact NZ-O 2.94Å; K357-E446 IonicContact NZ-OE2 2.69Å; K357-E446 PolarHBondContact NZ-OE2 3.32Å; K357-S447 PolarHBondContact NZ-OG 2.86Å; K357-S447 VanDerWaalsContact NZ-OG 3.11Å
358L86.7Confident88Confident11 Ų1139 Ų396%0.05822%0.224CC..  trans-61.4141.5178.3-69-173.8000112.3L337 L354 V355 I381 F437 L439L337-L358 HydrophobicContact CD1-CD1 3.39Å; L337-L358 HydrophobicContact CD1-CG 4.46Å; L337-L358 HydrophobicContact CG-CD1 4.48Å; L354-L358 WeakPolarHBondContact O-CG 3.34Å; L354-L358 PolarHBondContact O-N 3.45Å; L354-L358 VanDerWaalsContact O-N 3.14Å; V355-L358 PolarHBondContact O-N 3.02Å; L358-I381 HydrophobicContact CD2-CD1 4.22Å; L358-F437 HydrophobicContact CB-CB 4.32Å; L358-F437 HydrophobicContact CB-CD1 4.1Å; L358-F437 HydrophobicContact CB-CG 4.41Å; L358-F437 HydrophobicContact CD1-CB 3.97Å; L358-F437 HydrophobicContact CD1-CD1 4.23Å; L358-F437 HydrophobicContact CD1-CD2 4.21Å; L358-F437 HydrophobicContact CD1-CG 3.9Å; L358-F437 HydrophobicContact CD2-CB 4.04Å; L358-F437 HydrophobicContact CG-CB 4.33Å; L358-L439 HydrophobicContact CD2-CB 4.03Å; L358-L439 HydrophobicContact CD2-CD1 4.34Å
359R87.3Confident88.5Confident73 Ų7336.6 Ų36.628%0.27520%0.201SC..EExtended strand (participates in β ladder)trans-120.2117.8174.1-70.9-176.6-67.5168.69.4110.3E378 F437 C438R359-E378 IonicContact CZ-OE1 2.9Å; R359-E378 IonicContact NH2-OE1 2.68Å; R359-E378 PolarHBondContact NH2-OE1 3.48Å; R359-F437 WeakPolarHBondContact O-CA 3.48Å; R359-C438 HydrophobicContact CB-CB 4.34Å; R359-C438 PolarHBondContact N-O 2.93Å; R359-C438 PolarHBondContact O-N 2.98Å
360P87.4Confident88.8Confident65 Ų6535.7 Ų35.742%0.42219%0.191SC..EExtended strand (participates in β ladder)trans-65.7135.5172.926.8-32.1000110.4L436 F437P360-L436 CarbonylContact C-O 3.54Å; P360-F437 HydrophobicContact CB-CD1 4.32Å; P360-F437 HydrophobicContact CB-CE1 4.13Å
361Q89.9Confident89Confident55 Ų5540.8 Ų40.826%0.25721%0.213SC..EExtended strand (participates in β ladder)trans-137.4139.4174.2-68.5-170.91300109.9F363 L436 C438Q361-F363 HydrophobicContact CB-CE2 3.9Å; Q361-F363 HydrophobicContact CB-CZ 4.5Å; Q361-L436 PolarHBondContact N-O 3.37Å; Q361-L436 PolarHBondContact O-N 2.94Å; Q361-C438 HydrophobicContact CG-CB 4.1Å
362V92.1Very high89.2Confident29 Ų2945.7 Ų45.718%0.17623%0.234CC..EExtended strand (participates in β ladder)trans-115.8126-177.7-178.80000109.7W300 Y303 L304 K309 S434W300-V362 PolarHBondContact NE1-O 3.18Å; Y303-V362 HydrophobicContact CD1-CG1 3.91Å; Y303-V362 HydrophobicContact CE1-CG1 3.58Å; L304-V362 HydrophobicContact CD2-CB 4.03Å; L304-V362 HydrophobicContact CD2-CG1 4.21Å; L304-V362 HydrophobicContact CD2-CG2 3.83Å; K309-V362 HydrophobicContact CD-CG2 3.87Å; V362-S434 WeakPolarHBondContact CA-O 3.36Å
363F93.1Very high89.3Confident30 Ų3044 Ų4413%0.13223%0.232CC..EExtended strand (participates in β ladder)trans-110.6143177.7-67.7-88.2000111.2Q361 D367 I369 Y380 Y433 S434 L436Q361-F363 HydrophobicContact CB-CE2 3.9Å; Q361-F363 HydrophobicContact CB-CZ 4.5Å; F363-D367 HydrophobicContact CB-CB 4.39Å; F363-D367 HydrophobicContact CD1-CB 4.36Å; F363-I369 HydrophobicContact CB-CG1 4.38Å; F363-I369 HydrophobicContact CD1-CG1 3.71Å; F363-I369 HydrophobicContact CD2-CG1 4Å; F363-I369 HydrophobicContact CE1-CB 4.27Å; F363-I369 HydrophobicContact CE1-CG1 3.92Å; F363-I369 HydrophobicContact CE1-CG2 4.04Å; F363-I369 HydrophobicContact CE2-CG1 4.22Å; F363-I369 HydrophobicContact CE2-CG2 4.14Å; F363-I369 HydrophobicContact CG-CG1 3.74Å; F363-I369 HydrophobicContact CZ-CB 4.43Å; F363-I369 HydrophobicContact CZ-CG1 4.16Å; F363-I369 HydrophobicContact CZ-CG2 3.74Å; F363-Y380 HydrophobicContact CZ-CE1 4.48Å; F363-Y433 WeakPolarHBondContact O-CA 3.39Å; F363-S434 PolarHBondContact N-O 3.42Å; F363-S434 PolarHBondContact O-N 3.17Å; F363-L436 HydrophobicContact CD2-CB 4.45Å; F363-L436 HydrophobicContact CD2-CD1 3.56Å; F363-L436 HydrophobicContact CD2-CG 3.94Å; F363-L436 HydrophobicContact CE2-CB 4.3Å; F363-L436 HydrophobicContact CE2-CD1 3.58Å; F363-L436 HydrophobicContact CE2-CG 4.16Å
364S92.6Very high89.5Confident9 Ų945.4 Ų45.46%0.06324%0.241CC..  trans-84.8160.4178.9-46.50000111.7G366 D367 S430 G432S364-G366 PolarHBondContact O-N 3.15Å; S364-D367 WeakPolarHBondContact CA-OD2 3.41Å; S364-D367 VanDerWaalsContact CB-OD2 3.22Å; S364-D367 WeakPolarHBondContact CB-OD2 3.46Å; S364-D367 PolarHBondContact N-OD2 3.13Å; S364-D367 VanDerWaalsContact O-CB 3.26Å; S364-D367 WeakPolarHBondContact O-CB 3.49Å; S364-D367 VanDerWaalsContact O-CG 3.26Å; S364-D367 PolarHBondContact O-N 3.24Å; S364-D367 VanDerWaalsContact O-N 3.09Å; S364-D367 PolarHBondContact OG-OD2 2.91Å; S364-S430 WeakPolarHBondContact O-CB 3.35Å; S364-G432 CarbonylContact C-O 3.59Å
365P93.4Very high89.5Confident61 Ų6149.9 Ų49.940%0.39626%0.264SS..THydrogen-bonded Turntrans-54.8129.8171.9-21.529.7000112D367 G432 Y433P365-D367 VanDerWaalsContact C-N 3.31Å; P365-G432 WeakPolarHBondContact CA-O 3.38Å; P365-Y433 HydrophobicContact CG-CD2 4Å; P365-Y433 HydrophobicContact CG-CE2 4.04Å; P365-Y433 HydrophobicContact CG-CG 4.39Å
366G90.1Very high89.5Confident41 Ų4149.8 Ų49.842%0.42326%0.263SS..THydrogen-bonded Turntrans85.7-6.8-179.100000115.1S364 R429 S430S364-G366 PolarHBondContact O-N 3.15Å; G366-R429 WeakPolarHBondContact O-CD 3.17Å; G366-R429 WeakPolarHBondContact O-CG 3.27Å; G366-S430 WeakPolarHBondContact CA-O 3.42Å; G366-S430 PolarHBondContact N-O 3.28Å
367D92.3Very high89.7Confident23 Ų2354.7 Ų54.712%0.12328%0.277CS..  trans-68.1133178.4-68.50.3000110.8R296 F363 S364 P365 R429 S430R296-D367 IonicContact CZ-OD1 3.73Å; R296-D367 IonicContact NE-OD1 2.78Å; R296-D367 IonicContact NH2-OD1 3.4Å; R296-D367 PolarHBondContact NH2-OD1 3.31Å; R296-D367 IonicContact NH2-OD2 2.68Å; F363-D367 HydrophobicContact CB-CB 4.39Å; F363-D367 HydrophobicContact CD1-CB 4.36Å; S364-D367 WeakPolarHBondContact CA-OD2 3.41Å; S364-D367 VanDerWaalsContact CB-OD2 3.22Å; S364-D367 WeakPolarHBondContact CB-OD2 3.46Å; S364-D367 PolarHBondContact N-OD2 3.13Å; S364-D367 VanDerWaalsContact O-CB 3.26Å; S364-D367 WeakPolarHBondContact O-CB 3.49Å; S364-D367 VanDerWaalsContact O-CG 3.26Å; S364-D367 PolarHBondContact O-N 3.24Å; S364-D367 VanDerWaalsContact O-N 3.09Å; S364-D367 PolarHBondContact OG-OD2 2.91Å; P365-D367 VanDerWaalsContact C-N 3.31Å; D367-R429 CarbonylContact O-C 3.53Å; D367-R429 VanDerWaalsContact O-CA 3.29Å; D367-R429 WeakPolarHBondContact O-CA 3.42Å; D367-R429 WeakPolarHBondContact O-CG 3.41Å; D367-S430 PolarHBondContact O-N 3.12Å
368Y92.8Very high89.9Confident87 Ų8754.9 Ų54.934%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-83.1117.6168.1-76.3-93.2000108.8K371 V390 N427 I428 R429Y368-K371 HydrophobicContact CD1-CG 4.18Å; Y368-K371 HydrophobicContact CG-CG 4.38Å; Y368-V390 HydrophobicContact CE1-CG2 3.64Å; Y368-N427 HydrophobicContact CD1-CB 4.37Å; Y368-N427 HydrophobicContact CE1-CB 4.14Å; Y368-I428 CarbonylContact C-O 3.54Å; Y368-I428 WeakPolarHBondContact CA-O 3.26Å; Y368-R429 HydrophobicContact CD1-CB 4.25Å; Y368-R429 HydrophobicContact CE1-CB 4.23Å; Y368-R429 HydrophobicContact CE2-CG 4.48Å
369I93.5Very high90Very high19 Ų1954.3 Ų54.310%0.09728%0.275CS..EExtended strand (participates in β ladder)trans-76.8-40176-5889.4000109.7F363 Y380 L387 F407 I428 L436F363-I369 HydrophobicContact CB-CG1 4.38Å; F363-I369 HydrophobicContact CD1-CG1 3.71Å; F363-I369 HydrophobicContact CD2-CG1 4Å; F363-I369 HydrophobicContact CE1-CB 4.27Å; F363-I369 HydrophobicContact CE1-CG1 3.92Å; F363-I369 HydrophobicContact CE1-CG2 4.04Å; F363-I369 HydrophobicContact CE2-CG1 4.22Å; F363-I369 HydrophobicContact CE2-CG2 4.14Å; F363-I369 HydrophobicContact CG-CG1 3.74Å; F363-I369 HydrophobicContact CZ-CB 4.43Å; F363-I369 HydrophobicContact CZ-CG1 4.16Å; F363-I369 HydrophobicContact CZ-CG2 3.74Å; I369-Y380 HydrophobicContact CG2-CD2 4.01Å; I369-Y380 HydrophobicContact CG2-CE1 4.4Å; I369-Y380 HydrophobicContact CG2-CE2 3.8Å; I369-Y380 HydrophobicContact CG2-CG 4.37Å; I369-L387 HydrophobicContact CD1-CD1 4.41Å; I369-L387 HydrophobicContact CD1-CD2 3.73Å; I369-F407 HydrophobicContact CB-CE2 4.48Å; I369-F407 HydrophobicContact CB-CZ 4.23Å; I369-F407 HydrophobicContact CG2-CE2 4.01Å; I369-F407 HydrophobicContact CG2-CZ 3.78Å; I369-I428 HydrophobicContact CD1-CG2 4.22Å; I369-I428 PolarHBondContact N-O 3.26Å; I369-L436 HydrophobicContact CG1-CD1 4.04Å; I369-L436 HydrophobicContact CG2-CD1 4.16Å
370C91.4Very high90.3Very high9 Ų951.7 Ų51.76%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-147.6148.9169.963.60000110.8R424 N427 I428C370-R424 HydrophobicContact CB-CG 3.99Å; C370-N427 WeakPolarHBondContact O-CA 3.4Å; C370-I428 PolarHBondContact O-N 3.38Å
371K91.3Very high90.5Very high108 Ų10848.7 Ų48.747%0.4725%0.246SC..  trans-108.4150170.1-61-179.7178.3-179.50110.4Y368 G373 D374 R424 N427Y368-K371 HydrophobicContact CD1-CG 4.18Å; Y368-K371 HydrophobicContact CG-CG 4.38Å; K371-G373 PolarHBondContact O-N 3.05Å; K371-D374 WeakPolarHBondContact CB-OD2 3.41Å; K371-D374 PolarHBondContact N-OD2 3.32Å; K371-D374 VanDerWaalsContact N-OD2 3.08Å; K371-D374 WeakPolarHBondContact O-CB 3.41Å; K371-D374 PolarHBondContact O-N 3.24Å; K371-D374 VanDerWaalsContact O-N 3.11Å; K371-R424 VanDerWaalsContact O-CB 3.24Å; K371-R424 WeakPolarHBondContact O-CB 3.31Å; K371-N427 WeakPolarHBondContact CA-OD1 3.43Å
372K88.7Confident90.6Very high110 Ų11046.1 Ų46.148%0.47823%0.234SC..THydrogen-bonded Turntrans-56.9130.6174.1-179.2179.5174-1730109.2D392 R424 N427K372-D392 WeakPolarHBondContact CD-OD1 3.44Å; K372-D392 IonicContact NZ-OD1 2.67Å; K372-D392 IonicContact NZ-OD2 3.2Å; K372-D392 PolarHBondContact NZ-OD2 3.36Å; K372-R424 WeakPolarHBondContact CA-O 3.17Å; K372-N427 PolarHBondContact N-OD1 3.35Å
373G86.2Confident90.4Very high28 Ų2848.6 Ų48.629%0.28924%0.242SC..THydrogen-bonded Turntrans91.3-15.4-177.200000115.2K371 R423 R424K371-G373 PolarHBondContact O-N 3.05Å; G373-R423 WeakPolarHBondContact O-CD 3.38Å; G373-R423 PolarHBondContact O-NH1 3.49Å; G373-R424 PolarHBondContact N-O 2.94Å
374D88.7Confident90.2Very high81 Ų8151.3 Ų51.343%0.43326%0.258SS..SBendtrans-63.7155.6174.6-71.6-19.6000111.1K371 G376 R423 R424K371-D374 WeakPolarHBondContact CB-OD2 3.41Å; K371-D374 PolarHBondContact N-OD2 3.32Å; K371-D374 VanDerWaalsContact N-OD2 3.08Å; K371-D374 WeakPolarHBondContact O-CB 3.41Å; K371-D374 PolarHBondContact O-N 3.24Å; K371-D374 VanDerWaalsContact O-N 3.11Å; D374-G376 PolarHBondContact O-N 3.27Å; D374-R423 CarbonylContact O-C 3.47Å; D374-R423 WeakPolarHBondContact O-CA 3.35Å; D374-R424 HydrophobicContact CB-CG 4.09Å; D374-R424 WeakPolarHBondContact O-CG 3.42Å; D374-R424 PolarHBondContact O-N 3.24Å
375I87.4Confident90.2Very high95 Ų9551.6 Ų51.649%0.48726%0.262SS..BIsolated β-bridgetrans-76.5121.3176.5-58.6172.5000109R377 N422I375-R377 HydrophobicContact CG2-CG 4.17Å; I375-R377 PolarHBondContact O-N 3.49Å; I375-N422 WeakPolarHBondContact CA-O 3.27Å
376G84.9Confident90.3Very high0 Ų055 Ų550%027%0.271CS..  trans-91.594-17600000113.5D374 N422 R424D374-G376 PolarHBondContact O-N 3.27Å; G376-N422 PolarHBondContact N-O 3.18Å; G376-N422 PolarHBondContact O-OD1 2.96Å; G376-R424 VanDerWaalsContact CA-CZ 3.43Å
377R87.6Confident90.5Very high176 Ų17653 Ų5366%0.66425%0.251SS*.  trans-92.9-8.3-179.8-61.2-175.8-179.6-177.4-1.2115I375 K441I375-R377 HydrophobicContact CG2-CG 4.17Å; I375-R377 PolarHBondContact O-N 3.49Å; R377-K441 WeakPolarHBondContact O-CB 3.26Å; R377-K441 PolarHBondContact O-N 2.94Å
378E90.4Very high90.6Very high42 Ų4252 Ų5220%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-140.3153.7-168.6-57.3-176.7149.600109.6R359 Y380 R424 C438 L439R359-E378 IonicContact CZ-OE1 2.9Å; R359-E378 IonicContact NH2-OE1 2.68Å; R359-E378 PolarHBondContact NH2-OE1 3.48Å; E378-Y380 HydrophobicContact CB-CE2 4.36Å; E378-Y380 PolarHBondContact OE2-OH 3.41Å; E378-R424 PolarHBondContact O-NH1 3.34Å; E378-R424 PolarHBondContact O-NH2 3.43Å; E378-C438 PolarHBondContact OE1-SG 2.94Å; E378-C438 PolarHBondContact OE2-SG 3.28Å; E378-L439 CarbonylContact C-O 3.46Å; E378-L439 VanDerWaalsContact CA-O 3.31Å; E378-L439 WeakPolarHBondContact CA-O 3.43Å
379M89.7Confident90.6Very high0 Ų049.1 Ų49.10%024%0.236CC..EExtended strand (participates in β ladder)trans-112.8154.4164.365.8174.7-69.800110.1F343 I381 Y406 I412 C438 L439 L444F343-M379 HydrophobicContact CE2-CE 4Å; F343-M379 HydrophobicContact CZ-CE 4Å; F343-M379 HydrophobicContact CZ-SD 4.49Å; M379-I381 HydrophobicContact CE-CG1 4.34Å; M379-Y406 HydrophobicContact CE-CD2 4.44Å; M379-I412 HydrophobicContact CB-CD1 3.63Å; M379-I412 HydrophobicContact CG-CD1 3.8Å; M379-I412 HydrophobicContact SD-CD1 3.57Å; M379-I412 VanDerWaalsContact SD-CD1 3.57Å; M379-C438 WeakPolarHBondContact O-CA 3.32Å; M379-L439 HydrophobicContact CG-CB 3.77Å; M379-L439 HydrophobicContact CG-CD2 4.25Å; M379-L439 HydrophobicContact CG-CG 4.4Å; M379-L439 PolarHBondContact N-O 3.39Å; M379-L439 PolarHBondContact O-N 3.24Å; M379-L439 HydrophobicContact SD-CB 4.47Å; M379-L439 HydrophobicContact SD-CD2 3.89Å; M379-L444 HydrophobicContact SD-CD2 3.73Å
380Y92.1Very high90.6Very high18 Ų1848.3 Ų48.37%0.07123%0.232CC..EExtended strand (participates in β ladder)trans-124.5136.3-177.6-58.7-82.5000111F363 I369 E378 Y406 F407 L436 F437 C438F363-Y380 HydrophobicContact CZ-CE1 4.48Å; I369-Y380 HydrophobicContact CG2-CD2 4.01Å; I369-Y380 HydrophobicContact CG2-CE1 4.4Å; I369-Y380 HydrophobicContact CG2-CE2 3.8Å; I369-Y380 HydrophobicContact CG2-CG 4.37Å; E378-Y380 HydrophobicContact CB-CE2 4.36Å; E378-Y380 PolarHBondContact OE2-OH 3.41Å; Y380-Y406 CarbonylContact O-C 3.58Å; Y380-Y406 VanDerWaalsContact O-CA 3.25Å; Y380-Y406 WeakPolarHBondContact O-CA 3.18Å; Y380-Y406 WeakPolarHBondContact O-CB 3.42Å; Y380-F407 VanDerWaalsContact CB-CZ 3.45Å; Y380-F407 HydrophobicContact CD2-CD2 4.11Å; Y380-F407 AromaticContact CD2-CE2 3.37Å; Y380-F407 HydrophobicContact CD2-CE2 3.37Å; Y380-F407 AromaticContact CD2-CZ 3.63Å; Y380-F407 HydrophobicContact CD2-CZ 3.63Å; Y380-F407 HydrophobicContact CE2-CE2 4.23Å; Y380-F407 HydrophobicContact CG-CE1 4.35Å; Y380-F407 AromaticContact CG-CE2 3.99Å; Y380-F407 HydrophobicContact CG-CE2 3.99Å; Y380-F407 AromaticContact CG-CZ 3.76Å; Y380-F407 HydrophobicContact CG-CZ 3.76Å; Y380-F407 PolarHBondContact N-O 3.41Å; Y380-F407 PolarHBondContact O-N 3.09Å; Y380-L436 HydrophobicContact CD1-CB 4.27Å; Y380-L436 HydrophobicContact CD1-CD1 4.26Å; Y380-L436 HydrophobicContact CG-CD1 4.32Å; Y380-F437 CarbonylContact C-O 3.57Å; Y380-F437 VanDerWaalsContact CA-O 3.28Å; Y380-F437 WeakPolarHBondContact CA-O 3.49Å; Y380-C438 HydrophobicContact CD1-CB 3.91Å; Y380-C438 HydrophobicContact CE1-CB 3.74Å
381I91.4Very high90.4Very high2 Ų248.6 Ų48.61%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-111.3128.5173.5-59168.8000107.6T336 V340 F343 L358 M379 K383 L436 F437T336-I381 HydrophobicContact CG2-CG2 4.43Å; V340-I381 HydrophobicContact CG2-CG2 3.49Å; V340-I381 VanDerWaalsContact CG2-CG2 3.49Å; F343-I381 HydrophobicContact CD2-CD1 4.47Å; F343-I381 HydrophobicContact CE2-CD1 3.98Å; L358-I381 HydrophobicContact CD2-CD1 4.22Å; M379-I381 HydrophobicContact CE-CG1 4.34Å; I381-K383 PolarHBondContact O-N 2.9Å; I381-L436 CarbonylContact O-C 3.45Å; I381-L436 VanDerWaalsContact O-CA 3.29Å; I381-L436 WeakPolarHBondContact O-CA 3.49Å; I381-F437 HydrophobicContact CB-CB 4.29Å; I381-F437 PolarHBondContact N-O 3.46Å; I381-F437 PolarHBondContact O-N 3.46Å
382I92.1Very high90.1Very high0 Ų048.7 Ų48.70%024%0.241CC..EExtended strand (participates in β ladder)trans-82.4108.4-178.7-48.7-176.7000109L387 L401 G404 S405 F407 L436I382-L387 HydrophobicContact CD1-CB 4.36Å; I382-L387 HydrophobicContact CD1-CD1 3.58Å; I382-L387 HydrophobicContact CD1-CG 3.92Å; I382-L387 HydrophobicContact CG1-CD1 3.95Å; I382-L401 HydrophobicContact CD1-CB 3.45Å; I382-L401 VanDerWaalsContact CD1-CB 3.45Å; I382-L401 HydrophobicContact CD1-CD1 4.47Å; I382-G404 PolarHBondContact O-N 3.22Å; I382-S405 WeakPolarHBondContact CB-O 3.41Å; I382-S405 WeakPolarHBondContact CG1-O 3.26Å; I382-S405 PolarHBondContact N-O 3.28Å; I382-F407 HydrophobicContact CG1-CD1 4.45Å; I382-F407 HydrophobicContact CG1-CE1 4.34Å; I382-L436 HydrophobicContact CB-CD2 4.03Å; I382-L436 HydrophobicContact CG1-CD2 3.78Å; I382-L436 HydrophobicContact CG2-CD2 4.02Å
383K88.1Confident89.9Confident81 Ų8147.9 Ų47.935%0.35224%0.242SC..EExtended strand (participates in β ladder)trans-78.7-53.5173.2-175.3-168.8-172.9178.10109.9T336 I381 S403 D435 F437T336-K383 HydrophobicContact CG2-CB 4.28Å; T336-K383 HydrophobicContact CG2-CG 4.23Å; I381-K383 PolarHBondContact O-N 2.9Å; K383-S403 WeakPolarHBondContact O-CB 3.22Å; K383-D435 HydrophobicContact CB-CB 4.21Å; K383-D435 WeakPolarHBondContact CB-O 3.13Å; K383-D435 HydrophobicContact CD-CB 4.46Å; K383-D435 PolarHBondContact N-O 2.99Å; K383-F437 HydrophobicContact CB-CD2 4.04Å; K383-F437 HydrophobicContact CB-CE2 3.77Å; K383-F437 HydrophobicContact CD-CE2 3.63Å; K383-F437 HydrophobicContact CD-CZ 3.67Å; K383-F437 HydrophobicContact CG-CE2 3.76Å; K383-F437 HydrophobicContact CG-CZ 4.33Å
384D90.1Very high89.5Confident88 Ų8847.1 Ų47.147%0.47123%0.234SC..EExtended strand (participates in β ladder)trans-147151.5179.1-168.330.2000111.1S434 D435D384-S434 CarbonylContact O-C 3.56Å; D384-S434 WeakPolarHBondContact O-CA 3.44Å; D384-D435 HydrophobicContact CB-CB 4.29Å; D384-D435 PolarHBondContact N-O 3.38Å; D384-D435 PolarHBondContact O-N 3.44Å
385G92Very high89.2Confident14 Ų1448.5 Ų48.514%0.14425%0.245CC..SBendtrans103.3-177.4-177.300000114.5
386K94.8Very high89.1Confident133 Ų13347.1 Ų47.158%0.57824%0.241SC*.  trans-133.7128-176.2-64.9-177-179177.90110.1V400 L401 I431K386-V400 HydrophobicContact CB-CG1 4.13Å; K386-L401 WeakPolarHBondContact CA-O 3.35Å; K386-I431 HydrophobicContact CB-CB 4.47Å; K386-I431 HydrophobicContact CB-CD1 4Å; K386-I431 WeakPolarHBondContact O-CB 3.32Å; K386-I431 PolarHBondContact O-N 2.77Å
387L95.5Very high89.2Confident0 Ų052.2 Ų52.20%027%0.265CS..EExtended strand (participates in β ladder)trans-113.5139.9177.7-53.5-178.6000109.6I369 I382 V400 L401 F407 I428 R429 S434 L436I369-L387 HydrophobicContact CD1-CD1 4.41Å; I369-L387 HydrophobicContact CD1-CD2 3.73Å; I382-L387 HydrophobicContact CD1-CB 4.36Å; I382-L387 HydrophobicContact CD1-CD1 3.58Å; I382-L387 HydrophobicContact CD1-CG 3.92Å; I382-L387 HydrophobicContact CG1-CD1 3.95Å; L387-V400 CarbonylContact O-C 3.39Å; L387-V400 VanDerWaalsContact O-CA 3.28Å; L387-V400 WeakPolarHBondContact O-CA 3.42Å; L387-L401 HydrophobicContact CB-CB 4.39Å; L387-L401 PolarHBondContact N-O 3.29Å; L387-L401 PolarHBondContact O-N 3.29Å; L387-F407 HydrophobicContact CD1-CD1 4.09Å; L387-F407 HydrophobicContact CD1-CE1 3.24Å; L387-F407 HydrophobicContact CD1-CZ 3.8Å; L387-I428 HydrophobicContact CB-CG2 3.99Å; L387-I428 HydrophobicContact CD1-CG2 4.05Å; L387-R429 CarbonylContact C-O 3.51Å; L387-R429 WeakPolarHBondContact CA-O 2.96Å; L387-S434 WeakPolarHBondContact CD2-OG 3.39Å; L387-L436 HydrophobicContact CD1-CD1 4.05Å; L387-L436 HydrophobicContact CD1-CD2 3.88Å
388A94.1Very high89.1Confident0 Ų050.7 Ų50.70%026%0.264CS..EExtended strand (participates in β ladder)trans-104.3130.9172.100000109.9V390 Q397 R429 I431A388-V390 HydrophobicContact CB-CG1 4.03Å; A388-V390 PolarHBondContact O-N 2.99Å; A388-Q397 HydrophobicContact CB-CG 4.17Å; A388-R429 PolarHBondContact N-O 2.97Å; A388-R429 PolarHBondContact O-N 3.14Å; A388-I431 HydrophobicContact CB-CD1 4.01Å; A388-I431 HydrophobicContact CB-CG1 3.93Å
389V92.9Very high89Confident27 Ų2752.6 Ų52.616%0.16428%0.278CS..EExtended strand (participates in β ladder)trans-79.2113.1163.2-173.50000107.1F398 V399 L401 A426 N427 I428V389-F398 HydrophobicContact CG1-CD2 4.37Å; V389-F398 PolarHBondContact O-N 2.9Å; V389-V399 HydrophobicContact CG2-CB 4.48Å; V389-V399 PolarHBondContact N-O 3.23Å; V389-L401 HydrophobicContact CG2-CD1 4.19Å; V389-L401 HydrophobicContact CG2-CG 4.34Å; V389-A426 HydrophobicContact CG1-CB 3.84Å; V389-N427 WeakPolarHBondContact CA-O 3.22Å; V389-I428 HydrophobicContact CG2-CG1 4.47Å
390V92.3Very high89.2Confident2 Ų256.1 Ų56.11%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-107.4147.2-174.8-61.20000111.1Y368 A388 T396 Q397 N427 R429Y368-V390 HydrophobicContact CE1-CG2 3.64Å; A388-V390 HydrophobicContact CB-CG1 4.03Å; A388-V390 PolarHBondContact O-N 2.99Å; V390-T396 CarbonylContact C-O 3.56Å; V390-T396 VanDerWaalsContact CA-O 3.29Å; V390-T396 WeakPolarHBondContact CA-O 3.3Å; V390-Q397 HydrophobicContact CG1-CG 4.32Å; V390-N427 HydrophobicContact CG2-CB 3.57Å; V390-N427 PolarHBondContact N-O 3.28Å; V390-N427 WeakPolarHBondContact O-CB 3.41Å; V390-N427 PolarHBondContact O-ND2 3.42Å; V390-R429 HydrophobicContact CG1-CB 4.34Å; V390-R429 HydrophobicContact CG2-CB 4.38Å
391A88.2Confident89.2Confident15 Ų1556.8 Ų56.812%0.12430%0.304CS..  trans-71.1176.817200000111.7D393 G394 T396 F398 N427A391-D393 PolarHBondContact O-N 2.96Å; A391-D393 VanDerWaalsContact O-N 3.14Å; A391-G394 PolarHBondContact O-N 2.96Å; A391-T396 WeakPolarHBondContact CB-OG1 3.34Å; A391-T396 PolarHBondContact N-O 2.95Å; A391-F398 HydrophobicContact CB-CD2 4.42Å; A391-F398 HydrophobicContact CB-CE2 3.42Å; A391-F398 VanDerWaalsContact CB-CE2 3.42Å; A391-F398 HydrophobicContact CB-CZ 3.57Å; A391-N427 PolarHBondContact O-ND2 3.04Å
392D85.3Confident89.1Confident111 Ų11157.8 Ų57.859%0.59432%0.315SS*.THydrogen-bonded Turntrans-64.9-16.2-178.3-64.1-26.5000112.3K372 G394 N427K372-D392 WeakPolarHBondContact CD-OD1 3.44Å; K372-D392 IonicContact NZ-OD1 2.67Å; K372-D392 IonicContact NZ-OD2 3.2Å; K372-D392 PolarHBondContact NZ-OD2 3.36Å; D392-G394 VanDerWaalsContact C-N 3.33Å; D392-N427 PolarHBondContact OD1-ND2 3.18Å
393D83.8Confident89Confident93 Ų9361.1 Ų61.150%0.49734%0.338SS..THydrogen-bonded Turntrans-77.4-13.3172.468.55.9000114.1A391 V395 T396A391-D393 PolarHBondContact O-N 2.96Å; A391-D393 VanDerWaalsContact O-N 3.14Å; D393-V395 PolarHBondContact O-N 3.21Å; D393-V395 PolarHBondContact OD1-N 3.34Å; D393-T396 VanDerWaalsContact CG-OG1 3.25Å; D393-T396 PolarHBondContact OD1-N 3.4Å; D393-T396 PolarHBondContact OD1-OG1 3.44Å; D393-T396 VanDerWaalsContact OD2-CG2 3.28Å; D393-T396 WeakPolarHBondContact OD2-CG2 3.39Å; D393-T396 PolarHBondContact OD2-OG1 3.08Å
394G78.1Confident88.8Confident12 Ų1258 Ų5812%0.12433%0.33CS..SBendtrans69.13.7-176.200000115.6A391 D392 R429A391-G394 PolarHBondContact O-N 2.96Å; D392-G394 VanDerWaalsContact C-N 3.33Å; G394-R429 PolarHBondContact O-NH1 2.9Å; G394-R429 PolarHBondContact O-NH2 2.98Å
395V81.3Confident88.7Confident110 Ų11055.8 Ų55.867%0.66732%0.321SS*.SBendtrans-113.6-47.3-175.6-179.40000111D393 Q397D393-V395 PolarHBondContact O-N 3.21Å; D393-V395 PolarHBondContact OD1-N 3.34Å; V395-Q397 PolarHBondContact O-N 3.31Å
396T85.5Confident88.6Confident65 Ų6556.5 Ų56.540%0.39932%0.319SS..  trans-73.5127.5-178.147.80000110.4V390 A391 D393V390-T396 CarbonylContact C-O 3.56Å; V390-T396 VanDerWaalsContact CA-O 3.29Å; V390-T396 WeakPolarHBondContact CA-O 3.3Å; A391-T396 WeakPolarHBondContact CB-OG1 3.34Å; A391-T396 PolarHBondContact N-O 2.95Å; D393-T396 VanDerWaalsContact CG-OG1 3.25Å; D393-T396 PolarHBondContact OD1-N 3.4Å; D393-T396 PolarHBondContact OD1-OG1 3.44Å; D393-T396 VanDerWaalsContact OD2-CG2 3.28Å; D393-T396 WeakPolarHBondContact OD2-CG2 3.39Å; D393-T396 PolarHBondContact OD2-OG1 3.08Å
397Q87.7Confident88.4Confident108 Ų10850.6 Ų50.651%0.50529%0.293SS..EExtended strand (participates in β ladder)trans-105.2119.3-179.2-61.1-179.723.100108.9A388 V390 V395A388-Q397 HydrophobicContact CB-CG 4.17Å; V390-Q397 HydrophobicContact CG1-CG 4.32Å; V395-Q397 PolarHBondContact O-N 3.31Å
398F85.1Confident88Confident144 Ų14451.1 Ų51.163%0.63230%0.299SS*.EExtended strand (participates in β ladder)trans-81.7-50.9178.7-65.9-65.9000111.8V389 A391V389-F398 HydrophobicContact CG1-CD2 4.37Å; V389-F398 PolarHBondContact O-N 2.9Å; A391-F398 HydrophobicContact CB-CD2 4.42Å; A391-F398 HydrophobicContact CB-CE2 3.42Å; A391-F398 VanDerWaalsContact CB-CE2 3.42Å; A391-F398 HydrophobicContact CB-CZ 3.57Å
399V89.8Confident87.3Confident82 Ų8252 Ų5250%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-146.9143.8-174.3176.60000109.4V389 L401V389-V399 HydrophobicContact CG2-CB 4.48Å; V389-V399 PolarHBondContact N-O 3.23Å; V399-L401 HydrophobicContact CG1-CD2 4.12Å
400V92.6Very high86.5Confident74 Ų7451.2 Ų51.245%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-103.6120.6170.1-179.30000109.2K386 L387 I431K386-V400 HydrophobicContact CB-CG1 4.13Å; L387-V400 CarbonylContact O-C 3.39Å; L387-V400 VanDerWaalsContact O-CA 3.28Å; L387-V400 WeakPolarHBondContact O-CA 3.42Å; V400-I431 HydrophobicContact CG1-CD1 3.85Å; V400-I431 HydrophobicContact CG2-CD1 4.18Å
401L92Very high85.6Confident31 Ų3151.2 Ų51.216%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-92.3127.1174.5-54.9175.1000108.9I382 K386 L387 V389 V399 F407I382-L401 HydrophobicContact CD1-CB 3.45Å; I382-L401 VanDerWaalsContact CD1-CB 3.45Å; I382-L401 HydrophobicContact CD1-CD1 4.47Å; K386-L401 WeakPolarHBondContact CA-O 3.35Å; L387-L401 HydrophobicContact CB-CB 4.39Å; L387-L401 PolarHBondContact N-O 3.29Å; L387-L401 PolarHBondContact O-N 3.29Å; V389-L401 HydrophobicContact CG2-CD1 4.19Å; V389-L401 HydrophobicContact CG2-CG 4.34Å; V399-L401 HydrophobicContact CG1-CD2 4.12Å; L401-F407 HydrophobicContact CD1-CB 4.26Å; L401-F407 HydrophobicContact CD1-CD1 4.25Å
402G90.3Very high84.9Confident24 Ų2450.5 Ų50.525%0.24729%0.292CS..  trans-110.7-179.7176.600000112.5S405G402-S405 WeakPolarHBondContact O-CB 3.43Å; G402-S405 PolarHBondContact O-N 3.35Å; G402-S405 PolarHBondContact O-OG 3.4Å
403S89.1Confident84.3Confident69 Ų6945.4 Ų45.448%0.48327%0.265SS..THydrogen-bonded Turntrans-47.5136.6177.8-44.20000113K383 S405K383-S403 WeakPolarHBondContact O-CB 3.22Å; S403-S405 VanDerWaalsContact C-N 3.27Å; S403-S405 PolarHBondContact O-N 3.5Å
404G84.4Confident83.7Confident17 Ų1746.5 Ų46.518%0.17527%0.271CS..THydrogen-bonded Turntrans83.3-6.8-174.800000114.8I382I382-G404 PolarHBondContact O-N 3.22Å
405S88.8Confident83.4Confident40 Ų4046.8 Ų46.828%0.2827%0.269SS..  trans-82.3164168.6-46.80000110.8I382 G402 S403I382-S405 WeakPolarHBondContact CB-O 3.41Å; I382-S405 WeakPolarHBondContact CG1-O 3.26Å; I382-S405 PolarHBondContact N-O 3.28Å; G402-S405 WeakPolarHBondContact O-CB 3.43Å; G402-S405 PolarHBondContact O-N 3.35Å; G402-S405 PolarHBondContact O-OG 3.4Å; S403-S405 VanDerWaalsContact C-N 3.27Å; S403-S405 PolarHBondContact O-N 3.5Å
406Y89.6Confident82.6Confident29 Ų2947.6 Ų47.611%0.11426%0.264CS..EExtended strand (participates in β ladder)trans-140.1163.6176.565.5-81000109.5V340 I342 M379 Y380 E409 K461V340-Y406 HydrophobicContact CG1-CD1 3.27Å; V340-Y406 HydrophobicContact CG1-CE1 3.98Å; V340-Y406 HydrophobicContact CG1-CG 3.88Å; I342-Y406 HydrophobicContact CB-CE1 3.83Å; I342-Y406 HydrophobicContact CB-CE2 4.38Å; I342-Y406 HydrophobicContact CD1-CE2 3.85Å; I342-Y406 WeakPolarHBondContact CD1-OH 3.23Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CE1 3.88Å; I342-Y406 HydrophobicContact CG2-CE2 4.23Å; I342-Y406 HydrophobicContact CG2-CG 4.5Å; M379-Y406 HydrophobicContact CE-CD2 4.44Å; Y380-Y406 CarbonylContact O-C 3.58Å; Y380-Y406 VanDerWaalsContact O-CA 3.25Å; Y380-Y406 WeakPolarHBondContact O-CA 3.18Å; Y380-Y406 WeakPolarHBondContact O-CB 3.42Å; Y406-E409 HydrophobicContact CD2-CB 4.4Å; Y406-E409 HydrophobicContact CE2-CB 4.12Å; Y406-E409 HydrophobicContact CE2-CG 3.92Å; Y406-K461 WeakPolarHBondContact OH-CD 3.4Å; Y406-K461 WeakPolarHBondContact OH-CE 3.25Å; Y406-K461 PolarHBondContact OH-NZ 3.35Å
407F89.3Confident81.5Confident9 Ų945.4 Ų45.44%0.03925%0.254CS..EExtended strand (participates in β ladder)trans-156.4164.8174.765-86.6000111.8I369 Y380 I382 L387 L401 E409 I428 L436I369-F407 HydrophobicContact CB-CE2 4.48Å; I369-F407 HydrophobicContact CB-CZ 4.23Å; I369-F407 HydrophobicContact CG2-CE2 4.01Å; I369-F407 HydrophobicContact CG2-CZ 3.78Å; Y380-F407 VanDerWaalsContact CB-CZ 3.45Å; Y380-F407 HydrophobicContact CD2-CD2 4.11Å; Y380-F407 AromaticContact CD2-CE2 3.37Å; Y380-F407 HydrophobicContact CD2-CE2 3.37Å; Y380-F407 AromaticContact CD2-CZ 3.63Å; Y380-F407 HydrophobicContact CD2-CZ 3.63Å; Y380-F407 HydrophobicContact CE2-CE2 4.23Å; Y380-F407 HydrophobicContact CG-CE1 4.35Å; Y380-F407 AromaticContact CG-CE2 3.99Å; Y380-F407 HydrophobicContact CG-CE2 3.99Å; Y380-F407 AromaticContact CG-CZ 3.76Å; Y380-F407 HydrophobicContact CG-CZ 3.76Å; Y380-F407 PolarHBondContact N-O 3.41Å; Y380-F407 PolarHBondContact O-N 3.09Å; I382-F407 HydrophobicContact CG1-CD1 4.45Å; I382-F407 HydrophobicContact CG1-CE1 4.34Å; L387-F407 HydrophobicContact CD1-CD1 4.09Å; L387-F407 HydrophobicContact CD1-CE1 3.24Å; L387-F407 HydrophobicContact CD1-CZ 3.8Å; L401-F407 HydrophobicContact CD1-CB 4.26Å; L401-F407 HydrophobicContact CD1-CD1 4.25Å; F407-E409 VanDerWaalsContact C-OE2 3.31Å; F407-E409 WeakPolarHBondContact CA-OE2 3.32Å; F407-I428 HydrophobicContact CB-CD1 3.88Å; F407-I428 HydrophobicContact CD1-CD1 4.36Å; F407-I428 HydrophobicContact CD2-CD1 3.17Å; F407-I428 HydrophobicContact CD2-CG1 4.49Å; F407-I428 HydrophobicContact CE1-CG2 4.49Å; F407-I428 HydrophobicContact CE2-CB 4.46Å; F407-I428 HydrophobicContact CE2-CD1 3.65Å; F407-I428 HydrophobicContact CE2-CG2 4.25Å; F407-I428 HydrophobicContact CG-CD1 3.55Å; F407-I428 HydrophobicContact CZ-CD1 4.43Å; F407-I428 HydrophobicContact CZ-CG2 4.15Å; F407-L436 HydrophobicContact CE1-CD1 4.13Å; F407-L436 HydrophobicContact CZ-CD1 3.96Å
408G86.9Confident80.6Confident11 Ų1141.3 Ų41.311%0.11324%0.238CC..  trans91.25.2177.100000113.9I410 S411 I412 R424G408-I410 VanDerWaalsContact C-N 3.25Å; G408-I410 PolarHBondContact O-N 3.36Å; G408-S411 PolarHBondContact O-N 3.31Å; G408-I412 WeakPolarHBondContact O-CG1 3.47Å; G408-R424 VanDerWaalsContact CA-NH1 3.28Å; G408-R424 PolarHBondContact O-NH1 2.95Å
409E79.6Confident79.8Confident19 Ų1940.4 Ų40.49%0.08923%0.233CC..Hα-helixtrans-59.8-30.3176.973.3-80.3-156.300113.5Y406 F407 I412 L413 I465Y406-E409 HydrophobicContact CD2-CB 4.4Å; Y406-E409 HydrophobicContact CE2-CB 4.12Å; Y406-E409 HydrophobicContact CE2-CG 3.92Å; F407-E409 VanDerWaalsContact C-OE2 3.31Å; F407-E409 WeakPolarHBondContact CA-OE2 3.32Å; E409-I412 WeakPolarHBondContact O-CG1 3.5Å; E409-L413 WeakPolarHBondContact O-CD1 3.3Å; E409-L413 VanDerWaalsContact O-CG 3.26Å; E409-L413 WeakPolarHBondContact O-CG 3.36Å; E409-L413 PolarHBondContact O-N 3.34Å; E409-I465 WeakPolarHBondContact OE1-CD1 3.43Å
410I77.8Confident78.5Confident10 Ų1037.5 Ų37.55%0.05122%0.218CC..Hα-helixtrans-71.6-40.1-175.5-56.6175.4000111.4G408 T425 I465 L466G408-I410 VanDerWaalsContact C-N 3.25Å; G408-I410 PolarHBondContact O-N 3.36Å; I410-T425 HydrophobicContact CG2-CG2 4.48Å; I410-I465 HydrophobicContact CD1-CB 4.09Å; I410-I465 HydrophobicContact CD1-CG2 3.63Å; I410-L466 HydrophobicContact CG2-CD1 3.82Å; I410-L466 HydrophobicContact CG2-CD2 3.66Å; I410-L466 HydrophobicContact CG2-CG 3.69Å
411S72.4Confident77.7Confident2 Ų235.7 Ų35.71%0.01422%0.215CC..Hα-helixtrans-76-27.1-174.7-50.10000112.7G408 N422 R423G408-S411 PolarHBondContact O-N 3.31Å; S411-N422 PolarHBondContact O-OD1 3.04Å; S411-R423 PolarHBondContact OG-O 3.46Å
412I74.3Confident77.1Confident1 Ų137 Ų371%0.00522%0.222CC..Hα-helixtrans-81.1-33.6179.648.1163.4000112.2M379 G408 E409 N414 K441 L444M379-I412 HydrophobicContact CB-CD1 3.63Å; M379-I412 HydrophobicContact CG-CD1 3.8Å; M379-I412 HydrophobicContact SD-CD1 3.57Å; M379-I412 VanDerWaalsContact SD-CD1 3.57Å; G408-I412 WeakPolarHBondContact O-CG1 3.47Å; E409-I412 WeakPolarHBondContact O-CG1 3.5Å; I412-N414 PolarHBondContact O-N 3.28Å; I412-K441 HydrophobicContact CB-CB 4.35Å; I412-K441 HydrophobicContact CB-CG 4.14Å; I412-K441 HydrophobicContact CG2-CB 3.82Å; I412-K441 HydrophobicContact CG2-CG 4.13Å; I412-K441 WeakPolarHBondContact O-CE 3.3Å; I412-K441 PolarHBondContact O-NZ 3.19Å; I412-L444 HydrophobicContact CD1-CD2 3.24Å; I412-L444 HydrophobicContact CG1-CD2 4.42Å
413L72.8Confident76.8Confident3 Ų342.6 Ų42.62%0.01624%0.235CC..SBendtrans-82.7114176.1-61.5166.9000108.3E409 I415 L448 L458 E459E409-L413 WeakPolarHBondContact O-CD1 3.3Å; E409-L413 VanDerWaalsContact O-CG 3.26Å; E409-L413 WeakPolarHBondContact O-CG 3.36Å; E409-L413 PolarHBondContact O-N 3.34Å; L413-I415 HydrophobicContact CB-CD1 4.18Å; L413-I415 HydrophobicContact CB-CG1 3.89Å; L413-I415 PolarHBondContact O-N 2.98Å; L413-L448 HydrophobicContact CD2-CD1 4.36Å; L413-L458 HydrophobicContact CD1-CB 3.89Å; L413-L458 HydrophobicContact CD1-CD2 4.1Å; L413-L458 WeakPolarHBondContact CD1-O 3.19Å; L413-L458 HydrophobicContact CD2-CB 4.22Å; L413-E459 HydrophobicContact CD2-CG 4.25Å
414N69.9Low76.7Confident117 Ų11740 Ų4063%0.62622%0.215SC*.  trans-72.166.4177.3-78.2-8.2000110.8I412 K416 K441I412-N414 PolarHBondContact O-N 3.28Å; N414-K416 PolarHBondContact O-N 3.13Å; N414-K441 PolarHBondContact OD1-NZ 3.01Å
415I71.7Confident76.7Confident18 Ų1841.1 Ų41.19%0.09222%0.218CC..  trans-68.1121.1-176.2-60.2168.9000109.2L413 S418 L466L413-I415 HydrophobicContact CB-CD1 4.18Å; L413-I415 HydrophobicContact CB-CG1 3.89Å; L413-I415 PolarHBondContact O-N 2.98Å; I415-S418 VanDerWaalsContact O-CB 3.28Å; I415-S418 WeakPolarHBondContact O-CB 3.33Å; I415-S418 PolarHBondContact O-N 3.17Å; I415-L466 HydrophobicContact CB-CD1 4.23Å; I415-L466 HydrophobicContact CD1-CD1 3.79Å; I415-L466 HydrophobicContact CG2-CD1 4.19Å
416K64.6Low76.6Confident126 Ų12640.6 Ų40.655%0.54822%0.217SC..THydrogen-bonded Turntrans-59.1134.2178.2-63.2-175.6176.2-174.80110.5N414 S418 E482N414-K416 PolarHBondContact O-N 3.13Å; K416-S418 VanDerWaalsContact C-N 3.35Å; K416-E482 IonicContact NZ-OE1 3.73Å; K416-E482 IonicContact NZ-OE2 2.73Å; K416-E482 PolarHBondContact NZ-OE2 2.91Å
417G62.8Low76.7Confident20 Ų2040 Ų4021%0.20622%0.216CC..THydrogen-bonded Turntrans80.26.6-178.600000115.5K419 D473G417-K419 PolarHBondContact O-N 3.39Å; G417-D473 PolarHBondContact O-N 3.12Å
418S69.5Low76.9Confident22 Ų2240.2 Ų40.215%0.15422%0.217CC..BIsolated β-bridgetrans-73.1120.6175.2176.20000111.8I415 K416 A420 G421I415-S418 VanDerWaalsContact O-CB 3.28Å; I415-S418 WeakPolarHBondContact O-CB 3.33Å; I415-S418 PolarHBondContact O-N 3.17Å; K416-S418 VanDerWaalsContact C-N 3.35Å; S418-A420 PolarHBondContact O-N 2.94Å; S418-A420 PolarHBondContact OG-N 3.19Å; S418-G421 PolarHBondContact O-N 3.37Å; S418-G421 PolarHBondContact OG-N 3.11Å
419K66.9Low77.3Confident125 Ų12542.2 Ų42.254%0.54322%0.221SC..THydrogen-bonded Turntrans-65-27.3173-68.1-179.5-179.8169.80112.9G417 L471 D473G417-K419 PolarHBondContact O-N 3.39Å; K419-L471 HydrophobicContact CB-CD2 4.33Å; K419-L471 WeakPolarHBondContact CB-O 3.15Å; K419-L471 PolarHBondContact N-O 2.79Å; K419-D473 WeakPolarHBondContact CE-OD1 3.23Å; K419-D473 WeakPolarHBondContact CE-OD2 3.26Å; K419-D473 WeakPolarHBondContact CG-OD2 3.49Å; K419-D473 IonicContact NZ-OD1 2.66Å; K419-D473 PolarHBondContact NZ-OD1 2.91Å
420A64.1Low78Confident20 Ų2041.3 Ų41.317%0.16522%0.217CC..THydrogen-bonded Turntrans-82.4-21.7-179.500000112.7S418 N422 R423 T425S418-A420 PolarHBondContact O-N 2.94Å; S418-A420 PolarHBondContact OG-N 3.19Å; A420-N422 PolarHBondContact O-N 3.35Å; A420-R423 VanDerWaalsContact O-CB 3.3Å; A420-R423 WeakPolarHBondContact O-CB 3.39Å; A420-R423 PolarHBondContact O-N 3.5Å; A420-T425 HydrophobicContact CB-CG2 3.92Å
421G74.8Confident78.8Confident37 Ų3744.6 Ų44.638%0.38123%0.234SC..THydrogen-bonded Turntrans49.9-129-174.200000111.9S418 R423S418-G421 PolarHBondContact O-N 3.37Å; S418-G421 PolarHBondContact OG-N 3.11Å; G421-R423 PolarHBondContact O-N 2.95Å
422N78.9Confident79.7Confident59 Ų5945.8 Ų45.832%0.31625%0.246SC..THydrogen-bonded Turntrans-86.221.9178.2-166.55.1000113.5I375 G376 S411 A420I375-N422 WeakPolarHBondContact CA-O 3.27Å; G376-N422 PolarHBondContact N-O 3.18Å; G376-N422 PolarHBondContact O-OD1 2.96Å; S411-N422 PolarHBondContact O-OD1 3.04Å; A420-N422 PolarHBondContact O-N 3.35Å
423R85.1Confident80.6Confident140 Ų14048.9 Ų48.953%0.52826%0.258SS..BIsolated β-bridgetrans-99.1151.8178-62.9-173.4179-88.52.3111.8G373 D374 S411 A420 G421G373-R423 WeakPolarHBondContact O-CD 3.38Å; G373-R423 PolarHBondContact O-NH1 3.49Å; D374-R423 CarbonylContact O-C 3.47Å; D374-R423 WeakPolarHBondContact O-CA 3.35Å; S411-R423 PolarHBondContact OG-O 3.46Å; A420-R423 VanDerWaalsContact O-CB 3.3Å; A420-R423 WeakPolarHBondContact O-CB 3.39Å; A420-R423 PolarHBondContact O-N 3.5Å; G421-R423 PolarHBondContact O-N 2.95Å
424R87.4Confident81.6Confident16 Ų1648.8 Ų48.86%0.0626%0.257CS..  trans-70.3135.6174-63.7-66.3-168.1-162.15.9110C370 K371 K372 G373 D374 G376 E378 G408C370-R424 HydrophobicContact CB-CG 3.99Å; K371-R424 VanDerWaalsContact O-CB 3.24Å; K371-R424 WeakPolarHBondContact O-CB 3.31Å; K372-R424 WeakPolarHBondContact CA-O 3.17Å; G373-R424 PolarHBondContact N-O 2.94Å; D374-R424 HydrophobicContact CB-CG 4.09Å; D374-R424 WeakPolarHBondContact O-CG 3.42Å; D374-R424 PolarHBondContact O-N 3.24Å; G376-R424 VanDerWaalsContact CA-CZ 3.43Å; E378-R424 PolarHBondContact O-NH1 3.34Å; E378-R424 PolarHBondContact O-NH2 3.43Å; G408-R424 VanDerWaalsContact CA-NH1 3.28Å; G408-R424 PolarHBondContact O-NH1 2.95Å
425T84Confident82.7Confident39 Ų3944 Ų4424%0.23923%0.232CC..  trans-89.9-19.6-176.752.80000113.5I410 A420 L471I410-T425 HydrophobicContact CG2-CG2 4.48Å; A420-T425 HydrophobicContact CB-CG2 3.92Å; T425-L471 HydrophobicContact CG2-CD1 4.01Å
426A86.6Confident83.6Confident30 Ų3043.2 Ų43.225%0.24823%0.228CC..SBendtrans-143158.1-174.800000112.9V389V389-A426 HydrophobicContact CG1-CB 3.84Å
427N91.1Very high84.9Confident17 Ų1737.4 Ų37.49%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-87.2128.5170.3-52.3-63.4000109.2Y368 C370 K371 K372 V389 V390 A391 D392Y368-N427 HydrophobicContact CD1-CB 4.37Å; Y368-N427 HydrophobicContact CE1-CB 4.14Å; C370-N427 WeakPolarHBondContact O-CA 3.4Å; K371-N427 WeakPolarHBondContact CA-OD1 3.43Å; K372-N427 PolarHBondContact N-OD1 3.35Å; V389-N427 WeakPolarHBondContact CA-O 3.22Å; V390-N427 HydrophobicContact CG2-CB 3.57Å; V390-N427 PolarHBondContact N-O 3.28Å; V390-N427 WeakPolarHBondContact O-CB 3.41Å; V390-N427 PolarHBondContact O-ND2 3.42Å; A391-N427 PolarHBondContact O-ND2 3.04Å; D392-N427 PolarHBondContact OD1-ND2 3.18Å
428I93.6Very high86.3Confident12 Ų1236.4 Ų36.46%0.06219%0.192CC..EExtended strand (participates in β ladder)trans-123.2122.4179.7-58.6178.2000108.3Y368 I369 C370 L387 V389 F407Y368-I428 CarbonylContact C-O 3.54Å; Y368-I428 WeakPolarHBondContact CA-O 3.26Å; I369-I428 HydrophobicContact CD1-CG2 4.22Å; I369-I428 PolarHBondContact N-O 3.26Å; C370-I428 PolarHBondContact O-N 3.38Å; L387-I428 HydrophobicContact CB-CG2 3.99Å; L387-I428 HydrophobicContact CD1-CG2 4.05Å; V389-I428 HydrophobicContact CG2-CG1 4.47Å; F407-I428 HydrophobicContact CB-CD1 3.88Å; F407-I428 HydrophobicContact CD1-CD1 4.36Å; F407-I428 HydrophobicContact CD2-CD1 3.17Å; F407-I428 HydrophobicContact CD2-CG1 4.49Å; F407-I428 HydrophobicContact CE1-CG2 4.49Å; F407-I428 HydrophobicContact CE2-CB 4.46Å; F407-I428 HydrophobicContact CE2-CD1 3.65Å; F407-I428 HydrophobicContact CE2-CG2 4.25Å; F407-I428 HydrophobicContact CG-CD1 3.55Å; F407-I428 HydrophobicContact CZ-CD1 4.43Å; F407-I428 HydrophobicContact CZ-CG2 4.15Å
429R94.5Very high87.3Confident54 Ų5435.4 Ų35.420%0.20419%0.185CC..EExtended strand (participates in β ladder)trans-121.8138.2-177.2-172.3176.666.7-159.9-6.3111.1G366 D367 Y368 L387 A388 V390 G394G366-R429 WeakPolarHBondContact O-CD 3.17Å; G366-R429 WeakPolarHBondContact O-CG 3.27Å; D367-R429 CarbonylContact O-C 3.53Å; D367-R429 VanDerWaalsContact O-CA 3.29Å; D367-R429 WeakPolarHBondContact O-CA 3.42Å; D367-R429 WeakPolarHBondContact O-CG 3.41Å; Y368-R429 HydrophobicContact CD1-CB 4.25Å; Y368-R429 HydrophobicContact CE1-CB 4.23Å; Y368-R429 HydrophobicContact CE2-CG 4.48Å; L387-R429 CarbonylContact C-O 3.51Å; L387-R429 WeakPolarHBondContact CA-O 2.96Å; A388-R429 PolarHBondContact N-O 2.97Å; A388-R429 PolarHBondContact O-N 3.14Å; V390-R429 HydrophobicContact CG1-CB 4.34Å; V390-R429 HydrophobicContact CG2-CB 4.38Å; G394-R429 PolarHBondContact O-NH1 2.9Å; G394-R429 PolarHBondContact O-NH2 2.98Å
430S95.4Very high88.5Confident0 Ų030.2 Ų30.20%017%0.165CC..EExtended strand (participates in β ladder)trans-73.7130.3173-160.10000111S364 G366 D367 G432 S434S364-S430 WeakPolarHBondContact O-CB 3.35Å; G366-S430 WeakPolarHBondContact CA-O 3.42Å; G366-S430 PolarHBondContact N-O 3.28Å; D367-S430 PolarHBondContact O-N 3.12Å; S430-G432 WeakPolarHBondContact CB-O 3.48Å; S430-G432 PolarHBondContact OG-O 2.91Å; S430-S434 WeakPolarHBondContact OG-CB 3.31Å; S430-S434 PolarHBondContact OG-OG 2.81Å
431I93.4Very high89.6Confident79 Ų7930.8 Ų30.841%0.40516%0.163SC..SBendtrans-80-42.1175.2-61.6164.6000110K386 A388 V400K386-I431 HydrophobicContact CB-CB 4.47Å; K386-I431 HydrophobicContact CB-CD1 4Å; K386-I431 WeakPolarHBondContact O-CB 3.32Å; K386-I431 PolarHBondContact O-N 2.77Å; A388-I431 HydrophobicContact CB-CD1 4.01Å; A388-I431 HydrophobicContact CB-CG1 3.93Å; V400-I431 HydrophobicContact CG1-CD1 3.85Å; V400-I431 HydrophobicContact CG2-CD1 4.18Å
432G92.9Very high90.3Very high26 Ų2634.9 Ų34.927%0.26818%0.177SC..SBendtrans-123.5-161.1178.400000111.7S364 P365 S430 S434S364-G432 CarbonylContact C-O 3.59Å; P365-G432 WeakPolarHBondContact CA-O 3.38Å; S430-G432 WeakPolarHBondContact CB-O 3.48Å; S430-G432 PolarHBondContact OG-O 2.91Å; G432-S434 PolarHBondContact O-N 3.09Å
433Y93.3Very high90.9Very high67 Ų6734.1 Ų34.126%0.26317%0.173SC..  trans-69.5128.6161.4-72.5-80000108.7K299 Y303 F363 P365K299-Y433 PolarHBondContact O-OH 3.36Å; Y303-Y433 AromaticContact CD1-CD1 3.52Å; Y303-Y433 HydrophobicContact CD1-CD1 3.52Å; Y303-Y433 AromaticContact CD1-CE1 3.9Å; Y303-Y433 HydrophobicContact CD1-CE1 3.9Å; Y303-Y433 AromaticContact CD1-CG 3.97Å; Y303-Y433 HydrophobicContact CD1-CG 3.97Å; Y303-Y433 AromaticContact CD2-CD1 3.84Å; Y303-Y433 HydrophobicContact CD2-CD1 3.84Å; Y303-Y433 AromaticContact CD2-CD2 3.55Å; Y303-Y433 HydrophobicContact CD2-CD2 3.55Å; Y303-Y433 HydrophobicContact CD2-CE1 4.11Å; Y303-Y433 AromaticContact CD2-CE2 3.82Å; Y303-Y433 HydrophobicContact CD2-CE2 3.82Å; Y303-Y433 AromaticContact CD2-CG 3.55Å; Y303-Y433 HydrophobicContact CD2-CG 3.55Å; Y303-Y433 AromaticContact CE1-CD1 3.8Å; Y303-Y433 HydrophobicContact CE1-CD1 3.8Å; Y303-Y433 AromaticContact CE1-CG 3.94Å; Y303-Y433 HydrophobicContact CE1-CG 3.94Å; Y303-Y433 HydrophobicContact CE2-CD1 4.09Å; Y303-Y433 AromaticContact CE2-CD2 3.71Å; Y303-Y433 HydrophobicContact CE2-CD2 3.71Å; Y303-Y433 HydrophobicContact CE2-CE2 4.44Å; Y303-Y433 AromaticContact CE2-CG 3.5Å; Y303-Y433 HydrophobicContact CE2-CG 3.5Å; Y303-Y433 VanDerWaalsContact CE2-CG 3.5Å; Y303-Y433 AromaticContact CG-CD1 3.55Å; Y303-Y433 HydrophobicContact CG-CD1 3.55Å; Y303-Y433 HydrophobicContact CG-CD2 4.09Å; Y303-Y433 AromaticContact CG-CE1 3.62Å; Y303-Y433 HydrophobicContact CG-CE1 3.62Å; Y303-Y433 HydrophobicContact CG-CE2 4.14Å; Y303-Y433 AromaticContact CG-CG 3.79Å; Y303-Y433 HydrophobicContact CG-CG 3.79Å; Y303-Y433 AromaticContact CG-CZ 3.91Å; Y303-Y433 AromaticContact CZ-CG 3.71Å; F363-Y433 WeakPolarHBondContact O-CA 3.39Å; P365-Y433 HydrophobicContact CG-CD2 4Å; P365-Y433 HydrophobicContact CG-CE2 4.04Å; P365-Y433 HydrophobicContact CG-CG 4.39Å
434S93.8Very high91Very high0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-129.2135.7-178-57.60000110.9V362 F363 D384 L387 S430 G432V362-S434 WeakPolarHBondContact CA-O 3.36Å; F363-S434 PolarHBondContact N-O 3.42Å; F363-S434 PolarHBondContact O-N 3.17Å; D384-S434 CarbonylContact O-C 3.56Å; D384-S434 WeakPolarHBondContact O-CA 3.44Å; L387-S434 WeakPolarHBondContact CD2-OG 3.39Å; S430-S434 WeakPolarHBondContact OG-CB 3.31Å; S430-S434 PolarHBondContact OG-OG 2.81Å; G432-S434 PolarHBondContact O-N 3.09Å
435D91.7Very high90.9Very high17 Ų1729.3 Ų29.39%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-101116.2175.2-65.7-24.3000109.6K309 K383 D384K309-D435 WeakPolarHBondContact CE-OD1 3.47Å; K309-D435 WeakPolarHBondContact CE-OD2 2.99Å; K309-D435 IonicContact NZ-OD1 3.84Å; K309-D435 PolarHBondContact NZ-OD1 2.93Å; K309-D435 IonicContact NZ-OD2 3.67Å; K309-D435 PolarHBondContact NZ-OD2 3.33Å; K383-D435 HydrophobicContact CB-CB 4.21Å; K383-D435 WeakPolarHBondContact CB-O 3.13Å; K383-D435 HydrophobicContact CD-CB 4.46Å; K383-D435 PolarHBondContact N-O 2.99Å; D384-D435 HydrophobicContact CB-CB 4.29Å; D384-D435 PolarHBondContact N-O 3.38Å; D384-D435 PolarHBondContact O-N 3.44Å
436L92.3Very high91.2Very high2 Ų232.9 Ų32.91%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-115.6143.7179.2-54.2-174.1000109.6P360 Q361 F363 I369 Y380 I381 I382 L387 F407P360-L436 CarbonylContact C-O 3.54Å; Q361-L436 PolarHBondContact N-O 3.37Å; Q361-L436 PolarHBondContact O-N 2.94Å; F363-L436 HydrophobicContact CD2-CB 4.45Å; F363-L436 HydrophobicContact CD2-CD1 3.56Å; F363-L436 HydrophobicContact CD2-CG 3.94Å; F363-L436 HydrophobicContact CE2-CB 4.3Å; F363-L436 HydrophobicContact CE2-CD1 3.58Å; F363-L436 HydrophobicContact CE2-CG 4.16Å; I369-L436 HydrophobicContact CG1-CD1 4.04Å; I369-L436 HydrophobicContact CG2-CD1 4.16Å; Y380-L436 HydrophobicContact CD1-CB 4.27Å; Y380-L436 HydrophobicContact CD1-CD1 4.26Å; Y380-L436 HydrophobicContact CG-CD1 4.32Å; I381-L436 CarbonylContact O-C 3.45Å; I381-L436 VanDerWaalsContact O-CA 3.29Å; I381-L436 WeakPolarHBondContact O-CA 3.49Å; I382-L436 HydrophobicContact CB-CD2 4.03Å; I382-L436 HydrophobicContact CG1-CD2 3.78Å; I382-L436 HydrophobicContact CG2-CD2 4.02Å; L387-L436 HydrophobicContact CD1-CD1 4.05Å; L387-L436 HydrophobicContact CD1-CD2 3.88Å; F407-L436 HydrophobicContact CE1-CD1 4.13Å; F407-L436 HydrophobicContact CZ-CD1 3.96Å
437F91.1Very high91.2Very high3 Ų331.5 Ų31.51%0.01316%0.16CC..EExtended strand (participates in β ladder)trans-93.1122159.9-68.5-66000109H333 T336 L358 R359 P360 Y380 I381 K383H333-F437 AromaticContact CE1-CE1 3.5Å; H333-F437 AromaticContact CE1-CZ 3.53Å; H333-F437 AromaticContact ND1-CE1 3.49Å; H333-F437 WeakPolarHBondContact ND1-CE1 3.4Å; H333-F437 AromaticContact ND1-CE2 3.96Å; H333-F437 AromaticContact ND1-CZ 3.09Å; H333-F437 WeakPolarHBondContact ND1-CZ 3.46Å; T336-F437 HydrophobicContact CG2-CD2 4.28Å; T336-F437 HydrophobicContact CG2-CE2 4.09Å; L358-F437 HydrophobicContact CB-CB 4.32Å; L358-F437 HydrophobicContact CB-CD1 4.1Å; L358-F437 HydrophobicContact CB-CG 4.41Å; L358-F437 HydrophobicContact CD1-CB 3.97Å; L358-F437 HydrophobicContact CD1-CD1 4.23Å; L358-F437 HydrophobicContact CD1-CD2 4.21Å; L358-F437 HydrophobicContact CD1-CG 3.9Å; L358-F437 HydrophobicContact CD2-CB 4.04Å; L358-F437 HydrophobicContact CG-CB 4.33Å; R359-F437 WeakPolarHBondContact O-CA 3.48Å; P360-F437 HydrophobicContact CB-CD1 4.32Å; P360-F437 HydrophobicContact CB-CE1 4.13Å; Y380-F437 CarbonylContact C-O 3.57Å; Y380-F437 VanDerWaalsContact CA-O 3.28Å; Y380-F437 WeakPolarHBondContact CA-O 3.49Å; I381-F437 HydrophobicContact CB-CB 4.29Å; I381-F437 PolarHBondContact N-O 3.46Å; I381-F437 PolarHBondContact O-N 3.46Å; K383-F437 HydrophobicContact CB-CD2 4.04Å; K383-F437 HydrophobicContact CB-CE2 3.77Å; K383-F437 HydrophobicContact CD-CE2 3.63Å; K383-F437 HydrophobicContact CD-CZ 3.67Å; K383-F437 HydrophobicContact CG-CE2 3.76Å; K383-F437 HydrophobicContact CG-CZ 4.33Å
438C91.6Very high91Very high0 Ų030.7 Ų30.70%016%0.156CC..EExtended strand (participates in β ladder)trans-90.4131.6172.3170.10000109.7R359 Q361 E378 M379 Y380R359-C438 HydrophobicContact CB-CB 4.34Å; R359-C438 PolarHBondContact N-O 2.93Å; R359-C438 PolarHBondContact O-N 2.98Å; Q361-C438 HydrophobicContact CG-CB 4.1Å; E378-C438 PolarHBondContact OE1-SG 2.94Å; E378-C438 PolarHBondContact OE2-SG 3.28Å; M379-C438 WeakPolarHBondContact O-CA 3.32Å; Y380-C438 HydrophobicContact CD1-CB 3.91Å; Y380-C438 HydrophobicContact CE1-CB 3.74Å
439L90.5Very high90.7Very high1 Ų136.3 Ų36.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-121.5128.2169-177.967.3000108.8L354 K357 L358 E378 M379 D443 L444L354-L439 HydrophobicContact CD2-CD1 4.48Å; L354-L439 HydrophobicContact CD2-CD2 3.79Å; K357-L439 HydrophobicContact CB-CD1 3.87Å; L358-L439 HydrophobicContact CD2-CB 4.03Å; L358-L439 HydrophobicContact CD2-CD1 4.34Å; E378-L439 CarbonylContact C-O 3.46Å; E378-L439 VanDerWaalsContact CA-O 3.31Å; E378-L439 WeakPolarHBondContact CA-O 3.43Å; M379-L439 HydrophobicContact CG-CB 3.77Å; M379-L439 HydrophobicContact CG-CD2 4.25Å; M379-L439 HydrophobicContact CG-CG 4.4Å; M379-L439 PolarHBondContact N-O 3.39Å; M379-L439 PolarHBondContact O-N 3.24Å; M379-L439 HydrophobicContact SD-CB 4.47Å; M379-L439 HydrophobicContact SD-CD2 3.89Å; L439-D443 HydrophobicContact CD1-CB 3.88Å; L439-L444 HydrophobicContact CD2-CB 3.74Å; L439-L444 HydrophobicContact CD2-CD1 3.65Å; L439-L444 HydrophobicContact CD2-CG 4.15Å; L439-L444 HydrophobicContact CG-CB 4.1Å
440S91.6Very high90.3Very high16 Ų1639.5 Ų39.511%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-75.9155.6-179.982.90000111.4D442 D443 L444S440-D442 VanDerWaalsContact C-N 3.3Å; S440-D442 PolarHBondContact O-N 3.47Å; S440-D443 WeakPolarHBondContact CB-OD2 3.4Å; S440-D443 PolarHBondContact O-N 3.36Å; S440-D443 VanDerWaalsContact OG-CB 3.22Å; S440-D443 WeakPolarHBondContact OG-CB 3.37Å; S440-D443 PolarHBondContact OG-N 3.42Å; S440-D443 VanDerWaalsContact OG-N 3.12Å; S440-D443 PolarHBondContact OG-OD2 3.13Å; S440-L444 WeakPolarHBondContact O-CB 3.34Å; S440-L444 PolarHBondContact O-N 3.21Å
441K87.9Confident89.9Confident31 Ų3141.5 Ų41.514%0.13521%0.21CC..Hα-helixtrans-55.7-47.1175-177.1174.2179.3155.10111.5R377 I412 N414 L444 M445R377-K441 WeakPolarHBondContact O-CB 3.26Å; R377-K441 PolarHBondContact O-N 2.94Å; I412-K441 HydrophobicContact CB-CB 4.35Å; I412-K441 HydrophobicContact CB-CG 4.14Å; I412-K441 HydrophobicContact CG2-CB 3.82Å; I412-K441 HydrophobicContact CG2-CG 4.13Å; I412-K441 WeakPolarHBondContact O-CE 3.3Å; I412-K441 PolarHBondContact O-NZ 3.19Å; N414-K441 PolarHBondContact OD1-NZ 3.01Å; K441-L444 PolarHBondContact O-N 2.96Å; K441-M445 HydrophobicContact CG-CG 4.19Å; K441-M445 WeakPolarHBondContact O-CB 3.3Å; K441-M445 WeakPolarHBondContact O-CG 3.46Å; K441-M445 PolarHBondContact O-N 3.18Å
442D89.7Confident89.5Confident124 Ų12441.8 Ų41.866%0.66322%0.216SC*.Hα-helixtrans-66.3-45.7-175-55.9-33.3000110.2S440 L444 M445 E446S440-D442 VanDerWaalsContact C-N 3.3Å; S440-D442 PolarHBondContact O-N 3.47Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 3.25Å; D442-M445 PolarHBondContact O-N 3.2Å; D442-E446 WeakPolarHBondContact O-CB 3.21Å; D442-E446 PolarHBondContact O-N 2.75Å
443D90.6Very high89.2Confident43 Ų4346.4 Ų46.423%0.2324%0.235CC..Hα-helixtrans-59-43177.4-72.2-36.7000112.6K357 L439 S440 S447K357-D443 HydrophobicContact CB-CB 4.09Å; K357-D443 HydrophobicContact CD-CB 3.58Å; K357-D443 HydrophobicContact CG-CB 4.39Å; K357-D443 PolarHBondContact NZ-O 2.94Å; L439-D443 HydrophobicContact CD1-CB 3.88Å; S440-D443 WeakPolarHBondContact CB-OD2 3.4Å; S440-D443 PolarHBondContact O-N 3.36Å; S440-D443 VanDerWaalsContact OG-CB 3.22Å; S440-D443 WeakPolarHBondContact OG-CB 3.37Å; S440-D443 PolarHBondContact OG-N 3.42Å; S440-D443 VanDerWaalsContact OG-N 3.12Å; S440-D443 PolarHBondContact OG-OD2 3.13Å; D443-S447 PolarHBondContact O-N 3.07Å; D443-S447 PolarHBondContact O-OG 2.8Å; D443-S447 VanDerWaalsContact O-OG 3.05Å
444L87.4Confident88.6Confident1 Ų143.6 Ų43.61%0.00523%0.226CC..Hα-helixtrans-69.7-48.117817868.1000111.1L354 M379 I412 L439 S440 K441 D442 E446 S447 L448L354-L444 HydrophobicContact CD2-CD1 3.84Å; M379-L444 HydrophobicContact SD-CD2 3.73Å; I412-L444 HydrophobicContact CD1-CD2 3.24Å; I412-L444 HydrophobicContact CG1-CD2 4.42Å; L439-L444 HydrophobicContact CD2-CB 3.74Å; L439-L444 HydrophobicContact CD2-CD1 3.65Å; L439-L444 HydrophobicContact CD2-CG 4.15Å; L439-L444 HydrophobicContact CG-CB 4.1Å; S440-L444 WeakPolarHBondContact O-CB 3.34Å; S440-L444 PolarHBondContact O-N 3.21Å; K441-L444 PolarHBondContact O-N 2.96Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 3.25Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 2.7Å; L444-S447 PolarHBondContact O-N 3.2Å; L444-S447 VanDerWaalsContact O-N 3.16Å; L444-L448 HydrophobicContact CD1-CD1 3.91Å; L444-L448 HydrophobicContact CD1-CD2 4.38Å; L444-L448 HydrophobicContact CD1-CG 3.91Å; L444-L448 HydrophobicContact CD2-CD1 4.02Å; L444-L448 HydrophobicContact CG-CD1 3.63Å; L444-L448 HydrophobicContact CG-CG 4.02Å; L444-L448 WeakPolarHBondContact O-CB 3.3Å; L444-L448 VanDerWaalsContact O-CG 3.28Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.17Å
445M86.3Confident88.2Confident54 Ų5446.8 Ų46.827%0.26624%0.24SC..Hα-helixtrans-62.6-39.9-176.9-74.5-59.9-59.700111.3K441 D442 S447 L448 I449K441-M445 HydrophobicContact CG-CG 4.19Å; K441-M445 WeakPolarHBondContact O-CB 3.3Å; K441-M445 WeakPolarHBondContact O-CG 3.46Å; K441-M445 PolarHBondContact O-N 3.18Å; D442-M445 PolarHBondContact O-N 3.2Å; M445-S447 PolarHBondContact O-N 3.07Å; M445-L448 PolarHBondContact O-N 3.3Å; M445-L448 HydrophobicContact SD-CD1 4.47Å; M445-I449 VanDerWaalsContact O-CG1 3.32Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 2.89Å; M445-I449 VanDerWaalsContact O-N 3.09Å
446E89.1Confident87.8Confident114 Ų11448.6 Ų48.653%0.53326%0.257SS..Hα-helixtrans-56.9-48.8172.9-175.1-174.8-159.500111.3K357 D442 L444 L448 I449K357-E446 IonicContact NZ-OE2 2.69Å; K357-E446 PolarHBondContact NZ-OE2 3.32Å; D442-E446 WeakPolarHBondContact O-CB 3.21Å; D442-E446 PolarHBondContact O-N 2.75Å; L444-E446 VanDerWaalsContact C-N 3.3Å; L444-E446 PolarHBondContact O-N 2.7Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 PolarHBondContact O-N 3.26Å; E446-I449 PolarHBondContact O-N 2.99Å
447S87.8Confident87.3Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-66.2-37177.7-53.90000111.9K357 D443 L444 M445 I449 E450 Y451K357-S447 PolarHBondContact NZ-OG 2.86Å; K357-S447 VanDerWaalsContact NZ-OG 3.11Å; D443-S447 PolarHBondContact O-N 3.07Å; D443-S447 PolarHBondContact O-OG 2.8Å; D443-S447 VanDerWaalsContact O-OG 3.05Å; L444-S447 PolarHBondContact O-N 3.2Å; L444-S447 VanDerWaalsContact O-N 3.16Å; M445-S447 PolarHBondContact O-N 3.07Å; S447-I449 VanDerWaalsContact C-N 3.28Å; S447-I449 PolarHBondContact O-N 3.14Å; S447-E450 PolarHBondContact O-N 3.05Å; S447-Y451 WeakPolarHBondContact O-CD2 3.26Å
448L86.3Confident86.8Confident1 Ų152.3 Ų52.31%0.00528%0.276CS..Hα-helixtrans-72.4-16.8-179.5-71.6178.2000114.2L350 L413 L444 M445 E446 E450 Y451 A454 K455 L458L350-L448 HydrophobicContact CD2-CD2 4.5Å; L413-L448 HydrophobicContact CD2-CD1 4.36Å; L444-L448 HydrophobicContact CD1-CD1 3.91Å; L444-L448 HydrophobicContact CD1-CD2 4.38Å; L444-L448 HydrophobicContact CD1-CG 3.91Å; L444-L448 HydrophobicContact CD2-CD1 4.02Å; L444-L448 HydrophobicContact CG-CD1 3.63Å; L444-L448 HydrophobicContact CG-CG 4.02Å; L444-L448 WeakPolarHBondContact O-CB 3.3Å; L444-L448 VanDerWaalsContact O-CG 3.28Å; L444-L448 WeakPolarHBondContact O-CG 3.48Å; L444-L448 PolarHBondContact O-N 3.17Å; M445-L448 PolarHBondContact O-N 3.3Å; M445-L448 HydrophobicContact SD-CD1 4.47Å; E446-L448 VanDerWaalsContact C-N 3.35Å; E446-L448 PolarHBondContact O-N 3.26Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-Y451 CarbonylContact O-C 3.53Å; L448-Y451 PolarHBondContact O-N 3.43Å; L448-A454 HydrophobicContact CD2-CB 4.18Å; L448-K455 HydrophobicContact CB-CB 4.13Å; L448-K455 HydrophobicContact CB-CG 4.34Å; L448-K455 HydrophobicContact CD1-CG 4.41Å; L448-K455 HydrophobicContact CD2-CB 4.24Å; L448-L458 HydrophobicContact CD1-CD1 3.92Å; L448-L458 HydrophobicContact CD2-CD1 3.64Å; L448-L458 HydrophobicContact CG-CD1 4.4Å
449I87.3Confident86.3Confident129 Ų12955.6 Ų55.666%0.66229%0.291SS*.Hα-helixtrans-65.3-38172.6-72162.4000110.3M445 E446 S447M445-I449 VanDerWaalsContact O-CG1 3.32Å; M445-I449 WeakPolarHBondContact O-CG1 3.39Å; M445-I449 PolarHBondContact O-N 2.89Å; M445-I449 VanDerWaalsContact O-N 3.09Å; E446-I449 PolarHBondContact O-N 2.99Å; S447-I449 VanDerWaalsContact C-N 3.28Å; S447-I449 PolarHBondContact O-N 3.14Å
450E87.1Confident85.9Confident122 Ų12259.6 Ų59.657%0.5731%0.309SS*.Hα-helixtrans-77.5-23.5179.4-64-176.1-176.300113.1Q353 S447 L448 P452Q353-E450 PolarHBondContact NE2-OE2 3.02Å; S447-E450 PolarHBondContact O-N 3.05Å; L448-E450 VanDerWaalsContact C-N 3.3Å; E450-P452 WeakPolarHBondContact O-CD 3.32Å
451Y87Confident85.3Confident42 Ų4261.8 Ų61.817%0.16532%0.317CS..  trans-123.477.3-176.9-58.9-89.4000111.5E347 G349 L350 S447 L448 D453 A454 K455E347-Y451 HydrophobicContact CB-CD1 4.39Å; E347-Y451 HydrophobicContact CB-CE1 4.34Å; E347-Y451 WeakPolarHBondContact OE2-CD1 3.45Å; E347-Y451 WeakPolarHBondContact OE2-CE1 3.3Å; G349-Y451 VanDerWaalsContact C-OH 3.23Å; G349-Y451 WeakPolarHBondContact CA-OH 3.09Å; L350-Y451 HydrophobicContact CB-CD1 4.03Å; L350-Y451 HydrophobicContact CB-CD2 3.82Å; L350-Y451 HydrophobicContact CB-CE1 4.18Å; L350-Y451 HydrophobicContact CB-CE2 4.02Å; L350-Y451 HydrophobicContact CB-CG 3.85Å; L350-Y451 HydrophobicContact CD1-CD2 3.66Å; L350-Y451 HydrophobicContact CD1-CE2 4.24Å; L350-Y451 HydrophobicContact CD1-CG 4.17Å; L350-Y451 HydrophobicContact CG-CD2 4.26Å; L350-Y451 HydrophobicContact CG-CG 4.4Å; L350-Y451 PolarHBondContact N-OH 3.37Å; S447-Y451 WeakPolarHBondContact O-CD2 3.26Å; L448-Y451 CarbonylContact O-C 3.53Å; L448-Y451 PolarHBondContact O-N 3.43Å; Y451-D453 VanDerWaalsContact C-N 3.34Å; Y451-D453 PolarHBondContact O-N 2.94Å; Y451-A454 PolarHBondContact O-N 3.46Å; Y451-K455 PolarHBondContact O-N 3Å
452P85.5Confident84.8Confident84 Ų8460.3 Ų60.355%0.54531%0.31SS..Hα-helixtrans-64.7-31.8-173.324.9-34.3000113.8E450 K455 A456E450-P452 WeakPolarHBondContact O-CD 3.32Å; P452-K455 WeakPolarHBondContact O-CB 3.3Å; P452-K455 PolarHBondContact O-N 2.91Å; P452-A456 PolarHBondContact O-N 3.14Å
453D84.8Confident84.3Confident123 Ų12359.3 Ų59.366%0.65830%0.298SS*.Hα-helixtrans-65.5-41.3178.5-67.5-17.4000111.7Y451 K455 A456 M457Y451-D453 VanDerWaalsContact C-N 3.34Å; Y451-D453 PolarHBondContact O-N 2.94Å; D453-K455 VanDerWaalsContact C-N 3.32Å; D453-K455 PolarHBondContact O-N 2.82Å; D453-A456 PolarHBondContact O-N 3.05Å; D453-M457 PolarHBondContact O-N 3.24Å
454A82.3Confident83.7Confident9 Ų962.6 Ų62.67%0.07431%0.311CS..Hα-helixtrans-65-3917500000111.3L350 L448 Y451 M457 L458L350-A454 HydrophobicContact CD2-CB 3.4Å; L448-A454 HydrophobicContact CD2-CB 4.18Å; Y451-A454 PolarHBondContact O-N 3.46Å; A454-M457 PolarHBondContact O-N 3.28Å; A454-L458 WeakPolarHBondContact O-CB 3.2Å; A454-L458 PolarHBondContact O-N 2.98Å
455K84.7Confident83.2Confident66 Ų6665 Ų6529%0.28732%0.324SS..Hα-helixtrans-60.2-46.4174.2-174.6-177.3171.3-174.90111.3L448 Y451 P452 D453 M457 L458 E459L448-K455 HydrophobicContact CB-CB 4.13Å; L448-K455 HydrophobicContact CB-CG 4.34Å; L448-K455 HydrophobicContact CD1-CG 4.41Å; L448-K455 HydrophobicContact CD2-CB 4.24Å; Y451-K455 PolarHBondContact O-N 3Å; P452-K455 WeakPolarHBondContact O-CB 3.3Å; P452-K455 PolarHBondContact O-N 2.91Å; D453-K455 VanDerWaalsContact C-N 3.32Å; D453-K455 PolarHBondContact O-N 2.82Å; K455-M457 PolarHBondContact O-N 3.34Å; K455-L458 WeakPolarHBondContact O-CB 3.31Å; K455-L458 PolarHBondContact O-N 3.37Å; K455-E459 WeakPolarHBondContact CE-OE1 3.22Å; K455-E459 WeakPolarHBondContact O-CG 3.49Å; K455-E459 PolarHBondContact O-N 3.45Å
456A83.6Confident82.7Confident56 Ų5662.4 Ų62.446%0.46331%0.311SS..Hα-helixtrans-61.2-43.4178.300000112P452 D453 L458 E459 E460P452-A456 PolarHBondContact O-N 3.14Å; D453-A456 PolarHBondContact O-N 3.05Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 3.29Å; A456-E459 PolarHBondContact O-N 3.17Å; A456-E460 WeakPolarHBondContact O-CB 3.48Å; A456-E460 PolarHBondContact O-N 2.98Å
457M81.8Confident82.2Confident82 Ų8261.3 Ų61.340%0.40431%0.307SS..Hα-helixtrans-62.3-40.7175.3-73.2-149.2-68.500112.9D345 D453 A454 K455 K461D345-M457 HydrophobicContact CB-CE 4.07Å; D453-M457 PolarHBondContact O-N 3.24Å; A454-M457 PolarHBondContact O-N 3.28Å; K455-M457 PolarHBondContact O-N 3.34Å; M457-K461 VanDerWaalsContact O-CB 3.32Å; M457-K461 WeakPolarHBondContact O-CB 3.21Å; M457-K461 PolarHBondContact O-N 3Å
458L79.6Confident81.6Confident1 Ų170 Ų701%0.00535%0.345CS..Hα-helixtrans-62.3-47.8175.7-94.9149000111.8I342 F343 L413 L448 A454 K455 A456 K461 G462I342-L458 HydrophobicContact CD1-CB 4.45Å; I342-L458 HydrophobicContact CD1-CD2 3.22Å; I342-L458 HydrophobicContact CD1-CG 3.6Å; I342-L458 HydrophobicContact CG1-CD2 4.06Å; I342-L458 HydrophobicContact CG1-CG 3.99Å; F343-L458 HydrophobicContact CE1-CD1 4.31Å; L413-L458 HydrophobicContact CD1-CB 3.89Å; L413-L458 HydrophobicContact CD1-CD2 4.1Å; L413-L458 WeakPolarHBondContact CD1-O 3.19Å; L413-L458 HydrophobicContact CD2-CB 4.22Å; L448-L458 HydrophobicContact CD1-CD1 3.92Å; L448-L458 HydrophobicContact CD2-CD1 3.64Å; L448-L458 HydrophobicContact CG-CD1 4.4Å; A454-L458 WeakPolarHBondContact O-CB 3.2Å; A454-L458 PolarHBondContact O-N 2.98Å; K455-L458 WeakPolarHBondContact O-CB 3.31Å; K455-L458 PolarHBondContact O-N 3.37Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 3.29Å; L458-K461 PolarHBondContact O-N 3.48Å; L458-G462 PolarHBondContact O-N 3Å
459E81.8Confident80.8Confident68 Ų6874.1 Ų74.132%0.31837%0.367SS..Hα-helixtrans-64.7-43.2178.9-73.6-178.8179.100112.4L413 K455 A456 G462 R463L413-E459 HydrophobicContact CD2-CG 4.25Å; K455-E459 WeakPolarHBondContact CE-OE1 3.22Å; K455-E459 WeakPolarHBondContact O-CG 3.49Å; K455-E459 PolarHBondContact O-N 3.45Å; A456-E459 PolarHBondContact O-N 3.17Å; E459-G462 PolarHBondContact O-N 3.33Å; E459-R463 WeakPolarHBondContact O-CB 3.1Å; E459-R463 PolarHBondContact O-N 3.38Å
460E82Confident80Confident85 Ų8570.3 Ų70.340%0.39736%0.36SS..Hα-helixtrans-63.4-44.3178178.153-149.200111.3A456 G462 R463 Q464A456-E460 WeakPolarHBondContact O-CB 3.48Å; A456-E460 PolarHBondContact O-N 2.98Å; E460-G462 PolarHBondContact O-N 3.23Å; E460-R463 WeakPolarHBondContact O-CB 3.26Å; E460-R463 PolarHBondContact O-N 3.46Å; E460-Q464 WeakPolarHBondContact O-CG 3.48Å; E460-Q464 PolarHBondContact O-N 2.93Å; E460-Q464 PolarHBondContact OE1-NE2 3.37Å
461K78.8Confident79.1Confident62 Ų6266.9 Ų66.927%0.2735%0.345SS..Hα-helixtrans-66.5-40.3177.5-163164.4-176.8-171.20112I342 Y406 M457 L458 R463 Q464 I465I342-K461 HydrophobicContact CD1-CD 4.11Å; I342-K461 HydrophobicContact CG1-CD 4.33Å; Y406-K461 WeakPolarHBondContact OH-CD 3.4Å; Y406-K461 WeakPolarHBondContact OH-CE 3.25Å; Y406-K461 PolarHBondContact OH-NZ 3.35Å; M457-K461 VanDerWaalsContact O-CB 3.32Å; M457-K461 WeakPolarHBondContact O-CB 3.21Å; M457-K461 PolarHBondContact O-N 3Å; L458-K461 PolarHBondContact O-N 3.48Å; K461-R463 VanDerWaalsContact C-N 3.3Å; K461-R463 PolarHBondContact O-N 2.76Å; K461-Q464 PolarHBondContact O-N 2.92Å; K461-I465 WeakPolarHBondContact O-CG1 3.3Å; K461-I465 PolarHBondContact O-N 2.98Å
462G77.3Confident78.2Confident0 Ų065.9 Ų65.90%034%0.342CS..Hα-helixtrans-60.9-39.117200000112.3L458 E459 E460 I465 L466L458-G462 PolarHBondContact O-N 3Å; E459-G462 PolarHBondContact O-N 3.33Å; E460-G462 PolarHBondContact O-N 3.23Å; G462-I465 PolarHBondContact O-N 3.04Å; G462-L466 WeakPolarHBondContact O-CB 3.44Å; G462-L466 WeakPolarHBondContact O-CG 3.4Å; G462-L466 PolarHBondContact O-N 3.06Å
463R79Confident77.2Confident104 Ų10464.1 Ų64.139%0.39233%0.328SS..Hα-helixtrans-64.1-44.7176.2-173-177.6-76.7179.5-2.1112E459 E460 K461 I465 L466 M467 I472E459-R463 WeakPolarHBondContact O-CB 3.1Å; E459-R463 PolarHBondContact O-N 3.38Å; E460-R463 WeakPolarHBondContact O-CB 3.26Å; E460-R463 PolarHBondContact O-N 3.46Å; K461-R463 VanDerWaalsContact C-N 3.3Å; K461-R463 PolarHBondContact O-N 2.76Å; R463-I465 VanDerWaalsContact C-N 3.31Å; R463-I465 PolarHBondContact O-N 3.4Å; R463-L466 PolarHBondContact O-N 2.89Å; R463-M467 HydrophobicContact CG-CE 3.92Å; R463-M467 HydrophobicContact CG-SD 4.32Å; R463-M467 WeakPolarHBondContact O-CB 3.34Å; R463-M467 WeakPolarHBondContact O-CG 3.36Å; R463-M467 PolarHBondContact O-N 2.99Å; R463-I472 HydrophobicContact CB-CD1 4.24Å; R463-I472 HydrophobicContact CG-CD1 3.6Å; R463-I472 WeakPolarHBondContact O-CD1 3.27Å
464Q79.6Confident76.3Confident111 Ų11164.2 Ų64.252%0.51933%0.328SS..Hα-helixtrans-60.2-40.4177.3-72.117410.900112.4E460 K461 K468E460-Q464 WeakPolarHBondContact O-CG 3.48Å; E460-Q464 PolarHBondContact O-N 2.93Å; E460-Q464 PolarHBondContact OE1-NE2 3.37Å; K461-Q464 PolarHBondContact O-N 2.92Å; Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.07Å
465I76.2Confident75Confident52 Ų5268.6 Ų68.627%0.26735%0.35SS..Hα-helixtrans-67.6-46.7177.5-60.3166.3000110.3E409 I410 K461 G462 R463 M467 K468 D469E409-I465 WeakPolarHBondContact OE1-CD1 3.43Å; I410-I465 HydrophobicContact CD1-CB 4.09Å; I410-I465 HydrophobicContact CD1-CG2 3.63Å; K461-I465 WeakPolarHBondContact O-CG1 3.3Å; K461-I465 PolarHBondContact O-N 2.98Å; G462-I465 PolarHBondContact O-N 3.04Å; R463-I465 VanDerWaalsContact C-N 3.31Å; R463-I465 PolarHBondContact O-N 3.4Å; I465-M467 VanDerWaalsContact C-N 3.32Å; I465-M467 PolarHBondContact O-N 3.13Å; I465-K468 WeakPolarHBondContact O-CB 3.41Å; I465-K468 PolarHBondContact O-N 3.23Å; I465-D469 PolarHBondContact O-N 2.68Å
466L76.1Confident73.7Confident0 Ų070.7 Ų70.70%037%0.371CS..Hα-helixtrans-62.5-35.6177.1-79171000113.2I410 I415 G462 R463 D469 G470 L471 I472I410-L466 HydrophobicContact CG2-CD1 3.82Å; I410-L466 HydrophobicContact CG2-CD2 3.66Å; I410-L466 HydrophobicContact CG2-CG 3.69Å; I415-L466 HydrophobicContact CB-CD1 4.23Å; I415-L466 HydrophobicContact CD1-CD1 3.79Å; I415-L466 HydrophobicContact CG2-CD1 4.19Å; G462-L466 WeakPolarHBondContact O-CB 3.44Å; G462-L466 WeakPolarHBondContact O-CG 3.4Å; G462-L466 PolarHBondContact O-N 3.06Å; R463-L466 PolarHBondContact O-N 2.89Å; L466-D469 PolarHBondContact O-N 3Å; L466-G470 PolarHBondContact O-N 2.82Å; L466-G470 VanDerWaalsContact O-N 3.14Å; L466-L471 HydrophobicContact CD2-CB 3.63Å; L466-L471 HydrophobicContact CD2-CD1 4.49Å; L466-L471 PolarHBondContact O-N 2.95Å; L466-I472 HydrophobicContact CB-CB 4.47Å; L466-I472 HydrophobicContact CB-CD1 3.26Å; L466-I472 HydrophobicContact CB-CG1 3.59Å; L466-I472 HydrophobicContact CD1-CD1 3.83Å; L466-I472 HydrophobicContact CD1-CG1 3.94Å; L466-I472 HydrophobicContact CG-CD1 4.2Å; L466-I472 HydrophobicContact CG-CG1 4.35Å
467M77.9Confident72.3Confident91 Ų9172.8 Ų72.845%0.44839%0.388SS..Hα-helixtrans-64.6-44.8173.8-79.6175.8172.600111.3R463 I465 D469 G470 I472 L474R463-M467 HydrophobicContact CG-CE 3.92Å; R463-M467 HydrophobicContact CG-SD 4.32Å; R463-M467 WeakPolarHBondContact O-CB 3.34Å; R463-M467 WeakPolarHBondContact O-CG 3.36Å; R463-M467 PolarHBondContact O-N 2.99Å; I465-M467 VanDerWaalsContact C-N 3.32Å; I465-M467 PolarHBondContact O-N 3.13Å; M467-D469 PolarHBondContact O-N 2.64Å; M467-G470 PolarHBondContact O-N 2.7Å; M467-G470 VanDerWaalsContact O-N 3.14Å; M467-I472 HydrophobicContact CG-CD1 4.12Å; M467-L474 HydrophobicContact CE-CD2 3.7Å
468K75.5Confident70.9Confident182 Ų18274.3 Ų74.379%0.79140%0.397SS*.Hα-helixtrans-59.7-36.2176.9-175.3-177.3175.4-173.80112Q464 I465Q464-K468 PolarHBondContact O-N 3.04Å; Q464-K468 VanDerWaalsContact O-N 3.07Å; I465-K468 WeakPolarHBondContact O-CB 3.41Å; I465-K468 PolarHBondContact O-N 3.23Å
469D70.2Confident69.8Low87 Ų8777.1 Ų77.147%0.46541%0.412SS..THydrogen-bonded Turntrans-89.42.4-179.2-64.9-11.4000113.3I465 L466 M467 L471I465-D469 PolarHBondContact O-N 2.68Å; L466-D469 PolarHBondContact O-N 3Å; M467-D469 PolarHBondContact O-N 2.64Å; D469-L471 HydrophobicContact CB-CD1 3.8Å; D469-L471 HydrophobicContact CB-CG 4.38Å; D469-L471 PolarHBondContact O-N 3.2Å
470G69.6Low68.6Low50 Ų5079.4 Ų79.452%0.51542%0.421SS..THydrogen-bonded Turntrans66.820.2179.600000114.7L466 M467L466-G470 PolarHBondContact O-N 2.82Å; L466-G470 VanDerWaalsContact O-N 3.14Å; M467-G470 PolarHBondContact O-N 2.7Å; M467-G470 VanDerWaalsContact O-N 3.14Å
471L68.8Low67.4Low49 Ų4979.1 Ų79.126%0.25743%0.426SS..  trans-98.48-173-78.7160000113.9K419 T425 L466 D469K419-L471 HydrophobicContact CB-CD2 4.33Å; K419-L471 WeakPolarHBondContact CB-O 3.15Å; K419-L471 PolarHBondContact N-O 2.79Å; T425-L471 HydrophobicContact CG2-CD1 4.01Å; L466-L471 HydrophobicContact CD2-CB 3.63Å; L466-L471 HydrophobicContact CD2-CD1 4.49Å; L466-L471 PolarHBondContact O-N 2.95Å; D469-L471 HydrophobicContact CB-CD1 3.8Å; D469-L471 HydrophobicContact CB-CG 4.38Å; D469-L471 PolarHBondContact O-N 3.2Å
472I67.9Low66.3Low21 Ų2182.2 Ų82.211%0.10844%0.442CS..BIsolated β-bridgetrans-108.8132.7172.4-89.7163.2000110.4R463 L466 M467 L474R463-I472 HydrophobicContact CB-CD1 4.24Å; R463-I472 HydrophobicContact CG-CD1 3.6Å; R463-I472 WeakPolarHBondContact O-CD1 3.27Å; L466-I472 HydrophobicContact CB-CB 4.47Å; L466-I472 HydrophobicContact CB-CD1 3.26Å; L466-I472 HydrophobicContact CB-CG1 3.59Å; L466-I472 HydrophobicContact CD1-CD1 3.83Å; L466-I472 HydrophobicContact CD1-CG1 3.94Å; L466-I472 HydrophobicContact CG-CD1 4.2Å; L466-I472 HydrophobicContact CG-CG1 4.35Å; M467-I472 HydrophobicContact CG-CD1 4.12Å; I472-L474 HydrophobicContact CG2-CD2 3.84Å; I472-L474 HydrophobicContact CG2-CG 4.02Å
473D64.4Low65.4Low47 Ų4786.9 Ų86.925%0.25147%0.47SS..  trans-82.5116163.1-75.6-45.6000109.6G417 K419G417-D473 PolarHBondContact O-N 3.12Å; K419-D473 WeakPolarHBondContact CE-OD1 3.23Å; K419-D473 WeakPolarHBondContact CE-OD2 3.26Å; K419-D473 WeakPolarHBondContact CG-OD2 3.49Å; K419-D473 IonicContact NZ-OD1 2.66Å; K419-D473 PolarHBondContact NZ-OD1 2.91Å
474L64.8Low64.5Low126 Ų12688.1 Ų88.166%0.6648%0.478SS*.  trans-86.3-12.2178.5-67164.3000112.5M467 I472 P476M467-L474 HydrophobicContact CE-CD2 3.7Å; I472-L474 HydrophobicContact CG2-CD2 3.84Å; I472-L474 HydrophobicContact CG2-CG 4.02Å; L474-P476 WeakPolarHBondContact O-CD 3.36Å
475D56.3Low63.8Low101 Ų10186.7 Ų86.754%0.5447%0.471SS..  trans-78.6114.9-177.7-74.6-34.3000111.3A477 N478D475-A477 PolarHBondContact O-N 3.25Å; D475-N478 PolarHBondContact O-N 3.16Å; D475-N478 VanDerWaalsContact O-N 3.11Å
476P56.8Low63.5Low110 Ų11089.7 Ų89.771%0.71449%0.487SS*.THydrogen-bonded Turntrans-59.9-22.6-179.5-19.430000113.7L474L474-P476 WeakPolarHBondContact O-CD 3.36Å
477A54.1Low63.4Low99 Ų9994.9 Ų94.982%0.81851%0.512SS*.THydrogen-bonded Turntrans-72.9-25179.900000113.8D475D475-A477 PolarHBondContact O-N 3.25Å
478N53.2Low63.3Low114 Ų11495.7 Ų95.761%0.6151%0.514SS*.THydrogen-bonded Turntrans-95-9.5177.9-80.8-23.3000113D475 K480D475-N478 PolarHBondContact O-N 3.16Å; D475-N478 VanDerWaalsContact O-N 3.11Å; N478-K480 PolarHBondContact O-N 3.33Å
479I55.8Low63.3Low61 Ų6192.4 Ų92.431%0.31350%0.5SS..SBendtrans-84.297.9174.7-57.9173000107.4
480K55.7Low63.8Low116 Ų11691.2 Ų91.250%0.50450%0.496SS..  trans-58.5127.5174.3-76.1-171.8173-168.50109.4N478 E488N478-K480 PolarHBondContact O-N 3.33Å; K480-E488 IonicContact NZ-OE1 3.08Å; K480-E488 PolarHBondContact NZ-OE1 2.8Å; K480-E488 VanDerWaalsContact NZ-OE1 3.08Å; K480-E488 IonicContact NZ-OE2 2.78Å; K480-E488 PolarHBondContact NZ-OE2 3.37Å
481P57.5Low64.5Low79 Ų7993.2 Ų93.251%0.51350%0.498SS..  trans-64.9141174.323.3-29.4000110.4V483 K484 E485P481-V483 PolarHBondContact O-N 3.04Å; P481-K484 HydrophobicContact CG-CB 4.3Å; P481-K484 HydrophobicContact CG-CD 4.34Å; P481-K484 PolarHBondContact O-N 3.39Å; P481-E485 PolarHBondContact O-N 3.46Å
482E55.4Low65.3Low127 Ų12798 Ų9859%0.59352%0.517SS*.Hα-helixtrans-49-36-175.8-104.1166.1159.400113.2K416 E485 L486K416-E482 IonicContact NZ-OE1 3.73Å; K416-E482 IonicContact NZ-OE2 2.73Å; K416-E482 PolarHBondContact NZ-OE2 2.91Å; E482-E485 PolarHBondContact O-N 3.37Å; E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.14Å; E482-L486 PolarHBondContact O-N 3.06Å
483V58.9Low65.9Low97 Ų97102.6 Ų102.659%0.58854%0.541SS*.Hα-helixtrans-63-44.8-179.9-173.90000111.6P481 E485 L486 E487P481-V483 PolarHBondContact O-N 3.04Å; V483-E485 PolarHBondContact O-N 3.12Å; V483-L486 PolarHBondContact O-N 3.36Å; V483-E487 WeakPolarHBondContact O-CB 3.35Å; V483-E487 VanDerWaalsContact O-CG 3.29Å; V483-E487 WeakPolarHBondContact O-CG 3.31Å; V483-E487 PolarHBondContact O-N 3.3Å
484K60.7Low67.1Low131 Ų131107.3 Ų107.357%0.5756%0.557SS**Hα-helixtrans-69.1-35.2178.7-95.7-177.8172.8176.50112.9P481 E488P481-K484 HydrophobicContact CG-CB 4.3Å; P481-K484 HydrophobicContact CG-CD 4.34Å; P481-K484 PolarHBondContact O-N 3.39Å; K484-E488 PolarHBondContact O-N 3.21Å
485E64.6Low68.2Low80 Ų80104.2 Ų104.237%0.37455%0.546SS..Hα-helixtrans-73.7-33.3178-149.6-163.8142.500111.5P481 E482 V483 K489P481-E485 PolarHBondContact O-N 3.46Å; E482-E485 PolarHBondContact O-N 3.37Å; V483-E485 PolarHBondContact O-N 3.12Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 3.04Å; E485-K489 VanDerWaalsContact O-N 3.13Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.42Å
486L69.2Low69.6Low115 Ų115102.6 Ų102.660%0.60254%0.539SS*.Hα-helixtrans-68.4-46.2173.3-168.168.9000110.8E482 V483 K489 V490E482-L486 VanDerWaalsContact O-CB 3.3Å; E482-L486 WeakPolarHBondContact O-CB 3.14Å; E482-L486 PolarHBondContact O-N 3.06Å; V483-L486 PolarHBondContact O-N 3.36Å; L486-K489 PolarHBondContact O-N 3.42Å; L486-V490 WeakPolarHBondContact O-CB 3.39Å; L486-V490 WeakPolarHBondContact O-CG2 3.45Å; L486-V490 PolarHBondContact O-N 3.14Å
487E75.1Confident71.1Confident110 Ų110101.7 Ų101.751%0.51453%0.527SS..Hα-helixtrans-55.6-52.2173.2-76.2170.1179.100111.3V483 K489 V490 T491V483-E487 WeakPolarHBondContact O-CB 3.35Å; V483-E487 VanDerWaalsContact O-CG 3.29Å; V483-E487 WeakPolarHBondContact O-CG 3.31Å; V483-E487 PolarHBondContact O-N 3.3Å; E487-K489 VanDerWaalsContact C-N 3.29Å; E487-K489 PolarHBondContact O-N 2.88Å; E487-V490 WeakPolarHBondContact O-CB 3.4Å; E487-V490 PolarHBondContact O-N 3.04Å; E487-V490 VanDerWaalsContact O-N 3.09Å; E487-T491 PolarHBondContact O-N 3.27Å; E487-T491 PolarHBondContact O-OG1 3.22Å
488E75.4Confident72.8Confident107 Ų107103 Ų10350%0.552%0.516SS..Hα-helixtrans-57.1-38.8177.3-84.4-180165.400112.8K480 K484 K492K480-E488 IonicContact NZ-OE1 3.08Å; K480-E488 PolarHBondContact NZ-OE1 2.8Å; K480-E488 VanDerWaalsContact NZ-OE1 3.08Å; K480-E488 IonicContact NZ-OE2 2.78Å; K480-E488 PolarHBondContact NZ-OE2 3.37Å; K484-E488 PolarHBondContact O-N 3.21Å; E488-K492 VanDerWaalsContact O-CB 3.32Å; E488-K492 WeakPolarHBondContact O-CB 3.29Å; E488-K492 PolarHBondContact O-N 3Å
489K74.8Confident74.6Confident113 Ų113102.5 Ų102.549%0.49151%0.513SS..Hα-helixtrans-68.5-39.8176.8-78172.5-170.7158.10111.9E485 L486 E487 K492 L493E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 3.04Å; E485-K489 VanDerWaalsContact O-N 3.13Å; E485-K489 WeakPolarHBondContact OE1-CE 3.35Å; E485-K489 IonicContact OE1-NZ 2.82Å; E485-K489 PolarHBondContact OE1-NZ 3.42Å; L486-K489 PolarHBondContact O-N 3.42Å; E487-K489 VanDerWaalsContact C-N 3.29Å; E487-K489 PolarHBondContact O-N 2.88Å; K489-K492 PolarHBondContact O-N 3.49Å; K489-L493 PolarHBondContact O-N 3.29Å
490V81.3Confident75.8Confident63 Ų63105.6 Ų105.638%0.38253%0.527SS..Hα-helixtrans-64.3-48.4176.9170.80000110L486 E487 K492 L493 Y494L486-V490 WeakPolarHBondContact O-CB 3.39Å; L486-V490 WeakPolarHBondContact O-CG2 3.45Å; L486-V490 PolarHBondContact O-N 3.14Å; E487-V490 WeakPolarHBondContact O-CB 3.4Å; E487-V490 PolarHBondContact O-N 3.04Å; E487-V490 VanDerWaalsContact O-N 3.09Å; V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.5Å; V490-L493 WeakPolarHBondContact O-CB 3.23Å; V490-L493 PolarHBondContact O-N 3.44Å; V490-L493 VanDerWaalsContact O-N 3.07Å; V490-Y494 HydrophobicContact CG1-CD2 3.68Å; V490-Y494 HydrophobicContact CG1-CE2 3.43Å; V490-Y494 VanDerWaalsContact CG1-CE2 3.43Å; V490-Y494 WeakPolarHBondContact O-CD2 3.37Å; V490-Y494 PolarHBondContact O-N 2.86Å
491T84.3Confident77.4Confident92 Ų92105.6 Ų105.656%0.56453%0.529SS*.Hα-helixtrans-61.2-37.3177-31.30000112E487 Y494 S495E487-T491 PolarHBondContact O-N 3.27Å; E487-T491 PolarHBondContact O-OG1 3.22Å; T491-Y494 PolarHBondContact O-N 3.49Å; T491-S495 PolarHBondContact O-N 2.91Å; T491-S495 PolarHBondContact O-OG 2.95Å
492K84.3Confident78.9Confident148 Ų148106.5 Ų106.564%0.64353%0.533SS*.Hα-helixtrans-66.8-38.5175.1-163.9173.8-174.7175.60112.3E488 K489 V490 S495 T496E488-K492 VanDerWaalsContact O-CB 3.32Å; E488-K492 WeakPolarHBondContact O-CB 3.29Å; E488-K492 PolarHBondContact O-N 3Å; K489-K492 PolarHBondContact O-N 3.49Å; V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.5Å; K492-S495 WeakPolarHBondContact CA-OG 3.41Å; K492-S495 PolarHBondContact O-OG 3.09Å; K492-T496 WeakPolarHBondContact O-CG2 3.2Å; K492-T496 PolarHBondContact O-N 3.36Å; K492-T496 PolarHBondContact O-OG1 2.94Å
493L82.5Confident80.5Confident119 Ų119106.6 Ų106.662%0.62353%0.531SS*.Hα-helixtrans-63.4-47173.8-83.3163.2000111.5K489 V490 S495 T496 M497K489-L493 PolarHBondContact O-N 3.29Å; V490-L493 WeakPolarHBondContact O-CB 3.23Å; V490-L493 PolarHBondContact O-N 3.44Å; V490-L493 VanDerWaalsContact O-N 3.07Å; L493-S495 PolarHBondContact O-N 3.09Å; L493-T496 WeakPolarHBondContact CA-OG1 3.36Å; L493-T496 PolarHBondContact O-N 2.93Å; L493-T496 PolarHBondContact O-OG1 3.45Å; L493-M497 WeakPolarHBondContact O-CB 3.38Å; L493-M497 PolarHBondContact O-N 3.49Å
494Y88.4Confident81.8Confident146 Ų146107.5 Ų107.557%0.57353%0.532SS*.Hα-helixtrans-56.2-49.5176.7-83.5-72000112.3V490 T491 T496 M497 E498V490-Y494 HydrophobicContact CG1-CD2 3.68Å; V490-Y494 HydrophobicContact CG1-CE2 3.43Å; V490-Y494 VanDerWaalsContact CG1-CE2 3.43Å; V490-Y494 WeakPolarHBondContact O-CD2 3.37Å; V490-Y494 PolarHBondContact O-N 2.86Å; T491-Y494 PolarHBondContact O-N 3.49Å; Y494-T496 VanDerWaalsContact C-N 3.34Å; Y494-T496 PolarHBondContact O-N 3.15Å; Y494-M497 HydrophobicContact CD1-CE 4.02Å; Y494-M497 HydrophobicContact CE1-CE 4.32Å; Y494-M497 WeakPolarHBondContact O-CB 3.38Å; Y494-M497 PolarHBondContact O-N 2.81Å; Y494-M497 VanDerWaalsContact O-N 3.12Å; Y494-E498 PolarHBondContact O-N 3.02Å
495S87.8Confident83.1Confident61 Ų61109.4 Ų109.443%0.42754%0.541SS..Hα-helixtrans-63.3-35.7177.356.10000113.7T491 K492 L493 M497 L499T491-S495 PolarHBondContact O-N 2.91Å; T491-S495 PolarHBondContact O-OG 2.95Å; K492-S495 WeakPolarHBondContact CA-OG 3.41Å; K492-S495 PolarHBondContact O-OG 3.09Å; L493-S495 PolarHBondContact O-N 3.09Å; S495-M497 VanDerWaalsContact C-N 3.34Å; S495-L499 PolarHBondContact O-N 2.98Å; S495-L499 VanDerWaalsContact O-N 3.13Å
496T86.5Confident84.2Confident67 Ų67112.7 Ų112.741%0.41155%0.554SS.*Hα-helixtrans-69.2-33.5173.753.30000112.9K492 L493 Y494 L499 M500K492-T496 WeakPolarHBondContact O-CG2 3.2Å; K492-T496 PolarHBondContact O-N 3.36Å; K492-T496 PolarHBondContact O-OG1 2.94Å; L493-T496 WeakPolarHBondContact CA-OG1 3.36Å; L493-T496 PolarHBondContact O-N 2.93Å; L493-T496 PolarHBondContact O-OG1 3.45Å; Y494-T496 VanDerWaalsContact C-N 3.34Å; Y494-T496 PolarHBondContact O-N 3.15Å; T496-L499 PolarHBondContact O-N 3.45Å; T496-M500 WeakPolarHBondContact O-CG 3.36Å; T496-M500 PolarHBondContact O-N 2.95Å
497M86.9Confident85.1Confident91 Ų91112.9 Ų112.945%0.44855%0.554SS.*Hα-helixtrans-67.5-45.2177.1-173.3178.177.200111.1L493 Y494 S495 L499 M500 Q501L493-M497 WeakPolarHBondContact O-CB 3.38Å; L493-M497 PolarHBondContact O-N 3.49Å; Y494-M497 HydrophobicContact CD1-CE 4.02Å; Y494-M497 HydrophobicContact CE1-CE 4.32Å; Y494-M497 WeakPolarHBondContact O-CB 3.38Å; Y494-M497 PolarHBondContact O-N 2.81Å; Y494-M497 VanDerWaalsContact O-N 3.12Å; S495-M497 VanDerWaalsContact C-N 3.34Å; M497-L499 VanDerWaalsContact C-N 3.33Å; M497-L499 PolarHBondContact O-N 2.58Å; M497-M500 PolarHBondContact O-N 3.47Å; M497-Q501 PolarHBondContact O-N 3.42Å
498E90.4Very high85.6Confident127 Ų127112.2 Ų112.259%0.59355%0.553SS**Hα-helixtrans-57.7-45.4172.7-77.1-176.2158.300111.6Y494 M500 Q501 V502Y494-E498 PolarHBondContact O-N 3.02Å; E498-M500 VanDerWaalsContact C-N 3.29Å; E498-M500 PolarHBondContact O-N 3.31Å; E498-Q501 PolarHBondContact O-N 2.87Å; E498-V502 WeakPolarHBondContact O-CG2 3.32Å; E498-V502 PolarHBondContact O-N 3.47Å
499L90.3Very high86.1Confident103 Ų103108.9 Ų108.954%0.53955%0.548SS..Hα-helixtrans-62-37.9178-161.899.8000112S495 T496 M497 K503S495-L499 PolarHBondContact O-N 2.98Å; S495-L499 VanDerWaalsContact O-N 3.13Å; T496-L499 PolarHBondContact O-N 3.45Å; M497-L499 VanDerWaalsContact C-N 3.33Å; M497-L499 PolarHBondContact O-N 2.58Å; L499-K503 WeakPolarHBondContact O-CG 3.17Å; L499-K503 PolarHBondContact O-N 3.49Å; L499-K503 VanDerWaalsContact O-N 3.08Å
500M82Confident86.7Confident125 Ų125108 Ų10862%0.61655%0.549SS*.Hα-helixtrans-66.9-42.9174.4-78.8-156.4-6900111.9T496 M497 E498 V502 K503 L504T496-M500 WeakPolarHBondContact O-CG 3.36Å; T496-M500 PolarHBondContact O-N 2.95Å; M497-M500 PolarHBondContact O-N 3.47Å; E498-M500 VanDerWaalsContact C-N 3.29Å; E498-M500 PolarHBondContact O-N 3.31Å; M500-V502 VanDerWaalsContact C-N 3.33Å; M500-V502 PolarHBondContact O-N 2.84Å; M500-K503 PolarHBondContact O-N 3.42Å; M500-L504 WeakPolarHBondContact O-CB 3.14Å; M500-L504 PolarHBondContact O-N 3.21Å
501Q88.8Confident86.8Confident116 Ų116113.9 Ų113.954%0.54257%0.565SS.*Hα-helixtrans-59.9-42.7176.2-77.2179.4-33.200111.9M497 E498 L504 K505M497-Q501 PolarHBondContact O-N 3.42Å; E498-Q501 PolarHBondContact O-N 2.87Å; Q501-L504 PolarHBondContact O-N 3.17Å; Q501-K505 PolarHBondContact O-N 2.89Å
502V90Very high86.8Confident99 Ų99116.5 Ų116.560%0.657%0.569SS**Hα-helixtrans-63.1-43.9175.8173.20000111.4E498 M500 L504 K505 K506E498-V502 WeakPolarHBondContact O-CG2 3.32Å; E498-V502 PolarHBondContact O-N 3.47Å; M500-V502 VanDerWaalsContact C-N 3.33Å; M500-V502 PolarHBondContact O-N 2.84Å; V502-L504 VanDerWaalsContact C-N 3.32Å; V502-L504 PolarHBondContact O-N 3.22Å; V502-K505 PolarHBondContact O-N 3.16Å; V502-K506 WeakPolarHBondContact O-CB 3.22Å; V502-K506 PolarHBondContact O-N 2.78Å
503K87.8Confident86.7Confident128 Ų128116 Ų11656%0.55757%0.569SS**Hα-helixtrans-62.5-39.9175.5-77.3-179.7178.5-178.60111.9L499 M500 K506 I507L499-K503 WeakPolarHBondContact O-CG 3.17Å; L499-K503 PolarHBondContact O-N 3.49Å; L499-K503 VanDerWaalsContact O-N 3.08Å; M500-K503 PolarHBondContact O-N 3.42Å; K503-K506 PolarHBondContact O-N 3.5Å; K503-I507 WeakPolarHBondContact O-CG1 3.28Å; K503-I507 PolarHBondContact O-N 3.19Å
504L86.8Confident86.7Confident117 Ų117114.6 Ų114.661%0.61357%0.565SS**Hα-helixtrans-67.1-45.1179.9-154.4126.4000111.1M500 Q501 V502 K506 I507 L508M500-L504 WeakPolarHBondContact O-CB 3.14Å; M500-L504 PolarHBondContact O-N 3.21Å; Q501-L504 PolarHBondContact O-N 3.17Å; V502-L504 VanDerWaalsContact C-N 3.32Å; V502-L504 PolarHBondContact O-N 3.22Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.02Å; L504-I507 PolarHBondContact O-N 3.45Å; L504-L508 HydrophobicContact CD2-CD1 4.43Å; L504-L508 WeakPolarHBondContact O-CB 3.17Å; L504-L508 PolarHBondContact O-N 3.47Å
505K87.5Confident86.5Confident170 Ų170108.7 Ų108.774%0.73955%0.548SS*.Hα-helixtrans-55.9-42.8171.5-78-174.5177.4-177.20111.8Q501 V502 L508 G509Q501-K505 PolarHBondContact O-N 2.89Å; V502-K505 PolarHBondContact O-N 3.16Å; K505-L508 PolarHBondContact O-N 3.47Å; K505-G509 PolarHBondContact O-N 2.97Å
506K88Confident86.2Confident150 Ų150113.1 Ų113.165%0.65256%0.56SS**Hα-helixtrans-65.4-41.8178.1-168.7175.2-175.7174.30112.6V502 K503 L504 G509 N510V502-K506 WeakPolarHBondContact O-CB 3.22Å; V502-K506 PolarHBondContact O-N 2.78Å; K503-K506 PolarHBondContact O-N 3.5Å; L504-K506 VanDerWaalsContact C-N 3.29Å; L504-K506 PolarHBondContact O-N 3.02Å; K506-G509 PolarHBondContact O-N 3.19Å; K506-N510 PolarHBondContact O-N 3.34Å
507I87.9Confident86.1Confident119 Ų119111.7 Ų111.761%0.6156%0.555SS**Hα-helixtrans-65.2-43.3176.1-70.4169.7000110.6K503 L504 G509 N510 Y511K503-I507 WeakPolarHBondContact O-CG1 3.28Å; K503-I507 PolarHBondContact O-N 3.19Å; L504-I507 PolarHBondContact O-N 3.45Å; I507-G509 VanDerWaalsContact C-N 3.33Å; I507-G509 PolarHBondContact O-N 3.01Å; I507-N510 PolarHBondContact O-N 3.34Å; I507-Y511 WeakPolarHBondContact O-CB 3.23Å; I507-Y511 PolarHBondContact O-N 3.07Å
508L85.5Confident85.9Confident95 Ų95112.3 Ų112.350%0.49756%0.56SS.*Hα-helixtrans-63.2-40.5178.4-137.5116.5000111.5L504 K505 Y511 K512L504-L508 HydrophobicContact CD2-CD1 4.43Å; L504-L508 WeakPolarHBondContact O-CB 3.17Å; L504-L508 PolarHBondContact O-N 3.47Å; K505-L508 PolarHBondContact O-N 3.47Å; L508-Y511 PolarHBondContact O-N 3.39Å; L508-K512 PolarHBondContact O-N 3.19Å
509G87Confident85.5Confident38 Ų38114.3 Ų114.339%0.39256%0.562SS.*Hα-helixtrans-62-46173.100000112.6K505 K506 I507 Y511 K512 H513K505-G509 PolarHBondContact O-N 2.97Å; K506-G509 PolarHBondContact O-N 3.19Å; I507-G509 VanDerWaalsContact C-N 3.33Å; I507-G509 PolarHBondContact O-N 3.01Å; G509-Y511 VanDerWaalsContact C-N 3.32Å; G509-Y511 PolarHBondContact O-N 3.26Å; G509-K512 PolarHBondContact O-N 3.47Å; G509-H513 WeakPolarHBondContact O-CB 3.2Å; G509-H513 PolarHBondContact O-N 3.38Å
510N86.2Confident85Confident95 Ų95115.7 Ų115.751%0.50857%0.565SS.*Hα-helixtrans-62-39.3175.2-74.5-6.3000112K506 I507 H513 T514K506-N510 PolarHBondContact O-N 3.34Å; I507-N510 PolarHBondContact O-N 3.34Å; N510-H513 PolarHBondContact O-N 3.14Å; N510-T514 WeakPolarHBondContact O-CB 3.03Å; N510-T514 PolarHBondContact O-N 2.92Å; N510-T514 PolarHBondContact O-OG1 2.99Å
511Y83.1Confident85Confident185 Ų185118.3 Ų118.373%0.72557%0.568SS**Hα-helixtrans-63.7-47.5176.7-173.7-97.4000111.6I507 L508 G509 H513 T514 G515I507-Y511 WeakPolarHBondContact O-CB 3.23Å; I507-Y511 PolarHBondContact O-N 3.07Å; L508-Y511 PolarHBondContact O-N 3.39Å; G509-Y511 VanDerWaalsContact C-N 3.32Å; G509-Y511 PolarHBondContact O-N 3.26Å; Y511-H513 VanDerWaalsContact C-N 3.34Å; Y511-H513 PolarHBondContact O-N 3.14Å; Y511-T514 PolarHBondContact O-N 2.93Å; Y511-G515 PolarHBondContact O-N 2.83Å
512K84.2Confident84.5Confident148 Ų148116.2 Ų116.264%0.64356%0.56SS**Hα-helixtrans-58.6-43.8174.7-75.4-173.3177.9-174.40111.9L508 G509 G515 K516L508-K512 PolarHBondContact O-N 3.19Å; G509-K512 PolarHBondContact O-N 3.47Å; K512-G515 PolarHBondContact O-N 3.43Å; K512-K516 PolarHBondContact O-N 3.41Å
513H83.2Confident83.9Confident138 Ų138115.6 Ų115.664%0.63956%0.557SS**Hα-helixtrans-65.1-43.8178.3-172.4-75.6000112G509 N510 Y511 K516 A517G509-H513 WeakPolarHBondContact O-CB 3.2Å; G509-H513 PolarHBondContact O-N 3.38Å; N510-H513 PolarHBondContact O-N 3.14Å; Y511-H513 VanDerWaalsContact C-N 3.34Å; Y511-H513 PolarHBondContact O-N 3.14Å; H513-K516 PolarHBondContact O-N 3.02Å; H513-A517 WeakPolarHBondContact O-CB 3.24Å; H513-A517 PolarHBondContact O-N 2.91Å
514T83.5Confident83.5Confident89 Ų89114.1 Ų114.155%0.54656%0.555SS.*Hα-helixtrans-66.9-38.9178.7-46.30000110.9N510 Y511 A517 L518N510-T514 WeakPolarHBondContact O-CB 3.03Å; N510-T514 PolarHBondContact O-N 2.92Å; N510-T514 PolarHBondContact O-OG1 2.99Å; Y511-T514 PolarHBondContact O-N 2.93Å; T514-A517 PolarHBondContact O-N 3.42Å; T514-L518 VanDerWaalsContact O-CB 3.29Å; T514-L518 WeakPolarHBondContact O-CB 3.35Å; T514-L518 PolarHBondContact O-N 2.87Å
515G82.7Confident83Confident21 Ų21114.2 Ų114.222%0.21656%0.555CS.*Hα-helixtrans-63.1-41173.700000113.4Y511 K512 R519Y511-G515 PolarHBondContact O-N 2.83Å; K512-G515 PolarHBondContact O-N 3.43Å; G515-R519 WeakPolarHBondContact O-CB 3.38Å; G515-R519 PolarHBondContact O-N 3.31Å
516K82.8Confident82.2Confident155 Ų155110.6 Ų110.667%0.67454%0.541SS*.Hα-helixtrans-64-46.9172.6-89.9-172173.4-175.40112.1K512 H513 L518 R519 Q520K512-K516 PolarHBondContact O-N 3.41Å; H513-K516 PolarHBondContact O-N 3.02Å; K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 PolarHBondContact O-N 3.31Å; K516-R519 PolarHBondContact O-N 3.41Å; K516-Q520 PolarHBondContact O-N 3.06Å
517A83.3Confident81.4Confident37 Ų37113.7 Ų113.731%0.30655%0.549SS..Hα-helixtrans-64.3-35179.200000112.5H513 T514 R521H513-A517 WeakPolarHBondContact O-CB 3.24Å; H513-A517 PolarHBondContact O-N 2.91Å; T514-A517 PolarHBondContact O-N 3.42Å; A517-R521 WeakPolarHBondContact O-CG 3.47Å; A517-R521 PolarHBondContact O-N 2.88Å; A517-R521 VanDerWaalsContact O-N 3.11Å
518L83Confident80.7Confident104 Ų104115.1 Ų115.155%0.54556%0.557SS.*Hα-helixtrans-69.9-44.8176-165.175.5000111.1T514 K516 Q520 R521 I522T514-L518 VanDerWaalsContact O-CB 3.29Å; T514-L518 WeakPolarHBondContact O-CB 3.35Å; T514-L518 PolarHBondContact O-N 2.87Å; K516-L518 VanDerWaalsContact C-N 3.3Å; K516-L518 PolarHBondContact O-N 3.31Å; L518-Q520 PolarHBondContact O-N 3.49Å; L518-R521 PolarHBondContact O-N 2.8Å; L518-I522 HydrophobicContact CD2-CD1 4.48Å; L518-I522 HydrophobicContact CG-CD1 4.14Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.46Å; L518-I522 PolarHBondContact O-N 3.45Å
519R81.3Confident79.9Confident169 Ų169114.3 Ų114.364%0.63856%0.559SS**Hα-helixtrans-58-47.6174.3-83.7-175-95.1-109.14.7111.7G515 K516 R521 I522 T523G515-R519 WeakPolarHBondContact O-CB 3.38Å; G515-R519 PolarHBondContact O-N 3.31Å; K516-R519 PolarHBondContact O-N 3.41Å; R519-R521 VanDerWaalsContact C-N 3.31Å; R519-R521 PolarHBondContact O-N 3.19Å; R519-I522 WeakPolarHBondContact O-CB 3.46Å; R519-I522 PolarHBondContact O-N 3.37Å; R519-I522 VanDerWaalsContact O-N 3.09Å; R519-T523 PolarHBondContact O-N 3.45Å; R519-T523 PolarHBondContact O-OG1 3.01Å
520Q80.8Confident78.7Confident132 Ų132115.8 Ų115.862%0.61757%0.574SS**Hα-helixtrans-57.7-42175.3-79.5179.4-31.100112.7K516 L518 I522 T523 D524K516-Q520 PolarHBondContact O-N 3.06Å; L518-Q520 PolarHBondContact O-N 3.49Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; Q520-I522 PolarHBondContact O-N 2.94Å; Q520-T523 PolarHBondContact O-N 3.2Å; Q520-D524 WeakPolarHBondContact O-CB 3.39Å; Q520-D524 VanDerWaalsContact O-CG 3.3Å; Q520-D524 PolarHBondContact O-N 2.83Å
521R81.6Confident77.2Confident179 Ų179118.1 Ų118.168%0.67558%0.582SS**Hα-helixtrans-66.4-35175.9-80.8-178171.9-178.9-2113.4A517 L518 R519 L525A517-R521 WeakPolarHBondContact O-CG 3.47Å; A517-R521 PolarHBondContact O-N 2.88Å; A517-R521 VanDerWaalsContact O-N 3.11Å; L518-R521 PolarHBondContact O-N 2.8Å; R519-R521 VanDerWaalsContact C-N 3.31Å; R519-R521 PolarHBondContact O-N 3.19Å; R521-L525 WeakPolarHBondContact O-CB 3.2Å; R521-L525 VanDerWaalsContact O-CG 3.26Å; R521-L525 WeakPolarHBondContact O-CG 3.48Å; R521-L525 PolarHBondContact O-N 2.96Å
522I78.3Confident75.7Confident73 Ų73118.8 Ų118.837%0.37459%0.592SS.*Hα-helixtrans-65.6-48.6175.3-70.6165.9000108.8L518 R519 Q520 D524 L525 E526L518-I522 HydrophobicContact CD2-CD1 4.48Å; L518-I522 HydrophobicContact CG-CD1 4.14Å; L518-I522 VanDerWaalsContact O-CG1 3.29Å; L518-I522 WeakPolarHBondContact O-CG1 3.46Å; L518-I522 PolarHBondContact O-N 3.45Å; R519-I522 WeakPolarHBondContact O-CB 3.46Å; R519-I522 PolarHBondContact O-N 3.37Å; R519-I522 VanDerWaalsContact O-N 3.09Å; Q520-I522 VanDerWaalsContact C-N 3.34Å; Q520-I522 PolarHBondContact O-N 2.94Å; I522-D524 VanDerWaalsContact C-N 3.33Å; I522-D524 PolarHBondContact O-N 2.7Å; I522-L525 PolarHBondContact O-N 2.9Å; I522-L525 VanDerWaalsContact O-N 3.1Å; I522-E526 VanDerWaalsContact CG2-CD 3.49Å; I522-E526 HydrophobicContact CG2-CG 4.34Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.48Å; I522-E526 WeakPolarHBondContact O-CB 3.31Å; I522-E526 VanDerWaalsContact O-CG 3.3Å; I522-E526 WeakPolarHBondContact O-CG 3.36Å; I522-E526 PolarHBondContact O-N 3.36Å
523T77.9Confident74.1Confident85 Ų85117.9 Ų117.952%0.52160%0.598SS.*Hα-helixtrans-59.7-40.4176-44.30000112.6R519 Q520 E526 R527R519-T523 PolarHBondContact O-N 3.45Å; R519-T523 PolarHBondContact O-OG1 3.01Å; Q520-T523 PolarHBondContact O-N 3.2Å; T523-E526 PolarHBondContact O-N 3.05Å; T523-R527 WeakPolarHBondContact O-CB 3.37Å; T523-R527 PolarHBondContact O-N 3.37Å
524D79.1Confident72.3Confident98 Ų98119.8 Ų119.852%0.52461%0.607SS.*Hα-helixtrans-66.3-37176.1-75.3-22.8000112.4Q520 I522 L528Q520-D524 WeakPolarHBondContact O-CB 3.39Å; Q520-D524 VanDerWaalsContact O-CG 3.3Å; Q520-D524 PolarHBondContact O-N 2.83Å; I522-D524 VanDerWaalsContact C-N 3.33Å; I522-D524 PolarHBondContact O-N 2.7Å; D524-L528 WeakPolarHBondContact O-CD1 3.46Å; D524-L528 WeakPolarHBondContact O-CG 3.34Å; D524-L528 PolarHBondContact O-N 3.35Å
525L75.4Confident70.4Confident118 Ų118124.3 Ų124.362%0.61862%0.622SS**Hα-helixtrans-71.8-39177-78.6168.3000112.1R521 I522 L528 S529R521-L525 WeakPolarHBondContact O-CB 3.2Å; R521-L525 VanDerWaalsContact O-CG 3.26Å; R521-L525 WeakPolarHBondContact O-CG 3.48Å; R521-L525 PolarHBondContact O-N 2.96Å; I522-L525 PolarHBondContact O-N 2.9Å; I522-L525 VanDerWaalsContact O-N 3.1Å; L525-L528 PolarHBondContact O-N 3.27Å; L525-S529 PolarHBondContact O-N 3.01Å
526E71.9Confident68.2Low94 Ų94131.3 Ų131.344%0.43965%0.649SS.*Hα-helixtrans-66.8-38.2176.1-72165.8170.700111I522 T523 L528 S529 G530I522-E526 VanDerWaalsContact CG2-CD 3.49Å; I522-E526 HydrophobicContact CG2-CG 4.34Å; I522-E526 WeakPolarHBondContact CG2-OE1 3.48Å; I522-E526 WeakPolarHBondContact O-CB 3.31Å; I522-E526 VanDerWaalsContact O-CG 3.3Å; I522-E526 WeakPolarHBondContact O-CG 3.36Å; I522-E526 PolarHBondContact O-N 3.36Å; T523-E526 PolarHBondContact O-N 3.05Å; E526-L528 PolarHBondContact O-N 3.41Å; E526-S529 PolarHBondContact O-N 3.22Å; E526-S529 VanDerWaalsContact O-N 3.14Å; E526-S529 PolarHBondContact O-OG 3.32Å; E526-G530 PolarHBondContact O-N 2.95Å
527R70.3Confident66.1Low216 Ų216132.3 Ų132.382%0.81566%0.657SS**Hα-helixtrans-63.2-28172-173.4175.5168.8152.51.5113.2T523T523-R527 WeakPolarHBondContact O-CB 3.37Å; T523-R527 PolarHBondContact O-N 3.37Å
528L73.2Confident64Low148 Ų148138.9 Ų138.978%0.77568%0.681SS**Hα-helixtrans-83.8-23.5175.7-74.6164000113D524 L525 E526D524-L528 WeakPolarHBondContact O-CD1 3.46Å; D524-L528 WeakPolarHBondContact O-CG 3.34Å; D524-L528 PolarHBondContact O-N 3.35Å; L525-L528 PolarHBondContact O-N 3.27Å; E526-L528 PolarHBondContact O-N 3.41Å
529S69.2Low61.7Low79 Ų79142.6 Ų142.655%0.55270%0.696SS**Hα-helixtrans-83.9-12.8178690000113.8L525 E526L525-S529 PolarHBondContact O-N 3.01Å; E526-S529 PolarHBondContact O-N 3.22Å; E526-S529 VanDerWaalsContact O-N 3.14Å; E526-S529 PolarHBondContact O-OG 3.32Å
530G62Low59.7Low68 Ų68143.2 Ų143.270%0.70171%0.705SS**THydrogen-bonded Turntrans80.718.2174.200000114.6E526E526-G530 PolarHBondContact O-N 2.95Å
531E53.7Low57.7Low145 Ų145142.1 Ų142.168%0.67870%0.704SS**  trans-86.3110.9165.9-82.7172.8146.700108.8
532E51.6Low55.6Low199 Ų199135.7 Ų135.793%0.9369%0.693SS**  trans-77.3124.8163.6-75.2-178.2165.100108.4
533V51.1Low53.5Low128 Ų128134.1 Ų134.178%0.77670%0.695SS**  trans-124.1135.8168.8-176.90000108.5
534E45.8Very low51.6Low179 Ų179137.8 Ų137.884%0.83670%0.704SS**  trans-50.3138.3175-66.7177.4148.900111.1E536E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.97Å
535E42.8Very low49.7Very low183 Ų183137.4 Ų137.486%0.85570%0.701SS**  trans-63.897.3167-71.3-179.2160.600108.1E537E535-E537 VanDerWaalsContact C-N 3.3Å; E535-E537 PolarHBondContact O-N 3.16Å; E535-E537 VanDerWaalsContact O-N 3.07Å
536E37.7Very low48Very low168 Ų168137.6 Ų137.679%0.78570%0.699SS**  trans-69.995.9155.9-75.5-173.3165.800106.9E534 E538E534-E536 VanDerWaalsContact C-N 3.35Å; E534-E536 PolarHBondContact O-N 2.97Å; E536-E538 PolarHBondContact O-N 3.22Å
537E38.8Very low46.5Very low177 Ų177135.7 Ų135.783%0.82770%0.699SS**  trans-61.285.4156.1-73.6-172.2159.500107.7E535 E539E535-E537 VanDerWaalsContact C-N 3.3Å; E535-E537 PolarHBondContact O-N 3.16Å; E535-E537 VanDerWaalsContact O-N 3.07Å; E537-E539 PolarHBondContact O-N 3Å; E537-E539 VanDerWaalsContact O-N 3.12Å
538E38.2Very low45.2Very low175 Ų175131.9 Ų131.982%0.81869%0.688SS**  trans-70104.7157.8-80.7-165.1157.300107.5E536E536-E538 PolarHBondContact O-N 3.22Å
539E34.9Very low43.9Very low182 Ų182130.2 Ų130.285%0.8568%0.676SS**  trans-37.9137.5171.2-66.9-174.4153.200111.8E537 D541E537-E539 PolarHBondContact O-N 3Å; E537-E539 VanDerWaalsContact O-N 3.12Å; E539-D541 VanDerWaalsContact C-N 3.28Å; E539-D541 PolarHBondContact O-N 3.36Å
540E40.4Very low42.7Very low181 Ų181132.7 Ų132.785%0.84668%0.677SS**  trans-56.285.4166.6-72.4-175.1141.600111.5G542 G543E540-G542 PolarHBondContact O-N 3.08Å; E540-G543 PolarHBondContact O-N 3.4Å
541D38Very low41.9Very low110 Ų110135.9 Ų135.959%0.58867%0.674SS**THydrogen-bonded Turntrans-78.712.7162-158.329.9000112E539 I545E539-D541 VanDerWaalsContact C-N 3.28Å; E539-D541 PolarHBondContact O-N 3.36Å; D541-I545 WeakPolarHBondContact O-CD1 3.16Å; D541-I545 WeakPolarHBondContact O-CG1 3.33Å
542G36.7Very low41.6Very low44 Ų44134.7 Ų134.745%0.45467%0.668SS.*Hα-helixtrans-79.6-26.8165.300000113E540 E546E540-G542 PolarHBondContact O-N 3.08Å; G542-E546 PolarHBondContact O-N 3.38Å
543G35.8Very low41.4Very low40 Ų40131.4 Ų131.441%0.41265%0.653SS.*Hα-helixtrans-74.1-33.2-176.500000113.6E540 A547E540-G543 PolarHBondContact O-N 3.4Å; G543-A547 VanDerWaalsContact O-CB 3.27Å; G543-A547 WeakPolarHBondContact O-CB 3.5Å; G543-A547 PolarHBondContact O-N 2.98Å; G543-A547 VanDerWaalsContact O-N 3.1Å
544K36.5Very low41.2Very low161 Ų161132.5 Ų132.570%0.765%0.647SS**Hα-helixtrans-76.3-29.8175.4-90.6176.6179.8166.40112.9K548K544-K548 VanDerWaalsContact O-CB 3.32Å; K544-K548 WeakPolarHBondContact O-CB 3.48Å; K544-K548 PolarHBondContact O-N 2.92Å
545I40.8Very low41.4Very low90 Ų90129.4 Ų129.446%0.46263%0.633SS.*Hα-helixtrans-77.3-41.2176.1-58.6174.2000110.3D541 A547 K548 E549D541-I545 WeakPolarHBondContact O-CD1 3.16Å; D541-I545 WeakPolarHBondContact O-CG1 3.33Å; I545-A547 VanDerWaalsContact C-N 3.34Å; I545-A547 PolarHBondContact O-N 2.72Å; I545-K548 PolarHBondContact O-N 3.25Å; I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 VanDerWaalsContact O-CB 3.27Å; I545-E549 WeakPolarHBondContact O-CB 3.5Å; I545-E549 WeakPolarHBondContact O-CG 3.39Å; I545-E549 PolarHBondContact O-N 3.18Å
546E39.3Very low41.6Very low123 Ų123124.4 Ų124.458%0.57562%0.615SS**Hα-helixtrans-69.6-29.2174.8-77.2-170177.300113.2G542 K550G542-E546 PolarHBondContact O-N 3.38Å; E546-K550 VanDerWaalsContact O-CB 3.28Å; E546-K550 WeakPolarHBondContact O-CB 3.27Å; E546-K550 VanDerWaalsContact O-CG 3.27Å; E546-K550 WeakPolarHBondContact O-CG 3.19Å; E546-K550 PolarHBondContact O-N 2.97Å
547A40.7Very low42.2Very low53 Ų53121.8 Ų121.844%0.43861%0.606SS.*Hα-helixtrans-73.2-40.417200000111.8G543 I545 K550 E551G543-A547 VanDerWaalsContact O-CB 3.27Å; G543-A547 WeakPolarHBondContact O-CB 3.5Å; G543-A547 PolarHBondContact O-N 2.98Å; G543-A547 VanDerWaalsContact O-N 3.1Å; I545-A547 VanDerWaalsContact C-N 3.34Å; I545-A547 PolarHBondContact O-N 2.72Å; A547-K550 PolarHBondContact O-N 2.6Å; A547-E551 WeakPolarHBondContact O-CB 3.15Å; A547-E551 WeakPolarHBondContact O-CG 3.42Å; A547-E551 PolarHBondContact O-N 2.89Å
548K42Very low42.9Very low136 Ų136119.6 Ų119.659%0.59160%0.596SS**Hα-helixtrans-68.9-38.4173-101.1-175.9166-173.60113.3K544 I545 K550 E551 E552K544-K548 VanDerWaalsContact O-CB 3.32Å; K544-K548 WeakPolarHBondContact O-CB 3.48Å; K544-K548 PolarHBondContact O-N 2.92Å; I545-K548 PolarHBondContact O-N 3.25Å; K548-K550 VanDerWaalsContact C-N 3.33Å; K548-E551 PolarHBondContact O-N 3.41Å; K548-E552 VanDerWaalsContact O-CB 3.27Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.21Å; K548-E552 PolarHBondContact O-N 3.38Å
549E45.5Very low43.6Very low113 Ų113117.1 Ų117.153%0.52858%0.582SS.*Hα-helixtrans-68.9-33.6175.7-79.9-177.4161.800110.8I545 E553I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 VanDerWaalsContact O-CB 3.27Å; I545-E549 WeakPolarHBondContact O-CB 3.5Å; I545-E549 WeakPolarHBondContact O-CG 3.39Å; I545-E549 PolarHBondContact O-N 3.18Å; E549-E553 WeakPolarHBondContact O-CB 3.19Å; E549-E553 WeakPolarHBondContact O-CG 3.44Å; E549-E553 PolarHBondContact O-N 3.25Å
550K45.2Very low44.4Very low131 Ų131111.6 Ų111.657%0.5756%0.561SS**Hα-helixtrans-76.3-29.4172.3-77.3176.9-178.5167.80113.8E546 A547 K548 K554E546-K550 VanDerWaalsContact O-CB 3.28Å; E546-K550 WeakPolarHBondContact O-CB 3.27Å; E546-K550 VanDerWaalsContact O-CG 3.27Å; E546-K550 WeakPolarHBondContact O-CG 3.19Å; E546-K550 PolarHBondContact O-N 2.97Å; A547-K550 PolarHBondContact O-N 2.6Å; K548-K550 VanDerWaalsContact C-N 3.33Å; K550-K554 VanDerWaalsContact O-CB 3.3Å; K550-K554 WeakPolarHBondContact O-CB 3.47Å; K550-K554 WeakPolarHBondContact O-CG 3.47Å; K550-K554 PolarHBondContact O-N 2.76Å; K550-K554 VanDerWaalsContact O-N 3.08Å
551E44.8Very low45.2Very low136 Ų136106.6 Ų106.664%0.63654%0.543SS*.Hα-helixtrans-73.8-38.7170.3-81.9-17816200111.3A547 K548 K554 E555A547-E551 WeakPolarHBondContact O-CB 3.15Å; A547-E551 WeakPolarHBondContact O-CG 3.42Å; A547-E551 PolarHBondContact O-N 2.89Å; K548-E551 PolarHBondContact O-N 3.41Å; E551-K554 PolarHBondContact O-N 2.89Å; E551-E555 WeakPolarHBondContact O-CB 3.47Å; E551-E555 PolarHBondContact O-N 3.49Å
552E46.9Very low46Very low119 Ų119107.6 Ų107.656%0.55654%0.544SS*.Hα-helixtrans-72.1-37.7174.4-77.8-178.5177.400112.1K548 K554 E555 T556K548-E552 VanDerWaalsContact O-CB 3.27Å; K548-E552 WeakPolarHBondContact O-CB 3.36Å; K548-E552 WeakPolarHBondContact O-CG 3.21Å; K548-E552 PolarHBondContact O-N 3.38Å; E552-K554 VanDerWaalsContact C-N 3.34Å; E552-E555 PolarHBondContact O-N 3.48Å; E552-T556 WeakPolarHBondContact O-CB 3.3Å; E552-T556 WeakPolarHBondContact O-CG2 3.38Å; E552-T556 PolarHBondContact O-N 3.22Å; E552-T556 PolarHBondContact O-OG1 3.44Å
553E47.3Very low46.8Very low131 Ų131111.2 Ų111.261%0.61255%0.549SS*.Hα-helixtrans-64.7-36.6170.1-86.8-173.9155.700111.2E549 T556 D557E549-E553 WeakPolarHBondContact O-CB 3.19Å; E549-E553 WeakPolarHBondContact O-CG 3.44Å; E549-E553 PolarHBondContact O-N 3.25Å; E553-T556 WeakPolarHBondContact CA-OG1 3.37Å; E553-T556 PolarHBondContact O-OG1 2.97Å; E553-D557 WeakPolarHBondContact O-CB 3.48Å; E553-D557 PolarHBondContact O-N 3.44Å
554K47.1Very low47.6Very low151 Ų151115.8 Ų115.866%0.65756%0.557SS**Hα-helixtrans-72-41.1174.1-86.4-176172.2-172.90113.2K550 E551 E552 T556 E558K550-K554 VanDerWaalsContact O-CB 3.3Å; K550-K554 WeakPolarHBondContact O-CB 3.47Å; K550-K554 WeakPolarHBondContact O-CG 3.47Å; K550-K554 PolarHBondContact O-N 2.76Å; K550-K554 VanDerWaalsContact O-N 3.08Å; E551-K554 PolarHBondContact O-N 2.89Å; E552-K554 VanDerWaalsContact C-N 3.34Å; K554-T556 VanDerWaalsContact C-N 3.31Å; K554-E558 VanDerWaalsContact O-CB 3.29Å; K554-E558 WeakPolarHBondContact O-CB 3.26Å; K554-E558 WeakPolarHBondContact O-CG 3.39Å; K554-E558 PolarHBondContact O-N 3.38Å
555E49.2Very low48.4Very low114 Ų114114 Ų11453%0.53355%0.552SS.*Hα-helixtrans-67.4-32.4175.1-97.2-167.5163.600112E551 E552 K559E551-E555 WeakPolarHBondContact O-CB 3.47Å; E551-E555 PolarHBondContact O-N 3.49Å; E552-E555 PolarHBondContact O-N 3.48Å; E555-K559 VanDerWaalsContact O-CB 3.29Å; E555-K559 WeakPolarHBondContact O-CB 3.45Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.42Å; E555-K559 PolarHBondContact O-N 3.49Å
556T48.9Very low49.1Very low78 Ų78116.1 Ų116.148%0.47956%0.56SS.*Hα-helixtrans-77.9-37.9175.544.60000112.4E552 E553 K554 K559 V560E552-T556 WeakPolarHBondContact O-CB 3.3Å; E552-T556 WeakPolarHBondContact O-CG2 3.38Å; E552-T556 PolarHBondContact O-N 3.22Å; E552-T556 PolarHBondContact O-OG1 3.44Å; E553-T556 WeakPolarHBondContact CA-OG1 3.37Å; E553-T556 PolarHBondContact O-OG1 2.97Å; K554-T556 VanDerWaalsContact C-N 3.31Å; T556-K559 PolarHBondContact O-N 3.03Å; T556-V560 VanDerWaalsContact O-CB 3.32Å; T556-V560 WeakPolarHBondContact O-CB 3.15Å; T556-V560 WeakPolarHBondContact O-CG2 3.47Å; T556-V560 PolarHBondContact O-N 3.13Å
557D49.5Very low49.7Very low112 Ų112116.6 Ų116.660%0.59956%0.56SS**Hα-helixtrans-68.3-37.9171.1-88-20.1000111.9E553 V560 V561E553-D557 WeakPolarHBondContact O-CB 3.48Å; E553-D557 PolarHBondContact O-N 3.44Å; D557-V560 PolarHBondContact O-N 3.47Å; D557-V561 WeakPolarHBondContact O-CB 3.49Å; D557-V561 WeakPolarHBondContact O-CG2 3.37Å; D557-V561 PolarHBondContact O-N 2.85Å
558E53.2Low50.2Low131 Ų131117.2 Ų117.261%0.61256%0.558SS**Hα-helixtrans-65.9-40.7173.2-82.3-178.5167.200111.8K554 V561 E562K554-E558 VanDerWaalsContact O-CB 3.29Å; K554-E558 WeakPolarHBondContact O-CB 3.26Å; K554-E558 WeakPolarHBondContact O-CG 3.39Å; K554-E558 PolarHBondContact O-N 3.38Å; E558-V561 PolarHBondContact O-N 3.15Å; E558-E562 WeakPolarHBondContact O-CB 3.28Å; E558-E562 PolarHBondContact O-N 2.92Å
559K52.6Low50.8Low123 Ų123117.9 Ų117.954%0.53556%0.563SS.*Hα-helixtrans-67.6-34173.8-80.3174.2-179.21640113.6E555 T556 V561 E563E555-K559 VanDerWaalsContact O-CB 3.29Å; E555-K559 WeakPolarHBondContact O-CB 3.45Å; E555-K559 VanDerWaalsContact O-CG 3.27Å; E555-K559 WeakPolarHBondContact O-CG 3.42Å; E555-K559 PolarHBondContact O-N 3.49Å; T556-K559 PolarHBondContact O-N 3.03Å; K559-V561 VanDerWaalsContact C-N 3.34Å; K559-E563 WeakPolarHBondContact O-CB 3.06Å; K559-E563 PolarHBondContact O-N 2.9Å
560V52.1Low51.1Low67 Ų67119.5 Ų119.541%0.40657%0.571SS.*Hα-helixtrans-74.9-27.3176.11700000111.3T556 D557 K564T556-V560 VanDerWaalsContact O-CB 3.32Å; T556-V560 WeakPolarHBondContact O-CB 3.15Å; T556-V560 WeakPolarHBondContact O-CG2 3.47Å; T556-V560 PolarHBondContact O-N 3.13Å; D557-V560 PolarHBondContact O-N 3.47Å; V560-K564 VanDerWaalsContact O-CB 3.28Å; V560-K564 WeakPolarHBondContact O-CB 3.46Å; V560-K564 VanDerWaalsContact O-CG 3.27Å; V560-K564 WeakPolarHBondContact O-CG 3.46Å; V560-K564 PolarHBondContact O-N 3.49Å
561V57.6Low51.5Low76 Ų76119.9 Ų119.946%0.46158%0.575SS.*Hα-helixtrans-76.9-42.9171.1173.30000110.6D557 E558 K559 K564 E565D557-V561 WeakPolarHBondContact O-CB 3.49Å; D557-V561 WeakPolarHBondContact O-CG2 3.37Å; D557-V561 PolarHBondContact O-N 2.85Å; E558-V561 PolarHBondContact O-N 3.15Å; K559-V561 VanDerWaalsContact C-N 3.34Å; V561-K564 CarbonylContact O-C 3.59Å; V561-K564 PolarHBondContact O-N 3.32Å; V561-E565 HydrophobicContact CG1-CG 4.49Å; V561-E565 WeakPolarHBondContact O-CB 3.46Å; V561-E565 WeakPolarHBondContact O-CG 3.4Å; V561-E565 PolarHBondContact O-N 2.66Å
562E54.3Low51.8Low130 Ų130120 Ų12061%0.60757%0.573SS**Hα-helixtrans-62.3-45.2173.2-81.7-174.5156.500111.8E558 K564 E565 E566E558-E562 WeakPolarHBondContact O-CB 3.28Å; E558-E562 PolarHBondContact O-N 2.92Å; E562-K564 VanDerWaalsContact C-N 3.27Å; E562-K564 PolarHBondContact O-N 3.29Å; E562-E565 PolarHBondContact O-N 3.37Å; E562-E566 WeakPolarHBondContact O-CB 3.3Å; E562-E566 PolarHBondContact O-N 2.89Å
563E52.8Low51.9Low120 Ų120116 Ų11656%0.56156%0.564SS**Hα-helixtrans-66.1-27.9175.1-88.3-168162.900112.9K559 K567K559-E563 WeakPolarHBondContact O-CB 3.06Å; K559-E563 PolarHBondContact O-N 2.9Å; E563-K567 WeakPolarHBondContact O-CB 3.26Å; E563-K567 WeakPolarHBondContact O-CG 3.5Å; E563-K567 PolarHBondContact O-N 3.12Å; E563-K567 VanDerWaalsContact O-N 3.12Å
564K53.2Low52.1Low136 Ų136112 Ų11259%0.59155%0.553SS**Hα-helixtrans-76.7-39.5172.9-85.5178.8177.8174.90111.2V560 V561 E562 K567 T568V560-K564 VanDerWaalsContact O-CB 3.28Å; V560-K564 WeakPolarHBondContact O-CB 3.46Å; V560-K564 VanDerWaalsContact O-CG 3.27Å; V560-K564 WeakPolarHBondContact O-CG 3.46Å; V560-K564 PolarHBondContact O-N 3.49Å; V561-K564 CarbonylContact O-C 3.59Å; V561-K564 PolarHBondContact O-N 3.32Å; E562-K564 VanDerWaalsContact C-N 3.27Å; E562-K564 PolarHBondContact O-N 3.29Å; K564-K567 PolarHBondContact O-N 3.34Å; K564-T568 WeakPolarHBondContact O-CB 3.3Å; K564-T568 PolarHBondContact O-N 3.03Å; K564-T568 PolarHBondContact O-OG1 2.9Å
565E54.3Low52.2Low124 Ų124110.1 Ų110.158%0.57955%0.55SS**Hα-helixtrans-66.6-42175.3-75.4-174.9166.200110.9V561 E562 K567 T568 E569V561-E565 HydrophobicContact CG1-CG 4.49Å; V561-E565 WeakPolarHBondContact O-CB 3.46Å; V561-E565 WeakPolarHBondContact O-CG 3.4Å; V561-E565 PolarHBondContact O-N 2.66Å; E562-E565 PolarHBondContact O-N 3.37Å; E565-K567 PolarHBondContact O-N 2.84Å; E565-T568 PolarHBondContact O-N 3Å; E565-E569 WeakPolarHBondContact O-CG 3.29Å; E565-E569 PolarHBondContact O-N 3.32Å
566E54.1Low52.3Low135 Ų135111.5 Ų111.563%0.63156%0.557SS**Hα-helixtrans-61.3-42.5172.7-112.8-178.3171.500112.1E562 T568 E569 E570E562-E566 WeakPolarHBondContact O-CB 3.3Å; E562-E566 PolarHBondContact O-N 2.89Å; E566-T568 VanDerWaalsContact C-N 3.35Å; E566-T568 PolarHBondContact O-N 2.89Å; E566-E569 PolarHBondContact O-N 2.88Å; E566-E570 WeakPolarHBondContact O-CB 3.37Å; E566-E570 PolarHBondContact O-N 3.38Å
567K52.6Low52.2Low133 Ų133115 Ų11558%0.57857%0.565SS**Hα-helixtrans-68.9-30.9174.9-82.3178.6178.4167.90113.6E563 K564 E565 E571E563-K567 WeakPolarHBondContact O-CB 3.26Å; E563-K567 WeakPolarHBondContact O-CG 3.5Å; E563-K567 PolarHBondContact O-N 3.12Å; E563-K567 VanDerWaalsContact O-N 3.12Å; K564-K567 PolarHBondContact O-N 3.34Å; E565-K567 PolarHBondContact O-N 2.84Å; K567-E571 WeakPolarHBondContact O-CB 3.37Å; K567-E571 PolarHBondContact O-N 3.04Å
568T51.9Low52.2Low66 Ų66115.2 Ų115.241%0.40557%0.566SS.*Hα-helixtrans-78.8-28.8177.6-41.90000111K564 E565 E566 K572K564-T568 WeakPolarHBondContact O-CB 3.3Å; K564-T568 PolarHBondContact O-N 3.03Å; K564-T568 PolarHBondContact O-OG1 2.9Å; E565-T568 PolarHBondContact O-N 3Å; E566-T568 VanDerWaalsContact C-N 3.35Å; E566-T568 PolarHBondContact O-N 2.89Å; T568-K572 WeakPolarHBondContact O-CB 3.24Å; T568-K572 VanDerWaalsContact O-CG 3.26Å; T568-K572 WeakPolarHBondContact O-CG 3.3Å; T568-K572 PolarHBondContact O-N 2.85Å; T568-K572 VanDerWaalsContact O-N 3.09Å
569E52.9Low52Low149 Ų149116 Ų11670%0.69657%0.57SS**Hα-helixtrans-75.3-36169.8-73.8-168163.800112.2E565 E566 K572 G573E565-E569 WeakPolarHBondContact O-CG 3.29Å; E565-E569 PolarHBondContact O-N 3.32Å; E566-E569 PolarHBondContact O-N 2.88Å; E569-K572 PolarHBondContact O-N 2.74Å; E569-G573 PolarHBondContact O-N 3.2Å
570E52.7Low51.8Low147 Ų147117.4 Ų117.469%0.68758%0.579SS**Hα-helixtrans-67-39.5170.4-82.8-169.4150.300112.6E566 A574E566-E570 WeakPolarHBondContact O-CB 3.37Å; E566-E570 PolarHBondContact O-N 3.38Å; E570-A574 VanDerWaalsContact O-CB 3.31Å; E570-A574 PolarHBondContact O-N 2.61Å; E570-A574 WeakPolarHBondContact O-CB 3.08Å
571E53.5Low51.5Low140 Ų140119.6 Ų119.665%0.65459%0.585SS**Hα-helixtrans-67.5-37.5173.9-85.7-175.9161.200112.1K567 A574 D575K567-E571 WeakPolarHBondContact O-CB 3.37Å; K567-E571 PolarHBondContact O-N 3.04Å; E571-A574 PolarHBondContact O-N 2.97Å; E571-D575 PolarHBondContact O-N 3.49Å
572K50.4Low51.1Low139 Ų139117.7 Ų117.760%0.60458%0.58SS**Hα-helixtrans-72.2-35.4175.3-76.5176.6179.5177.60113.3T568 E569 A574 E576T568-K572 WeakPolarHBondContact O-CB 3.24Å; T568-K572 VanDerWaalsContact O-CG 3.26Å; T568-K572 WeakPolarHBondContact O-CG 3.3Å; T568-K572 PolarHBondContact O-N 2.85Å; T568-K572 VanDerWaalsContact O-N 3.09Å; E569-K572 PolarHBondContact O-N 2.74Å; K572-A574 VanDerWaalsContact C-N 3.32Å; K572-E576 PolarHBondContact O-N 3.41Å
573G49.3Very low50.6Low34 Ų34118.8 Ų118.835%0.35159%0.585SS.*Hα-helixtrans-74-20.917400000113.8E569 K577E569-G573 PolarHBondContact O-N 3.2Å; G573-K577 PolarHBondContact O-N 3Å
574A51.4Low50.2Low48 Ų48120.8 Ų120.840%0.39760%0.595SS.*Hα-helixtrans-79-41.4169.800000111.7E570 E571 K572 K577 D578E570-A574 VanDerWaalsContact O-CB 3.31Å; E570-A574 PolarHBondContact O-N 2.61Å; E570-A574 WeakPolarHBondContact O-CB 3.08Å; E571-A574 PolarHBondContact O-N 2.97Å; K572-A574 VanDerWaalsContact C-N 3.32Å; A574-K577 PolarHBondContact O-N 2.88Å; A574-D578 PolarHBondContact O-N 2.87Å
575D50.4Low49.9Very low111 Ų111120.7 Ų120.759%0.59459%0.594SS**Hα-helixtrans-65.6-38.1174.7-96-19.2000112.4E571 K577 D578 E579E571-D575 PolarHBondContact O-N 3.49Å; D575-K577 PolarHBondContact O-N 3.48Å; D575-D578 PolarHBondContact O-N 3.01Å; D575-E579 PolarHBondContact O-N 3.29Å
576E49.9Very low49.4Very low143 Ų143119.6 Ų119.667%0.66860%0.596SS**Hα-helixtrans-68.8-29.8174.5-86.9-176167.100113K572 E580K572-E576 PolarHBondContact O-N 3.41Å; E576-E580 PolarHBondContact O-N 3.45Å; E576-E580 VanDerWaalsContact O-N 3.09Å
577K48.1Very low48.9Very low151 Ų151121 Ų12166%0.65760%0.603SS**Hα-helixtrans-76.6-32.9173.9-85.8-178.9177.1173.80113.1G573 A574 D575 E581G573-K577 PolarHBondContact O-N 3Å; A574-K577 PolarHBondContact O-N 2.88Å; D575-K577 PolarHBondContact O-N 3.48Å; K577-E581 WeakPolarHBondContact O-CB 3.24Å; K577-E581 PolarHBondContact O-N 3.44Å
578D49.9Very low48.5Very low116 Ų116121.3 Ų121.362%0.6261%0.611SS**Hα-helixtrans-76.4-25.2174.6-81.4-25.1000112A574 D575 G582A574-D578 PolarHBondContact O-N 2.87Å; D575-D578 PolarHBondContact O-N 3.01Å; D578-G582 VanDerWaalsContact O-N 3.16Å; D578-G582 PolarHBondContact O-N 3.02Å
579E48.9Very low48.1Very low147 Ų147127.1 Ų127.169%0.68763%0.63SS**Hα-helixtrans-75.7-40.5168.7-77.7-169.8157.600112.9D575 G582 E583D575-E579 PolarHBondContact O-N 3.29Å; E579-G582 PolarHBondContact O-N 3.42Å; E579-E583 PolarHBondContact O-N 3.45Å; E579-E583 VanDerWaalsContact O-N 3.1Å
580E47.5Very low47.7Very low154 Ų154125 Ų12572%0.7263%0.632SS**Hα-helixtrans-67.8-37.7173.3-87.3-171.5158.700112.9E576 G582 E584E576-E580 PolarHBondContact O-N 3.45Å; E576-E580 VanDerWaalsContact O-N 3.09Å; E580-G582 VanDerWaalsContact C-N 3.27Å; E580-G582 PolarHBondContact O-N 2.87Å; E580-E584 PolarHBondContact O-N 3.36Å
581E46.5Very low47.5Very low113 Ų113125.8 Ų125.853%0.52864%0.636SS.*Hα-helixtrans-72.4-18.9172.4-84.9-157.3-169.100113.6K577 K585K577-E581 WeakPolarHBondContact O-CB 3.24Å; K577-E581 PolarHBondContact O-N 3.44Å; E581-K585 IonicContact OE2-NZ 3.26Å; E581-K585 PolarHBondContact OE2-NZ 3.38Å
582G47.6Very low46.9Very low36 Ų36125.5 Ų125.537%0.37164%0.643SS.*Hα-helixtrans-80-36.5176.200000113.4D578 E579 E580 T586D578-G582 VanDerWaalsContact O-N 3.16Å; D578-G582 PolarHBondContact O-N 3.02Å; E579-G582 PolarHBondContact O-N 3.42Å; E580-G582 VanDerWaalsContact C-N 3.27Å; E580-G582 PolarHBondContact O-N 2.87Å; G582-T586 PolarHBondContact O-N 3.31Å; G582-T586 PolarHBondContact O-OG1 3.25Å
583E45.7Very low46.4Very low152 Ų152125.4 Ų125.471%0.7165%0.654SS**Hα-helixtrans-77.1-33.9175.9-76.3-166.315200112.5E579 K585 T586E579-E583 PolarHBondContact O-N 3.45Å; E579-E583 VanDerWaalsContact O-N 3.1Å; E583-K585 VanDerWaalsContact C-N 3.28Å; E583-K585 PolarHBondContact O-N 3.25Å; E583-T586 WeakPolarHBondContact CA-OG1 3.47Å; E583-T586 PolarHBondContact O-N 3.37Å; E583-T586 PolarHBondContact O-OG1 3.29Å
584E43.8Very low45.9Very low162 Ų162133.4 Ų133.476%0.75768%0.68SS**Hα-helixtrans-71.2-21.1175.3-135.2-180-16700113E580E580-E584 PolarHBondContact O-N 3.36Å
585K46.2Very low45.3Very low135 Ų135137.3 Ų137.359%0.58770%0.698SS**Hα-helixtrans-92.2-3.5175.2-78.8173.5-172.8143.90114.6E581 E583E581-K585 IonicContact OE2-NZ 3.26Å; E581-K585 PolarHBondContact OE2-NZ 3.38Å; E583-K585 VanDerWaalsContact C-N 3.28Å; E583-K585 PolarHBondContact O-N 3.25Å
586T44.7Very low44.7Very low101 Ų101143.4 Ų143.462%0.6273%0.731SS**Hα-helixtrans-102.2-15.4175.432.20000114.1G582 E583G582-T586 PolarHBondContact O-N 3.31Å; G582-T586 PolarHBondContact O-OG1 3.25Å; E583-T586 WeakPolarHBondContact CA-OG1 3.47Å; E583-T586 PolarHBondContact O-N 3.37Å; E583-T586 PolarHBondContact O-OG1 3.29Å
587E43.7Very low44.5Very low164 Ų164143.4 Ų143.477%0.76673%0.734SS**Hα-helixtrans-82.1-29167.1-74.8-166.9149.400113.4K589 S590E587-K589 VanDerWaalsContact C-N 3.31Å; E587-K589 PolarHBondContact O-N 2.97Å; E587-S590 PolarHBondContact O-OG 2.87Å
588D44.2Very low44.3Very low140 Ų140143 Ų14375%0.74974%0.738SS**THydrogen-bonded Turntrans-87.114.4-176.6-150.320000115
589K43.3Very low44Very low188 Ų188144.5 Ų144.582%0.81775%0.745SS**THydrogen-bonded Turntrans-120.111.5174.4-83.1-175.9178.7172.90114.5E587E587-K589 VanDerWaalsContact C-N 3.31Å; E587-K589 PolarHBondContact O-N 2.97Å
590S44Very low43.7Very low104 Ų104144.4 Ų144.473%0.72775%0.748SS**SBendtrans-111.5-2.4175.871.10000115.2E587E587-S590 PolarHBondContact O-OG 2.87Å
591E48.7Very low43.5Very low164 Ų164143.8 Ų143.877%0.76675%0.75SS**SBendtrans-117.4144.1163.7-83.5-174148.500110.1
592V41.3Very low43.3Very low134 Ų134145.8 Ų145.881%0.81277%0.765SS**SBendtrans80.574.5-177.5-159.30000114
593T38.3Very low43Very low136 Ų136153.6 Ų153.683%0.83479%0.793SS**  -166.386.188.821.20000111
594K40.1Very low42.7Very low203 Ų203153.8 Ų153.888%0.88380%0.799SS**  trans-105.6109.8141.7-105.3-179.9178.1172.50104.9
595T39.3Very low42.7Very low129 Ų129153.1 Ų153.179%0.79180%0.803SS**  trans161.7127.4144.738.90000110
596D38.1Very low42.3Very low239 Ų239154.7 Ų154.7100%1.27882%0.822SS**  trans69.30166.4-58.9-20.1000120.4

Retrieved 596 of 596 residues in 1217.4 ms (Link to these results)

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