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ClpXP adapter protein SpxH

Adapter protein required for efficient degradation of Spx by ClpXP under non-stress conditions. Interaction with Spx stabilizes Spx and exposes the C-terminus of Spx for recognition and proteolysis by ClpXP.

AlphaFold DB (Q2G203), UniProt , Accession Q99V89, Species STAAN (Staphylococcus aureus (strain N315)), Gene spxH, Length 268 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low36.6Very low246 Ų246161.5 Ų161.5100%1.21283%0.834SS**  01150-74.2-166.8-91.400107.3G3M1-G3 PolarHBondContact O-N 3.28Å
2A39.1Very low37.1Very low100 Ų100155 Ų15583%0.82681%0.813SS**  trans-67.6113-175.900000110.2
3G38.5Very low37.3Very low70 Ų70159.7 Ų159.772%0.72281%0.813SS**  trans-89.395.3162.200000107.6M1 L5M1-G3 PolarHBondContact O-N 3.28Å; G3-L5 PolarHBondContact O-N 3.05Å
4E40.1Very low37.8Very low170 Ų170159.6 Ų159.679%0.79481%0.808SS**  trans-61.8107.3170.7-70.2179.9162.200108.8R6E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 3.13Å
5L35.3Very low38Very low168 Ų168158.7 Ų158.788%0.8881%0.806SS**  trans-62.197.2165.9-87.8129.2000107.9G3 I7G3-L5 PolarHBondContact O-N 3.05Å; L5-I7 PolarHBondContact O-N 2.94Å; L5-I7 VanDerWaalsContact O-N 3.13Å
6R35.7Very low38.4Very low222 Ų222156.9 Ų156.984%0.83880%0.798SS**  trans-65.2111.5169.3-72.4-174.7-179.5-174.9-0108.3E4 M8E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 3.13Å; R6-M8 PolarHBondContact O-N 3.03Å
7I38.4Very low38.9Very low157 Ų157155.1 Ų155.181%0.80579%0.79SS**  trans-59.3107.9163.6-62.3171.1000105.9L5 E9L5-I7 PolarHBondContact O-N 2.94Å; L5-I7 VanDerWaalsContact O-N 3.13Å; I7-E9 PolarHBondContact O-N 3.35Å
8M34.5Very low39.6Very low170 Ų170155.1 Ų155.184%0.83779%0.791SS**  trans-67103.8168.9-72.9-177.464.400106.9R6 N10R6-M8 PolarHBondContact O-N 3.03Å; M8-N10 PolarHBondContact O-N 3.03Å
9E31Very low40.4Very low158 Ų158149.6 Ų149.674%0.73877%0.768SS**  trans-54.2111.5162.5-76.8-178.9161.400107.7I7 K11I7-E9 PolarHBondContact O-N 3.35Å; E9-K11 PolarHBondContact O-N 2.76Å
10N34.9Very low41.3Very low147 Ų147147.9 Ų147.979%0.78677%0.768SS**  trans-62.481.4164.3-96.1-18.1000107.6M8 S12M8-N10 PolarHBondContact O-N 3.03Å; N10-S12 VanDerWaalsContact C-N 3.34Å; N10-S12 PolarHBondContact O-N 3.01Å
11K35.1Very low42.3Very low168 Ų168143.3 Ų143.373%0.7375%0.746SS**  trans-63.8102.8161.2-74.9-174.3175.8-179.80106.5E9 R13E9-K11 PolarHBondContact O-N 2.76Å; K11-R13 PolarHBondContact O-N 2.98Å
12S42.3Very low44Very low84 Ų84133.3 Ų133.359%0.58770%0.7SS**  trans41.574.3155.950.30000114.4N10 E14N10-S12 VanDerWaalsContact C-N 3.34Å; N10-S12 PolarHBondContact O-N 3.01Å; S12-E14 PolarHBondContact O-N 3.14Å
13R40Very low46.3Very low216 Ų216131.6 Ų131.682%0.81567%0.674SS**  trans-66.674.4131.7-77.6-176.1174.5-178.3-1.5106K11 D15K11-R13 PolarHBondContact O-N 2.98Å; R13-D15 PolarHBondContact O-N 3.39Å
14E43.7Very low48.9Very low158 Ų158128.4 Ų128.474%0.73864%0.64SS**  trans-57.999.9162.2-89.4166.5-163.600105.5S12 I16S12-E14 PolarHBondContact O-N 3.14Å; E14-I16 PolarHBondContact O-N 3.14Å; E14-I16 VanDerWaalsContact O-N 3.12Å
15D42.1Very low51.5Low146 Ų146122.3 Ų122.378%0.78161%0.612SS**  trans33.571.5152.3-55.9-36.1000114.6R13 N17R13-D15 PolarHBondContact O-N 3.39Å; D15-N17 PolarHBondContact O-N 3.36Å
16I44.1Very low54.4Low131 Ų131114.4 Ų114.467%0.67257%0.57SS**  trans-66.787.5149-53.6174.5000104.1E14 L18E14-I16 PolarHBondContact O-N 3.14Å; E14-I16 VanDerWaalsContact O-N 3.12Å; I16-L18 HydrophobicContact CG2-CD2 4.04Å; I16-L18 HydrophobicContact CG2-CG 4.06Å; I16-L18 PolarHBondContact O-N 2.71Å
17N46Very low57.4Low126 Ų126106 Ų10667%0.67454%0.539SS*.  trans-65.288.7176.4-162.2-12.8000106.7D15 S19D15-N17 PolarHBondContact O-N 3.36Å; N17-S19 PolarHBondContact O-N 3.19Å; N17-S19 VanDerWaalsContact O-N 3.15Å; N17-S19 WeakPolarHBondContact OD1-CB 3.48Å; N17-S19 PolarHBondContact OD1-OG 2.94Å
18L51.4Low60.2Low154 Ų15498.6 Ų98.681%0.80650%0.501SS*.  trans-72.87.9178.9-74.1165.2000112I16I16-L18 HydrophobicContact CG2-CD2 4.04Å; I16-L18 HydrophobicContact CG2-CG 4.06Å; I16-L18 PolarHBondContact O-N 2.71Å
19S55.2Low63.2Low51 Ų5190.5 Ų90.536%0.35746%0.461SS..SBendtrans-62.4127.2170.6560000108.4N17 V21N17-S19 PolarHBondContact O-N 3.19Å; N17-S19 VanDerWaalsContact O-N 3.15Å; N17-S19 WeakPolarHBondContact OD1-CB 3.48Å; N17-S19 PolarHBondContact OD1-OG 2.94Å; S19-V21 PolarHBondContact O-N 2.72Å
20P59Low66.3Low116 Ų11683.3 Ų83.375%0.75343%0.428SS*.  trans-57.5116.8172.122.6-30.1000107.2S22P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.1Å
21V61.5Low69.3Low52 Ų5277.1 Ų77.132%0.31540%0.395SS..  trans-69.5109.4172.5-178.60000105.8S19 K23 Q53 Y54S19-V21 PolarHBondContact O-N 2.72Å; V21-K23 PolarHBondContact O-N 3.27Å; V21-Q53 VanDerWaalsContact CG1-O 3.27Å; V21-Q53 WeakPolarHBondContact CG1-O 3.35Å; V21-Y54 HydrophobicContact CG1-CD1 3.34Å; V21-Y54 HydrophobicContact CG1-CE1 3.7Å; V21-Y54 HydrophobicContact CG1-CG 4.31Å
22S75.9Confident72.1Confident35 Ų3569.1 Ų69.125%0.24536%0.36CS..  trans-59.1130.6170.845.80000109.3P20 E170 M196P20-S22 PolarHBondContact O-N 2.8Å; P20-S22 VanDerWaalsContact O-N 3.1Å; S22-E170 WeakPolarHBondContact CA-OE2 3.32Å; S22-M196 WeakPolarHBondContact O-CE 3.39Å; S22-M196 VanDerWaalsContact OG-CE 3.23Å; S22-M196 WeakPolarHBondContact OG-CE 3.37Å
23K88.2Confident74.6Confident65 Ų6566.5 Ų66.528%0.28334%0.338SS..  trans-106.4124.1179.1-66.3-171.9178.6-173.90112V21 Y54 R56 E170V21-K23 PolarHBondContact O-N 3.27Å; K23-Y54 CarbonylContact C-O 3.55Å; K23-Y54 VanDerWaalsContact CA-O 3.25Å; K23-Y54 WeakPolarHBondContact CA-O 3.42Å; K23-R56 HydrophobicContact CD-CG 4.38Å; K23-E170 WeakPolarHBondContact CB-OE1 3.29Å; K23-E170 PolarHBondContact N-OE1 3.33Å; K23-E170 WeakPolarHBondContact O-CG 3.34Å
24I93.2Very high77.2Confident2 Ų257.1 Ų57.11%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-79.4126.7169.2-62.6166.7000108.6I26 Y54 I55 R56 F167 F168 I192 L195 M196I24-I26 HydrophobicContact CG2-CG1 3.88Å; I24-Y54 PolarHBondContact N-O 2.88Å; I24-I55 HydrophobicContact CB-CG2 4.29Å; I24-I55 CarbonylContact O-C 3.57Å; I24-I55 WeakPolarHBondContact O-CA 3.45Å; I24-R56 PolarHBondContact O-N 3.15Å; I24-F167 HydrophobicContact CG2-CB 4.3Å; I24-F167 HydrophobicContact CG2-CD1 4.2Å; I24-F168 CarbonylContact C-O 3.58Å; I24-F168 VanDerWaalsContact CA-O 3.28Å; I24-F168 WeakPolarHBondContact CA-O 3.45Å; I24-F168 WeakPolarHBondContact CG2-O 3.49Å; I24-I192 HydrophobicContact CD1-CB 4.35Å; I24-I192 HydrophobicContact CD1-CG2 3.94Å; I24-I192 WeakPolarHBondContact CD1-O 3.49Å; I24-L195 HydrophobicContact CD1-CB 3.61Å; I24-L195 HydrophobicContact CD1-CD1 4.35Å; I24-L195 HydrophobicContact CG1-CB 4.19Å; I24-L195 HydrophobicContact CG2-CD1 4.23Å; I24-M196 HydrophobicContact CD1-CG 3.65Å; I24-M196 HydrophobicContact CD1-SD 3.78Å; I24-M196 HydrophobicContact CG1-CG 4.48Å; I24-M196 HydrophobicContact CG1-SD 3.98Å
25E94.5Very high79.5Confident43 Ų4352.5 Ų52.520%0.20129%0.291CS..EExtended strand (participates in β ladder)trans-92.6121.3170.8-168.875.7-16100108.9Y27 R56 F168E25-Y27 HydrophobicContact CB-CE2 4.32Å; E25-Y27 HydrophobicContact CG-CD2 4.15Å; E25-Y27 HydrophobicContact CG-CE2 3.52Å; E25-R56 CarbonylContact C-O 3.46Å; E25-R56 WeakPolarHBondContact CA-O 3.38Å; E25-R56 WeakPolarHBondContact OE2-CB 3.48Å; E25-R56 WeakPolarHBondContact OE2-CD 3.04Å; E25-F168 PolarHBondContact N-O 3.04Å; E25-F168 PolarHBondContact O-N 3.37Å
26I96.6Very high82.1Confident1 Ų148.6 Ų48.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-111.7113.2-179.1-52.7176.6000108.2I24 I55 R56 I57 R58 L165 V166 F167 I192I24-I26 HydrophobicContact CG2-CG1 3.88Å; I26-I55 HydrophobicContact CD1-CB 4.1Å; I26-I55 HydrophobicContact CD1-CD1 4.08Å; I26-I55 HydrophobicContact CD1-CG2 4.16Å; I26-R56 PolarHBondContact N-O 2.76Å; I26-I57 HydrophobicContact CB-CG1 4.22Å; I26-I57 HydrophobicContact CD1-CD1 4.5Å; I26-I57 HydrophobicContact CD1-CG1 4.23Å; I26-I57 CarbonylContact O-C 3.57Å; I26-I57 WeakPolarHBondContact O-CA 3.08Å; I26-R58 PolarHBondContact O-N 3.1Å; I26-L165 HydrophobicContact CG2-CB 4.39Å; I26-L165 HydrophobicContact CG2-CD2 4.38Å; I26-V166 CarbonylContact C-O 3.58Å; I26-V166 WeakPolarHBondContact CA-O 3.25Å; I26-F167 HydrophobicContact CD1-CD1 3.76Å; I26-F167 HydrophobicContact CD1-CE1 3.54Å; I26-F167 HydrophobicContact CG1-CD1 3.64Å; I26-F167 HydrophobicContact CG1-CE1 3.89Å; I26-F167 HydrophobicContact CG1-CG 4.43Å; I26-F167 HydrophobicContact CG2-CD1 4.28Å; I26-F167 HydrophobicContact CG2-CE1 4.11Å; I26-F167 HydrophobicContact CG2-CZ 4.31Å; I26-I192 HydrophobicContact CD1-CD1 4.32Å; I26-I192 HydrophobicContact CD1-CG1 4.5Å
27Y96.8Very high84.5Confident45 Ų4542.6 Ų42.618%0.17624%0.239CC..EExtended strand (participates in β ladder)trans-87.2117.3171.2-69-99.1000108.8E25 R58 I60 M157 L165 V166 F168E25-Y27 HydrophobicContact CB-CE2 4.32Å; E25-Y27 HydrophobicContact CG-CD2 4.15Å; E25-Y27 HydrophobicContact CG-CE2 3.52Å; Y27-R58 HydrophobicContact CD1-CB 4.5Å; Y27-I60 HydrophobicContact CD1-CD1 3.61Å; Y27-I60 HydrophobicContact CD1-CG1 4.48Å; Y27-I60 HydrophobicContact CE1-CD1 4.17Å; Y27-M157 HydrophobicContact CD1-CE 4.09Å; Y27-M157 HydrophobicContact CD2-CE 3.97Å; Y27-M157 HydrophobicContact CE1-CE 4.16Å; Y27-M157 HydrophobicContact CE2-CE 4.06Å; Y27-M157 HydrophobicContact CG-CE 3.99Å; Y27-M157 HydrophobicContact CG-SD 4.2Å; Y27-L165 CarbonylContact O-C 3.55Å; Y27-L165 VanDerWaalsContact O-CA 3.29Å; Y27-L165 WeakPolarHBondContact O-CA 3.44Å; Y27-V166 PolarHBondContact N-O 2.87Å; Y27-V166 PolarHBondContact O-N 3.1Å; Y27-F168 AromaticContact CD2-CD2 3.66Å; Y27-F168 HydrophobicContact CD2-CD2 3.66Å; Y27-F168 AromaticContact CD2-CE2 3.74Å; Y27-F168 HydrophobicContact CD2-CE2 3.74Å; Y27-F168 AromaticContact CE2-CD2 3.71Å; Y27-F168 HydrophobicContact CE2-CD2 3.71Å; Y27-F168 AromaticContact CE2-CE2 3.95Å; Y27-F168 HydrophobicContact CE2-CE2 3.95Å
28S97.7Very high86.8Confident2 Ų237.7 Ų37.71%0.01421%0.212CC..EExtended strand (participates in β ladder)trans-106.5105.2179-177.70000110.6L44 R58 H59 I60 L165S28-L44 WeakPolarHBondContact OG-CD1 3.22Å; S28-R58 PolarHBondContact N-O 3.28Å; S28-H59 CarbonylContact O-C 3.58Å; S28-H59 WeakPolarHBondContact O-CA 3.34Å; S28-I60 PolarHBondContact O-N 3.02Å; S28-L165 VanDerWaalsContact CB-CD2 3.47Å; S28-L165 VanDerWaalsContact OG-CD2 3.28Å; S28-L165 WeakPolarHBondContact OG-CD2 3.41Å
29F97.8Very high88.8Confident0 Ų034.6 Ų34.60%019%0.192CC..EExtended strand (participates in β ladder)trans-86.1122.5175.9-64.4-92.5000109.8I60 N62 I153 A154 M157 I159 P163 S164 V166F29-I60 VanDerWaalsContact CA-O 3.27Å; F29-I60 WeakPolarHBondContact CA-O 3.34Å; F29-I60 HydrophobicContact CD1-CB 3.94Å; F29-I60 HydrophobicContact CD1-CG2 3.77Å; F29-I60 HydrophobicContact CE1-CB 4Å; F29-I60 HydrophobicContact CE1-CD1 4.25Å; F29-I60 HydrophobicContact CE1-CG2 3.67Å; F29-I60 HydrophobicContact CZ-CD1 4.33Å; F29-N62 HydrophobicContact CB-CB 4.4Å; F29-I153 HydrophobicContact CE1-CG2 4.34Å; F29-I153 HydrophobicContact CZ-CG2 3.95Å; F29-A154 HydrophobicContact CD1-CB 4.33Å; F29-A154 HydrophobicContact CE1-CB 3.82Å; F29-M157 HydrophobicContact CE2-SD 3.83Å; F29-M157 HydrophobicContact CZ-SD 3.71Å; F29-I159 HydrophobicContact CB-CG2 4.06Å; F29-I159 HydrophobicContact CD1-CG1 4.1Å; F29-I159 HydrophobicContact CD1-CG2 4.2Å; F29-I159 HydrophobicContact CD2-CD1 3.74Å; F29-I159 HydrophobicContact CD2-CG1 3.77Å; F29-I159 HydrophobicContact CD2-CG2 4.42Å; F29-I159 HydrophobicContact CE1-CG1 3.95Å; F29-I159 HydrophobicContact CE2-CD1 3.71Å; F29-I159 HydrophobicContact CE2-CG1 3.62Å; F29-I159 HydrophobicContact CG-CD1 4.35Å; F29-I159 HydrophobicContact CG-CG1 4Å; F29-I159 HydrophobicContact CG-CG2 3.98Å; F29-I159 HydrophobicContact CZ-CD1 4.29Å; F29-I159 HydrophobicContact CZ-CG1 3.69Å; F29-P163 WeakPolarHBondContact O-CA 3.49Å; F29-S164 PolarHBondContact N-O 3.06Å; F29-S164 PolarHBondContact O-N 3.04Å; F29-S164 VanDerWaalsContact O-N 3.14Å; F29-V166 HydrophobicContact CD2-CG2 4.46Å; F29-V166 HydrophobicContact CE2-CG2 3.96Å
30F97.4Very high90.8Very high8 Ų832.3 Ų32.34%0.03518%0.176CC..EExtended strand (participates in β ladder)trans-127.2151.9-175.774.2-84.8000112.9P32 C37 H59 I60 L61 N62 Y86 I101F30-P32 HydrophobicContact CD2-CG 4.36Å; F30-P32 HydrophobicContact CE2-CG 3.94Å; F30-C37 HydrophobicContact CB-CB 4.19Å; F30-H59 HydrophobicContact CD1-CB 4.11Å; F30-H59 HydrophobicContact CE1-CB 3.98Å; F30-I60 WeakPolarHBondContact CD1-O 3.29Å; F30-I60 VanDerWaalsContact CE1-C 3.48Å; F30-I60 WeakPolarHBondContact CE1-O 3.41Å; F30-I60 PolarHBondContact N-O 3Å; F30-L61 HydrophobicContact CE1-CB 4.35Å; F30-L61 HydrophobicContact CE2-CD1 4.06Å; F30-L61 HydrophobicContact CZ-CB 4.19Å; F30-L61 HydrophobicContact CZ-CD1 4.24Å; F30-N62 PolarHBondContact O-N 3.15Å; F30-Y86 AromaticContact CE1-CE1 3.93Å; F30-Y86 HydrophobicContact CE1-CE1 3.93Å; F30-Y86 AromaticContact CE1-CZ 3.97Å; F30-Y86 HydrophobicContact CZ-CD1 4.1Å; F30-Y86 AromaticContact CZ-CE1 3.83Å; F30-Y86 HydrophobicContact CZ-CE1 3.83Å; F30-Y86 HydrophobicContact CZ-CE2 4.33Å; F30-Y86 HydrophobicContact CZ-CG 4.48Å; F30-Y86 AromaticContact CZ-CZ 3.94Å; F30-I101 HydrophobicContact CD2-CG2 4.08Å; F30-I101 HydrophobicContact CE2-CB 4.41Å; F30-I101 HydrophobicContact CE2-CD1 4.33Å; F30-I101 HydrophobicContact CE2-CG1 4.13Å; F30-I101 HydrophobicContact CE2-CG2 3.47Å; F30-I101 VanDerWaalsContact CE2-CG2 3.47Å; F30-I101 HydrophobicContact CZ-CB 4.45Å; F30-I101 HydrophobicContact CZ-CD1 4.43Å; F30-I101 HydrophobicContact CZ-CG1 3.93Å; F30-I101 HydrophobicContact CZ-CG2 3.9Å
31D96.6Very high92.4Very high17 Ų1727.5 Ų27.59%0.09115%0.145CC..  trans-105.3121.1164.7173.3-6000107.2F33 S34 C37 V67 Q105 A162D31-F33 PolarHBondContact O-N 2.97Å; D31-F33 WeakPolarHBondContact OD1-CD2 3.13Å; D31-F33 PolarHBondContact OD1-N 3.03Å; D31-S34 PolarHBondContact O-N 2.95Å; D31-S34 VanDerWaalsContact O-N 3.08Å; D31-C37 PolarHBondContact N-SG 3.06Å; D31-C37 WeakPolarHBondContact O-CB 3.19Å; D31-V67 HydrophobicContact CB-CG2 3.82Å; D31-Q105 PolarHBondContact O-NE2 2.87Å; D31-A162 HydrophobicContact CB-CB 4.03Å
32P94.8Very high93.9Very high0 Ų025.2 Ų25.20%013%0.132CC..THydrogen-bonded Turntrans-55-27.8-180-21.430.2000112.7F30 L61 I82 Q105F30-P32 HydrophobicContact CD2-CG 4.36Å; F30-P32 HydrophobicContact CE2-CG 3.94Å; P32-L61 VanDerWaalsContact CD-CD1 3.4Å; P32-L61 HydrophobicContact CG-CD1 3.5Å; P32-I82 HydrophobicContact CB-CD1 3.66Å; P32-I82 HydrophobicContact CB-CG1 4.33Å; P32-I82 HydrophobicContact CB-CG2 4.39Å; P32-I82 HydrophobicContact CG-CD1 4.31Å; P32-I82 HydrophobicContact CG-CG1 4.46Å; P32-I82 HydrophobicContact CG-CG2 4.21Å; P32-Q105 WeakPolarHBondContact O-CG 3.15Å; P32-Q105 PolarHBondContact O-NE2 3.41Å
33F94.3Very high94.9Very high28 Ų2824.5 Ų24.512%0.12313%0.125CC..THydrogen-bonded Turntrans-99.54.5-175.3-48.1-75.6000114D31 K70 I82 I108 I115D31-F33 PolarHBondContact O-N 2.97Å; D31-F33 WeakPolarHBondContact OD1-CD2 3.13Å; D31-F33 PolarHBondContact OD1-N 3.03Å; F33-K70 HydrophobicContact CB-CD 4.05Å; F33-K70 HydrophobicContact CD2-CB 4.3Å; F33-K70 HydrophobicContact CD2-CD 3.56Å; F33-K70 HydrophobicContact CD2-CG 3.8Å; F33-K70 HydrophobicContact CE2-CB 4.15Å; F33-K70 HydrophobicContact CE2-CD 4.11Å; F33-K70 HydrophobicContact CE2-CG 3.8Å; F33-K70 HydrophobicContact CG-CD 3.83Å; F33-K70 HydrophobicContact CG-CG 4.35Å; F33-K70 HydrophobicContact CZ-CG 4.37Å; F33-I82 HydrophobicContact CE2-CG2 4.14Å; F33-I82 HydrophobicContact CZ-CG2 3.71Å; F33-I108 HydrophobicContact CD1-CD1 4.06Å; F33-I108 HydrophobicContact CE1-CD1 4.31Å; F33-I115 HydrophobicContact CE1-CD1 3.65Å; F33-I115 HydrophobicContact CE1-CG1 4.43Å; F33-I115 HydrophobicContact CZ-CD1 4.01Å
34S94.2Very high95.3Very high19 Ų1921.6 Ų21.613%0.13311%0.112CC..  trans-89.9124.9-178.1172.10000111.5D31 D36 C37 F38D31-S34 PolarHBondContact O-N 2.95Å; D31-S34 VanDerWaalsContact O-N 3.08Å; S34-D36 PolarHBondContact O-N 3.25Å; S34-D36 PolarHBondContact OG-N 3.31Å; S34-C37 PolarHBondContact O-N 3.48Å; S34-C37 PolarHBondContact OG-N 2.91Å; S34-F38 PolarHBondContact O-N 3.23Å
35S93.1Very high95.4Very high62 Ų6222.4 Ų22.443%0.43412%0.118SC..Hα-helixtrans-60.5-3017257.30000112.8F38 K39S35-F38 WeakPolarHBondContact O-CB 3.43Å; S35-F38 PolarHBondContact O-N 3.12Å; S35-K39 WeakPolarHBondContact O-CG 3.46Å; S35-K39 PolarHBondContact O-N 3.33Å
36D95.8Very high95.5Very high64 Ų6420.6 Ų20.634%0.34211%0.11SC..Hα-helixtrans-77-35.8-179.8-69.3-5.7000110.7S34 F38 K39 L40 P163 L182S34-D36 PolarHBondContact O-N 3.25Å; S34-D36 PolarHBondContact OG-N 3.31Å; D36-F38 VanDerWaalsContact C-N 3.29Å; D36-K39 PolarHBondContact O-N 2.99Å; D36-L40 VanDerWaalsContact O-CB 3.23Å; D36-L40 WeakPolarHBondContact O-CB 3.23Å; D36-L40 PolarHBondContact O-N 3.3Å; D36-P163 HydrophobicContact CB-CG 4.03Å; D36-L182 HydrophobicContact CB-CB 4.22Å; D36-L182 HydrophobicContact CB-CD2 4.36Å
37C95.6Very high95.5Very high4 Ų420.5 Ų20.53%0.02711%0.109CC..Hα-helixtrans-63.3-39.2169.7-66.70000111.2F30 D31 S34 L40 S41F30-C37 HydrophobicContact CB-CB 4.19Å; D31-C37 PolarHBondContact N-SG 3.06Å; D31-C37 WeakPolarHBondContact O-CB 3.19Å; S34-C37 PolarHBondContact O-N 3.48Å; S34-C37 PolarHBondContact OG-N 2.91Å; C37-L40 PolarHBondContact O-N 3.38Å; C37-S41 PolarHBondContact O-N 3.26Å
38F93.5Very high95.4Very high23 Ų2321.8 Ų21.810%0.10111%0.114CC..Hα-helixtrans-59.8-50.1174.8-175.5-113.5000112.7S34 S35 D36 L40 S41 Q105 N106 I109 P110 T219 F257S34-F38 PolarHBondContact O-N 3.23Å; S35-F38 WeakPolarHBondContact O-CB 3.43Å; S35-F38 PolarHBondContact O-N 3.12Å; D36-F38 VanDerWaalsContact C-N 3.29Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 2.9Å; F38-S41 WeakPolarHBondContact O-CB 3.41Å; F38-S41 PolarHBondContact O-N 2.91Å; F38-S41 PolarHBondContact O-OG 3.44Å; F38-Q105 HydrophobicContact CD2-CB 3.89Å; F38-Q105 HydrophobicContact CE2-CB 4.33Å; F38-N106 WeakPolarHBondContact CE2-OD1 2.88Å; F38-N106 WeakPolarHBondContact CZ-OD1 3.42Å; F38-I109 HydrophobicContact CB-CD1 3.53Å; F38-I109 HydrophobicContact CD1-CG2 4.46Å; F38-I109 HydrophobicContact CD2-CD1 3.99Å; F38-I109 HydrophobicContact CG-CD1 3.91Å; F38-I109 HydrophobicContact CG-CG2 4.46Å; F38-P110 HydrophobicContact CZ-CG 4.11Å; F38-T219 HydrophobicContact CE1-CG2 4.31Å; F38-T219 HydrophobicContact CE2-CG2 4.43Å; F38-T219 HydrophobicContact CZ-CG2 3.61Å; F38-F257 HydrophobicContact CZ-CZ 4.33Å
39K93.7Very high95.3Very high89 Ų8923 Ų2339%0.38712%0.12SC..Hα-helixtrans-64.1-39.4175.8-69.8174.4-179175.30112S35 D36 S41 A42 L182S35-K39 WeakPolarHBondContact O-CG 3.46Å; S35-K39 PolarHBondContact O-N 3.33Å; D36-K39 PolarHBondContact O-N 2.99Å; K39-S41 PolarHBondContact O-N 3.43Å; K39-A42 PolarHBondContact O-N 3.38Å; K39-L182 HydrophobicContact CB-CD2 3.75Å; K39-L182 HydrophobicContact CD-CD2 3.91Å
40L95.9Very high95.2Very high3 Ų323.6 Ų23.62%0.01612%0.123CC..Hα-helixtrans-62-33.3176.7-174.159.7000111.8D36 C37 F38 A42 I43 L44 P163 L165 L182 Y188D36-L40 VanDerWaalsContact O-CB 3.23Å; D36-L40 WeakPolarHBondContact O-CB 3.23Å; D36-L40 PolarHBondContact O-N 3.3Å; C37-L40 PolarHBondContact O-N 3.38Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 2.9Å; L40-A42 VanDerWaalsContact C-N 3.26Å; L40-A42 PolarHBondContact O-N 2.75Å; L40-I43 HydrophobicContact CD1-CB 4.21Å; L40-I43 HydrophobicContact CD1-CD1 4.46Å; L40-I43 HydrophobicContact CD1-CG2 4.21Å; L40-I43 WeakPolarHBondContact O-CA 3.27Å; L40-I43 WeakPolarHBondContact O-CB 3.44Å; L40-I43 PolarHBondContact O-N 2.81Å; L40-L44 HydrophobicContact CD1-CG 4.32Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.93Å; L40-L44 HydrophobicContact CG-CG 4Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 2.8Å; L40-P163 HydrophobicContact CD2-CB 3.37Å; L40-P163 HydrophobicContact CD2-CG 4.04Å; L40-L165 HydrophobicContact CD2-CD2 4.06Å; L40-L165 HydrophobicContact CD2-CG 4.29Å; L40-L182 HydrophobicContact CB-CD1 4Å; L40-L182 HydrophobicContact CD1-CD1 4.05Å; L40-Y188 HydrophobicContact CD1-CE2 3.93Å; L40-Y188 WeakPolarHBondContact CD1-OH 3.25Å
41S93.4Very high95.1Very high16 Ų1623.4 Ų23.411%0.11212%0.122CC..Hα-helixtrans-56.9-38.9178.379.10000112.6C37 F38 K39 L44 S45C37-S41 PolarHBondContact O-N 3.26Å; F38-S41 WeakPolarHBondContact O-CB 3.41Å; F38-S41 PolarHBondContact O-N 2.91Å; F38-S41 PolarHBondContact O-OG 3.44Å; K39-S41 PolarHBondContact O-N 3.43Å; S41-L44 PolarHBondContact O-N 3.04Å; S41-S45 WeakPolarHBondContact O-CB 3.16Å; S41-S45 PolarHBondContact O-N 2.91Å; S41-S45 PolarHBondContact O-OG 3.46Å
42A94.1Very high94.9Very high4 Ų428 Ų283%0.03315%0.146CC..Hα-helixtrans-64.2-42.4175.600000112K39 L40 S45 K46 E222 T225K39-A42 PolarHBondContact O-N 3.38Å; L40-A42 VanDerWaalsContact C-N 3.26Å; L40-A42 PolarHBondContact O-N 2.75Å; A42-S45 PolarHBondContact O-N 3.45Å; A42-K46 PolarHBondContact O-N 2.99Å; A42-E222 HydrophobicContact CB-CB 4.07Å; A42-E222 HydrophobicContact CB-CG 4.19Å; A42-T225 HydrophobicContact CB-CG2 4.37Å
43I96.6Very high94.8Very high19 Ų1931.5 Ų31.510%0.09716%0.163CC..Hα-helixtrans-63.5-45.4175.3-69172.2000110.6L40 S45 K46 L47 L182 Y185 Y188 T225L40-I43 HydrophobicContact CD1-CB 4.21Å; L40-I43 HydrophobicContact CD1-CD1 4.46Å; L40-I43 HydrophobicContact CD1-CG2 4.21Å; L40-I43 WeakPolarHBondContact O-CA 3.27Å; L40-I43 WeakPolarHBondContact O-CB 3.44Å; L40-I43 PolarHBondContact O-N 2.81Å; I43-S45 PolarHBondContact O-N 3.02Å; I43-K46 WeakPolarHBondContact O-CB 3.37Å; I43-K46 PolarHBondContact O-N 3.41Å; I43-L47 HydrophobicContact CG2-CD1 4.1Å; I43-L47 HydrophobicContact CG2-CG 4.4Å; I43-L47 WeakPolarHBondContact O-CG 3.49Å; I43-L47 PolarHBondContact O-N 3.5Å; I43-L182 HydrophobicContact CD1-CD1 3.83Å; I43-Y185 HydrophobicContact CG2-CD2 4.04Å; I43-Y188 HydrophobicContact CD1-CE2 4.14Å; I43-Y188 HydrophobicContact CG2-CD2 3.57Å; I43-Y188 HydrophobicContact CG2-CE2 3.73Å; I43-T225 HydrophobicContact CG1-CG2 4.34Å
44L96.4Very high94.8Very high4 Ų431.1 Ų31.12%0.02116%0.161CC..Hα-helixtrans-65.2-38.6178.7-65.8172000111.7S28 L40 S41 K46 L47 R48 I57 H59 L165S28-L44 WeakPolarHBondContact OG-CD1 3.22Å; L40-L44 HydrophobicContact CD1-CG 4.32Å; L40-L44 HydrophobicContact CD2-CD1 4.32Å; L40-L44 HydrophobicContact CG-CD1 3.93Å; L40-L44 HydrophobicContact CG-CG 4Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 2.8Å; S41-L44 PolarHBondContact O-N 3.04Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.35Å; L44-L47 HydrophobicContact CD2-CD1 4.31Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-R48 WeakPolarHBondContact O-CB 3.29Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.31Å; L44-R48 PolarHBondContact O-N 3.45Å; L44-I57 HydrophobicContact CB-CD1 4.3Å; L44-I57 HydrophobicContact CD2-CD1 3.87Å; L44-I57 HydrophobicContact CD2-CG2 4.43Å; L44-H59 WeakPolarHBondContact CD1-NE2 3.38Å; L44-L165 HydrophobicContact CD2-CD1 4.12Å; L44-L165 HydrophobicContact CD2-CD2 4.17Å
45S94.7Very high94.8Very high19 Ų1930.6 Ų30.613%0.13316%0.156CC..Hα-helixtrans-59.9-43.8172.6-73.80000111.6S41 A42 I43 R48 I49 Y211S41-S45 WeakPolarHBondContact O-CB 3.16Å; S41-S45 PolarHBondContact O-N 2.91Å; S41-S45 PolarHBondContact O-OG 3.46Å; A42-S45 PolarHBondContact O-N 3.45Å; I43-S45 PolarHBondContact O-N 3.02Å; S45-R48 PolarHBondContact O-N 3Å; S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.36Å; S45-I49 PolarHBondContact O-N 3.05Å; S45-Y211 WeakPolarHBondContact CB-OH 3.39Å
46K96.8Very high94.8Very high5 Ų534.1 Ų34.12%0.02216%0.16CC..Hα-helixtrans-63.2-47.3174-175.5179.1-174.9170.40112.4A42 I43 L44 R48 I49 E50 Y185 T225 I226 E228A42-K46 PolarHBondContact O-N 2.99Å; I43-K46 WeakPolarHBondContact O-CB 3.37Å; I43-K46 PolarHBondContact O-N 3.41Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-K46 PolarHBondContact O-N 3.35Å; K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 3.15Å; K46-I49 WeakPolarHBondContact O-CB 3.27Å; K46-I49 PolarHBondContact O-N 3.3Å; K46-I49 VanDerWaalsContact O-N 3.11Å; K46-E50 WeakPolarHBondContact CE-OE1 3.36Å; K46-E50 HydrophobicContact CG-CG 4.34Å; K46-E50 PolarHBondContact O-N 2.96Å; K46-Y185 HydrophobicContact CB-CE2 4.15Å; K46-Y185 HydrophobicContact CD-CD1 4.48Å; K46-Y185 HydrophobicContact CD-CD2 3.86Å; K46-Y185 HydrophobicContact CD-CE1 4.16Å; K46-Y185 HydrophobicContact CD-CE2 3.51Å; K46-Y185 HydrophobicContact CD-CG 4.35Å; K46-Y185 HydrophobicContact CG-CE2 3.76Å; K46-T225 HydrophobicContact CB-CG2 4.48Å; K46-T225 HydrophobicContact CD-CG2 4.14Å; K46-T225 VanDerWaalsContact CD-O 3.25Å; K46-T225 WeakPolarHBondContact CD-O 3.36Å; K46-T225 WeakPolarHBondContact CE-O 3.08Å; K46-T225 PolarHBondContact NZ-O 2.85Å; K46-I226 HydrophobicContact CB-CG1 4.03Å; K46-E228 VanDerWaalsContact NZ-CG 3.3Å; K46-E228 IonicContact NZ-OE1 3.66Å; K46-E228 PolarHBondContact NZ-OE1 3.34Å; K46-E228 IonicContact NZ-OE2 3.78Å
47L96.7Very high94.8Very high0 Ų031.9 Ų31.90%015%0.148CC..Hα-helixtrans-57.9-43177.4-72.7174.4000111.3I43 L44 I49 E50 Y51 I55 I57 Y185 Y188 T189 I192I43-L47 HydrophobicContact CG2-CD1 4.1Å; I43-L47 HydrophobicContact CG2-CG 4.4Å; I43-L47 WeakPolarHBondContact O-CG 3.49Å; I43-L47 PolarHBondContact O-N 3.5Å; L44-L47 HydrophobicContact CD2-CD1 4.31Å; L44-L47 PolarHBondContact O-N 2.9Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.07Å; L47-E50 PolarHBondContact O-N 2.95Å; L47-Y51 HydrophobicContact CD2-CD2 3.89Å; L47-Y51 HydrophobicContact CD2-CE2 3.95Å; L47-Y51 WeakPolarHBondContact O-CA 3.38Å; L47-Y51 WeakPolarHBondContact O-CB 3.48Å; L47-Y51 PolarHBondContact O-N 3.45Å; L47-I55 HydrophobicContact CB-CD1 3.9Å; L47-I55 WeakPolarHBondContact O-CD1 3.45Å; L47-I57 HydrophobicContact CB-CD1 4.44Å; L47-Y185 HydrophobicContact CD2-CD2 4.29Å; L47-Y185 HydrophobicContact CD2-CE2 3.43Å; L47-Y185 VanDerWaalsContact CD2-CE2 3.43Å; L47-Y185 HydrophobicContact CG-CD2 4.48Å; L47-Y185 HydrophobicContact CG-CE2 3.77Å; L47-Y188 HydrophobicContact CD1-CG 4.3Å; L47-T189 HydrophobicContact CD2-CG2 3.98Å; L47-I192 HydrophobicContact CD1-CD1 4.46Å; L47-I192 HydrophobicContact CD2-CD1 3.79Å
48R94.8Very high94.8Very high71 Ų7134.1 Ų34.127%0.26816%0.156SC..Hα-helixtrans-61.7-40.3175.9-76.1172.9177.1-137.1-4.9112.5L44 S45 K46 N52 I57 H59 E98L44-R48 WeakPolarHBondContact O-CB 3.29Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.31Å; L44-R48 PolarHBondContact O-N 3.45Å; S45-R48 PolarHBondContact O-N 3Å; K46-R48 VanDerWaalsContact C-N 3.29Å; K46-R48 PolarHBondContact O-N 3.15Å; R48-N52 VanDerWaalsContact O-CA 3.22Å; R48-N52 WeakPolarHBondContact O-CA 3.4Å; R48-N52 WeakPolarHBondContact O-CB 3.31Å; R48-N52 PolarHBondContact O-N 3.45Å; R48-N52 VanDerWaalsContact O-N 3.08Å; R48-I57 HydrophobicContact CG-CD1 3.62Å; R48-I57 HydrophobicContact CG-CG1 4.06Å; R48-I57 PolarHBondContact NH2-O 2.8Å; R48-H59 PolarHBondContact NH2-CE1 3.21Å; R48-H59 PolarHBondContact NH2-ND1 2.91Å; R48-H59 VanDerWaalsContact NH2-ND1 3.1Å; R48-E98 IonicContact CZ-OE1 3.8Å; R48-E98 IonicContact CZ-OE2 2.69Å; R48-E98 IonicContact NH1-OE1 3.82Å; R48-E98 IonicContact NH1-OE2 3.81Å; R48-E98 PolarHBondContact NH1-OE2 3.21Å; R48-E98 IonicContact NH2-OE1 2.67Å; R48-E98 PolarHBondContact NH2-OE1 3.39Å; R48-E98 IonicContact NH2-OE2 2.6Å; R48-E98 PolarHBondContact NH2-OE2 3.26Å; R48-E98 VanDerWaalsContact NH2-OE2 3.13Å
49I95.3Very high94.9Very high29 Ų2934.4 Ų34.415%0.14916%0.157CC..Hα-helixtrans-65.5-57.3177.5-72.3165.4000109.5S45 K46 L47 Y51 N203 P205 Y211 I226S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.36Å; S45-I49 PolarHBondContact O-N 3.05Å; K46-I49 WeakPolarHBondContact O-CB 3.27Å; K46-I49 PolarHBondContact O-N 3.3Å; K46-I49 VanDerWaalsContact O-N 3.11Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.07Å; I49-Y51 PolarHBondContact O-N 3.17Å; I49-N203 WeakPolarHBondContact O-CB 3.18Å; I49-P205 HydrophobicContact CG2-CB 4.02Å; I49-Y211 HydrophobicContact CD1-CD2 4.13Å; I49-Y211 HydrophobicContact CD1-CE2 3.76Å; I49-I226 HydrophobicContact CD1-CD1 4.15Å; I49-I226 HydrophobicContact CD1-CG1 4.38Å; I49-I226 HydrophobicContact CD1-CG2 3.57Å
50E96Very high95Very high12 Ų1230.2 Ų30.26%0.05614%0.139CC..Hα-helixtrans-66.4-40.4-173-70.7-173.3-168.600111.8K46 L47 Y185 K202 N203K46-E50 WeakPolarHBondContact CE-OE1 3.36Å; K46-E50 HydrophobicContact CG-CG 4.34Å; K46-E50 PolarHBondContact O-N 2.96Å; L47-E50 PolarHBondContact O-N 2.95Å; E50-Y185 PolarHBondContact OE2-OH 3.21Å; E50-K202 HydrophobicContact CB-CB 4.18Å; E50-K202 HydrophobicContact CB-CG 4.23Å; E50-K202 HydrophobicContact CG-CB 4.33Å; E50-K202 WeakPolarHBondContact OE2-CD 3.46Å; E50-K202 WeakPolarHBondContact OE2-CE 3.34Å; E50-K202 IonicContact OE2-NZ 2.84Å; E50-K202 PolarHBondContact OE2-NZ 3.42Å; E50-N203 PolarHBondContact O-N 2.95Å
51Y95.4Very high95Very high4 Ų430.1 Ų30.12%0.01614%0.139CC..Hα-helixtrans-11519.7-170.4-58-74.2000114.6L47 I49 Q53 Y54 I55 Y185 T189 I192 I200 K202L47-Y51 HydrophobicContact CD2-CD2 3.89Å; L47-Y51 HydrophobicContact CD2-CE2 3.95Å; L47-Y51 WeakPolarHBondContact O-CA 3.38Å; L47-Y51 WeakPolarHBondContact O-CB 3.48Å; L47-Y51 PolarHBondContact O-N 3.45Å; I49-Y51 PolarHBondContact O-N 3.17Å; Y51-Q53 PolarHBondContact O-N 3.12Å; Y51-Y54 HydrophobicContact CD1-CD2 4.02Å; Y51-Y54 PolarHBondContact O-N 3.46Å; Y51-I55 PolarHBondContact O-N 3.41Å; Y51-Y185 WeakPolarHBondContact CE2-OH 3.38Å; Y51-T189 HydrophobicContact CE2-CG2 3.72Å; Y51-I192 HydrophobicContact CD2-CD1 4.39Å; Y51-I200 HydrophobicContact CD1-CD1 3.63Å; Y51-I200 HydrophobicContact CD1-CG1 4.27Å; Y51-I200 HydrophobicContact CE1-CD1 3.39Å; Y51-I200 HydrophobicContact CE1-CG1 3.81Å; Y51-K202 HydrophobicContact CE1-CG 4.09Å; Y51-K202 WeakPolarHBondContact OH-CE 3.48Å
52N92.5Very high95.2Very high113 Ų11329.6 Ų29.660%0.60413%0.134SC*.THydrogen-bonded Turntrans-43.2-36.7-177.9-17223.7000115.1R48R48-N52 VanDerWaalsContact O-CA 3.22Å; R48-N52 WeakPolarHBondContact O-CA 3.4Å; R48-N52 WeakPolarHBondContact O-CB 3.31Å; R48-N52 PolarHBondContact O-N 3.45Å; R48-N52 VanDerWaalsContact O-N 3.08Å
53Q92.2Very high95.1Very high74 Ų7429.7 Ų29.735%0.34614%0.135SC..THydrogen-bonded Turntrans-79.2-21.3-178.566.1-166.43.100114.1V21 Y51V21-Q53 VanDerWaalsContact CG1-O 3.27Å; V21-Q53 WeakPolarHBondContact CG1-O 3.35Å; Y51-Q53 PolarHBondContact O-N 3.12Å
54Y93.4Very high95Very high20 Ų2030.4 Ų30.48%0.07814%0.141CC..THydrogen-bonded Turntrans-106.8-19.3-175.9-51.1-72.7000113.8V21 K23 I24 Y51 M196 I200 E201V21-Y54 HydrophobicContact CG1-CD1 3.34Å; V21-Y54 HydrophobicContact CG1-CE1 3.7Å; V21-Y54 HydrophobicContact CG1-CG 4.31Å; K23-Y54 CarbonylContact C-O 3.55Å; K23-Y54 VanDerWaalsContact CA-O 3.25Å; K23-Y54 WeakPolarHBondContact CA-O 3.42Å; I24-Y54 PolarHBondContact N-O 2.88Å; Y51-Y54 HydrophobicContact CD1-CD2 4.02Å; Y51-Y54 PolarHBondContact O-N 3.46Å; Y54-M196 HydrophobicContact CD1-CE 3.59Å; Y54-M196 HydrophobicContact CD1-SD 4.43Å; Y54-M196 HydrophobicContact CE1-CE 4.28Å; Y54-M196 HydrophobicContact CG-CE 4.36Å; Y54-I200 HydrophobicContact CD1-CB 4.43Å; Y54-I200 HydrophobicContact CD1-CG2 3.76Å; Y54-I200 HydrophobicContact CD2-CB 4.11Å; Y54-I200 HydrophobicContact CD2-CG2 4.28Å; Y54-I200 HydrophobicContact CE1-CB 4.16Å; Y54-I200 HydrophobicContact CE1-CG2 3.67Å; Y54-I200 HydrophobicContact CE2-CB 3.81Å; Y54-I200 HydrophobicContact CE2-CG2 4.19Å; Y54-I200 HydrophobicContact CG-CB 4.39Å; Y54-I200 HydrophobicContact CG-CG2 4.06Å; Y54-E201 VanDerWaalsContact CE2-O 3.3Å; Y54-E201 WeakPolarHBondContact CE2-O 3.42Å; Y54-E201 PolarHBondContact OH-N 2.84Å
55I94.6Very high94.8Very high7 Ų737 Ų374%0.03618%0.176CC..EExtended strand (participates in β ladder)trans-126.7149.7-175.773.4176000112.2I24 I26 L47 Y51 I57 I192I24-I55 HydrophobicContact CB-CG2 4.29Å; I24-I55 CarbonylContact O-C 3.57Å; I24-I55 WeakPolarHBondContact O-CA 3.45Å; I26-I55 HydrophobicContact CD1-CB 4.1Å; I26-I55 HydrophobicContact CD1-CD1 4.08Å; I26-I55 HydrophobicContact CD1-CG2 4.16Å; L47-I55 HydrophobicContact CB-CD1 3.9Å; L47-I55 WeakPolarHBondContact O-CD1 3.45Å; Y51-I55 PolarHBondContact O-N 3.41Å; I55-I57 HydrophobicContact CD1-CD1 3.84Å; I55-I57 HydrophobicContact CD1-CG1 3.94Å; I55-I57 HydrophobicContact CG1-CG1 4.34Å; I55-I192 HydrophobicContact CG2-CD1 4.14Å; I55-I192 HydrophobicContact CG2-CG1 4.35Å; I55-I192 HydrophobicContact CG2-CG2 4.03Å
56R93.9Very high94.7Very high136 Ų13644.1 Ų44.151%0.51320%0.204SC..EExtended strand (participates in β ladder)trans-125123.8164.8-75.8179174.2156.90.9107.8K23 I24 E25 I26K23-R56 HydrophobicContact CD-CG 4.38Å; I24-R56 PolarHBondContact O-N 3.15Å; E25-R56 CarbonylContact C-O 3.46Å; E25-R56 WeakPolarHBondContact CA-O 3.38Å; E25-R56 WeakPolarHBondContact OE2-CB 3.48Å; E25-R56 WeakPolarHBondContact OE2-CD 3.04Å; I26-R56 PolarHBondContact N-O 2.76Å
57I95.5Very high94.6Very high17 Ų1744 Ų449%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-106.5124.6179.3-51-169.9000108.2I26 L44 L47 R48 I55I26-I57 HydrophobicContact CB-CG1 4.22Å; I26-I57 HydrophobicContact CD1-CD1 4.5Å; I26-I57 HydrophobicContact CD1-CG1 4.23Å; I26-I57 CarbonylContact O-C 3.57Å; I26-I57 WeakPolarHBondContact O-CA 3.08Å; L44-I57 HydrophobicContact CB-CD1 4.3Å; L44-I57 HydrophobicContact CD2-CD1 3.87Å; L44-I57 HydrophobicContact CD2-CG2 4.43Å; L47-I57 HydrophobicContact CB-CD1 4.44Å; R48-I57 HydrophobicContact CG-CD1 3.62Å; R48-I57 HydrophobicContact CG-CG1 4.06Å; R48-I57 PolarHBondContact NH2-O 2.8Å; I55-I57 HydrophobicContact CD1-CD1 3.84Å; I55-I57 HydrophobicContact CD1-CG1 3.94Å; I55-I57 HydrophobicContact CG1-CG1 4.34Å
58R94.5Very high94.5Very high51 Ų5146.6 Ų46.619%0.19222%0.218CC..EExtended strand (participates in β ladder)trans-111.2115.1173.6-178.6178.4176.8-174.4-5.2109.5I26 Y27 S28 I60I26-R58 PolarHBondContact O-N 3.1Å; Y27-R58 HydrophobicContact CD1-CB 4.5Å; S28-R58 PolarHBondContact N-O 3.28Å; R58-I60 HydrophobicContact CG-CG1 4.28Å
59H95.9Very high94.4Very high30 Ų3046.9 Ų46.914%0.13923%0.228CC..EExtended strand (participates in β ladder)trans-80.5131.8173.7-67.686.1000111.1S28 F30 L44 R48 Y86 E98S28-H59 CarbonylContact O-C 3.58Å; S28-H59 WeakPolarHBondContact O-CA 3.34Å; F30-H59 HydrophobicContact CD1-CB 4.11Å; F30-H59 HydrophobicContact CE1-CB 3.98Å; L44-H59 WeakPolarHBondContact CD1-NE2 3.38Å; R48-H59 PolarHBondContact NH2-CE1 3.21Å; R48-H59 PolarHBondContact NH2-ND1 2.91Å; R48-H59 VanDerWaalsContact NH2-ND1 3.1Å; H59-Y86 PolarHBondContact O-OH 3.21Å; H59-Y86 VanDerWaalsContact O-OH 3.11Å; H59-E98 HydrophobicContact CB-CG 4.21Å; H59-E98 IonicContact CE1-OE1 2.56Å; H59-E98 IonicContact CG-OE1 3.91Å; H59-E98 IonicContact ND1-OE1 2.85Å; H59-E98 PolarHBondContact ND1-OE1 3.39Å
60I96.6Very high94.4Very high1 Ų149.4 Ų49.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-125.9128.9177.2-62.8-169000107.6Y27 S28 F29 F30 R58 N62 D150 I153Y27-I60 HydrophobicContact CD1-CD1 3.61Å; Y27-I60 HydrophobicContact CD1-CG1 4.48Å; Y27-I60 HydrophobicContact CE1-CD1 4.17Å; S28-I60 PolarHBondContact O-N 3.02Å; F29-I60 VanDerWaalsContact CA-O 3.27Å; F29-I60 WeakPolarHBondContact CA-O 3.34Å; F29-I60 HydrophobicContact CD1-CB 3.94Å; F29-I60 HydrophobicContact CD1-CG2 3.77Å; F29-I60 HydrophobicContact CE1-CB 4Å; F29-I60 HydrophobicContact CE1-CD1 4.25Å; F29-I60 HydrophobicContact CE1-CG2 3.67Å; F29-I60 HydrophobicContact CZ-CD1 4.33Å; F30-I60 WeakPolarHBondContact CD1-O 3.29Å; F30-I60 VanDerWaalsContact CE1-C 3.48Å; F30-I60 WeakPolarHBondContact CE1-O 3.41Å; F30-I60 PolarHBondContact N-O 3Å; R58-I60 HydrophobicContact CG-CG1 4.28Å; I60-N62 PolarHBondContact O-N 3.38Å; I60-D150 HydrophobicContact CG2-CB 3.98Å; I60-D150 WeakPolarHBondContact CG2-OD2 3.4Å; I60-I153 HydrophobicContact CD1-CD1 4.17Å; I60-I153 HydrophobicContact CD1-CG2 3.79Å
61L96.4Very high94.2Very high1 Ų148.9 Ų48.91%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-65.6122.7172.4174.268.5000107.5F30 P32 P63 V67 L68 A83 Y86 L147F30-L61 HydrophobicContact CE1-CB 4.35Å; F30-L61 HydrophobicContact CE2-CD1 4.06Å; F30-L61 HydrophobicContact CZ-CB 4.19Å; F30-L61 HydrophobicContact CZ-CD1 4.24Å; P32-L61 VanDerWaalsContact CD-CD1 3.4Å; P32-L61 HydrophobicContact CG-CD1 3.5Å; L61-P63 WeakPolarHBondContact O-CD 3.16Å; L61-V67 HydrophobicContact CD1-CG1 3.98Å; L61-L68 HydrophobicContact CD2-CD2 4.29Å; L61-A83 HydrophobicContact CD2-CB 3.45Å; L61-A83 VanDerWaalsContact CD2-CB 3.45Å; L61-Y86 HydrophobicContact CB-CD1 4.03Å; L61-Y86 HydrophobicContact CB-CE1 4.26Å; L61-L147 HydrophobicContact CD2-CD2 4.14Å
62N96.5Very high94.1Very high4 Ų454 Ų542%0.02126%0.259CS..  trans-64.3109.5175.5-179.6-9.9000108.8F29 F30 I60 S64 V67 Q161 A162F29-N62 HydrophobicContact CB-CB 4.4Å; F30-N62 PolarHBondContact O-N 3.15Å; I60-N62 PolarHBondContact O-N 3.38Å; N62-S64 PolarHBondContact O-N 2.85Å; N62-S64 WeakPolarHBondContact OD1-CB 3.29Å; N62-S64 PolarHBondContact OD1-N 2.99Å; N62-V67 VanDerWaalsContact O-CB 3.26Å; N62-V67 WeakPolarHBondContact O-CB 3.48Å; N62-V67 WeakPolarHBondContact O-CG1 3.32Å; N62-Q161 VanDerWaalsContact ND2-C 3.3Å; N62-Q161 PolarHBondContact ND2-O 3.43Å; N62-A162 HydrophobicContact CB-CB 3.87Å; N62-A162 WeakPolarHBondContact ND2-CB 3.28Å
63P92.7Very high94.1Very high7 Ų752.6 Ų52.65%0.04526%0.264CS..  trans-87.130-173.237.3-31.6000111.6L61 L68 D150 L151 A154L61-P63 WeakPolarHBondContact O-CD 3.16Å; P63-L68 HydrophobicContact CB-CD1 4.07Å; P63-L68 HydrophobicContact CB-CG 4.46Å; P63-L68 WeakPolarHBondContact O-CD1 3.41Å; P63-D150 HydrophobicContact CG-CB 4.28Å; P63-L151 HydrophobicContact CB-CB 4.25Å; P63-L151 HydrophobicContact CB-CD1 4.36Å; P63-L151 VanDerWaalsContact CG-CA 3.41Å; P63-L151 HydrophobicContact CG-CB 3.95Å; P63-L151 HydrophobicContact CG-CD1 3.99Å; P63-A154 HydrophobicContact CG-CB 3.95Å
64S93.4Very high94Very high33 Ų3352 Ų5223%0.23126%0.26CS..  trans-59.2151172.7710000110.8N62 K66 V67 L68N62-S64 PolarHBondContact O-N 2.85Å; N62-S64 WeakPolarHBondContact OD1-CB 3.29Å; N62-S64 PolarHBondContact OD1-N 2.99Å; S64-K66 PolarHBondContact O-N 3.46Å; S64-K66 VanDerWaalsContact O-N 3.15Å; S64-V67 PolarHBondContact O-N 2.85Å; S64-V67 VanDerWaalsContact O-N 3.07Å; S64-V67 WeakPolarHBondContact OG-CG2 3.48Å; S64-V67 PolarHBondContact OG-N 2.73Å; S64-L68 PolarHBondContact O-N 2.71Å
65L92.9Very high93.9Very high144 Ų14451.7 Ų51.775%0.75426%0.261SS*.Hα-helixtrans-54.2-38.1178.4-176.863.9000111.5T69L65-T69 WeakPolarHBondContact O-CB 3.3Å; L65-T69 PolarHBondContact O-N 2.85Å; L65-T69 PolarHBondContact O-OG1 2.86Å
66K93.3Very high93.7Very high167 Ų16757.4 Ų57.473%0.72630%0.297SS*.Hα-helixtrans-59.5-49.5177.4-179.2-177.5175.4-174.40112S64 K70S64-K66 PolarHBondContact O-N 3.46Å; S64-K66 VanDerWaalsContact O-N 3.15Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 PolarHBondContact O-N 2.9Å; K66-K70 VanDerWaalsContact O-N 3.14Å
67V94.2Very high93.5Very high3 Ų352.9 Ų52.92%0.01829%0.286CS..Hα-helixtrans-69-51-177.6175.70000110.3D31 L61 N62 S64 T69 K70 C71D31-V67 HydrophobicContact CB-CG2 3.82Å; L61-V67 HydrophobicContact CD1-CG1 3.98Å; N62-V67 VanDerWaalsContact O-CB 3.26Å; N62-V67 WeakPolarHBondContact O-CB 3.48Å; N62-V67 WeakPolarHBondContact O-CG1 3.32Å; S64-V67 PolarHBondContact O-N 2.85Å; S64-V67 VanDerWaalsContact O-N 3.07Å; S64-V67 WeakPolarHBondContact OG-CG2 3.48Å; S64-V67 PolarHBondContact OG-N 2.73Å; V67-T69 VanDerWaalsContact C-N 3.35Å; V67-T69 PolarHBondContact O-N 3.08Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-K70 VanDerWaalsContact O-N 3.11Å; V67-C71 PolarHBondContact O-N 3.39Å; V67-C71 PolarHBondContact O-SG 2.94Å
68L93.8Very high93.1Very high55 Ų5555.8 Ų55.829%0.28830%0.302SS..Hα-helixtrans-64.2-38.6-177.7-63.8-178.6000112.5L61 P63 S64 K70 C71 Q72 A83L61-L68 HydrophobicContact CD2-CD2 4.29Å; P63-L68 HydrophobicContact CB-CD1 4.07Å; P63-L68 HydrophobicContact CB-CG 4.46Å; P63-L68 WeakPolarHBondContact O-CD1 3.41Å; S64-L68 PolarHBondContact O-N 2.71Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.46Å; L68-C71 WeakPolarHBondContact O-CB 3.34Å; L68-C71 PolarHBondContact O-N 2.87Å; L68-Q72 WeakPolarHBondContact O-CB 3.12Å; L68-Q72 PolarHBondContact O-N 2.65Å; L68-A83 HydrophobicContact CD2-CB 4.15Å
69T94.2Very high93Very high77 Ų7754.8 Ų54.847%0.47230%0.299SS..Hα-helixtrans-64.4-38.9174.7-56.10000111L65 V67 Q72 A73L65-T69 WeakPolarHBondContact O-CB 3.3Å; L65-T69 PolarHBondContact O-N 2.85Å; L65-T69 PolarHBondContact O-OG1 2.86Å; V67-T69 VanDerWaalsContact C-N 3.35Å; V67-T69 PolarHBondContact O-N 3.08Å; T69-Q72 PolarHBondContact O-N 3.43Å; T69-A73 VanDerWaalsContact O-CB 3.27Å; T69-A73 WeakPolarHBondContact O-CB 3.19Å; T69-A73 PolarHBondContact O-N 3Å
70K93.8Very high92.8Very high81 Ų8153.7 Ų53.735%0.35229%0.294SS..Hα-helixtrans-67.3-42.3176.1-171.4172177.1-179.50111.9F33 K66 V67 L68 Q72 A73 Q74F33-K70 HydrophobicContact CB-CD 4.05Å; F33-K70 HydrophobicContact CD2-CB 4.3Å; F33-K70 HydrophobicContact CD2-CD 3.56Å; F33-K70 HydrophobicContact CD2-CG 3.8Å; F33-K70 HydrophobicContact CE2-CB 4.15Å; F33-K70 HydrophobicContact CE2-CD 4.11Å; F33-K70 HydrophobicContact CE2-CG 3.8Å; F33-K70 HydrophobicContact CG-CD 3.83Å; F33-K70 HydrophobicContact CG-CG 4.35Å; F33-K70 HydrophobicContact CZ-CG 4.37Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 PolarHBondContact O-N 2.9Å; K66-K70 VanDerWaalsContact O-N 3.14Å; V67-K70 PolarHBondContact O-N 2.83Å; V67-K70 VanDerWaalsContact O-N 3.11Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact C-N 3.28Å; K70-Q72 PolarHBondContact O-N 2.99Å; K70-A73 PolarHBondContact O-N 3.5Å; K70-Q74 WeakPolarHBondContact O-CG 3.36Å; K70-Q74 PolarHBondContact O-N 3.44Å; K70-Q74 VanDerWaalsContact O-N 3.1Å
71C93.3Very high92.7Very high1 Ų154 Ų541%0.00730%0.295CS..Hα-helixtrans-55.5-45.6172.2-64.20000111.1V67 L68 S75 I82 A83V67-C71 PolarHBondContact O-N 3.39Å; V67-C71 PolarHBondContact O-SG 2.94Å; L68-C71 WeakPolarHBondContact O-CB 3.34Å; L68-C71 PolarHBondContact O-N 2.87Å; C71-S75 WeakPolarHBondContact O-CB 3.1Å; C71-S75 PolarHBondContact O-N 3.04Å; C71-S75 PolarHBondContact O-OG 2.86Å; C71-I82 HydrophobicContact CB-CG2 4.06Å; C71-I82 WeakPolarHBondContact SG-CG2 3.46Å; C71-A83 HydrophobicContact CB-CB 4.1Å
72Q92.8Very high92.6Very high112 Ų11254 Ų5452%0.52330%0.296SS..Hα-helixtrans-68.3-40.7179.2-172.860.752.900112.8L68 T69 K70 Q74 S75 N81L68-Q72 WeakPolarHBondContact O-CB 3.12Å; L68-Q72 PolarHBondContact O-N 2.65Å; T69-Q72 PolarHBondContact O-N 3.43Å; K70-Q72 VanDerWaalsContact C-N 3.28Å; K70-Q72 PolarHBondContact O-N 2.99Å; Q72-Q74 VanDerWaalsContact C-N 3.29Å; Q72-Q74 PolarHBondContact O-N 3.33Å; Q72-S75 WeakPolarHBondContact CA-OG 3.27Å; Q72-S75 PolarHBondContact O-N 2.91Å; Q72-S75 PolarHBondContact O-OG 3.5Å; Q72-N81 PolarHBondContact OE1-ND2 3.15Å
73A91.9Very high92.6Very high84 Ų8454 Ų5469%0.69430%0.296SS*.Hα-helixtrans-70.7-23.9-177.700000113.4T69 K70T69-A73 VanDerWaalsContact O-CB 3.27Å; T69-A73 WeakPolarHBondContact O-CB 3.19Å; T69-A73 PolarHBondContact O-N 3Å; K70-A73 PolarHBondContact O-N 3.5Å
74Q89.7Confident92.7Very high60 Ų6054.7 Ų54.728%0.2830%0.3SS..THydrogen-bonded Turntrans-91.9-3.1175.4-66.1-165.54.700113.7K70 Q72K70-Q74 WeakPolarHBondContact O-CG 3.36Å; K70-Q74 PolarHBondContact O-N 3.44Å; K70-Q74 VanDerWaalsContact O-N 3.1Å; Q72-Q74 VanDerWaalsContact C-N 3.29Å; Q72-Q74 PolarHBondContact O-N 3.33Å
75S91.6Very high92.8Very high14 Ų1453.1 Ų53.110%0.09829%0.289CS..  trans-107.7141.9-177.364.70000112C71 Q72 D80 N81C71-S75 WeakPolarHBondContact O-CB 3.1Å; C71-S75 PolarHBondContact O-N 3.04Å; C71-S75 PolarHBondContact O-OG 2.86Å; Q72-S75 WeakPolarHBondContact CA-OG 3.27Å; Q72-S75 PolarHBondContact O-N 2.91Å; Q72-S75 PolarHBondContact O-OG 3.5Å; S75-D80 WeakPolarHBondContact CA-OD1 3.45Å; S75-D80 WeakPolarHBondContact CB-OD1 3.49Å; S75-N81 PolarHBondContact OG-ND2 2.87Å
76T90Very high92.9Very high128 Ų12846.4 Ų46.479%0.78525%0.253SS*.SBendtrans-100.1-18.3170.664.70000112.5D80T76-D80 WeakPolarHBondContact CB-OD2 3.43Å; T76-D80 PolarHBondContact N-OD1 3.1Å; T76-D80 PolarHBondContact N-OD2 3.22Å; T76-D80 PolarHBondContact OG1-OD2 2.78Å
77S90.6Very high93Very high40 Ų4038.5 Ų38.528%0.2822%0.219SC..SBendtrans-146.1-179.7-177.482.80000111F79 D80 N81 E117S77-F79 PolarHBondContact O-N 2.98Å; S77-F79 WeakPolarHBondContact OG-CB 3.23Å; S77-F79 PolarHBondContact OG-N 3.22Å; S77-D80 PolarHBondContact N-OD1 3.3Å; S77-D80 PolarHBondContact OG-OD1 3.03Å; S77-N81 PolarHBondContact O-N 3.47Å; S77-E117 PolarHBondContact OG-OE1 2.91Å; S77-E117 VanDerWaalsContact OG-OE1 3.05Å
78N88Confident93.1Very high78 Ų7838.4 Ų38.442%0.41722%0.218SC..SBendtrans-70.3-20.9170.2-73.4-10.9000112.2L84N78-L84 HydrophobicContact CB-CD1 3.86Å; N78-L84 WeakPolarHBondContact OD1-CD1 3.49Å
79F91.5Very high93.2Very high30 Ų3035.8 Ų35.813%0.13220%0.204CC..SBendtrans-76.1-42.4-174.9-165.8-83.7000111.6S77 E117 I120 L131 F134 K135 L138S77-F79 PolarHBondContact O-N 2.98Å; S77-F79 WeakPolarHBondContact OG-CB 3.23Å; S77-F79 PolarHBondContact OG-N 3.22Å; F79-E117 HydrophobicContact CB-CG 4.46Å; F79-E117 HydrophobicContact CD1-CB 3.68Å; F79-E117 HydrophobicContact CD1-CG 3.7Å; F79-E117 HydrophobicContact CE1-CB 3.93Å; F79-E117 HydrophobicContact CE1-CG 4.44Å; F79-E117 HydrophobicContact CG-CG 4.45Å; F79-I120 HydrophobicContact CD1-CG2 4.44Å; F79-I120 HydrophobicContact CE1-CB 4.18Å; F79-I120 HydrophobicContact CE1-CG2 3.89Å; F79-I120 HydrophobicContact CZ-CG2 4.35Å; F79-I120 WeakPolarHBondContact O-CD1 3.34Å; F79-L131 HydrophobicContact CZ-CD1 4.26Å; F79-F134 HydrophobicContact CD2-CE1 4.31Å; F79-F134 HydrophobicContact CE2-CD1 4.06Å; F79-F134 AromaticContact CE2-CE1 3.76Å; F79-F134 HydrophobicContact CE2-CE1 3.76Å; F79-F134 HydrophobicContact CZ-CD1 4.44Å; F79-F134 HydrophobicContact CZ-CE1 4.02Å; F79-K135 HydrophobicContact CD2-CG 4.41Å; F79-K135 HydrophobicContact CE2-CG 3.71Å; F79-L138 HydrophobicContact CB-CD1 4.32Å; F79-L138 HydrophobicContact CD2-CD1 3.46Å; F79-L138 VanDerWaalsContact CD2-CD1 3.46Å; F79-L138 HydrophobicContact CE2-CD1 4Å; F79-L138 HydrophobicContact CG-CD1 4.1Å
80D91.8Very high93.2Very high8 Ų833.6 Ų33.64%0.04319%0.189CC..SBendtrans-86.4-1.8176.563.30.5000114.2S75 T76 S77 I82 I115 E117 I120S75-D80 WeakPolarHBondContact CA-OD1 3.45Å; S75-D80 WeakPolarHBondContact CB-OD1 3.49Å; T76-D80 WeakPolarHBondContact CB-OD2 3.43Å; T76-D80 PolarHBondContact N-OD1 3.1Å; T76-D80 PolarHBondContact N-OD2 3.22Å; T76-D80 PolarHBondContact OG1-OD2 2.78Å; S77-D80 PolarHBondContact N-OD1 3.3Å; S77-D80 PolarHBondContact OG-OD1 3.03Å; D80-I82 PolarHBondContact O-N 2.69Å; D80-I115 HydrophobicContact CB-CG2 4.46Å; D80-I115 WeakPolarHBondContact O-CG2 3.49Å; D80-E117 HydrophobicContact CB-CG 4.13Å; D80-I120 HydrophobicContact CB-CD1 4.43Å
81N94.4Very high93.2Very high6 Ų632.7 Ų32.73%0.03219%0.188CC..  trans-76104.2170.6-170.2-53.9000111.3Q72 S75 S77 A83 L84 A85Q72-N81 PolarHBondContact OE1-ND2 3.15Å; S75-N81 PolarHBondContact OG-ND2 2.87Å; S77-N81 PolarHBondContact O-N 3.47Å; N81-A83 PolarHBondContact O-N 3.43Å; N81-A83 VanDerWaalsContact O-N 3.14Å; N81-A83 WeakPolarHBondContact OD1-CB 3.29Å; N81-A83 PolarHBondContact OD1-N 2.93Å; N81-A83 VanDerWaalsContact OD1-N 3.09Å; N81-L84 HydrophobicContact CB-CB 4.28Å; N81-L84 HydrophobicContact CB-CD1 4.12Å; N81-L84 HydrophobicContact CB-CG 4.26Å; N81-L84 PolarHBondContact O-N 3Å; N81-L84 VanDerWaalsContact O-N 3.1Å; N81-L84 PolarHBondContact OD1-N 3.48Å; N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.05Å
82I95.1Very high93.3Very high2 Ų234 Ų341%0.0119%0.194CC..Hα-helixtrans-58.8-29.3-176.5-167.3160.7000114.4P32 F33 C71 D80 Y86 I101 M104 I108 I115P32-I82 HydrophobicContact CB-CD1 3.66Å; P32-I82 HydrophobicContact CB-CG1 4.33Å; P32-I82 HydrophobicContact CB-CG2 4.39Å; P32-I82 HydrophobicContact CG-CD1 4.31Å; P32-I82 HydrophobicContact CG-CG1 4.46Å; P32-I82 HydrophobicContact CG-CG2 4.21Å; F33-I82 HydrophobicContact CE2-CG2 4.14Å; F33-I82 HydrophobicContact CZ-CG2 3.71Å; C71-I82 HydrophobicContact CB-CG2 4.06Å; C71-I82 WeakPolarHBondContact SG-CG2 3.46Å; D80-I82 PolarHBondContact O-N 2.69Å; I82-Y86 VanDerWaalsContact O-CB 3.28Å; I82-Y86 WeakPolarHBondContact O-CB 3.48Å; I82-Y86 PolarHBondContact O-N 3.44Å; I82-I101 HydrophobicContact CD1-CD1 4.27Å; I82-I101 HydrophobicContact CG1-CD1 4.09Å; I82-M104 HydrophobicContact CD1-CB 3.98Å; I82-M104 HydrophobicContact CD1-CE 4.14Å; I82-M104 HydrophobicContact CD1-CG 4.29Å; I82-I108 HydrophobicContact CD1-CD1 4.31Å; I82-I115 HydrophobicContact CB-CD1 3.67Å; I82-I115 HydrophobicContact CD1-CD1 3.57Å; I82-I115 HydrophobicContact CG1-CD1 4.17Å; I82-I115 HydrophobicContact CG2-CD1 3.98Å
83A95.2Very high93.3Very high4 Ų430.1 Ų30.13%0.03318%0.183CC..Hα-helixtrans-68.6-4617700000111.1L61 L68 C71 N81 Y86 K87L61-A83 HydrophobicContact CD2-CB 3.45Å; L61-A83 VanDerWaalsContact CD2-CB 3.45Å; L68-A83 HydrophobicContact CD2-CB 4.15Å; C71-A83 HydrophobicContact CB-CB 4.1Å; N81-A83 PolarHBondContact O-N 3.43Å; N81-A83 VanDerWaalsContact O-N 3.14Å; N81-A83 WeakPolarHBondContact OD1-CB 3.29Å; N81-A83 PolarHBondContact OD1-N 2.93Å; N81-A83 VanDerWaalsContact OD1-N 3.09Å; A83-Y86 PolarHBondContact O-N 3.34Å; A83-K87 WeakPolarHBondContact O-CG 3.42Å; A83-K87 PolarHBondContact O-N 3.41Å; A83-K87 VanDerWaalsContact O-N 3.16Å
84L94.8Very high93.4Very high22 Ų2232.9 Ų32.912%0.11518%0.176CC..Hα-helixtrans-68.9-42.5176.9-63.5178.7000111.4N78 N81 Y86 K87 A88 L138 L143 L147N78-L84 HydrophobicContact CB-CD1 3.86Å; N78-L84 WeakPolarHBondContact OD1-CD1 3.49Å; N81-L84 HydrophobicContact CB-CB 4.28Å; N81-L84 HydrophobicContact CB-CD1 4.12Å; N81-L84 HydrophobicContact CB-CG 4.26Å; N81-L84 PolarHBondContact O-N 3Å; N81-L84 VanDerWaalsContact O-N 3.1Å; N81-L84 PolarHBondContact OD1-N 3.48Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.38Å; L84-K87 PolarHBondContact O-N 3.28Å; L84-K87 VanDerWaalsContact O-N 3.16Å; L84-A88 PolarHBondContact O-N 2.69Å; L84-L138 HydrophobicContact CB-CD2 4.03Å; L84-L143 HydrophobicContact CD2-CB 4.29Å; L84-L147 HydrophobicContact CD2-CD1 3.9Å
85A95.5Very high93.4Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-58.6-42.8174.900000111.5N81 K87 A88 A89 F100 I120 F134N81-A85 WeakPolarHBondContact O-CB 3.46Å; N81-A85 PolarHBondContact O-N 3.05Å; A85-K87 PolarHBondContact O-N 3.02Å; A85-A88 PolarHBondContact O-N 2.95Å; A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.16Å; A85-F100 HydrophobicContact CB-CE1 4.07Å; A85-F100 HydrophobicContact CB-CZ 3.84Å; A85-I120 HydrophobicContact CB-CD1 4.27Å; A85-F134 HydrophobicContact CB-CE2 4.39Å; A85-F134 HydrophobicContact CB-CZ 3.85Å; A85-F134 WeakPolarHBondContact O-CE2 3.44Å
86Y96.1Very high93.4Very high3 Ų338.6 Ų38.61%0.01220%0.202CC..Hα-helixtrans-60.9-45.1174.9-177-126.2000112.2F30 H59 L61 I82 A83 L84 A88 A89 E90 A97 F100 I101F30-Y86 AromaticContact CE1-CE1 3.93Å; F30-Y86 HydrophobicContact CE1-CE1 3.93Å; F30-Y86 AromaticContact CE1-CZ 3.97Å; F30-Y86 HydrophobicContact CZ-CD1 4.1Å; F30-Y86 AromaticContact CZ-CE1 3.83Å; F30-Y86 HydrophobicContact CZ-CE1 3.83Å; F30-Y86 HydrophobicContact CZ-CE2 4.33Å; F30-Y86 HydrophobicContact CZ-CG 4.48Å; F30-Y86 AromaticContact CZ-CZ 3.94Å; H59-Y86 PolarHBondContact O-OH 3.21Å; H59-Y86 VanDerWaalsContact O-OH 3.11Å; L61-Y86 HydrophobicContact CB-CD1 4.03Å; L61-Y86 HydrophobicContact CB-CE1 4.26Å; I82-Y86 VanDerWaalsContact O-CB 3.28Å; I82-Y86 WeakPolarHBondContact O-CB 3.48Å; I82-Y86 PolarHBondContact O-N 3.44Å; A83-Y86 PolarHBondContact O-N 3.34Å; L84-Y86 VanDerWaalsContact C-N 3.31Å; L84-Y86 PolarHBondContact O-N 3.38Å; Y86-A88 PolarHBondContact O-N 3.11Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 3.05Å; Y86-E90 HydrophobicContact CD2-CG 4.42Å; Y86-E90 HydrophobicContact CE1-CG 4.14Å; Y86-E90 HydrophobicContact CE2-CG 4.05Å; Y86-E90 PolarHBondContact O-N 3.26Å; Y86-A97 HydrophobicContact CD2-CB 4.28Å; Y86-A97 HydrophobicContact CE2-CB 3.86Å; Y86-F100 HydrophobicContact CD2-CD1 4.47Å; Y86-I101 HydrophobicContact CD2-CB 4.45Å; Y86-I101 HydrophobicContact CD2-CD1 3.69Å; Y86-I101 HydrophobicContact CD2-CG1 3.12Å; Y86-I101 HydrophobicContact CE2-CB 4.42Å; Y86-I101 HydrophobicContact CE2-CD1 4.43Å; Y86-I101 HydrophobicContact CE2-CG1 3.42Å; Y86-I101 VanDerWaalsContact CE2-CG1 3.42Å; Y86-I101 HydrophobicContact CG-CD1 3.97Å; Y86-I101 HydrophobicContact CG-CG1 3.84Å
87K95.4Very high93.7Very high1 Ų132.5 Ų32.50%0.00417%0.165CC..Hα-helixtrans-64.7-39.3178.2-67.9-42.8-171.6175.60113A83 L84 A85 A89 E90 L91 L143 L147 D150A83-K87 WeakPolarHBondContact O-CG 3.42Å; A83-K87 PolarHBondContact O-N 3.41Å; A83-K87 VanDerWaalsContact O-N 3.16Å; L84-K87 PolarHBondContact O-N 3.28Å; L84-K87 VanDerWaalsContact O-N 3.16Å; A85-K87 PolarHBondContact O-N 3.02Å; K87-A89 VanDerWaalsContact C-N 3.33Å; K87-E90 WeakPolarHBondContact CD-OE2 3.17Å; K87-E90 WeakPolarHBondContact CE-OE2 3.45Å; K87-E90 IonicContact NZ-OE2 2.96Å; K87-E90 PolarHBondContact NZ-OE2 3.3Å; K87-E90 PolarHBondContact O-N 3.09Å; K87-L91 PolarHBondContact O-N 3.34Å; K87-L143 HydrophobicContact CB-CB 4.46Å; K87-L143 HydrophobicContact CB-CD2 3.8Å; K87-L147 HydrophobicContact CD-CD2 4.34Å; K87-L147 HydrophobicContact CG-CD2 3.81Å; K87-L147 HydrophobicContact CG-CG 3.88Å; K87-D150 WeakPolarHBondContact CE-OD2 3.25Å; K87-D150 IonicContact NZ-OD1 3.74Å; K87-D150 PolarHBondContact NZ-OD1 2.79Å; K87-D150 IonicContact NZ-OD2 3.39Å; K87-D150 PolarHBondContact NZ-OD2 3.46Å
88A95.6Very high93.8Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-63.6-41.2173.100000111.2L84 A85 Y86 E90 L91 F134 D137 L138 L143L84-A88 PolarHBondContact O-N 2.69Å; A85-A88 PolarHBondContact O-N 2.95Å; Y86-A88 PolarHBondContact O-N 3.11Å; A88-E90 VanDerWaalsContact C-N 3.35Å; A88-E90 PolarHBondContact O-N 3.06Å; A88-L91 WeakPolarHBondContact O-CB 3.3Å; A88-L91 PolarHBondContact O-N 3.02Å; A88-F134 HydrophobicContact CB-CD2 3.71Å; A88-F134 HydrophobicContact CB-CE2 3.55Å; A88-F134 HydrophobicContact CB-CZ 4.34Å; A88-D137 HydrophobicContact CB-CB 4.13Å; A88-L138 HydrophobicContact CB-CD2 3.86Å; A88-L138 HydrophobicContact CB-CG 3.91Å; A88-L143 HydrophobicContact CB-CD1 4.23Å; A88-L143 HydrophobicContact CB-CD2 4.3Å
89A95.7Very high93.9Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-61.8-40.2174.600000112.6A85 Y86 K87 L91 Q92 A97 F100 I129A85-A89 WeakPolarHBondContact O-CB 3.37Å; A85-A89 PolarHBondContact O-N 3.16Å; Y86-A89 WeakPolarHBondContact O-CB 3.47Å; Y86-A89 PolarHBondContact O-N 3.05Å; K87-A89 VanDerWaalsContact C-N 3.33Å; A89-L91 VanDerWaalsContact C-N 3.26Å; A89-L91 PolarHBondContact O-N 2.9Å; A89-Q92 PolarHBondContact O-N 3.18Å; A89-Q92 VanDerWaalsContact O-N 3.09Å; A89-A97 HydrophobicContact CB-CB 3.91Å; A89-F100 HydrophobicContact CB-CB 4.4Å; A89-F100 HydrophobicContact CB-CD1 3.93Å; A89-F100 HydrophobicContact CB-CG 4.26Å; A89-I129 HydrophobicContact CB-CD1 3.51Å
90E95Very high94.1Very high32 Ų3227.8 Ų27.815%0.1514%0.135CC..Hα-helixtrans-61.2-32.1177.5-78.6-170.3111.500113.2Y86 K87 A88 Q92 G93 A97Y86-E90 HydrophobicContact CD2-CG 4.42Å; Y86-E90 HydrophobicContact CE1-CG 4.14Å; Y86-E90 HydrophobicContact CE2-CG 4.05Å; Y86-E90 PolarHBondContact O-N 3.26Å; K87-E90 WeakPolarHBondContact CD-OE2 3.17Å; K87-E90 WeakPolarHBondContact CE-OE2 3.45Å; K87-E90 IonicContact NZ-OE2 2.96Å; K87-E90 PolarHBondContact NZ-OE2 3.3Å; K87-E90 PolarHBondContact O-N 3.09Å; A88-E90 VanDerWaalsContact C-N 3.35Å; A88-E90 PolarHBondContact O-N 3.06Å; E90-Q92 PolarHBondContact O-N 3.49Å; E90-G93 PolarHBondContact O-N 2.9Å; E90-A97 HydrophobicContact CB-CB 4.2Å; E90-A97 HydrophobicContact CG-CB 3.58Å
91L93.8Very high94.3Very high62 Ų6227.8 Ų27.833%0.32514%0.135SC..Hα-helixtrans-62.8-27.1175.7-65.5176.9000112.7K87 A88 A89 D137 K142 L143K87-L91 PolarHBondContact O-N 3.34Å; A88-L91 WeakPolarHBondContact O-CB 3.3Å; A88-L91 PolarHBondContact O-N 3.02Å; A89-L91 VanDerWaalsContact C-N 3.26Å; A89-L91 PolarHBondContact O-N 2.9Å; L91-D137 HydrophobicContact CD1-CB 4Å; L91-K142 HydrophobicContact CD2-CD 4.18Å; L91-L143 HydrophobicContact CD1-CD2 3.75Å; L91-L143 HydrophobicContact CG-CD2 4.47Å
92Q94.3Very high94.2Very high29 Ų2928.1 Ų28.114%0.13614%0.137CC..THydrogen-bonded Turntrans-93.45176.5-63.2-165.839.100113.9A89 E90 R96 I129 D130 V133 F134A89-Q92 PolarHBondContact O-N 3.18Å; A89-Q92 VanDerWaalsContact O-N 3.09Å; E90-Q92 PolarHBondContact O-N 3.49Å; Q92-R96 PolarHBondContact O-NH1 3.38Å; Q92-I129 HydrophobicContact CB-CG2 4.34Å; Q92-I129 VanDerWaalsContact CD-CG2 3.48Å; Q92-I129 HydrophobicContact CG-CG2 4.33Å; Q92-D130 PolarHBondContact NE2-O 3.31Å; Q92-V133 HydrophobicContact CG-CG1 4.34Å; Q92-F134 VanDerWaalsContact NE2-N 3.17Å
93G93.7Very high94.1Very high29 Ų2928.2 Ų28.230%0.29914%0.137SC..  trans122.5134.4171.100000113.9E90 V95 R96 A97E90-G93 PolarHBondContact O-N 2.9Å; G93-V95 PolarHBondContact O-N 3.31Å; G93-R96 PolarHBondContact O-N 3.31Å; G93-A97 PolarHBondContact O-N 2.86Å
94R92.8Very high94.1Very high142 Ų14228 Ų2854%0.53614%0.136SC..Hα-helixtrans-54.9-46.4-174.6-62.9-179.5-176.81751.4113.7R96 A97 E98R94-R96 PolarHBondContact O-N 3.27Å; R94-A97 PolarHBondContact O-N 2.96Å; R94-A97 VanDerWaalsContact O-N 3.16Å; R94-E98 VanDerWaalsContact O-CG 3.29Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.67Å
95V90.8Very high94Very high88 Ų8827.3 Ų27.353%0.53313%0.132SC..Hα-helixtrans-61.4-34.2-179.7-177.90000112.2G93 R99G93-V95 PolarHBondContact O-N 3.31Å; V95-R99 PolarHBondContact O-N 3.48Å
96R92.2Very high93.8Very high107 Ų10727.3 Ų27.340%0.40413%0.132SC..Hα-helixtrans-76.2-40.5177.4-62.8178-176.4141.1-3.7110.8Q92 G93 R94 R99 F100 G128 I129Q92-R96 PolarHBondContact O-NH1 3.38Å; G93-R96 PolarHBondContact O-N 3.31Å; R94-R96 PolarHBondContact O-N 3.27Å; R96-R99 PolarHBondContact O-N 3.11Å; R96-F100 PolarHBondContact O-N 3Å; R96-G128 WeakPolarHBondContact CD-O 3.46Å; R96-I129 HydrophobicContact CB-CD1 4.29Å; R96-I129 HydrophobicContact CB-CG1 3.78Å
97A94.9Very high93.6Very high0 Ų028.8 Ų28.80%014%0.138CC..Hα-helixtrans-63.7-42177.200000113.2Y86 A89 E90 G93 R94 R99 F100 I101Y86-A97 HydrophobicContact CD2-CB 4.28Å; Y86-A97 HydrophobicContact CE2-CB 3.86Å; A89-A97 HydrophobicContact CB-CB 3.91Å; E90-A97 HydrophobicContact CB-CB 4.2Å; E90-A97 HydrophobicContact CG-CB 3.58Å; G93-A97 PolarHBondContact O-N 2.86Å; R94-A97 PolarHBondContact O-N 2.96Å; R94-A97 VanDerWaalsContact O-N 3.16Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.13Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.35Å; A97-I101 PolarHBondContact O-N 3.38Å
98E93.1Very high93.5Very high27 Ų2729 Ų2913%0.12614%0.14CC..Hα-helixtrans-61.8-42.3175.2-71.5174155.900111.3R48 H59 R94 F100 I101 H102R48-E98 IonicContact CZ-OE1 3.8Å; R48-E98 IonicContact CZ-OE2 2.69Å; R48-E98 IonicContact NH1-OE1 3.82Å; R48-E98 IonicContact NH1-OE2 3.81Å; R48-E98 PolarHBondContact NH1-OE2 3.21Å; R48-E98 IonicContact NH2-OE1 2.67Å; R48-E98 PolarHBondContact NH2-OE1 3.39Å; R48-E98 IonicContact NH2-OE2 2.6Å; R48-E98 PolarHBondContact NH2-OE2 3.26Å; R48-E98 VanDerWaalsContact NH2-OE2 3.13Å; H59-E98 HydrophobicContact CB-CG 4.21Å; H59-E98 IonicContact CE1-OE1 2.56Å; H59-E98 IonicContact CG-OE1 3.91Å; H59-E98 IonicContact ND1-OE1 2.85Å; H59-E98 PolarHBondContact ND1-OE1 3.39Å; R94-E98 VanDerWaalsContact O-CG 3.29Å; R94-E98 WeakPolarHBondContact O-CG 3.33Å; R94-E98 PolarHBondContact O-N 2.67Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.36Å; E98-I101 PolarHBondContact O-N 3.23Å; E98-H102 WeakPolarHBondContact O-CB 3.22Å; E98-H102 PolarHBondContact O-N 3.46Å
99R91.2Very high93.2Very high21 Ų2130.3 Ų30.38%0.07915%0.146CC..Hα-helixtrans-64.4-39.7174.4-166.8-178.5-50.3-173-4.7112.2V95 R96 A97 I101 H102 L103 Q214 K264V95-R99 PolarHBondContact O-N 3.48Å; R96-R99 PolarHBondContact O-N 3.11Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3.13Å; R99-I101 VanDerWaalsContact C-N 3.32Å; R99-I101 PolarHBondContact O-N 3.46Å; R99-H102 WeakPolarHBondContact O-CB 3.29Å; R99-H102 PolarHBondContact O-N 3.16Å; R99-L103 HydrophobicContact CG-CD1 4.02Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 WeakPolarHBondContact O-CD1 3.48Å; R99-L103 VanDerWaalsContact O-CG 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.27Å; R99-L103 PolarHBondContact O-N 2.91Å; R99-Q214 PolarHBondContact NE-O 3.44Å; R99-Q214 PolarHBondContact NH1-O 2.52Å; R99-Q214 PolarHBondContact NH2-O 3.19Å; R99-K264 VanDerWaalsContact NH1-NZ 3.13Å
100F95.4Very high92.8Very high0 Ų030.4 Ų30.40%015%0.147CC..Hα-helixtrans-56.8-47.7174.6164.2-104.8000111A85 Y86 A89 R96 A97 E98 L103 M104 I120 C123 I124 A127 I129A85-F100 HydrophobicContact CB-CE1 4.07Å; A85-F100 HydrophobicContact CB-CZ 3.84Å; Y86-F100 HydrophobicContact CD2-CD1 4.47Å; A89-F100 HydrophobicContact CB-CB 4.4Å; A89-F100 HydrophobicContact CB-CD1 3.93Å; A89-F100 HydrophobicContact CB-CG 4.26Å; R96-F100 PolarHBondContact O-N 3Å; A97-F100 WeakPolarHBondContact O-CB 3.46Å; A97-F100 PolarHBondContact O-N 3.35Å; E98-F100 VanDerWaalsContact C-N 3.33Å; E98-F100 PolarHBondContact O-N 3.36Å; F100-L103 PolarHBondContact O-N 2.96Å; F100-M104 HydrophobicContact CD2-CG 4.07Å; F100-M104 HydrophobicContact CE1-CG 4.12Å; F100-M104 HydrophobicContact CE2-CG 3.57Å; F100-M104 HydrophobicContact CE2-SD 3.88Å; F100-M104 HydrophobicContact CZ-CG 3.6Å; F100-M104 HydrophobicContact CZ-SD 4.12Å; F100-M104 WeakPolarHBondContact O-CG 3.47Å; F100-M104 PolarHBondContact O-N 3.11Å; F100-I120 HydrophobicContact CE2-CG2 4.19Å; F100-I120 HydrophobicContact CZ-CG2 4.35Å; F100-C123 HydrophobicContact CD2-CB 3.77Å; F100-C123 HydrophobicContact CE2-CB 3.86Å; F100-I124 HydrophobicContact CD2-CD1 3.56Å; F100-I124 HydrophobicContact CD2-CG1 4.04Å; F100-I124 HydrophobicContact CE2-CD1 3.65Å; F100-I124 HydrophobicContact CE2-CG1 3.88Å; F100-I124 HydrophobicContact CG-CD1 4.14Å; F100-I124 HydrophobicContact CZ-CD1 4.3Å; F100-A127 HydrophobicContact CB-CB 3.81Å; F100-I129 HydrophobicContact CB-CD1 3.85Å; F100-I129 HydrophobicContact CG-CD1 4.4Å
101I95.5Very high92.5Very high9 Ų932 Ų325%0.04615%0.154CC..Hα-helixtrans-64.9-42.4176.3-71.5-56.1000112.4F30 I82 Y86 A97 E98 R99 L103 M104 Q105F30-I101 HydrophobicContact CD2-CG2 4.08Å; F30-I101 HydrophobicContact CE2-CB 4.41Å; F30-I101 HydrophobicContact CE2-CD1 4.33Å; F30-I101 HydrophobicContact CE2-CG1 4.13Å; F30-I101 HydrophobicContact CE2-CG2 3.47Å; F30-I101 VanDerWaalsContact CE2-CG2 3.47Å; F30-I101 HydrophobicContact CZ-CB 4.45Å; F30-I101 HydrophobicContact CZ-CD1 4.43Å; F30-I101 HydrophobicContact CZ-CG1 3.93Å; F30-I101 HydrophobicContact CZ-CG2 3.9Å; I82-I101 HydrophobicContact CD1-CD1 4.27Å; I82-I101 HydrophobicContact CG1-CD1 4.09Å; Y86-I101 HydrophobicContact CD2-CB 4.45Å; Y86-I101 HydrophobicContact CD2-CD1 3.69Å; Y86-I101 HydrophobicContact CD2-CG1 3.12Å; Y86-I101 HydrophobicContact CE2-CB 4.42Å; Y86-I101 HydrophobicContact CE2-CD1 4.43Å; Y86-I101 HydrophobicContact CE2-CG1 3.42Å; Y86-I101 VanDerWaalsContact CE2-CG1 3.42Å; Y86-I101 HydrophobicContact CG-CD1 3.97Å; Y86-I101 HydrophobicContact CG-CG1 3.84Å; A97-I101 PolarHBondContact O-N 3.38Å; E98-I101 PolarHBondContact O-N 3.23Å; R99-I101 VanDerWaalsContact C-N 3.32Å; R99-I101 PolarHBondContact O-N 3.46Å; I101-L103 VanDerWaalsContact C-N 3.28Å; I101-L103 PolarHBondContact O-N 3.45Å; I101-M104 PolarHBondContact O-N 3.06Å; I101-Q105 HydrophobicContact CG2-CG 4.16Å; I101-Q105 WeakPolarHBondContact O-CB 3.44Å; I101-Q105 VanDerWaalsContact O-CG 3.31Å; I101-Q105 WeakPolarHBondContact O-CG 3.42Å; I101-Q105 PolarHBondContact O-N 3.08Å
102H91.9Very high92Very high13 Ų1338 Ų386%0.0617%0.172CC..Hα-helixtrans-55-46.2174.4-179.974.6000111.8E98 R99 Q105 N106 L217 E222E98-H102 WeakPolarHBondContact O-CB 3.22Å; E98-H102 PolarHBondContact O-N 3.46Å; R99-H102 WeakPolarHBondContact O-CB 3.29Å; R99-H102 PolarHBondContact O-N 3.16Å; H102-Q105 PolarHBondContact O-N 2.89Å; H102-N106 PolarHBondContact CD2-ND2 3.05Å; H102-N106 PolarHBondContact NE2-ND2 3.5Å; H102-N106 VanDerWaalsContact NE2-ND2 3.11Å; H102-N106 WeakPolarHBondContact O-CB 3.25Å; H102-N106 VanDerWaalsContact O-CG 3.29Å; H102-N106 PolarHBondContact O-N 3.03Å; H102-N106 PolarHBondContact O-ND2 3.21Å; H102-L217 PolarHBondContact NE2-O 3.18Å; H102-E222 IonicContact CE1-OE1 3.33Å; H102-E222 IonicContact CE1-OE2 2.67Å; H102-E222 PolarHBondContact CE1-OE2 2.89Å; H102-E222 VanDerWaalsContact CE1-OE2 3.26Å; H102-E222 IonicContact NE2-OE1 3.46Å; H102-E222 IonicContact NE2-OE2 3.13Å; H102-E222 PolarHBondContact NE2-OE2 3.45Å
103L92.7Very high91.5Very high4 Ų440.5 Ų40.52%0.02119%0.186CC..Hα-helixtrans-64.9-45.6177.1-69.4164.8000111.9R99 F100 I101 Q105 N106 E107 C123 N126 A127 L217R99-L103 HydrophobicContact CG-CD1 4.02Å; R99-L103 HydrophobicContact CG-CG 4.37Å; R99-L103 WeakPolarHBondContact O-CB 3.45Å; R99-L103 WeakPolarHBondContact O-CD1 3.48Å; R99-L103 VanDerWaalsContact O-CG 3.23Å; R99-L103 WeakPolarHBondContact O-CG 3.27Å; R99-L103 PolarHBondContact O-N 2.91Å; F100-L103 PolarHBondContact O-N 2.96Å; I101-L103 VanDerWaalsContact C-N 3.28Å; I101-L103 PolarHBondContact O-N 3.45Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.36Å; L103-N106 PolarHBondContact O-N 3.34Å; L103-E107 WeakPolarHBondContact O-CG 3.23Å; L103-E107 PolarHBondContact O-N 3.08Å; L103-E107 VanDerWaalsContact O-N 3.11Å; L103-C123 HydrophobicContact CB-CB 4.08Å; L103-N126 HydrophobicContact CD1-CB 3.68Å; L103-A127 HydrophobicContact CD1-CB 4.22Å; L103-L217 HydrophobicContact CD2-CB 3.61Å; L103-L217 HydrophobicContact CD2-CD2 4.42Å
104M94.8Very high91.3Very high0 Ų044.3 Ų44.30%020%0.198CC..Hα-helixtrans-58.6-44.8175.8-74.1-58.5-57.400111.4I82 F100 I101 N106 E107 I108 I115 M119 I120 C123I82-M104 HydrophobicContact CD1-CB 3.98Å; I82-M104 HydrophobicContact CD1-CE 4.14Å; I82-M104 HydrophobicContact CD1-CG 4.29Å; F100-M104 HydrophobicContact CD2-CG 4.07Å; F100-M104 HydrophobicContact CE1-CG 4.12Å; F100-M104 HydrophobicContact CE2-CG 3.57Å; F100-M104 HydrophobicContact CE2-SD 3.88Å; F100-M104 HydrophobicContact CZ-CG 3.6Å; F100-M104 HydrophobicContact CZ-SD 4.12Å; F100-M104 WeakPolarHBondContact O-CG 3.47Å; F100-M104 PolarHBondContact O-N 3.11Å; I101-M104 PolarHBondContact O-N 3.06Å; M104-N106 PolarHBondContact O-N 2.88Å; M104-E107 PolarHBondContact O-N 2.99Å; M104-E107 VanDerWaalsContact O-N 3.14Å; M104-I108 HydrophobicContact CE-CG2 4.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.38Å; M104-I108 WeakPolarHBondContact O-CG2 3.18Å; M104-I108 PolarHBondContact O-N 2.66Å; M104-I115 HydrophobicContact CE-CB 4.49Å; M104-I115 HydrophobicContact CE-CD1 4.05Å; M104-I115 HydrophobicContact CE-CG1 4Å; M104-I115 HydrophobicContact CE-CG2 3.82Å; M104-M119 HydrophobicContact CE-CG 4.11Å; M104-M119 HydrophobicContact CE-SD 3.71Å; M104-M119 HydrophobicContact SD-CG 4.18Å; M104-M119 HydrophobicContact SD-SD 4.46Å; M104-I120 HydrophobicContact CE-CG1 3.89Å; M104-I120 HydrophobicContact SD-CG1 3.93Å; M104-C123 HydrophobicContact CG-CB 4.12Å; M104-C123 HydrophobicContact SD-CB 3.69Å
105Q94.4Very high91.3Very high7 Ų737.8 Ų37.83%0.03317%0.174CC..Hα-helixtrans-65.1-39.6179.1-70.7-170.8-55.300112.4D31 P32 F38 I101 H102 L103 E107 I109 P110D31-Q105 PolarHBondContact O-NE2 2.87Å; P32-Q105 WeakPolarHBondContact O-CG 3.15Å; P32-Q105 PolarHBondContact O-NE2 3.41Å; F38-Q105 HydrophobicContact CD2-CB 3.89Å; F38-Q105 HydrophobicContact CE2-CB 4.33Å; I101-Q105 HydrophobicContact CG2-CG 4.16Å; I101-Q105 WeakPolarHBondContact O-CB 3.44Å; I101-Q105 VanDerWaalsContact O-CG 3.31Å; I101-Q105 WeakPolarHBondContact O-CG 3.42Å; I101-Q105 PolarHBondContact O-N 3.08Å; H102-Q105 PolarHBondContact O-N 2.89Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.36Å; Q105-E107 PolarHBondContact O-N 2.81Å; Q105-I109 HydrophobicContact CB-CD1 4.11Å; Q105-I109 HydrophobicContact CG-CD1 4.29Å; Q105-I109 WeakPolarHBondContact O-CB 3.45Å; Q105-I109 PolarHBondContact O-N 3.43Å; Q105-P110 WeakPolarHBondContact O-CD 3.05Å
106N91.1Very high91.4Very high0 Ų035.8 Ų35.80%016%0.162CC..Hα-helixtrans-62.7-25.9173.5-77.3-29.6000113.3F38 H102 L103 M104 P110 L217 T219 Y252 F257F38-N106 WeakPolarHBondContact CE2-OD1 2.88Å; F38-N106 WeakPolarHBondContact CZ-OD1 3.42Å; H102-N106 PolarHBondContact CD2-ND2 3.05Å; H102-N106 PolarHBondContact NE2-ND2 3.5Å; H102-N106 VanDerWaalsContact NE2-ND2 3.11Å; H102-N106 WeakPolarHBondContact O-CB 3.25Å; H102-N106 VanDerWaalsContact O-CG 3.29Å; H102-N106 PolarHBondContact O-N 3.03Å; H102-N106 PolarHBondContact O-ND2 3.21Å; L103-N106 PolarHBondContact O-N 3.34Å; M104-N106 PolarHBondContact O-N 2.88Å; N106-P110 VanDerWaalsContact O-CD 3.3Å; N106-P110 WeakPolarHBondContact O-CD 3.34Å; N106-P110 WeakPolarHBondContact O-CG 3.17Å; N106-L217 HydrophobicContact CB-CD2 3.69Å; N106-L217 HydrophobicContact CB-CG 4.29Å; N106-L217 PolarHBondContact ND2-O 3.01Å; N106-T219 WeakPolarHBondContact OD1-CG2 3.42Å; N106-Y252 WeakPolarHBondContact O-CE2 3.26Å; N106-F257 HydrophobicContact CB-CD1 4.41Å; N106-F257 HydrophobicContact CB-CE1 3.92Å
107E91.3Very high91.5Very high33 Ų3335.1 Ų35.115%0.15416%0.164CC..Hα-helixtrans-86.4-46.8176.8-71-6612400111.8L103 M104 Q105 K111 M119 Y252L103-E107 WeakPolarHBondContact O-CG 3.23Å; L103-E107 PolarHBondContact O-N 3.08Å; L103-E107 VanDerWaalsContact O-N 3.11Å; M104-E107 PolarHBondContact O-N 2.99Å; M104-E107 VanDerWaalsContact O-N 3.14Å; Q105-E107 PolarHBondContact O-N 2.81Å; E107-K111 VanDerWaalsContact O-CB 3.24Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 WeakPolarHBondContact O-CD 3.46Å; E107-K111 VanDerWaalsContact O-CG 3.28Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 IonicContact OE1-NZ 2.65Å; E107-K111 PolarHBondContact OE1-NZ 2.84Å; E107-K111 WeakPolarHBondContact OE2-CE 3.41Å; E107-K111 IonicContact OE2-NZ 3.76Å; E107-K111 PolarHBondContact OE2-NZ 2.9Å; E107-M119 HydrophobicContact CB-CE 4.11Å; E107-M119 HydrophobicContact CB-CG 4.09Å; E107-M119 HydrophobicContact CB-SD 3.81Å; E107-M119 HydrophobicContact CG-CG 4.42Å; E107-Y252 PolarHBondContact OE1-OH 2.52Å
108I92.2Very high91.4Very high7 Ų738.8 Ų38.84%0.03619%0.189CC..Hα-helixtrans-81.9-41.2-17168.5-163000113.8F33 I82 M104 R112 D113 I115 M119F33-I108 HydrophobicContact CD1-CD1 4.06Å; F33-I108 HydrophobicContact CE1-CD1 4.31Å; I82-I108 HydrophobicContact CD1-CD1 4.31Å; M104-I108 HydrophobicContact CE-CG2 4.32Å; M104-I108 WeakPolarHBondContact O-CG1 3.38Å; M104-I108 WeakPolarHBondContact O-CG2 3.18Å; M104-I108 PolarHBondContact O-N 2.66Å; I108-R112 VanDerWaalsContact O-CA 3.25Å; I108-R112 WeakPolarHBondContact O-CA 3.49Å; I108-R112 PolarHBondContact O-N 3.3Å; I108-D113 PolarHBondContact O-N 3.46Å; I108-I115 HydrophobicContact CD1-CD1 4.42Å; I108-I115 HydrophobicContact CG2-CD1 4.32Å; I108-I115 HydrophobicContact CG2-CG1 3.68Å; I108-M119 HydrophobicContact CG2-CE 4.23Å; I108-M119 HydrophobicContact CG2-SD 3.54Å; I108-M119 VanDerWaalsContact CG2-SD 3.54Å
109I91Very high91.5Very high27 Ų2738.1 Ų38.114%0.13819%0.186CC..Hα-helixtrans-72.9-53.3-170.9-61.2176.7000110.7F38 Q105 K111 R112F38-I109 HydrophobicContact CB-CD1 3.53Å; F38-I109 HydrophobicContact CD1-CG2 4.46Å; F38-I109 HydrophobicContact CD2-CD1 3.99Å; F38-I109 HydrophobicContact CG-CD1 3.91Å; F38-I109 HydrophobicContact CG-CG2 4.46Å; Q105-I109 HydrophobicContact CB-CD1 4.11Å; Q105-I109 HydrophobicContact CG-CD1 4.29Å; Q105-I109 WeakPolarHBondContact O-CB 3.45Å; Q105-I109 PolarHBondContact O-N 3.43Å; I109-K111 PolarHBondContact O-N 3.1Å; I109-R112 PolarHBondContact O-N 3.27Å
110P87.6Confident91.7Very high2 Ų237.1 Ų37.11%0.01318%0.183CC..Hα-helixtrans-72.6-31.1-175.1-16.232000113.3F38 Q105 N106 Y252 P253 D254 F257F38-P110 HydrophobicContact CZ-CG 4.11Å; Q105-P110 WeakPolarHBondContact O-CD 3.05Å; N106-P110 VanDerWaalsContact O-CD 3.3Å; N106-P110 WeakPolarHBondContact O-CD 3.34Å; N106-P110 WeakPolarHBondContact O-CG 3.17Å; P110-Y252 HydrophobicContact CB-CD2 4.07Å; P110-Y252 HydrophobicContact CG-CD2 4.45Å; P110-P253 WeakPolarHBondContact O-CB 3.27Å; P110-P253 WeakPolarHBondContact O-CD 3.44Å; P110-D254 HydrophobicContact CB-CB 4.09Å; P110-F257 HydrophobicContact CB-CE2 3.81Å; P110-F257 HydrophobicContact CB-CZ 3.68Å; P110-F257 HydrophobicContact CG-CE1 3.96Å; P110-F257 HydrophobicContact CG-CE2 3.9Å; P110-F257 HydrophobicContact CG-CZ 3.22Å
111K87.1Confident91.7Very high66 Ų6638.6 Ų38.629%0.28719%0.192SC..Hα-helixtrans-84.5-17.8177.6-59.2-177.1-179.3177.40112.7E107 I109 D113 Y252E107-K111 VanDerWaalsContact O-CB 3.24Å; E107-K111 WeakPolarHBondContact O-CB 3.37Å; E107-K111 WeakPolarHBondContact O-CD 3.46Å; E107-K111 VanDerWaalsContact O-CG 3.28Å; E107-K111 WeakPolarHBondContact O-CG 3.35Å; E107-K111 IonicContact OE1-NZ 2.65Å; E107-K111 PolarHBondContact OE1-NZ 2.84Å; E107-K111 WeakPolarHBondContact OE2-CE 3.41Å; E107-K111 IonicContact OE2-NZ 3.76Å; E107-K111 PolarHBondContact OE2-NZ 2.9Å; I109-K111 PolarHBondContact O-N 3.1Å; K111-D113 HydrophobicContact CB-CB 3.94Å; K111-D113 PolarHBondContact O-N 3.37Å; K111-Y252 HydrophobicContact CD-CE2 4.49Å; K111-Y252 VanDerWaalsContact CE-OH 3.27Å; K111-Y252 WeakPolarHBondContact CE-OH 3.33Å; K111-Y252 HydrophobicContact CG-CD1 4.43Å; K111-Y252 HydrophobicContact CG-CD2 4.13Å; K111-Y252 HydrophobicContact CG-CE2 4.39Å; K111-Y252 HydrophobicContact CG-CG 4.16Å; K111-Y252 PolarHBondContact NZ-OH 3.18Å; K111-Y252 VanDerWaalsContact NZ-OH 3.11Å
112R83.8Confident91.5Very high188 Ų18842.5 Ų42.571%0.70921%0.213SC*.THydrogen-bonded Turntrans54.540.7-171.4-52.4179.5-170.91756.1111.3I108 I109 D254I108-R112 VanDerWaalsContact O-CA 3.25Å; I108-R112 WeakPolarHBondContact O-CA 3.49Å; I108-R112 PolarHBondContact O-N 3.3Å; I109-R112 PolarHBondContact O-N 3.27Å; R112-D254 IonicContact CZ-OD1 3.6Å; R112-D254 IonicContact NE-OD1 2.72Å; R112-D254 IonicContact NE-OD2 3.31Å; R112-D254 IonicContact NH2-OD1 3.78Å; R112-D254 PolarHBondContact NH2-OD1 3.04Å; R112-D254 IonicContact NH2-OD2 3.87Å
113D84.3Confident91.7Very high80 Ų8042.1 Ų42.143%0.42821%0.212SC..PPolyproline II helixtrans-96.9160.9-173.2-153.6-5.6000111.2I108 K111 M119I108-D113 PolarHBondContact O-N 3.46Å; K111-D113 HydrophobicContact CB-CB 3.94Å; K111-D113 PolarHBondContact O-N 3.37Å; D113-M119 HydrophobicContact CB-CE 4.27Å
114I89.2Confident91.8Very high109 Ų10941.9 Ų41.956%0.55921%0.211SC*.PPolyproline II helixtrans-83.6151.9172.158.6169.3000110.4T116 M119I114-T116 HydrophobicContact CG1-CG2 4.29Å; I114-T116 PolarHBondContact O-N 3.46Å; I114-M119 WeakPolarHBondContact O-CE 3.38Å
115I93.1Very high91.7Very high5 Ų547.5 Ų47.53%0.02624%0.237CC..PPolyproline II helixtrans-74130175.8-63.3-178.9000108.9F33 D80 I82 M104 I108 I120F33-I115 HydrophobicContact CE1-CD1 3.65Å; F33-I115 HydrophobicContact CE1-CG1 4.43Å; F33-I115 HydrophobicContact CZ-CD1 4.01Å; D80-I115 HydrophobicContact CB-CG2 4.46Å; D80-I115 WeakPolarHBondContact O-CG2 3.49Å; I82-I115 HydrophobicContact CB-CD1 3.67Å; I82-I115 HydrophobicContact CD1-CD1 3.57Å; I82-I115 HydrophobicContact CG1-CD1 4.17Å; I82-I115 HydrophobicContact CG2-CD1 3.98Å; M104-I115 HydrophobicContact CE-CB 4.49Å; M104-I115 HydrophobicContact CE-CD1 4.05Å; M104-I115 HydrophobicContact CE-CG1 4Å; M104-I115 HydrophobicContact CE-CG2 3.82Å; I108-I115 HydrophobicContact CD1-CD1 4.42Å; I108-I115 HydrophobicContact CG2-CD1 4.32Å; I108-I115 HydrophobicContact CG2-CG1 3.68Å; I115-I120 HydrophobicContact CG2-CD1 3.74Å; I115-I120 HydrophobicContact CG2-CG1 3.97Å
116T92.6Very high91.5Very high47 Ų4749.4 Ų49.429%0.28825%0.247SC..  trans-126.8156.7178.157.90000110.4I114 S118 M119 I120I114-T116 HydrophobicContact CG1-CG2 4.29Å; I114-T116 PolarHBondContact O-N 3.46Å; T116-S118 PolarHBondContact O-N 3.38Å; T116-S118 PolarHBondContact OG1-OG 2.86Å; T116-M119 WeakPolarHBondContact O-CB 3.41Å; T116-M119 PolarHBondContact O-N 3.26Å; T116-M119 WeakPolarHBondContact OG1-CB 3.45Å; T116-M119 PolarHBondContact OG1-N 2.98Å; T116-I120 PolarHBondContact O-N 3.08Å; T116-I120 VanDerWaalsContact O-N 3.08Å
117E93.5Very high91.5Very high93 Ų9349.4 Ų49.444%0.43525%0.247SC..Hα-helixtrans-59.7-35.8178.1-58.1-166.6159.100112S77 F79 D80 I120 C121S77-E117 PolarHBondContact OG-OE1 2.91Å; S77-E117 VanDerWaalsContact OG-OE1 3.05Å; F79-E117 HydrophobicContact CB-CG 4.46Å; F79-E117 HydrophobicContact CD1-CB 3.68Å; F79-E117 HydrophobicContact CD1-CG 3.7Å; F79-E117 HydrophobicContact CE1-CB 3.93Å; F79-E117 HydrophobicContact CE1-CG 4.44Å; F79-E117 HydrophobicContact CG-CG 4.45Å; D80-E117 HydrophobicContact CB-CG 4.13Å; E117-I120 PolarHBondContact O-N 3.4Å; E117-C121 PolarHBondContact O-N 3.3Å; E117-C121 PolarHBondContact O-SG 3.37Å
118S93.9Very high91.5Very high77 Ų7749.4 Ų49.454%0.53826%0.256SS..Hα-helixtrans-64.4-44.6175.952.70000112.1T116 I120 C121 D122T116-S118 PolarHBondContact O-N 3.38Å; T116-S118 PolarHBondContact OG1-OG 2.86Å; S118-I120 VanDerWaalsContact C-N 3.31Å; S118-I120 PolarHBondContact O-N 3.16Å; S118-C121 WeakPolarHBondContact O-CB 3.45Å; S118-C121 PolarHBondContact O-N 2.65Å; S118-D122 PolarHBondContact O-N 3.27Å
119M94.1Very high91.6Very high13 Ų1349.4 Ų49.46%0.06426%0.257CS..Hα-helixtrans-59.4-42.7175.8-178.5-171.3-68.800111.5M104 E107 I108 D113 I114 T116 D122 C123M104-M119 HydrophobicContact CE-CG 4.11Å; M104-M119 HydrophobicContact CE-SD 3.71Å; M104-M119 HydrophobicContact SD-CG 4.18Å; M104-M119 HydrophobicContact SD-SD 4.46Å; E107-M119 HydrophobicContact CB-CE 4.11Å; E107-M119 HydrophobicContact CB-CG 4.09Å; E107-M119 HydrophobicContact CB-SD 3.81Å; E107-M119 HydrophobicContact CG-CG 4.42Å; I108-M119 HydrophobicContact CG2-CE 4.23Å; I108-M119 HydrophobicContact CG2-SD 3.54Å; I108-M119 VanDerWaalsContact CG2-SD 3.54Å; D113-M119 HydrophobicContact CB-CE 4.27Å; I114-M119 WeakPolarHBondContact O-CE 3.38Å; T116-M119 WeakPolarHBondContact O-CB 3.41Å; T116-M119 PolarHBondContact O-N 3.26Å; T116-M119 WeakPolarHBondContact OG1-CB 3.45Å; T116-M119 PolarHBondContact OG1-N 2.98Å; M119-D122 PolarHBondContact O-N 3.45Å; M119-C123 WeakPolarHBondContact O-CB 3.37Å; M119-C123 PolarHBondContact O-N 2.8Å; M119-C123 PolarHBondContact O-SG 3.15Å
120I95.6Very high91.8Very high0 Ų052.2 Ų52.20%027%0.272CS..Hα-helixtrans-64.7-46.2176-70.2178.9000110.6F79 D80 A85 F100 M104 I115 T116 E117 S118 D122 C123 I124 F134F79-I120 HydrophobicContact CD1-CG2 4.44Å; F79-I120 HydrophobicContact CE1-CB 4.18Å; F79-I120 HydrophobicContact CE1-CG2 3.89Å; F79-I120 HydrophobicContact CZ-CG2 4.35Å; F79-I120 WeakPolarHBondContact O-CD1 3.34Å; D80-I120 HydrophobicContact CB-CD1 4.43Å; A85-I120 HydrophobicContact CB-CD1 4.27Å; F100-I120 HydrophobicContact CE2-CG2 4.19Å; F100-I120 HydrophobicContact CZ-CG2 4.35Å; M104-I120 HydrophobicContact CE-CG1 3.89Å; M104-I120 HydrophobicContact SD-CG1 3.93Å; I115-I120 HydrophobicContact CG2-CD1 3.74Å; I115-I120 HydrophobicContact CG2-CG1 3.97Å; T116-I120 PolarHBondContact O-N 3.08Å; T116-I120 VanDerWaalsContact O-N 3.08Å; E117-I120 PolarHBondContact O-N 3.4Å; S118-I120 VanDerWaalsContact C-N 3.31Å; S118-I120 PolarHBondContact O-N 3.16Å; I120-D122 VanDerWaalsContact C-N 3.29Å; I120-D122 PolarHBondContact O-N 2.9Å; I120-C123 PolarHBondContact O-N 3.25Å; I120-C123 VanDerWaalsContact O-N 3.15Å; I120-I124 HydrophobicContact CG2-CG1 3.91Å; I120-I124 WeakPolarHBondContact O-CB 3.44Å; I120-I124 WeakPolarHBondContact O-CG1 3.41Å; I120-I124 PolarHBondContact O-N 2.97Å; I120-F134 HydrophobicContact CG2-CE1 4.18Å; I120-F134 HydrophobicContact CG2-CZ 4.15Å
121C95.4Very high92.1Very high30 Ų3053.5 Ų53.520%0.20328%0.278CS..Hα-helixtrans-54.7-46.9176.8-70.50000111.6E117 S118 I124 Q125E117-C121 PolarHBondContact O-N 3.3Å; E117-C121 PolarHBondContact O-SG 3.37Å; S118-C121 WeakPolarHBondContact O-CB 3.45Å; S118-C121 PolarHBondContact O-N 2.65Å; C121-I124 PolarHBondContact O-N 3.19Å; C121-Q125 WeakPolarHBondContact O-CG 3.28Å; C121-Q125 PolarHBondContact O-N 3.19Å
122D92.9Very high92.5Very high91 Ų9155.6 Ų55.649%0.48729%0.289SS..Hα-helixtrans-61.8-45177.7-72.3-14.1000111.4S118 M119 I120 Q125 N126S118-D122 PolarHBondContact O-N 3.27Å; M119-D122 PolarHBondContact O-N 3.45Å; I120-D122 VanDerWaalsContact C-N 3.29Å; I120-D122 PolarHBondContact O-N 2.9Å; D122-Q125 PolarHBondContact O-N 3.37Å; D122-N126 WeakPolarHBondContact O-CB 3.24Å; D122-N126 VanDerWaalsContact O-CG 3.26Å; D122-N126 PolarHBondContact O-N 2.6Å; D122-N126 PolarHBondContact O-ND2 2.89Å
123C94.7Very high93Very high5 Ų549.5 Ų49.53%0.03427%0.273CS..Hα-helixtrans-67.4-37.7179-68.40000112.5F100 L103 M104 M119 I120 N126 A127F100-C123 HydrophobicContact CD2-CB 3.77Å; F100-C123 HydrophobicContact CE2-CB 3.86Å; L103-C123 HydrophobicContact CB-CB 4.08Å; M104-C123 HydrophobicContact CG-CB 4.12Å; M104-C123 HydrophobicContact SD-CB 3.69Å; M119-C123 WeakPolarHBondContact O-CB 3.37Å; M119-C123 PolarHBondContact O-N 2.8Å; M119-C123 PolarHBondContact O-SG 3.15Å; I120-C123 PolarHBondContact O-N 3.25Å; I120-C123 VanDerWaalsContact O-N 3.15Å; C123-N126 PolarHBondContact O-N 3.33Å; C123-A127 WeakPolarHBondContact O-CB 3.32Å; C123-A127 PolarHBondContact O-N 3Å
124I94.8Very high93.6Very high0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-62.7-47.1175.9-72.4-63.5000110.7F100 I120 C121 A127 G128 I129 L131 F134F100-I124 HydrophobicContact CD2-CD1 3.56Å; F100-I124 HydrophobicContact CD2-CG1 4.04Å; F100-I124 HydrophobicContact CE2-CD1 3.65Å; F100-I124 HydrophobicContact CE2-CG1 3.88Å; F100-I124 HydrophobicContact CG-CD1 4.14Å; F100-I124 HydrophobicContact CZ-CD1 4.3Å; I120-I124 HydrophobicContact CG2-CG1 3.91Å; I120-I124 WeakPolarHBondContact O-CB 3.44Å; I120-I124 WeakPolarHBondContact O-CG1 3.41Å; I120-I124 PolarHBondContact O-N 2.97Å; C121-I124 PolarHBondContact O-N 3.19Å; I124-A127 PolarHBondContact O-N 3.31Å; I124-G128 PolarHBondContact O-N 2.89Å; I124-G128 VanDerWaalsContact O-N 3.15Å; I124-I129 HydrophobicContact CD1-CB 4.28Å; I124-I129 HydrophobicContact CD1-CD1 3.78Å; I124-I129 HydrophobicContact CD1-CG2 4.1Å; I124-I129 HydrophobicContact CG2-CB 3.88Å; I124-I129 HydrophobicContact CG2-CG2 3.94Å; I124-I129 PolarHBondContact O-N 2.82Å; I124-L131 HydrophobicContact CG2-CB 4.23Å; I124-L131 HydrophobicContact CG2-CD1 3.92Å; I124-F134 HydrophobicContact CD1-CD1 4.42Å; I124-F134 HydrophobicContact CD1-CD2 3.59Å; I124-F134 HydrophobicContact CD1-CE1 4.27Å; I124-F134 HydrophobicContact CD1-CE2 3.38Å; I124-F134 HydrophobicContact CD1-CG 4.11Å; I124-F134 HydrophobicContact CD1-CZ 3.76Å; I124-F134 HydrophobicContact CG1-CD1 4.35Å; I124-F134 HydrophobicContact CG1-CD2 4.36Å; I124-F134 HydrophobicContact CG1-CE1 4.16Å; I124-F134 HydrophobicContact CG1-CE2 4.17Å; I124-F134 HydrophobicContact CG1-CG 4.44Å; I124-F134 HydrophobicContact CG1-CZ 4.08Å; I124-F134 HydrophobicContact CG2-CG 4.49Å
125Q92.5Very high93.8Very high118 Ų11844.1 Ų44.155%0.55124%0.242SC*.Hα-helixtrans-62.1-47.3176.6-71178.51.600111.7C121 D122 A127 G128C121-Q125 WeakPolarHBondContact O-CG 3.28Å; C121-Q125 PolarHBondContact O-N 3.19Å; D122-Q125 PolarHBondContact O-N 3.37Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 3.46Å; Q125-G128 WeakPolarHBondContact O-CA 3.35Å; Q125-G128 PolarHBondContact O-N 3.45Å
126N90.6Very high93.8Very high46 Ų4649.1 Ų49.125%0.24627%0.268CS..Hα-helixtrans-69.4-28.7179.4-69.2-44000112.8L103 D122 C123 G128L103-N126 HydrophobicContact CD1-CB 3.68Å; D122-N126 WeakPolarHBondContact O-CB 3.24Å; D122-N126 VanDerWaalsContact O-CG 3.26Å; D122-N126 PolarHBondContact O-N 2.6Å; D122-N126 PolarHBondContact O-ND2 2.89Å; C123-N126 PolarHBondContact O-N 3.33Å; N126-G128 PolarHBondContact O-N 3.42Å
127A92.2Very high93.8Very high0 Ų047.3 Ų47.30%026%0.257CS..Hα-helixtrans-68.9-20170.800000112.3F100 L103 C123 I124 Q125 I129 K264F100-A127 HydrophobicContact CB-CB 3.81Å; L103-A127 HydrophobicContact CD1-CB 4.22Å; C123-A127 WeakPolarHBondContact O-CB 3.32Å; C123-A127 PolarHBondContact O-N 3Å; I124-A127 PolarHBondContact O-N 3.31Å; Q125-A127 VanDerWaalsContact C-N 3.32Å; Q125-A127 PolarHBondContact O-N 3.46Å; A127-I129 HydrophobicContact CB-CD1 3.75Å; A127-I129 HydrophobicContact CB-CG1 3.96Å; A127-K264 PolarHBondContact O-NZ 2.64Å
128G89.8Confident93.8Very high33 Ų3343.2 Ų43.234%0.3424%0.238SC..THydrogen-bonded Turntrans73.337-174.500000112.3R96 I124 Q125 N126R96-G128 WeakPolarHBondContact CD-O 3.46Å; I124-G128 PolarHBondContact O-N 2.89Å; I124-G128 VanDerWaalsContact O-N 3.15Å; Q125-G128 WeakPolarHBondContact O-CA 3.35Å; Q125-G128 PolarHBondContact O-N 3.45Å; N126-G128 PolarHBondContact O-N 3.42Å
129I94.6Very high93.5Very high8 Ų846.7 Ų46.74%0.04125%0.246CC..  trans-95.5138.6173.3-64.5168.1000107.4A89 Q92 R96 F100 I124 A127 L131 F134A89-I129 HydrophobicContact CB-CD1 3.51Å; Q92-I129 HydrophobicContact CB-CG2 4.34Å; Q92-I129 VanDerWaalsContact CD-CG2 3.48Å; Q92-I129 HydrophobicContact CG-CG2 4.33Å; R96-I129 HydrophobicContact CB-CD1 4.29Å; R96-I129 HydrophobicContact CB-CG1 3.78Å; F100-I129 HydrophobicContact CB-CD1 3.85Å; F100-I129 HydrophobicContact CG-CD1 4.4Å; I124-I129 HydrophobicContact CD1-CB 4.28Å; I124-I129 HydrophobicContact CD1-CD1 3.78Å; I124-I129 HydrophobicContact CD1-CG2 4.1Å; I124-I129 HydrophobicContact CG2-CB 3.88Å; I124-I129 HydrophobicContact CG2-CG2 3.94Å; I124-I129 PolarHBondContact O-N 2.82Å; A127-I129 HydrophobicContact CB-CD1 3.75Å; A127-I129 HydrophobicContact CB-CG1 3.96Å; I129-L131 PolarHBondContact O-N 3.42Å; I129-F134 HydrophobicContact CG2-CB 4.13Å; I129-F134 HydrophobicContact CG2-CD2 4.21Å
130D95.2Very high93.1Very high85 Ų8550.8 Ų50.846%0.45526%0.263SS..  trans-72.1114.4177.1-173.1-50000109.3Q92 E132 V133 F134Q92-D130 PolarHBondContact NE2-O 3.31Å; D130-E132 VanDerWaalsContact C-N 3.33Å; D130-E132 PolarHBondContact O-N 3.36Å; D130-E132 PolarHBondContact OD1-N 3.3Å; D130-V133 HydrophobicContact CB-CB 4.03Å; D130-V133 HydrophobicContact CB-CG2 4.04Å; D130-V133 PolarHBondContact OD1-N 3.22Å; D130-V133 VanDerWaalsContact OD1-N 3.1Å; D130-F134 WeakPolarHBondContact O-CB 3.45Å; D130-F134 PolarHBondContact O-N 3.14Å
131L94.9Very high92.3Very high29 Ų2955.7 Ų55.715%0.15230%0.297CS..Hα-helixtrans-64.5-34.6-173.9-179.762.9000112.8F79 I124 I129 F134 K135F79-L131 HydrophobicContact CZ-CD1 4.26Å; I124-L131 HydrophobicContact CG2-CB 4.23Å; I124-L131 HydrophobicContact CG2-CD1 3.92Å; I129-L131 PolarHBondContact O-N 3.42Å; L131-F134 HydrophobicContact CD1-CD1 4.41Å; L131-K135 WeakPolarHBondContact O-CG 3.31Å; L131-K135 PolarHBondContact O-N 2.88Å
132E94.6Very high91.9Very high110 Ų11060.3 Ų60.351%0.51431%0.314SS..Hα-helixtrans-76-45.4-178.4-63.1-54.5117.100110D130 F134 K135 D136D130-E132 VanDerWaalsContact C-N 3.33Å; D130-E132 PolarHBondContact O-N 3.36Å; D130-E132 PolarHBondContact OD1-N 3.3Å; E132-F134 PolarHBondContact O-N 3Å; E132-K135 PolarHBondContact O-N 2.92Å; E132-K135 IonicContact OE1-NZ 2.78Å; E132-K135 PolarHBondContact OE1-NZ 3.28Å; E132-K135 IonicContact OE2-NZ 3.9Å; E132-D136 PolarHBondContact O-N 3.32Å; E132-D136 VanDerWaalsContact O-N 3.1Å
133V95.2Very high91.7Very high61 Ų6156.2 Ų56.237%0.3729%0.292SS..Hα-helixtrans-60.6-36.4172.7178.80000111.1Q92 D130 D136 D137Q92-V133 HydrophobicContact CG-CG1 4.34Å; D130-V133 HydrophobicContact CB-CB 4.03Å; D130-V133 HydrophobicContact CB-CG2 4.04Å; D130-V133 PolarHBondContact OD1-N 3.22Å; D130-V133 VanDerWaalsContact OD1-N 3.1Å; V133-D136 PolarHBondContact O-N 3.07Å; V133-D137 WeakPolarHBondContact O-CB 3.33Å; V133-D137 VanDerWaalsContact O-CG 3.29Å; V133-D137 PolarHBondContact O-N 2.84Å
134F95.3Very high91.4Very high0 Ų059.7 Ų59.70%031%0.313CS..Hα-helixtrans-63.7-45177.2172.7-93.2000112.4F79 A85 A88 Q92 I120 I124 I129 D130 L131 E132 D136 D137 L138F79-F134 HydrophobicContact CD2-CE1 4.31Å; F79-F134 HydrophobicContact CE2-CD1 4.06Å; F79-F134 AromaticContact CE2-CE1 3.76Å; F79-F134 HydrophobicContact CE2-CE1 3.76Å; F79-F134 HydrophobicContact CZ-CD1 4.44Å; F79-F134 HydrophobicContact CZ-CE1 4.02Å; A85-F134 HydrophobicContact CB-CE2 4.39Å; A85-F134 HydrophobicContact CB-CZ 3.85Å; A85-F134 WeakPolarHBondContact O-CE2 3.44Å; A88-F134 HydrophobicContact CB-CD2 3.71Å; A88-F134 HydrophobicContact CB-CE2 3.55Å; A88-F134 HydrophobicContact CB-CZ 4.34Å; Q92-F134 VanDerWaalsContact NE2-N 3.17Å; I120-F134 HydrophobicContact CG2-CE1 4.18Å; I120-F134 HydrophobicContact CG2-CZ 4.15Å; I124-F134 HydrophobicContact CD1-CD1 4.42Å; I124-F134 HydrophobicContact CD1-CD2 3.59Å; I124-F134 HydrophobicContact CD1-CE1 4.27Å; I124-F134 HydrophobicContact CD1-CE2 3.38Å; I124-F134 HydrophobicContact CD1-CG 4.11Å; I124-F134 HydrophobicContact CD1-CZ 3.76Å; I124-F134 HydrophobicContact CG1-CD1 4.35Å; I124-F134 HydrophobicContact CG1-CD2 4.36Å; I124-F134 HydrophobicContact CG1-CE1 4.16Å; I124-F134 HydrophobicContact CG1-CE2 4.17Å; I124-F134 HydrophobicContact CG1-CG 4.44Å; I124-F134 HydrophobicContact CG1-CZ 4.08Å; I124-F134 HydrophobicContact CG2-CG 4.49Å; I129-F134 HydrophobicContact CG2-CB 4.13Å; I129-F134 HydrophobicContact CG2-CD2 4.21Å; D130-F134 WeakPolarHBondContact O-CB 3.45Å; D130-F134 PolarHBondContact O-N 3.14Å; L131-F134 HydrophobicContact CD1-CD1 4.41Å; E132-F134 PolarHBondContact O-N 3Å; F134-D136 VanDerWaalsContact C-N 3.31Å; F134-D136 PolarHBondContact O-N 3.31Å; F134-D137 PolarHBondContact O-N 2.81Å; F134-L138 HydrophobicContact CD1-CD1 3.92Å; F134-L138 HydrophobicContact CE1-CD1 3.3Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CZ-CD1 3.7Å; F134-L138 HydrophobicContact CZ-CD2 4.45Å; F134-L138 HydrophobicContact CZ-CG 4.12Å; F134-L138 PolarHBondContact O-N 3.11Å
135K94.3Very high91.2Very high76 Ų7664.2 Ų64.233%0.3333%0.334SS..Hα-helixtrans-59.9-42.4174.9-75.1166.5-175.9167.60111.5F79 L131 E132 L138F79-K135 HydrophobicContact CD2-CG 4.41Å; F79-K135 HydrophobicContact CE2-CG 3.71Å; L131-K135 WeakPolarHBondContact O-CG 3.31Å; L131-K135 PolarHBondContact O-N 2.88Å; E132-K135 PolarHBondContact O-N 2.92Å; E132-K135 IonicContact OE1-NZ 2.78Å; E132-K135 PolarHBondContact OE1-NZ 3.28Å; E132-K135 IonicContact OE2-NZ 3.9Å; K135-L138 PolarHBondContact O-N 3.5Å
136D93.5Very high91.2Very high109 Ų10960 Ų6058%0.58332%0.318SS*.Hα-helixtrans-65.3-41.6176.6-72.7-11.7000111.6E132 V133 F134 L138 Q139E132-D136 PolarHBondContact O-N 3.32Å; E132-D136 VanDerWaalsContact O-N 3.1Å; V133-D136 PolarHBondContact O-N 3.07Å; F134-D136 VanDerWaalsContact C-N 3.31Å; F134-D136 PolarHBondContact O-N 3.31Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.17Å; D136-Q139 PolarHBondContact O-N 2.69Å
137D93.2Very high91.3Very high10 Ų1059 Ų595%0.05331%0.313CS..Hα-helixtrans-63-36.1177.1-79.7-28.2000112.5A88 L91 V133 F134 Q139 K140 L143A88-D137 HydrophobicContact CB-CB 4.13Å; L91-D137 HydrophobicContact CD1-CB 4Å; V133-D137 WeakPolarHBondContact O-CB 3.33Å; V133-D137 VanDerWaalsContact O-CG 3.29Å; V133-D137 PolarHBondContact O-N 2.84Å; F134-D137 PolarHBondContact O-N 2.81Å; D137-Q139 PolarHBondContact O-N 2.92Å; D137-K140 WeakPolarHBondContact O-CB 3.32Å; D137-K140 PolarHBondContact O-N 3.13Å; D137-K140 WeakPolarHBondContact OD1-CE 3.3Å; D137-K140 IonicContact OD1-NZ 3.9Å; D137-K140 PolarHBondContact OD1-NZ 3.49Å; D137-L143 WeakPolarHBondContact O-CD1 3.49Å
138L91.8Very high91.4Very high7 Ų764.2 Ų64.24%0.03734%0.335CS..Hα-helixtrans-60.8-24.6176.3-83.1174.4000114.3F79 L84 A88 F134 K135 D136 L143F79-L138 HydrophobicContact CB-CD1 4.32Å; F79-L138 HydrophobicContact CD2-CD1 3.46Å; F79-L138 VanDerWaalsContact CD2-CD1 3.46Å; F79-L138 HydrophobicContact CE2-CD1 4Å; F79-L138 HydrophobicContact CG-CD1 4.1Å; L84-L138 HydrophobicContact CB-CD2 4.03Å; A88-L138 HydrophobicContact CB-CD2 3.86Å; A88-L138 HydrophobicContact CB-CG 3.91Å; F134-L138 HydrophobicContact CD1-CD1 3.92Å; F134-L138 HydrophobicContact CE1-CD1 3.3Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CZ-CD1 3.7Å; F134-L138 HydrophobicContact CZ-CD2 4.45Å; F134-L138 HydrophobicContact CZ-CG 4.12Å; F134-L138 PolarHBondContact O-N 3.11Å; K135-L138 PolarHBondContact O-N 3.5Å; D136-L138 VanDerWaalsContact C-N 3.32Å; D136-L138 PolarHBondContact O-N 3.17Å; L138-L143 HydrophobicContact CD2-CD1 4.02Å
139Q87.7Confident91.6Very high149 Ų14967.2 Ų67.270%0.69634%0.342SS*.THydrogen-bonded Turntrans-88.2-4.2177.9-56.9-57.3-32.700113D136 D137D136-Q139 PolarHBondContact O-N 2.69Å; D137-Q139 PolarHBondContact O-N 2.92Å
140K86.1Confident91.7Very high99 Ų9967 Ų6743%0.4334%0.341SS..  trans-83.5133.3-176.4-63.4177.7-172.4168.50111.2D137 K142 L143D137-K140 WeakPolarHBondContact O-CB 3.32Å; D137-K140 PolarHBondContact O-N 3.13Å; D137-K140 WeakPolarHBondContact OD1-CE 3.3Å; D137-K140 IonicContact OD1-NZ 3.9Å; D137-K140 PolarHBondContact OD1-NZ 3.49Å; K140-K142 HydrophobicContact CB-CB 4.37Å; K140-K142 PolarHBondContact O-N 3.1Å; K140-L143 PolarHBondContact O-N 2.87Å
141S79.1Confident91.7Very high103 Ų10365.4 Ų65.472%0.7233%0.332SS*.THydrogen-bonded Turntrans-57.8-20.8171.557.40000113.9L143 T144S141-L143 PolarHBondContact O-N 3.45Å; S141-L143 VanDerWaalsContact O-N 3.15Å; S141-T144 PolarHBondContact O-N 2.6Å
142K87.7Confident91.8Very high128 Ų12869.3 Ų69.356%0.55735%0.35SS*.Hα-helixtrans-57.2-25.8177-171.5176.7179.1-176.40113.4L91 K140 E145 S146L91-K142 HydrophobicContact CD2-CD 4.18Å; K140-K142 HydrophobicContact CB-CB 4.37Å; K140-K142 PolarHBondContact O-N 3.1Å; K142-E145 PolarHBondContact O-N 3.06Å; K142-S146 PolarHBondContact O-N 3.33Å
143L89.2Confident91.8Very high4 Ų465.3 Ų65.32%0.02133%0.331CS..Hα-helixtrans-66.5-41.6179.7-61-172.4000112.4L84 K87 A88 L91 D137 L138 K140 S141 E145 S146 L147L84-L143 HydrophobicContact CD2-CB 4.29Å; K87-L143 HydrophobicContact CB-CB 4.46Å; K87-L143 HydrophobicContact CB-CD2 3.8Å; A88-L143 HydrophobicContact CB-CD1 4.23Å; A88-L143 HydrophobicContact CB-CD2 4.3Å; L91-L143 HydrophobicContact CD1-CD2 3.75Å; L91-L143 HydrophobicContact CG-CD2 4.47Å; D137-L143 WeakPolarHBondContact O-CD1 3.49Å; L138-L143 HydrophobicContact CD2-CD1 4.02Å; K140-L143 PolarHBondContact O-N 2.87Å; S141-L143 PolarHBondContact O-N 3.45Å; S141-L143 VanDerWaalsContact O-N 3.15Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.27Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-L147 PolarHBondContact O-N 3.34Å
144T86.9Confident91.9Very high78 Ų7862.6 Ų62.648%0.47932%0.316SS..Hα-helixtrans-64.2-40176.3-48.80000111.1S141 S146 L147 K148S141-T144 PolarHBondContact O-N 2.6Å; T144-S146 VanDerWaalsContact C-N 3.33Å; T144-L147 PolarHBondContact O-N 3.22Å; T144-K148 WeakPolarHBondContact O-CG 3.45Å; T144-K148 PolarHBondContact O-N 2.84Å
145E91.7Very high91.9Very high96 Ų9670.9 Ų70.945%0.44935%0.347SS..Hα-helixtrans-64.1-39173.4-63.7-52.7130.700111.8K142 L143 L147 K148 I149K142-E145 PolarHBondContact O-N 3.06Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.27Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.29Å; E145-K148 PolarHBondContact O-N 3.48Å; E145-K148 IonicContact OE1-NZ 2.9Å; E145-K148 PolarHBondContact OE1-NZ 3.2Å; E145-K148 IonicContact OE2-NZ 3.26Å; E145-I149 WeakPolarHBondContact O-CG1 3.35Å; E145-I149 PolarHBondContact O-N 2.77Å
146S92.4Very high91.9Very high28 Ų2873.7 Ų73.720%0.19636%0.361CS..Hα-helixtrans-62.9-36.5174.6-165.90000112.9K142 L143 T144 D150K142-S146 PolarHBondContact O-N 3.33Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.94Å; T144-S146 VanDerWaalsContact C-N 3.33Å; S146-D150 PolarHBondContact O-N 2.85Å
147L92Very high92Very high27 Ų2770.2 Ų70.214%0.14134%0.342CS..Hα-helixtrans-70.5-35.6173.9-74.6171.2000112.3L61 L84 K87 L143 T144 E145 I149 D150 L151L61-L147 HydrophobicContact CD2-CD2 4.14Å; L84-L147 HydrophobicContact CD2-CD1 3.9Å; K87-L147 HydrophobicContact CD-CD2 4.34Å; K87-L147 HydrophobicContact CG-CD2 3.81Å; K87-L147 HydrophobicContact CG-CG 3.88Å; L143-L147 PolarHBondContact O-N 3.34Å; T144-L147 PolarHBondContact O-N 3.22Å; E145-L147 VanDerWaalsContact C-N 3.32Å; E145-L147 PolarHBondContact O-N 3.29Å; L147-I149 VanDerWaalsContact C-N 3.31Å; L147-I149 PolarHBondContact O-N 3.23Å; L147-D150 WeakPolarHBondContact O-CB 3.13Å; L147-D150 PolarHBondContact O-N 2.83Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 PolarHBondContact O-N 2.9Å
148K93.7Very high92.1Very high109 Ų10976.3 Ų76.347%0.47437%0.37SS..Hα-helixtrans-64.3-37.3174.2-71.5173.5-175.3170.10111.9T144 E145 L151 H152T144-K148 WeakPolarHBondContact O-CG 3.45Å; T144-K148 PolarHBondContact O-N 2.84Å; E145-K148 PolarHBondContact O-N 3.48Å; E145-K148 IonicContact OE1-NZ 2.9Å; E145-K148 PolarHBondContact OE1-NZ 3.2Å; E145-K148 IonicContact OE2-NZ 3.26Å; K148-L151 PolarHBondContact O-N 2.8Å; K148-H152 PolarHBondContact O-N 3.43Å
149I95.1Very high92.4Very high95 Ų9576.9 Ų76.949%0.48737%0.373SS..Hα-helixtrans-61.5-47.9174.1-68.1165.6000110.1E145 L147 L151 H152 I153E145-I149 WeakPolarHBondContact O-CG1 3.35Å; E145-I149 PolarHBondContact O-N 2.77Å; L147-I149 VanDerWaalsContact C-N 3.31Å; L147-I149 PolarHBondContact O-N 3.23Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 3.2Å; I149-H152 PolarHBondContact O-N 3.01Å; I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.46Å; I149-I153 VanDerWaalsContact O-CG1 3.3Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 3.35Å
150D95.7Very high92.6Very high3 Ų377.6 Ų77.62%0.01638%0.376CS..Hα-helixtrans-58.4-41.6174.9-79.525.8000112.1I60 P63 K87 S146 L147 I153 A154I60-D150 HydrophobicContact CG2-CB 3.98Å; I60-D150 WeakPolarHBondContact CG2-OD2 3.4Å; P63-D150 HydrophobicContact CG-CB 4.28Å; K87-D150 WeakPolarHBondContact CE-OD2 3.25Å; K87-D150 IonicContact NZ-OD1 3.74Å; K87-D150 PolarHBondContact NZ-OD1 2.79Å; K87-D150 IonicContact NZ-OD2 3.39Å; K87-D150 PolarHBondContact NZ-OD2 3.46Å; S146-D150 PolarHBondContact O-N 2.85Å; L147-D150 WeakPolarHBondContact O-CB 3.13Å; L147-D150 PolarHBondContact O-N 2.83Å; D150-I153 PolarHBondContact O-N 3.12Å; D150-A154 WeakPolarHBondContact O-CB 3.36Å; D150-A154 PolarHBondContact O-N 3.31Å
151L95.5Very high93.1Very high52 Ų5277.4 Ų77.427%0.27238%0.377SS..Hα-helixtrans-64.1-40.7178179.463.6000112.2P63 L147 K148 I149 R155P63-L151 HydrophobicContact CB-CB 4.25Å; P63-L151 HydrophobicContact CB-CD1 4.36Å; P63-L151 VanDerWaalsContact CG-CA 3.41Å; P63-L151 HydrophobicContact CG-CB 3.95Å; P63-L151 HydrophobicContact CG-CD1 3.99Å; L147-L151 WeakPolarHBondContact O-CB 3.49Å; L147-L151 PolarHBondContact O-N 2.9Å; K148-L151 PolarHBondContact O-N 2.8Å; I149-L151 VanDerWaalsContact C-N 3.29Å; I149-L151 PolarHBondContact O-N 3.2Å; L151-R155 HydrophobicContact CD1-CG 4.44Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 VanDerWaalsContact O-CG 3.27Å; L151-R155 WeakPolarHBondContact O-CG 3.15Å; L151-R155 PolarHBondContact O-N 2.93Å
152H96.6Very high93.8Very high112 Ų11273.7 Ų73.752%0.51935%0.352SS..Hα-helixtrans-62.9-49.6174179.451.5000110.6K148 I149 A154 R155 E156K148-H152 PolarHBondContact O-N 3.43Å; I149-H152 PolarHBondContact O-N 3.01Å; H152-A154 VanDerWaalsContact C-N 3.34Å; H152-A154 PolarHBondContact O-N 3.4Å; H152-R155 PolarHBondContact O-N 2.86Å; H152-R155 VanDerWaalsContact O-N 3.11Å; H152-E156 VanDerWaalsContact CE1-CG 3.47Å; H152-E156 WeakPolarHBondContact CE1-CG 3.46Å; H152-E156 IonicContact CE1-OE1 2.66Å; H152-E156 PolarHBondContact CE1-OE1 3.46Å; H152-E156 IonicContact ND1-OE1 3.61Å; H152-E156 WeakPolarHBondContact O-CG 3.39Å; H152-E156 PolarHBondContact O-N 2.97Å
153I95.8Very high94.3Very high25 Ų2567.7 Ų67.713%0.12833%0.327CS..Hα-helixtrans-57.8-45.9178.3-65.6166000111.3F29 I60 I149 D150 R155 E156 M157F29-I153 HydrophobicContact CE1-CG2 4.34Å; F29-I153 HydrophobicContact CZ-CG2 3.95Å; I60-I153 HydrophobicContact CD1-CD1 4.17Å; I60-I153 HydrophobicContact CD1-CG2 3.79Å; I149-I153 HydrophobicContact CG2-CD1 3.8Å; I149-I153 HydrophobicContact CG2-CG1 4.46Å; I149-I153 VanDerWaalsContact O-CG1 3.3Å; I149-I153 WeakPolarHBondContact O-CG1 3.46Å; I149-I153 PolarHBondContact O-N 3.35Å; D150-I153 PolarHBondContact O-N 3.12Å; I153-R155 VanDerWaalsContact C-N 3.31Å; I153-R155 PolarHBondContact O-N 3.49Å; I153-E156 PolarHBondContact O-N 3.14Å; I153-M157 HydrophobicContact CG2-CE 3.89Å; I153-M157 HydrophobicContact CG2-SD 3.95Å; I153-M157 WeakPolarHBondContact O-CB 3.32Å; I153-M157 WeakPolarHBondContact O-CG 3.49Å; I153-M157 PolarHBondContact O-N 3.16Å
154A96.7Very high94.7Very high5 Ų567.5 Ų67.54%0.04133%0.326CS..Hα-helixtrans-62.9-36.2178.500000112.5F29 P63 D150 H152 E158 I159F29-A154 HydrophobicContact CD1-CB 4.33Å; F29-A154 HydrophobicContact CE1-CB 3.82Å; P63-A154 HydrophobicContact CG-CB 3.95Å; D150-A154 WeakPolarHBondContact O-CB 3.36Å; D150-A154 PolarHBondContact O-N 3.31Å; H152-A154 VanDerWaalsContact C-N 3.34Å; H152-A154 PolarHBondContact O-N 3.4Å; A154-E158 PolarHBondContact O-N 2.73Å; A154-I159 HydrophobicContact CB-CB 4.24Å; A154-I159 HydrophobicContact CB-CG1 4.48Å; A154-I159 PolarHBondContact O-N 3.05Å
155R95.6Very high95.3Very high173 Ų17363.9 Ų63.965%0.65330%0.303SS*.Hα-helixtrans-71.5-45.7176.4-76.4174.1177.9177.3-0.6112.4L151 H152 I153 M157 E158L151-R155 HydrophobicContact CD1-CG 4.44Å; L151-R155 WeakPolarHBondContact O-CB 3.46Å; L151-R155 VanDerWaalsContact O-CG 3.27Å; L151-R155 WeakPolarHBondContact O-CG 3.15Å; L151-R155 PolarHBondContact O-N 2.93Å; H152-R155 PolarHBondContact O-N 2.86Å; H152-R155 VanDerWaalsContact O-N 3.11Å; I153-R155 VanDerWaalsContact C-N 3.31Å; I153-R155 PolarHBondContact O-N 3.49Å; R155-M157 PolarHBondContact O-N 3.23Å; R155-E158 PolarHBondContact O-N 3.4Å
156E95Very high95.5Very high135 Ų13559.6 Ų59.663%0.63128%0.284SS*.Hα-helixtrans-60.9-34.1177.5-66.7-58.713000111.7H152 I153 E158H152-E156 VanDerWaalsContact CE1-CG 3.47Å; H152-E156 WeakPolarHBondContact CE1-CG 3.46Å; H152-E156 IonicContact CE1-OE1 2.66Å; H152-E156 PolarHBondContact CE1-OE1 3.46Å; H152-E156 IonicContact ND1-OE1 3.61Å; H152-E156 WeakPolarHBondContact O-CG 3.39Å; H152-E156 PolarHBondContact O-N 2.97Å; I153-E156 PolarHBondContact O-N 3.14Å; E156-E158 VanDerWaalsContact C-N 3.32Å
157M95Very high95.7Very high37 Ų3758.2 Ų58.218%0.18227%0.274CS..THydrogen-bonded Turntrans-90.77.8176.5-62.8-179.5-177.300113.5Y27 F29 I153 R155 I159 V166 F168Y27-M157 HydrophobicContact CD1-CE 4.09Å; Y27-M157 HydrophobicContact CD2-CE 3.97Å; Y27-M157 HydrophobicContact CE1-CE 4.16Å; Y27-M157 HydrophobicContact CE2-CE 4.06Å; Y27-M157 HydrophobicContact CG-CE 3.99Å; Y27-M157 HydrophobicContact CG-SD 4.2Å; F29-M157 HydrophobicContact CE2-SD 3.83Å; F29-M157 HydrophobicContact CZ-SD 3.71Å; I153-M157 HydrophobicContact CG2-CE 3.89Å; I153-M157 HydrophobicContact CG2-SD 3.95Å; I153-M157 WeakPolarHBondContact O-CB 3.32Å; I153-M157 WeakPolarHBondContact O-CG 3.49Å; I153-M157 PolarHBondContact O-N 3.16Å; R155-M157 PolarHBondContact O-N 3.23Å; M157-I159 VanDerWaalsContact C-N 3.32Å; M157-I159 HydrophobicContact CB-CD1 4.08Å; M157-I159 HydrophobicContact CB-CG1 3.96Å; M157-I159 PolarHBondContact O-N 3.02Å; M157-V166 HydrophobicContact CB-CG2 4.29Å; M157-V166 HydrophobicContact SD-CB 4.16Å; M157-V166 HydrophobicContact SD-CG1 4.34Å; M157-V166 HydrophobicContact SD-CG2 4.07Å; M157-F168 HydrophobicContact CE-CE2 3.5Å; M157-F168 VanDerWaalsContact CE-CE2 3.5Å; M157-F168 HydrophobicContact CE-CZ 3.79Å; M157-F168 HydrophobicContact SD-CE2 4.09Å; M157-F168 HydrophobicContact SD-CZ 4.39Å
158E95.7Very high95.8Very high138 Ų13859.9 Ų59.965%0.64528%0.281SS*.THydrogen-bonded Turntrans50.347.8178.4-58.2-179.8170.500113.3A154 R155 E156 E160 K178A154-E158 PolarHBondContact O-N 2.73Å; R155-E158 PolarHBondContact O-N 3.4Å; E156-E158 VanDerWaalsContact C-N 3.32Å; E158-E160 PolarHBondContact O-N 3.44Å; E158-K178 PolarHBondContact O-NZ 2.92Å
159I96.8Very high95.5Very high19 Ų1955.8 Ų55.810%0.09727%0.266CS..  trans-83.1108.1-179-55.8-58.6000110.2F29 A154 M157 Q161 V166 K178F29-I159 HydrophobicContact CB-CG2 4.06Å; F29-I159 HydrophobicContact CD1-CG1 4.1Å; F29-I159 HydrophobicContact CD1-CG2 4.2Å; F29-I159 HydrophobicContact CD2-CD1 3.74Å; F29-I159 HydrophobicContact CD2-CG1 3.77Å; F29-I159 HydrophobicContact CD2-CG2 4.42Å; F29-I159 HydrophobicContact CE1-CG1 3.95Å; F29-I159 HydrophobicContact CE2-CD1 3.71Å; F29-I159 HydrophobicContact CE2-CG1 3.62Å; F29-I159 HydrophobicContact CG-CD1 4.35Å; F29-I159 HydrophobicContact CG-CG1 4Å; F29-I159 HydrophobicContact CG-CG2 3.98Å; F29-I159 HydrophobicContact CZ-CD1 4.29Å; F29-I159 HydrophobicContact CZ-CG1 3.69Å; A154-I159 HydrophobicContact CB-CB 4.24Å; A154-I159 HydrophobicContact CB-CG1 4.48Å; A154-I159 PolarHBondContact O-N 3.05Å; M157-I159 VanDerWaalsContact C-N 3.32Å; M157-I159 HydrophobicContact CB-CD1 4.08Å; M157-I159 HydrophobicContact CB-CG1 3.96Å; M157-I159 PolarHBondContact O-N 3.02Å; I159-Q161 VanDerWaalsContact CG2-O 3.31Å; I159-Q161 WeakPolarHBondContact CG2-O 3.11Å; I159-V166 HydrophobicContact CD1-CG2 3.74Å; I159-K178 HydrophobicContact CD1-CD 4Å
160E93.1Very high94.9Very high164 Ų16456.5 Ų56.577%0.76627%0.267SS*.  trans-96.1-23.9179.8-59.2-168.7162.200113.3E158E158-E160 PolarHBondContact O-N 3.44Å
161Q95.1Very high94.2Very high94 Ų9460 Ų6044%0.43929%0.285SS..SBendtrans-140.7170.8-175.464.7178.539.200113.2N62 I159 S164 E180N62-Q161 VanDerWaalsContact ND2-C 3.3Å; N62-Q161 PolarHBondContact ND2-O 3.43Å; I159-Q161 VanDerWaalsContact CG2-O 3.31Å; I159-Q161 WeakPolarHBondContact CG2-O 3.11Å; Q161-S164 PolarHBondContact O-OG 3.48Å; Q161-E180 HydrophobicContact CG-CB 4.31Å
162A95.6Very high93.2Very high25 Ų2564.1 Ų64.121%0.20731%0.312CS..SBendtrans-136.2139.1171.400000110.5D31 N62D31-A162 HydrophobicContact CB-CB 4.03Å; N62-A162 HydrophobicContact CB-CB 3.87Å; N62-A162 WeakPolarHBondContact ND2-CB 3.28Å
163P97.5Very high92.3Very high3 Ų367.2 Ų67.22%0.01933%0.327CS..SBendcis-74.4146.94.228.8-32.5000113.2F29 D36 L40 G181F29-P163 WeakPolarHBondContact O-CA 3.49Å; D36-P163 HydrophobicContact CB-CG 4.03Å; L40-P163 HydrophobicContact CD2-CB 3.37Å; L40-P163 HydrophobicContact CD2-CG 4.04Å; P163-G181 WeakPolarHBondContact O-CA 3.25Å; P163-G181 PolarHBondContact O-N 3.21Å
164S97.9Very high91.6Very high0 Ų070.9 Ų70.90%034%0.343CS..EExtended strand (participates in β ladder)trans-139.3139.2167-69.70000109.6F29 Q161 V179F29-S164 PolarHBondContact N-O 3.06Å; F29-S164 PolarHBondContact O-N 3.04Å; F29-S164 VanDerWaalsContact O-N 3.14Å; Q161-S164 PolarHBondContact O-OG 3.48Å; S164-V179 CarbonylContact C-O 3.53Å; S164-V179 WeakPolarHBondContact CA-O 2.99Å
165L98.2Very high91.1Very high1 Ų179.5 Ų79.51%0.00538%0.383CS..EExtended strand (participates in β ladder)trans-114.8136.1175.7-59.3-174.1000109.7I26 Y27 S28 L40 L44 F167 K178 V179 Y188I26-L165 HydrophobicContact CG2-CB 4.39Å; I26-L165 HydrophobicContact CG2-CD2 4.38Å; Y27-L165 CarbonylContact O-C 3.55Å; Y27-L165 VanDerWaalsContact O-CA 3.29Å; Y27-L165 WeakPolarHBondContact O-CA 3.44Å; S28-L165 VanDerWaalsContact CB-CD2 3.47Å; S28-L165 VanDerWaalsContact OG-CD2 3.28Å; S28-L165 WeakPolarHBondContact OG-CD2 3.41Å; L40-L165 HydrophobicContact CD2-CD2 4.06Å; L40-L165 HydrophobicContact CD2-CG 4.29Å; L44-L165 HydrophobicContact CD2-CD1 4.12Å; L44-L165 HydrophobicContact CD2-CD2 4.17Å; L165-F167 HydrophobicContact CB-CD2 4.32Å; L165-F167 HydrophobicContact CB-CE2 3.58Å; L165-F167 HydrophobicContact CB-CZ 4.09Å; L165-F167 HydrophobicContact CD1-CE2 4.16Å; L165-F167 HydrophobicContact CD1-CZ 3.86Å; L165-K178 CarbonylContact O-C 3.59Å; L165-K178 WeakPolarHBondContact O-CA 3.32Å; L165-V179 PolarHBondContact N-O 3.27Å; L165-V179 PolarHBondContact O-N 3.14Å; L165-Y188 HydrophobicContact CD1-CD1 3.69Å; L165-Y188 HydrophobicContact CD1-CE1 3.46Å; L165-Y188 VanDerWaalsContact CD1-CE1 3.46Å; L165-Y188 HydrophobicContact CG-CE1 4.45Å
166V97.2Very high90.8Very high6 Ų672.8 Ų72.84%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-121.8121.6171.3-167.80000108.8I26 Y27 F29 M157 I159 F168 L177 K178I26-V166 CarbonylContact C-O 3.58Å; I26-V166 WeakPolarHBondContact CA-O 3.25Å; Y27-V166 PolarHBondContact N-O 2.87Å; Y27-V166 PolarHBondContact O-N 3.1Å; F29-V166 HydrophobicContact CD2-CG2 4.46Å; F29-V166 HydrophobicContact CE2-CG2 3.96Å; M157-V166 HydrophobicContact CB-CG2 4.29Å; M157-V166 HydrophobicContact SD-CB 4.16Å; M157-V166 HydrophobicContact SD-CG1 4.34Å; M157-V166 HydrophobicContact SD-CG2 4.07Å; I159-V166 HydrophobicContact CD1-CG2 3.74Å; V166-F168 HydrophobicContact CB-CE2 4.02Å; V166-F168 HydrophobicContact CG1-CD2 4.11Å; V166-F168 HydrophobicContact CG1-CE2 3.33Å; V166-F168 HydrophobicContact CG1-CZ 3.6Å; V166-L177 CarbonylContact C-O 3.58Å; V166-L177 WeakPolarHBondContact CA-O 3.5Å; V166-K178 HydrophobicContact CG2-CB 4.47Å; V166-K178 HydrophobicContact CG2-CG 4.25Å
167F96.3Very high90.8Very high0 Ų070.1 Ų70.10%036%0.357CS..EExtended strand (participates in β ladder)trans-102.9127.2-177.1-59.9-106.8000109.4I24 I26 L165 G176 L177 V179 Y188 I191 I192 L195I24-F167 HydrophobicContact CG2-CB 4.3Å; I24-F167 HydrophobicContact CG2-CD1 4.2Å; I26-F167 HydrophobicContact CD1-CD1 3.76Å; I26-F167 HydrophobicContact CD1-CE1 3.54Å; I26-F167 HydrophobicContact CG1-CD1 3.64Å; I26-F167 HydrophobicContact CG1-CE1 3.89Å; I26-F167 HydrophobicContact CG1-CG 4.43Å; I26-F167 HydrophobicContact CG2-CD1 4.28Å; I26-F167 HydrophobicContact CG2-CE1 4.11Å; I26-F167 HydrophobicContact CG2-CZ 4.31Å; L165-F167 HydrophobicContact CB-CD2 4.32Å; L165-F167 HydrophobicContact CB-CE2 3.58Å; L165-F167 HydrophobicContact CB-CZ 4.09Å; L165-F167 HydrophobicContact CD1-CE2 4.16Å; L165-F167 HydrophobicContact CD1-CZ 3.86Å; F167-G176 CarbonylContact O-C 3.47Å; F167-G176 WeakPolarHBondContact O-CA 3.41Å; F167-L177 HydrophobicContact CB-CB 4.4Å; F167-L177 WeakPolarHBondContact CD2-O 3.11Å; F167-L177 PolarHBondContact N-O 2.89Å; F167-L177 PolarHBondContact O-N 3.47Å; F167-V179 HydrophobicContact CD2-CG2 4.26Å; F167-V179 HydrophobicContact CE2-CB 4.31Å; F167-V179 HydrophobicContact CE2-CG2 3.8Å; F167-Y188 HydrophobicContact CZ-CD1 4.02Å; F167-I191 HydrophobicContact CB-CG2 4.25Å; F167-I191 HydrophobicContact CD1-CG2 3.67Å; F167-I191 HydrophobicContact CD2-CG2 3.96Å; F167-I191 HydrophobicContact CE1-CG2 3.94Å; F167-I191 HydrophobicContact CE2-CD1 4.23Å; F167-I191 HydrophobicContact CE2-CG2 4.22Å; F167-I191 HydrophobicContact CG-CG2 3.71Å; F167-I191 HydrophobicContact CZ-CD1 4.47Å; F167-I191 HydrophobicContact CZ-CG2 4.22Å; F167-I192 HydrophobicContact CD1-CG1 4.45Å; F167-I192 HydrophobicContact CE1-CG1 4.1Å; F167-L195 HydrophobicContact CB-CD1 3.47Å; F167-L195 VanDerWaalsContact CB-CD1 3.47Å; F167-L195 HydrophobicContact CD1-CD1 4.41Å; F167-L195 HydrophobicContact CG-CD1 4.26Å
168F93.2Very high90.9Very high62 Ų6271.8 Ų71.827%0.27236%0.363SS..EExtended strand (participates in β ladder)trans-119.7133.5172.9-67.1-86000109.6I24 E25 Y27 M157 V166I24-F168 CarbonylContact C-O 3.58Å; I24-F168 VanDerWaalsContact CA-O 3.28Å; I24-F168 WeakPolarHBondContact CA-O 3.45Å; I24-F168 WeakPolarHBondContact CG2-O 3.49Å; E25-F168 PolarHBondContact N-O 3.04Å; E25-F168 PolarHBondContact O-N 3.37Å; Y27-F168 AromaticContact CD2-CD2 3.66Å; Y27-F168 HydrophobicContact CD2-CD2 3.66Å; Y27-F168 AromaticContact CD2-CE2 3.74Å; Y27-F168 HydrophobicContact CD2-CE2 3.74Å; Y27-F168 AromaticContact CE2-CD2 3.71Å; Y27-F168 HydrophobicContact CE2-CD2 3.71Å; Y27-F168 AromaticContact CE2-CE2 3.95Å; Y27-F168 HydrophobicContact CE2-CE2 3.95Å; M157-F168 HydrophobicContact CE-CE2 3.5Å; M157-F168 VanDerWaalsContact CE-CE2 3.5Å; M157-F168 HydrophobicContact CE-CZ 3.79Å; M157-F168 HydrophobicContact SD-CE2 4.09Å; M157-F168 HydrophobicContact SD-CZ 4.39Å; V166-F168 HydrophobicContact CB-CE2 4.02Å; V166-F168 HydrophobicContact CG1-CD2 4.11Å; V166-F168 HydrophobicContact CG1-CE2 3.33Å; V166-F168 HydrophobicContact CG1-CZ 3.6Å
169S88.6Confident91Very high23 Ų2366 Ų6616%0.16134%0.337CS..  trans-74.5173.6166.170.40000110.1D171 E174S169-D171 PolarHBondContact O-N 3.21Å; S169-D171 PolarHBondContact OG-N 3.32Å; S169-E174 VanDerWaalsContact CB-OE2 3.24Å; S169-E174 WeakPolarHBondContact CB-OE2 3.38Å; S169-E174 PolarHBondContact OG-OE2 3.41Å
170E81.3Confident90.9Very high110 Ų11068.1 Ų68.151%0.51435%0.347SS..SBendtrans-71.9-16.4172.6-67.8-167.7160.500112.6S22 K23 V172S22-E170 WeakPolarHBondContact CA-OE2 3.32Å; K23-E170 WeakPolarHBondContact CB-OE1 3.29Å; K23-E170 PolarHBondContact N-OE1 3.33Å; K23-E170 WeakPolarHBondContact O-CG 3.34Å; E170-V172 PolarHBondContact O-N 3.49Å
171D80.8Confident91.1Very high75 Ų7560.9 Ų60.940%0.40132%0.316SS..  trans-78.4110.8177.8-165.6-17000109.8S169 H173 E174S169-D171 PolarHBondContact O-N 3.21Å; S169-D171 PolarHBondContact OG-N 3.32Å; D171-H173 PolarHBondContact O-N 3.16Å; D171-H173 VanDerWaalsContact O-N 3.16Å; D171-H173 VanDerWaalsContact OD1-CB 3.31Å; D171-H173 WeakPolarHBondContact OD1-CB 3.38Å; D171-H173 IonicContact OD1-CD2 3.52Å; D171-H173 PolarHBondContact OD1-CD2 3.48Å; D171-H173 VanDerWaalsContact OD1-CD2 3.31Å; D171-H173 IonicContact OD1-CG 3.16Å; D171-H173 PolarHBondContact OD1-N 2.88Å; D171-E174 HydrophobicContact CB-CB 4.38Å; D171-E174 HydrophobicContact CB-CG 4.01Å; D171-E174 PolarHBondContact O-N 3.16Å
172V75.3Confident91.2Very high139 Ų13959.2 Ų59.284%0.84231%0.31SS*.THydrogen-bonded Turntrans-66.7-14.3179.5-175.20000111.8E170E170-V172 PolarHBondContact O-N 3.49Å
173H77.6Confident91.3Very high178 Ų17863.1 Ų63.182%0.82432%0.32SS*.THydrogen-bonded Turntrans-85-14.4175-58.7-58.7000113.4D171D171-H173 PolarHBondContact O-N 3.16Å; D171-H173 VanDerWaalsContact O-N 3.16Å; D171-H173 VanDerWaalsContact OD1-CB 3.31Å; D171-H173 WeakPolarHBondContact OD1-CB 3.38Å; D171-H173 IonicContact OD1-CD2 3.52Å; D171-H173 PolarHBondContact OD1-CD2 3.48Å; D171-H173 VanDerWaalsContact OD1-CD2 3.31Å; D171-H173 IonicContact OD1-CG 3.16Å; D171-H173 PolarHBondContact OD1-N 2.88Å
174E81.4Confident91.3Very high101 Ų10166.4 Ų66.447%0.47234%0.342SS..SBendtrans-86.1140.4175.7-70.8-173.5162.500111.3S169 D171S169-E174 VanDerWaalsContact CB-OE2 3.24Å; S169-E174 WeakPolarHBondContact CB-OE2 3.38Å; S169-E174 PolarHBondContact OG-OE2 3.41Å; D171-E174 HydrophobicContact CB-CB 4.38Å; D171-E174 HydrophobicContact CB-CG 4.01Å; D171-E174 PolarHBondContact O-N 3.16Å
175E86.2Confident91.2Very high186 Ų18668 Ų6887%0.86935%0.348SS*.PPolyproline II helixtrans-72.4144.7175.2-66.2-178.6174.100110.9
176G90Very high91.1Very high32 Ų3273.4 Ų73.433%0.3337%0.373SS..PPolyproline II helixtrans-72.2141.1174.400000111.8F167F167-G176 CarbonylContact O-C 3.47Å; F167-G176 WeakPolarHBondContact O-CA 3.41Å
177L94.6Very high91.1Very high80 Ų8075.9 Ų75.942%0.41939%0.385SS..EExtended strand (participates in β ladder)trans-92.8119.5174.7-175.871.6000110.7V166 F167 I191V166-L177 CarbonylContact C-O 3.58Å; V166-L177 WeakPolarHBondContact CA-O 3.5Å; F167-L177 HydrophobicContact CB-CB 4.4Å; F167-L177 WeakPolarHBondContact CD2-O 3.11Å; F167-L177 PolarHBondContact N-O 2.89Å; F167-L177 PolarHBondContact O-N 3.47Å; L177-I191 HydrophobicContact CD2-CB 4.22Å; L177-I191 HydrophobicContact CD2-CD1 3.86Å; L177-I191 HydrophobicContact CD2-CG1 3.7Å; L177-I191 HydrophobicContact CD2-CG2 3.56Å
178K96.1Very high91.1Very high72 Ų7275.9 Ų75.931%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-94.2131.5175.2-174.7172.269.3179.10111.3E158 I159 L165 V166 E180E158-K178 PolarHBondContact O-NZ 2.92Å; I159-K178 HydrophobicContact CD1-CD 4Å; L165-K178 CarbonylContact O-C 3.59Å; L165-K178 WeakPolarHBondContact O-CA 3.32Å; V166-K178 HydrophobicContact CG2-CB 4.47Å; V166-K178 HydrophobicContact CG2-CG 4.25Å; K178-E180 HydrophobicContact CD-CG 4.2Å; K178-E180 WeakPolarHBondContact CE-OE1 3.36Å; K178-E180 HydrophobicContact CG-CG 4.02Å; K178-E180 IonicContact NZ-OE1 3.33Å; K178-E180 PolarHBondContact NZ-OE1 3.39Å
179V97.3Very high91.3Very high15 Ų1573.8 Ų73.89%0.09138%0.378CS..EExtended strand (participates in β ladder)trans-124117.9174.1-179.10000108.9S164 L165 F167 Y183 Y188 I191S164-V179 CarbonylContact C-O 3.53Å; S164-V179 WeakPolarHBondContact CA-O 2.99Å; L165-V179 PolarHBondContact N-O 3.27Å; L165-V179 PolarHBondContact O-N 3.14Å; F167-V179 HydrophobicContact CD2-CG2 4.26Å; F167-V179 HydrophobicContact CE2-CB 4.31Å; F167-V179 HydrophobicContact CE2-CG2 3.8Å; V179-Y183 HydrophobicContact CG1-CD2 3.48Å; V179-Y183 VanDerWaalsContact CG1-CD2 3.48Å; V179-Y183 HydrophobicContact CG1-CE2 3.54Å; V179-Y188 HydrophobicContact CG1-CE1 4.17Å; V179-I191 HydrophobicContact CG2-CD1 3.4Å
180E96.5Very high91.6Very high65 Ų6579.4 Ų79.430%0.30440%0.396SS..EExtended strand (participates in β ladder)trans-104.9122.6-175.4-59.5-174.2145.900111.2Q161 K178 Y183Q161-E180 HydrophobicContact CG-CB 4.31Å; K178-E180 HydrophobicContact CD-CG 4.2Å; K178-E180 WeakPolarHBondContact CE-OE1 3.36Å; K178-E180 HydrophobicContact CG-CG 4.02Å; K178-E180 IonicContact NZ-OE1 3.33Å; K178-E180 PolarHBondContact NZ-OE1 3.39Å; E180-Y183 VanDerWaalsContact O-CE2 3.22Å; E180-Y183 WeakPolarHBondContact O-CE2 3.43Å
181G96.4Very high92.2Very high12 Ų1274.7 Ų74.712%0.12438%0.375CS..SBendtrans95.9-173.5-179.800000114.6P163 Y188P163-G181 WeakPolarHBondContact O-CA 3.25Å; P163-G181 PolarHBondContact O-N 3.21Å; G181-Y188 PolarHBondContact O-OH 2.96Å
182L97.3Very high92.9Very high58 Ų5871.1 Ų71.130%0.30436%0.356SS..  trans-96.9122-177.4176.364.6000110.4D36 K39 L40 I43D36-L182 HydrophobicContact CB-CB 4.22Å; D36-L182 HydrophobicContact CB-CD2 4.36Å; K39-L182 HydrophobicContact CB-CD2 3.75Å; K39-L182 HydrophobicContact CD-CD2 3.91Å; L40-L182 HydrophobicContact CB-CD1 4Å; L40-L182 HydrophobicContact CD1-CD1 4.05Å; I43-L182 HydrophobicContact CD1-CD1 3.83Å
183Y97.8Very high93.7Very high107 Ų10767.1 Ų67.142%0.4233%0.329SS..  trans-120.1162.6176.8-69.6-83.8000111.4V179 E180 I187 Y188V179-Y183 HydrophobicContact CG1-CD2 3.48Å; V179-Y183 VanDerWaalsContact CG1-CD2 3.48Å; V179-Y183 HydrophobicContact CG1-CE2 3.54Å; E180-Y183 VanDerWaalsContact O-CE2 3.22Å; E180-Y183 WeakPolarHBondContact O-CE2 3.43Å; Y183-I187 HydrophobicContact CG-CG2 4.4Å; Y183-Y188 PolarHBondContact N-OH 3.11Å; Y183-Y188 WeakPolarHBondContact O-CE2 3.44Å
184P96.7Very high94.4Very high73 Ų7364.3 Ų64.347%0.47432%0.317SS..  trans-60.2150.9171.6-24.335.3000112.5H186 I187P184-H186 VanDerWaalsContact CB-CE1 3.46Å; P184-H186 WeakPolarHBondContact CB-CE1 3.46Å; P184-H186 PolarHBondContact O-N 2.98Å; P184-I187 WeakPolarHBondContact O-CB 3.28Å; P184-I187 PolarHBondContact O-N 3.33Å
185Y96.8Very high94.9Very high33 Ų3361.6 Ų61.613%0.12931%0.305CS..Hα-helixtrans-45.2-43.3-178.9-177.8-110.6000114.5I43 K46 L47 E50 Y51 I187 Y188 T189I43-Y185 HydrophobicContact CG2-CD2 4.04Å; K46-Y185 HydrophobicContact CB-CE2 4.15Å; K46-Y185 HydrophobicContact CD-CD1 4.48Å; K46-Y185 HydrophobicContact CD-CD2 3.86Å; K46-Y185 HydrophobicContact CD-CE1 4.16Å; K46-Y185 HydrophobicContact CD-CE2 3.51Å; K46-Y185 HydrophobicContact CD-CG 4.35Å; K46-Y185 HydrophobicContact CG-CE2 3.76Å; L47-Y185 HydrophobicContact CD2-CD2 4.29Å; L47-Y185 HydrophobicContact CD2-CE2 3.43Å; L47-Y185 VanDerWaalsContact CD2-CE2 3.43Å; L47-Y185 HydrophobicContact CG-CD2 4.48Å; L47-Y185 HydrophobicContact CG-CE2 3.77Å; E50-Y185 PolarHBondContact OE2-OH 3.21Å; Y51-Y185 WeakPolarHBondContact CE2-OH 3.38Å; Y185-I187 PolarHBondContact O-N 2.67Å; Y185-Y188 PolarHBondContact O-N 2.56Å; Y185-T189 HydrophobicContact CD1-CG2 3.96Å; Y185-T189 HydrophobicContact CE1-CG2 3.4Å; Y185-T189 VanDerWaalsContact CE1-CG2 3.4Å; Y185-T189 HydrophobicContact CE2-CG2 4.1Å; Y185-T189 VanDerWaalsContact CZ-CG2 3.45Å; Y185-T189 PolarHBondContact O-N 2.85Å
186H95.9Very high95Very high115 Ų11553.4 Ų53.453%0.53227%0.267SS..Hα-helixtrans-63.6-27.8-174.566.2-99.2000113.4P184 T189 Y190P184-H186 VanDerWaalsContact CB-CE1 3.46Å; P184-H186 WeakPolarHBondContact CB-CE1 3.46Å; P184-H186 PolarHBondContact O-N 2.98Å; H186-T189 VanDerWaalsContact CA-OG1 3.29Å; H186-T189 WeakPolarHBondContact CA-OG1 3.01Å; H186-T189 PolarHBondContact O-N 2.82Å; H186-T189 PolarHBondContact O-OG1 2.83Å; H186-Y190 WeakPolarHBondContact O-CB 3.43Å; H186-Y190 PolarHBondContact O-N 3.34Å
187I97.2Very high94.9Very high57 Ų5755.4 Ų55.429%0.29229%0.288SS..Hα-helixtrans-65.4-45.5177.8-61-62.2000110.1Y183 P184 Y185 T189 Y190 I191Y183-I187 HydrophobicContact CG-CG2 4.4Å; P184-I187 WeakPolarHBondContact O-CB 3.28Å; P184-I187 PolarHBondContact O-N 3.33Å; Y185-I187 PolarHBondContact O-N 2.67Å; I187-T189 PolarHBondContact O-N 3.43Å; I187-Y190 WeakPolarHBondContact O-CB 3.42Å; I187-Y190 PolarHBondContact O-N 2.86Å; I187-I191 HydrophobicContact CG2-CD1 4.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.37Å; I187-I191 PolarHBondContact O-N 3.02Å; I187-I191 VanDerWaalsContact O-N 3.08Å
188Y97.2Very high94.5Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-66.2-39.4177.2-53.3-63.4000111.7L40 I43 L47 L165 F167 V179 G181 Y183 Y185 Y190 I191 I192L40-Y188 HydrophobicContact CD1-CE2 3.93Å; L40-Y188 WeakPolarHBondContact CD1-OH 3.25Å; I43-Y188 HydrophobicContact CD1-CE2 4.14Å; I43-Y188 HydrophobicContact CG2-CD2 3.57Å; I43-Y188 HydrophobicContact CG2-CE2 3.73Å; L47-Y188 HydrophobicContact CD1-CG 4.3Å; L165-Y188 HydrophobicContact CD1-CD1 3.69Å; L165-Y188 HydrophobicContact CD1-CE1 3.46Å; L165-Y188 VanDerWaalsContact CD1-CE1 3.46Å; L165-Y188 HydrophobicContact CG-CE1 4.45Å; F167-Y188 HydrophobicContact CZ-CD1 4.02Å; V179-Y188 HydrophobicContact CG1-CE1 4.17Å; G181-Y188 PolarHBondContact O-OH 2.96Å; Y183-Y188 PolarHBondContact N-OH 3.11Å; Y183-Y188 WeakPolarHBondContact O-CE2 3.44Å; Y185-Y188 PolarHBondContact O-N 2.56Å; Y188-Y190 VanDerWaalsContact C-N 3.33Å; Y188-Y190 PolarHBondContact O-N 3.47Å; Y188-I191 PolarHBondContact O-N 2.84Å; Y188-I192 WeakPolarHBondContact O-CD1 3.35Å; Y188-I192 VanDerWaalsContact O-CG1 3.25Å; Y188-I192 WeakPolarHBondContact O-CG1 3.49Å; Y188-I192 PolarHBondContact O-N 2.92Å
189T95.7Very high94.1Very high19 Ų1957.9 Ų57.912%0.11731%0.308CS..Hα-helixtrans-66.7-35.6175.160.30000112.5L47 Y51 Y185 H186 I187 I192 N193L47-T189 HydrophobicContact CD2-CG2 3.98Å; Y51-T189 HydrophobicContact CE2-CG2 3.72Å; Y185-T189 HydrophobicContact CD1-CG2 3.96Å; Y185-T189 HydrophobicContact CE1-CG2 3.4Å; Y185-T189 VanDerWaalsContact CE1-CG2 3.4Å; Y185-T189 HydrophobicContact CE2-CG2 4.1Å; Y185-T189 VanDerWaalsContact CZ-CG2 3.45Å; Y185-T189 PolarHBondContact O-N 2.85Å; H186-T189 VanDerWaalsContact CA-OG1 3.29Å; H186-T189 WeakPolarHBondContact CA-OG1 3.01Å; H186-T189 PolarHBondContact O-N 2.82Å; H186-T189 PolarHBondContact O-OG1 2.83Å; I187-T189 PolarHBondContact O-N 3.43Å; T189-I192 PolarHBondContact O-N 3.02Å; T189-N193 PolarHBondContact O-N 3.44Å; T189-N193 PolarHBondContact O-ND2 3.42Å
190Y95.4Very high93.7Very high140 Ų14058.1 Ų58.155%0.54931%0.308SS..Hα-helixtrans-59.2-51.4174.7172.9-93.6000110.1H186 I187 Y188 I192 N193 E194H186-Y190 WeakPolarHBondContact O-CB 3.43Å; H186-Y190 PolarHBondContact O-N 3.34Å; I187-Y190 WeakPolarHBondContact O-CB 3.42Å; I187-Y190 PolarHBondContact O-N 2.86Å; Y188-Y190 VanDerWaalsContact C-N 3.33Å; Y188-Y190 PolarHBondContact O-N 3.47Å; Y190-I192 VanDerWaalsContact C-N 3.33Å; Y190-I192 PolarHBondContact O-N 3.3Å; Y190-N193 PolarHBondContact O-N 3.05Å; Y190-N193 VanDerWaalsContact O-N 3.12Å; Y190-E194 HydrophobicContact CD1-CG 4.09Å; Y190-E194 HydrophobicContact CD2-CG 4.36Å; Y190-E194 HydrophobicContact CE1-CG 3.65Å; Y190-E194 HydrophobicContact CE2-CG 3.97Å; Y190-E194 HydrophobicContact CG-CG 4.41Å; Y190-E194 WeakPolarHBondContact O-CG 3.46Å; Y190-E194 PolarHBondContact O-N 3.44Å
191I94.9Very high93.5Very high12 Ų1261.9 Ų61.96%0.06233%0.326CS..Hα-helixtrans-56.2-46.9177.3-67.7166.6000111.8F167 L177 V179 I187 Y188 N193 E194 L195F167-I191 HydrophobicContact CB-CG2 4.25Å; F167-I191 HydrophobicContact CD1-CG2 3.67Å; F167-I191 HydrophobicContact CD2-CG2 3.96Å; F167-I191 HydrophobicContact CE1-CG2 3.94Å; F167-I191 HydrophobicContact CE2-CD1 4.23Å; F167-I191 HydrophobicContact CE2-CG2 4.22Å; F167-I191 HydrophobicContact CG-CG2 3.71Å; F167-I191 HydrophobicContact CZ-CD1 4.47Å; F167-I191 HydrophobicContact CZ-CG2 4.22Å; L177-I191 HydrophobicContact CD2-CB 4.22Å; L177-I191 HydrophobicContact CD2-CD1 3.86Å; L177-I191 HydrophobicContact CD2-CG1 3.7Å; L177-I191 HydrophobicContact CD2-CG2 3.56Å; V179-I191 HydrophobicContact CG2-CD1 3.4Å; I187-I191 HydrophobicContact CG2-CD1 4.28Å; I187-I191 WeakPolarHBondContact O-CG1 3.37Å; I187-I191 PolarHBondContact O-N 3.02Å; I187-I191 VanDerWaalsContact O-N 3.08Å; Y188-I191 PolarHBondContact O-N 2.84Å; I191-N193 VanDerWaalsContact C-N 3.34Å; I191-N193 PolarHBondContact O-N 3.03Å; I191-E194 PolarHBondContact O-N 2.86Å; I191-L195 HydrophobicContact CG2-CD1 3.8Å; I191-L195 HydrophobicContact CG2-CG 4.36Å; I191-L195 WeakPolarHBondContact O-CB 3.34Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 3.4Å
192I94.3Very high93.4Very high0 Ų066.4 Ų66.40%034%0.342CS..Hα-helixtrans-62.2-42.9179.3-66.9165.6000110.3I24 I26 L47 Y51 I55 F167 Y188 T189 Y190 M196 I200I24-I192 HydrophobicContact CD1-CB 4.35Å; I24-I192 HydrophobicContact CD1-CG2 3.94Å; I24-I192 WeakPolarHBondContact CD1-O 3.49Å; I26-I192 HydrophobicContact CD1-CD1 4.32Å; I26-I192 HydrophobicContact CD1-CG1 4.5Å; L47-I192 HydrophobicContact CD1-CD1 4.46Å; L47-I192 HydrophobicContact CD2-CD1 3.79Å; Y51-I192 HydrophobicContact CD2-CD1 4.39Å; I55-I192 HydrophobicContact CG2-CD1 4.14Å; I55-I192 HydrophobicContact CG2-CG1 4.35Å; I55-I192 HydrophobicContact CG2-CG2 4.03Å; F167-I192 HydrophobicContact CD1-CG1 4.45Å; F167-I192 HydrophobicContact CE1-CG1 4.1Å; Y188-I192 WeakPolarHBondContact O-CD1 3.35Å; Y188-I192 VanDerWaalsContact O-CG1 3.25Å; Y188-I192 WeakPolarHBondContact O-CG1 3.49Å; Y188-I192 PolarHBondContact O-N 2.92Å; T189-I192 PolarHBondContact O-N 3.02Å; Y190-I192 VanDerWaalsContact C-N 3.33Å; Y190-I192 PolarHBondContact O-N 3.3Å; I192-M196 HydrophobicContact CG2-CG 4.38Å; I192-M196 WeakPolarHBondContact O-CB 3.12Å; I192-M196 WeakPolarHBondContact O-CG 3.23Å; I192-M196 PolarHBondContact O-N 2.91Å; I192-I200 HydrophobicContact CG2-CD1 3.5Å; I192-I200 VanDerWaalsContact CG2-CD1 3.5Å
193N93Very high93.3Very high55 Ų5566.7 Ų66.729%0.29434%0.344SS..Hα-helixtrans-64.7-43.7177.7-78.8-75.2000112.2T189 Y190 I191 M196 G197 I200T189-N193 PolarHBondContact O-N 3.44Å; T189-N193 PolarHBondContact O-ND2 3.42Å; Y190-N193 PolarHBondContact O-N 3.05Å; Y190-N193 VanDerWaalsContact O-N 3.12Å; I191-N193 VanDerWaalsContact C-N 3.34Å; I191-N193 PolarHBondContact O-N 3.03Å; N193-M196 PolarHBondContact O-N 3.31Å; N193-G197 PolarHBondContact O-N 3.35Å; N193-G197 VanDerWaalsContact O-N 3.14Å; N193-I200 WeakPolarHBondContact OD1-CG1 3.39Å
194E91.6Very high93.2Very high119 Ų11969.1 Ų69.156%0.55636%0.364SS*.Hα-helixtrans-61.1-49.2178.4-69.5-64.2110.100111.2Y190 I191 M196 G197Y190-E194 HydrophobicContact CD1-CG 4.09Å; Y190-E194 HydrophobicContact CD2-CG 4.36Å; Y190-E194 HydrophobicContact CE1-CG 3.65Å; Y190-E194 HydrophobicContact CE2-CG 3.97Å; Y190-E194 HydrophobicContact CG-CG 4.41Å; Y190-E194 WeakPolarHBondContact O-CG 3.46Å; Y190-E194 PolarHBondContact O-N 3.44Å; I191-E194 PolarHBondContact O-N 2.86Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.36Å; E194-G197 PolarHBondContact O-N 3.01Å; E194-G197 VanDerWaalsContact O-N 3.16Å
195L91.1Very high93.2Very high44 Ų4467.7 Ų67.723%0.2335%0.354CS..Hα-helixtrans-66.6-27.6178.6-70.8175.7000113.3I24 F167 I191I24-L195 HydrophobicContact CD1-CB 3.61Å; I24-L195 HydrophobicContact CD1-CD1 4.35Å; I24-L195 HydrophobicContact CG1-CB 4.19Å; I24-L195 HydrophobicContact CG2-CD1 4.23Å; F167-L195 HydrophobicContact CB-CD1 3.47Å; F167-L195 VanDerWaalsContact CB-CD1 3.47Å; F167-L195 HydrophobicContact CD1-CD1 4.41Å; F167-L195 HydrophobicContact CG-CD1 4.26Å; I191-L195 HydrophobicContact CG2-CD1 3.8Å; I191-L195 HydrophobicContact CG2-CG 4.36Å; I191-L195 WeakPolarHBondContact O-CB 3.34Å; I191-L195 WeakPolarHBondContact O-CG 3.28Å; I191-L195 PolarHBondContact O-N 3.4Å
196M89.8Confident93.1Very high14 Ų1468.1 Ų68.17%0.06936%0.361CS..Hα-helixtrans-75.1-27.3175.3-74.5-61.6-5700112.5S22 I24 Y54 I192 N193 E194 K198 I200S22-M196 WeakPolarHBondContact O-CE 3.39Å; S22-M196 VanDerWaalsContact OG-CE 3.23Å; S22-M196 WeakPolarHBondContact OG-CE 3.37Å; I24-M196 HydrophobicContact CD1-CG 3.65Å; I24-M196 HydrophobicContact CD1-SD 3.78Å; I24-M196 HydrophobicContact CG1-CG 4.48Å; I24-M196 HydrophobicContact CG1-SD 3.98Å; Y54-M196 HydrophobicContact CD1-CE 3.59Å; Y54-M196 HydrophobicContact CD1-SD 4.43Å; Y54-M196 HydrophobicContact CE1-CE 4.28Å; Y54-M196 HydrophobicContact CG-CE 4.36Å; I192-M196 HydrophobicContact CG2-CG 4.38Å; I192-M196 WeakPolarHBondContact O-CB 3.12Å; I192-M196 WeakPolarHBondContact O-CG 3.23Å; I192-M196 PolarHBondContact O-N 2.91Å; N193-M196 PolarHBondContact O-N 3.31Å; E194-M196 VanDerWaalsContact C-N 3.28Å; E194-M196 PolarHBondContact O-N 3.36Å; M196-K198 HydrophobicContact CE-CG 4.48Å; M196-K198 PolarHBondContact O-N 2.59Å; M196-I200 HydrophobicContact CB-CG2 3.89Å; M196-I200 HydrophobicContact CE-CG2 3.83Å; M196-I200 HydrophobicContact CG-CD1 4.18Å; M196-I200 HydrophobicContact CG-CG2 3.75Å
197G87.1Confident93.1Very high74 Ų7470.6 Ų70.676%0.76337%0.37SS*.  trans62.74.9-179.100000115.2N193 E194N193-G197 PolarHBondContact O-N 3.35Å; N193-G197 VanDerWaalsContact O-N 3.14Å; E194-G197 PolarHBondContact O-N 3.01Å; E194-G197 VanDerWaalsContact O-N 3.16Å
198K86.7Confident93.1Very high77 Ų7768.4 Ų68.434%0.33536%0.359SS..SBendtrans-143.9153-178.368.9-175.6172.8-175.20110M196 I200M196-K198 HydrophobicContact CE-CG 4.48Å; M196-K198 PolarHBondContact O-N 2.59Å; K198-I200 PolarHBondContact O-N 3.36Å
199P87Confident93Very high126 Ų12671.2 Ų71.282%0.81837%0.372SS*.  trans-58.3131174.125-34.1000110.2
200I90.5Very high93Very high20 Ų2072.3 Ų72.310%0.10338%0.379CS..  trans-116.5146.517753.6177.2000110.4Y51 Y54 I192 N193 M196 K198Y51-I200 HydrophobicContact CD1-CD1 3.63Å; Y51-I200 HydrophobicContact CD1-CG1 4.27Å; Y51-I200 HydrophobicContact CE1-CD1 3.39Å; Y51-I200 HydrophobicContact CE1-CG1 3.81Å; Y54-I200 HydrophobicContact CD1-CB 4.43Å; Y54-I200 HydrophobicContact CD1-CG2 3.76Å; Y54-I200 HydrophobicContact CD2-CB 4.11Å; Y54-I200 HydrophobicContact CD2-CG2 4.28Å; Y54-I200 HydrophobicContact CE1-CB 4.16Å; Y54-I200 HydrophobicContact CE1-CG2 3.67Å; Y54-I200 HydrophobicContact CE2-CB 3.81Å; Y54-I200 HydrophobicContact CE2-CG2 4.19Å; Y54-I200 HydrophobicContact CG-CB 4.39Å; Y54-I200 HydrophobicContact CG-CG2 4.06Å; I192-I200 HydrophobicContact CG2-CD1 3.5Å; I192-I200 VanDerWaalsContact CG2-CD1 3.5Å; N193-I200 WeakPolarHBondContact OD1-CG1 3.39Å; M196-I200 HydrophobicContact CB-CG2 3.89Å; M196-I200 HydrophobicContact CE-CG2 3.83Å; M196-I200 HydrophobicContact CG-CD1 4.18Å; M196-I200 HydrophobicContact CG-CG2 3.75Å; K198-I200 PolarHBondContact O-N 3.36Å
201E92Very high93Very high144 Ų14465.8 Ų65.867%0.67335%0.353SS*.PPolyproline II helixtrans-101.5143.3-175.7-65-177.3170.900111.7Y54Y54-E201 VanDerWaalsContact CE2-O 3.3Å; Y54-E201 WeakPolarHBondContact CE2-O 3.42Å; Y54-E201 PolarHBondContact OH-N 2.84Å
202K94.1Very high92.9Very high108 Ų10865.2 Ų65.247%0.4735%0.351SS..PPolyproline II helixtrans-89.2129.2176.9-64.5175.5168.1-152.10110.3E50 Y51E50-K202 HydrophobicContact CB-CB 4.18Å; E50-K202 HydrophobicContact CB-CG 4.23Å; E50-K202 HydrophobicContact CG-CB 4.33Å; E50-K202 WeakPolarHBondContact OE2-CD 3.46Å; E50-K202 WeakPolarHBondContact OE2-CE 3.34Å; E50-K202 IonicContact OE2-NZ 2.84Å; E50-K202 PolarHBondContact OE2-NZ 3.42Å; Y51-K202 HydrophobicContact CE1-CG 4.09Å; Y51-K202 WeakPolarHBondContact OH-CE 3.48Å
203N95.2Very high92.9Very high63 Ų6366.8 Ų66.834%0.33736%0.358SS..PPolyproline II helixtrans-73.2147165.6-69-48.5000110.9I49 E50I49-N203 WeakPolarHBondContact O-CB 3.18Å; E50-N203 PolarHBondContact O-N 2.95Å
204L95Very high92.8Very high159 Ų15967.4 Ų67.483%0.83236%0.359SS*.PPolyproline II helixtrans-72.7145.2173.3-67.6173.1000110.9
205P95.8Very high92.7Very high42 Ų4263.5 Ų63.527%0.27334%0.341SS..PPolyproline II helixtrans-62.1147.7173.526.8-33.5000111.4I49 I226 Y227I49-P205 HydrophobicContact CG2-CB 4.02Å; P205-I226 HydrophobicContact CB-CG2 3.97Å; P205-Y227 HydrophobicContact CB-CD1 4.2Å; P205-Y227 HydrophobicContact CB-CE1 3.92Å; P205-Y227 HydrophobicContact CG-CD1 3.98Å; P205-Y227 HydrophobicContact CG-CE1 4.12Å
206P95.5Very high92.7Very high43 Ų4362.2 Ų62.228%0.27933%0.333SS..PPolyproline II helixtrans-61.4170.6173.828.3-35.3000110.7L208 Y211 Y227P206-L208 PolarHBondContact O-N 3.4Å; P206-Y211 HydrophobicContact CG-CD2 4.07Å; P206-Y227 VanDerWaalsContact O-CE1 3.27Å; P206-Y227 WeakPolarHBondContact O-CE1 3.46Å; P206-Y227 PolarHBondContact O-OH 3.24Å
207K96.2Very high92.7Very high166 Ų16662 Ų6272%0.72233%0.332SS*.PPolyproline II helixtrans-58.7141.5173.3-66.6-179.2179.5177.90110.1E209 T210 Y211K207-E209 PolarHBondContact O-N 3.08Å; K207-E209 VanDerWaalsContact O-N 3.15Å; K207-T210 WeakPolarHBondContact O-CA 3.46Å; K207-T210 WeakPolarHBondContact O-CB 3.31Å; K207-T210 PolarHBondContact O-N 3.49Å; K207-Y211 PolarHBondContact O-N 2.84Å
208L96.5Very high93Very high12 Ų1258.4 Ų58.46%0.06330%0.296CS..Hα-helixtrans-48-46.3179-176.662.8000112.8P206 T210 Y211 I212 L223 Y227 W229 L234 E237 L238 L241P206-L208 PolarHBondContact O-N 3.4Å; L208-T210 PolarHBondContact O-N 3.26Å; L208-Y211 PolarHBondContact O-N 2.78Å; L208-I212 HydrophobicContact CD1-CD1 3.92Å; L208-I212 HydrophobicContact CD1-CG1 4.33Å; L208-I212 HydrophobicContact CG-CD1 3.89Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.49Å; L208-L223 HydrophobicContact CD1-CD1 4.15Å; L208-L223 HydrophobicContact CD1-CD2 3.67Å; L208-L223 HydrophobicContact CD1-CG 4.44Å; L208-Y227 VanDerWaalsContact CA-OH 3.29Å; L208-Y227 WeakPolarHBondContact CA-OH 3.46Å; L208-Y227 HydrophobicContact CB-CE1 4.48Å; L208-Y227 HydrophobicContact CD1-CD2 4.2Å; L208-Y227 HydrophobicContact CD1-CE2 3.68Å; L208-Y227 PolarHBondContact N-OH 3.08Å; L208-W229 HydrophobicContact CD2-CZ3 4.47Å; L208-L234 HydrophobicContact CD1-CD1 4.08Å; L208-L234 HydrophobicContact CD2-CD1 3.93Å; L208-E237 HydrophobicContact CD2-CB 3.79Å; L208-L238 HydrophobicContact CD2-CD2 4.06Å; L208-L238 HydrophobicContact CD2-CG 4.21Å; L208-L241 HydrophobicContact CD2-CD1 4.05Å; L208-L241 HydrophobicContact CG-CD1 4.04Å
209E95.8Very high93.3Very high58 Ų5855.2 Ų55.227%0.27128%0.283SS..Hα-helixtrans-57.7-48.9175.7-175.9-179.1153.900112.8K207 Y211 I212 Q213 L241 K246 M262K207-E209 PolarHBondContact O-N 3.08Å; K207-E209 VanDerWaalsContact O-N 3.15Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 2.91Å; E209-I212 PolarHBondContact O-N 2.65Å; E209-Q213 VanDerWaalsContact O-CB 3.27Å; E209-Q213 WeakPolarHBondContact O-CB 3.36Å; E209-Q213 PolarHBondContact O-N 2.81Å; E209-L241 HydrophobicContact CB-CD1 4.24Å; E209-L241 HydrophobicContact CB-CD2 3.93Å; E209-L241 HydrophobicContact CG-CD2 4.1Å; E209-K246 VanDerWaalsContact CD-CD 3.47Å; E209-K246 HydrophobicContact CG-CD 4.09Å; E209-K246 WeakPolarHBondContact OE1-CD 3.5Å; E209-K246 WeakPolarHBondContact OE1-CE 3.48Å; E209-K246 IonicContact OE1-NZ 2.72Å; E209-K246 PolarHBondContact OE1-NZ 3.34Å; E209-K246 IonicContact OE2-NZ 2.71Å; E209-K246 PolarHBondContact OE2-NZ 3.04Å; E209-M262 HydrophobicContact CG-CE 3.77Å; E209-M262 HydrophobicContact CG-SD 4.15Å
210T95.3Very high93.6Very high42 Ų4250.3 Ų50.326%0.25825%0.249SC..Hα-helixtrans-62.3-42179.8-55.10000110.9K207 L208 Q213 Q214 I265K207-T210 WeakPolarHBondContact O-CA 3.46Å; K207-T210 WeakPolarHBondContact O-CB 3.31Å; K207-T210 PolarHBondContact O-N 3.49Å; L208-T210 PolarHBondContact O-N 3.26Å; T210-Q213 PolarHBondContact O-N 3.25Å; T210-Q214 WeakPolarHBondContact O-CB 3.24Å; T210-Q214 VanDerWaalsContact O-CG 3.23Å; T210-Q214 WeakPolarHBondContact O-CG 3.21Å; T210-Q214 PolarHBondContact O-N 3.5Å; T210-I265 HydrophobicContact CG2-CD1 3.92Å
211Y95.1Very high93.7Very high4 Ų453.7 Ų53.72%0.01627%0.265CS..Hα-helixtrans-63.8-49.9178.6-172.1-101.9000112.1S45 I49 P206 K207 L208 E209 Q213 Q214 Q215 V218 E222 L223 I226 Y227S45-Y211 WeakPolarHBondContact CB-OH 3.39Å; I49-Y211 HydrophobicContact CD1-CD2 4.13Å; I49-Y211 HydrophobicContact CD1-CE2 3.76Å; P206-Y211 HydrophobicContact CG-CD2 4.07Å; K207-Y211 PolarHBondContact O-N 2.84Å; L208-Y211 PolarHBondContact O-N 2.78Å; E209-Y211 VanDerWaalsContact C-N 3.33Å; E209-Y211 PolarHBondContact O-N 2.91Å; Y211-Q213 VanDerWaalsContact C-N 3.29Å; Y211-Q213 PolarHBondContact O-N 3.15Å; Y211-Q214 WeakPolarHBondContact O-CB 3.44Å; Y211-Q214 PolarHBondContact O-N 3.34Å; Y211-Q215 HydrophobicContact CD1-CG 4.36Å; Y211-Q215 HydrophobicContact CE1-CG 3.8Å; Y211-Q215 HydrophobicContact CE2-CG 3.99Å; Y211-Q215 PolarHBondContact O-N 3.23Å; Y211-V218 HydrophobicContact CD1-CG1 4.23Å; Y211-V218 HydrophobicContact CE1-CG1 3.86Å; Y211-E222 HydrophobicContact CE1-CG 4.47Å; Y211-E222 WeakPolarHBondContact CE1-OE1 3.43Å; Y211-E222 VanDerWaalsContact CZ-OE1 3.31Å; Y211-E222 PolarHBondContact OH-OE1 2.92Å; Y211-L223 HydrophobicContact CD1-CD2 3.85Å; Y211-L223 HydrophobicContact CE1-CD2 4.17Å; Y211-I226 HydrophobicContact CE1-CD1 3.64Å; Y211-I226 HydrophobicContact CE2-CD1 3.96Å; Y211-I226 WeakPolarHBondContact OH-CD1 3.36Å; Y211-Y227 WeakPolarHBondContact CB-OH 3.37Å; Y211-Y227 HydrophobicContact CD1-CE2 4.5Å
212I94.5Very high93.8Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-62.4-39.8178.5-61.4168.8000110.4L208 E209 Q214 Q216 V218 L223 L238 L241 I247L208-I212 HydrophobicContact CD1-CD1 3.92Å; L208-I212 HydrophobicContact CD1-CG1 4.33Å; L208-I212 HydrophobicContact CG-CD1 3.89Å; L208-I212 VanDerWaalsContact O-CG1 3.29Å; L208-I212 WeakPolarHBondContact O-CG1 3.44Å; L208-I212 PolarHBondContact O-N 3.49Å; E209-I212 PolarHBondContact O-N 2.65Å; I212-Q214 VanDerWaalsContact C-N 3.3Å; I212-Q214 PolarHBondContact O-N 2.87Å; I212-Q216 WeakPolarHBondContact O-CA 3.33Å; I212-Q216 PolarHBondContact O-N 3.28Å; I212-V218 HydrophobicContact CG1-CG2 3.87Å; I212-V218 HydrophobicContact CG2-CG2 4.41Å; I212-L223 HydrophobicContact CD1-CD1 4.43Å; I212-L223 HydrophobicContact CG1-CD2 4.42Å; I212-L238 HydrophobicContact CD1-CD2 3.72Å; I212-L241 HydrophobicContact CD1-CD1 4.24Å; I212-I247 HydrophobicContact CB-CG2 4.37Å; I212-I247 HydrophobicContact CD1-CD1 4.19Å; I212-I247 HydrophobicContact CD1-CG2 4.26Å; I212-I247 HydrophobicContact CG2-CG2 3.69Å
213Q93.3Very high93.9Very high33 Ų3341.8 Ų41.815%0.15421%0.211CC..Hα-helixtrans-62.7-36174-170.3179.514.900112.5E209 T210 Y211 Q216 M262 P263 I265E209-Q213 VanDerWaalsContact O-CB 3.27Å; E209-Q213 WeakPolarHBondContact O-CB 3.36Å; E209-Q213 PolarHBondContact O-N 2.81Å; T210-Q213 PolarHBondContact O-N 3.25Å; Y211-Q213 VanDerWaalsContact C-N 3.29Å; Y211-Q213 PolarHBondContact O-N 3.15Å; Q213-Q216 PolarHBondContact O-NE2 3.39Å; Q213-M262 HydrophobicContact CB-CE 3.9Å; Q213-M262 HydrophobicContact CG-CB 4.01Å; Q213-M262 HydrophobicContact CG-CE 4.26Å; Q213-P263 PolarHBondContact NE2-O 3.33Å; Q213-I265 HydrophobicContact CG-CD1 4.46Å; Q213-I265 HydrophobicContact CG-CG1 4.07Å
214Q91Very high93.9Very high68 Ų6841.3 Ų41.332%0.31821%0.208SC..Hα-helixtrans-71.5-47.1178.1-76.4171.9-6.900111.5R99 T210 Y211 I212 I265R99-Q214 PolarHBondContact NE-O 3.44Å; R99-Q214 PolarHBondContact NH1-O 2.52Å; R99-Q214 PolarHBondContact NH2-O 3.19Å; T210-Q214 WeakPolarHBondContact O-CB 3.24Å; T210-Q214 VanDerWaalsContact O-CG 3.23Å; T210-Q214 WeakPolarHBondContact O-CG 3.21Å; T210-Q214 PolarHBondContact O-N 3.5Å; Y211-Q214 WeakPolarHBondContact O-CB 3.44Å; Y211-Q214 PolarHBondContact O-N 3.34Å; I212-Q214 VanDerWaalsContact C-N 3.3Å; I212-Q214 PolarHBondContact O-N 2.87Å; Q214-I265 HydrophobicContact CG-CD1 4.31Å
215Q89.4Confident94Very high36 Ų3635.4 Ų35.417%0.16818%0.179CC..Hα-helixtrans-80.7-18.6-176.8-60.7-55-11.500114.2Y211 L217 V218Y211-Q215 HydrophobicContact CD1-CG 4.36Å; Y211-Q215 HydrophobicContact CE1-CG 3.8Å; Y211-Q215 HydrophobicContact CE2-CG 3.99Å; Y211-Q215 PolarHBondContact O-N 3.23Å; Q215-L217 PolarHBondContact O-N 3.43Å; Q215-V218 HydrophobicContact CB-CG1 3.5Å; Q215-V218 HydrophobicContact CG-CG1 4.01Å
216Q90Very high94Very high17 Ų1733.6 Ų33.68%0.07917%0.167CC..SBendtrans65.7-33-177.9-64.5-72.4-55.500115.2I212 Q213 K259 S260 M262I212-Q216 WeakPolarHBondContact O-CA 3.33Å; I212-Q216 PolarHBondContact O-N 3.28Å; Q213-Q216 PolarHBondContact O-NE2 3.39Å; Q216-K259 CarbonylContact O-C 3.54Å; Q216-K259 VanDerWaalsContact O-CA 3.31Å; Q216-K259 WeakPolarHBondContact O-CA 3.41Å; Q216-S260 PolarHBondContact O-N 3.28Å; Q216-M262 PolarHBondContact NE2-O 3.03Å
217L91.4Very high94.1Very high9 Ų932.2 Ų32.25%0.04716%0.156CC..EExtended strand (participates in β ladder)trans-144127.7172.8-175.364.4000109H102 L103 N106 Q215 L250 F257 K259H102-L217 PolarHBondContact NE2-O 3.18Å; L103-L217 HydrophobicContact CD2-CB 3.61Å; L103-L217 HydrophobicContact CD2-CD2 4.42Å; N106-L217 HydrophobicContact CB-CD2 3.69Å; N106-L217 HydrophobicContact CB-CG 4.29Å; N106-L217 PolarHBondContact ND2-O 3.01Å; Q215-L217 PolarHBondContact O-N 3.43Å; L217-L250 HydrophobicContact CD1-CD1 4.07Å; L217-F257 HydrophobicContact CD1-CB 4.12Å; L217-F257 HydrophobicContact CD1-CD1 4.28Å; L217-F257 HydrophobicContact CG-CD1 4.27Å; L217-K259 HydrophobicContact CD1-CB 3.99Å
218V93.8Very high94Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-136.5156.7179.6-60.30000111Y211 I212 Q215 E222 L223 F257 W258Y211-V218 HydrophobicContact CD1-CG1 4.23Å; Y211-V218 HydrophobicContact CE1-CG1 3.86Å; I212-V218 HydrophobicContact CG1-CG2 3.87Å; I212-V218 HydrophobicContact CG2-CG2 4.41Å; Q215-V218 HydrophobicContact CB-CG1 3.5Å; Q215-V218 HydrophobicContact CG-CG1 4.01Å; V218-E222 WeakPolarHBondContact CA-OE2 3.44Å; V218-E222 WeakPolarHBondContact CB-OE2 3.44Å; V218-L223 HydrophobicContact CB-CD2 4.48Å; V218-L223 HydrophobicContact CB-CG 4.44Å; V218-L223 HydrophobicContact CG2-CD1 3.82Å; V218-L223 HydrophobicContact CG2-CD2 4.03Å; V218-L223 HydrophobicContact CG2-CG 3.93Å; V218-F257 WeakPolarHBondContact O-CA 3.33Å; V218-W258 HydrophobicContact CG2-CB 4.06Å; V218-W258 PolarHBondContact N-O 3.11Å; V218-W258 VanDerWaalsContact N-O 3.08Å; V218-W258 PolarHBondContact O-N 3.41Å
219T93Very high94Very high10 Ų1034.3 Ų34.36%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-94.7157.9175.774.20000111.3F38 N106 E221 E222 L223 F257F38-T219 HydrophobicContact CE1-CG2 4.31Å; F38-T219 HydrophobicContact CE2-CG2 4.43Å; F38-T219 HydrophobicContact CZ-CG2 3.61Å; N106-T219 WeakPolarHBondContact OD1-CG2 3.42Å; T219-E221 VanDerWaalsContact C-N 3.25Å; T219-E221 PolarHBondContact O-N 3.3Å; T219-E221 PolarHBondContact OG1-N 3.48Å; T219-E222 PolarHBondContact N-OE2 3.25Å; T219-E222 PolarHBondContact O-N 3Å; T219-E222 VanDerWaalsContact OG1-CB 3.25Å; T219-E222 WeakPolarHBondContact OG1-CB 3.44Å; T219-E222 PolarHBondContact OG1-N 2.91Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 2.84Å; T219-F257 HydrophobicContact CG2-CD1 3.82Å; T219-F257 HydrophobicContact CG2-CE1 3.15Å; T219-F257 HydrophobicContact CG2-CE2 4.41Å; T219-F257 HydrophobicContact CG2-CZ 3.44Å; T219-F257 VanDerWaalsContact CG2-CZ 3.44Å
220M93.2Very high94Very high23 Ų2336 Ų3611%0.11318%0.18CC..Hα-helixtrans-59.3-39.7169.5-172.567.1179.700111.8L223 L224 E231 L234 L238 D256M220-L223 PolarHBondContact O-N 3.05Å; M220-L224 HydrophobicContact CE-CD1 4.22Å; M220-L224 HydrophobicContact CE-CD2 4.28Å; M220-L224 HydrophobicContact CE-CG 4.24Å; M220-L224 HydrophobicContact CG-CD1 4.08Å; M220-L224 HydrophobicContact CG-CG 4.49Å; M220-L224 WeakPolarHBondContact O-CG 3.41Å; M220-L224 PolarHBondContact O-N 3.17Å; M220-E231 HydrophobicContact CE-CG 3.54Å; M220-L234 HydrophobicContact CE-CB 4.34Å; M220-L234 HydrophobicContact CE-CD2 3.72Å; M220-L234 HydrophobicContact CE-CG 4.09Å; M220-L234 HydrophobicContact SD-CD2 3.89Å; M220-L234 HydrophobicContact SD-CG 4.36Å; M220-L238 HydrophobicContact SD-CD1 3.85Å; M220-D256 PolarHBondContact N-O 2.98Å; M220-D256 VanDerWaalsContact N-O 3.16Å
221E91.4Very high94Very high90 Ų9039.6 Ų39.642%0.42119%0.194SC..Hα-helixtrans-60.7-48.1178.6-176.4175.9-176.300111.4T219 L223 L224 T225T219-E221 VanDerWaalsContact C-N 3.25Å; T219-E221 PolarHBondContact O-N 3.3Å; T219-E221 PolarHBondContact OG1-N 3.48Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.94Å; E221-L224 PolarHBondContact O-N 3.09Å; E221-T225 PolarHBondContact O-N 3.23Å; E221-T225 PolarHBondContact O-OG1 3.2Å
222E94.4Very high94.1Very high2 Ų248.4 Ų48.41%0.00923%0.232CC..Hα-helixtrans-56.8-45.9177.7179.4-173.2174.600111.8A42 H102 Y211 V218 T219 T225 I226A42-E222 HydrophobicContact CB-CB 4.07Å; A42-E222 HydrophobicContact CB-CG 4.19Å; H102-E222 IonicContact CE1-OE1 3.33Å; H102-E222 IonicContact CE1-OE2 2.67Å; H102-E222 PolarHBondContact CE1-OE2 2.89Å; H102-E222 VanDerWaalsContact CE1-OE2 3.26Å; H102-E222 IonicContact NE2-OE1 3.46Å; H102-E222 IonicContact NE2-OE2 3.13Å; H102-E222 PolarHBondContact NE2-OE2 3.45Å; Y211-E222 HydrophobicContact CE1-CG 4.47Å; Y211-E222 WeakPolarHBondContact CE1-OE1 3.43Å; Y211-E222 VanDerWaalsContact CZ-OE1 3.31Å; Y211-E222 PolarHBondContact OH-OE1 2.92Å; V218-E222 WeakPolarHBondContact CA-OE2 3.44Å; V218-E222 WeakPolarHBondContact CB-OE2 3.44Å; T219-E222 PolarHBondContact N-OE2 3.25Å; T219-E222 PolarHBondContact O-N 3Å; T219-E222 VanDerWaalsContact OG1-CB 3.25Å; T219-E222 WeakPolarHBondContact OG1-CB 3.44Å; T219-E222 PolarHBondContact OG1-N 2.91Å; E222-T225 PolarHBondContact O-N 3.41Å; E222-I226 HydrophobicContact CG-CD1 3.82Å; E222-I226 VanDerWaalsContact O-CG1 3.3Å; E222-I226 WeakPolarHBondContact O-CG1 3.38Å; E222-I226 PolarHBondContact O-N 3.5Å
223L96.6Very high94.2Very high0 Ų051.9 Ų51.90%025%0.25CS..Hα-helixtrans-66.4-40.7178.4-66.2178.5000112.2L208 Y211 I212 V218 T219 M220 E221 T225 I226 Y227 L234 L238L208-L223 HydrophobicContact CD1-CD1 4.15Å; L208-L223 HydrophobicContact CD1-CD2 3.67Å; L208-L223 HydrophobicContact CD1-CG 4.44Å; Y211-L223 HydrophobicContact CD1-CD2 3.85Å; Y211-L223 HydrophobicContact CE1-CD2 4.17Å; I212-L223 HydrophobicContact CD1-CD1 4.43Å; I212-L223 HydrophobicContact CG1-CD2 4.42Å; V218-L223 HydrophobicContact CB-CD2 4.48Å; V218-L223 HydrophobicContact CB-CG 4.44Å; V218-L223 HydrophobicContact CG2-CD1 3.82Å; V218-L223 HydrophobicContact CG2-CD2 4.03Å; V218-L223 HydrophobicContact CG2-CG 3.93Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 2.84Å; M220-L223 PolarHBondContact O-N 3.05Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.94Å; L223-T225 VanDerWaalsContact C-N 3.32Å; L223-T225 PolarHBondContact O-N 3.23Å; L223-I226 PolarHBondContact O-N 3.38Å; L223-Y227 HydrophobicContact CD2-CD2 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 3.86Å; L223-Y227 WeakPolarHBondContact O-CB 3.36Å; L223-Y227 VanDerWaalsContact O-CD2 3.32Å; L223-Y227 WeakPolarHBondContact O-CD2 3.3Å; L223-Y227 PolarHBondContact O-N 3Å; L223-L234 HydrophobicContact CB-CD1 4.3Å; L223-L234 HydrophobicContact CB-CD2 3.7Å; L223-L238 HydrophobicContact CD1-CD1 4.17Å; L223-L238 HydrophobicContact CD1-CD2 3.88Å
224L95.8Very high94.4Very high53 Ų5350.3 Ų50.328%0.27724%0.243SC..Hα-helixtrans-63.2-40.8175.4-73.8169.3000111.4M220 E221 E228 E231 L234M220-L224 HydrophobicContact CE-CD1 4.22Å; M220-L224 HydrophobicContact CE-CD2 4.28Å; M220-L224 HydrophobicContact CE-CG 4.24Å; M220-L224 HydrophobicContact CG-CD1 4.08Å; M220-L224 HydrophobicContact CG-CG 4.49Å; M220-L224 WeakPolarHBondContact O-CG 3.41Å; M220-L224 PolarHBondContact O-N 3.17Å; E221-L224 PolarHBondContact O-N 3.09Å; L224-E228 WeakPolarHBondContact O-CA 3.47Å; L224-E228 PolarHBondContact O-N 3.25Å; L224-E228 VanDerWaalsContact O-N 3.08Å; L224-E231 HydrophobicContact CD1-CG 4.4Å; L224-E231 HydrophobicContact CD2-CB 4.14Å; L224-E231 HydrophobicContact CD2-CG 4.26Å; L224-L234 HydrophobicContact CD2-CD2 3.63Å; L224-L234 HydrophobicContact CG-CD2 3.77Å
225T95.5Very high94.7Very high36 Ų3648.7 Ų48.722%0.22124%0.237CC..Hα-helixtrans-60.9-49.9176.3-59.20000111.3A42 I43 K46 E221 E222 L223A42-T225 HydrophobicContact CB-CG2 4.37Å; I43-T225 HydrophobicContact CG1-CG2 4.34Å; K46-T225 HydrophobicContact CB-CG2 4.48Å; K46-T225 HydrophobicContact CD-CG2 4.14Å; K46-T225 VanDerWaalsContact CD-O 3.25Å; K46-T225 WeakPolarHBondContact CD-O 3.36Å; K46-T225 WeakPolarHBondContact CE-O 3.08Å; K46-T225 PolarHBondContact NZ-O 2.85Å; E221-T225 PolarHBondContact O-N 3.23Å; E221-T225 PolarHBondContact O-OG1 3.2Å; E222-T225 PolarHBondContact O-N 3.41Å; L223-T225 VanDerWaalsContact C-N 3.32Å; L223-T225 PolarHBondContact O-N 3.23Å
226I96.6Very high95Very high4 Ų453.7 Ų53.72%0.02126%0.258CS..Hα-helixtrans-71.9-45.6-173.1-68.9169000112.6K46 I49 P205 Y211 E222 L223K46-I226 HydrophobicContact CB-CG1 4.03Å; I49-I226 HydrophobicContact CD1-CD1 4.15Å; I49-I226 HydrophobicContact CD1-CG1 4.38Å; I49-I226 HydrophobicContact CD1-CG2 3.57Å; P205-I226 HydrophobicContact CB-CG2 3.97Å; Y211-I226 HydrophobicContact CE1-CD1 3.64Å; Y211-I226 HydrophobicContact CE2-CD1 3.96Å; Y211-I226 WeakPolarHBondContact OH-CD1 3.36Å; E222-I226 HydrophobicContact CG-CD1 3.82Å; E222-I226 VanDerWaalsContact O-CG1 3.3Å; E222-I226 WeakPolarHBondContact O-CG1 3.38Å; E222-I226 PolarHBondContact O-N 3.5Å; L223-I226 PolarHBondContact O-N 3.38Å
227Y96.6Very high95.4Very high13 Ų1355.4 Ų55.45%0.05127%0.266CS..Hα-helixtrans-90.8-20.7-172.1-70.3-87.6000113.4P205 P206 L208 Y211 L223 W229P205-Y227 HydrophobicContact CB-CD1 4.2Å; P205-Y227 HydrophobicContact CB-CE1 3.92Å; P205-Y227 HydrophobicContact CG-CD1 3.98Å; P205-Y227 HydrophobicContact CG-CE1 4.12Å; P206-Y227 VanDerWaalsContact O-CE1 3.27Å; P206-Y227 WeakPolarHBondContact O-CE1 3.46Å; P206-Y227 PolarHBondContact O-OH 3.24Å; L208-Y227 VanDerWaalsContact CA-OH 3.29Å; L208-Y227 WeakPolarHBondContact CA-OH 3.46Å; L208-Y227 HydrophobicContact CB-CE1 4.48Å; L208-Y227 HydrophobicContact CD1-CD2 4.2Å; L208-Y227 HydrophobicContact CD1-CE2 3.68Å; L208-Y227 PolarHBondContact N-OH 3.08Å; Y211-Y227 WeakPolarHBondContact CB-OH 3.37Å; Y211-Y227 HydrophobicContact CD1-CE2 4.5Å; L223-Y227 HydrophobicContact CD2-CD2 4.26Å; L223-Y227 HydrophobicContact CD2-CE2 3.86Å; L223-Y227 WeakPolarHBondContact O-CB 3.36Å; L223-Y227 VanDerWaalsContact O-CD2 3.32Å; L223-Y227 WeakPolarHBondContact O-CD2 3.3Å; L223-Y227 PolarHBondContact O-N 3Å; Y227-W229 HydrophobicContact CD1-CH2 4.19Å; Y227-W229 AromaticContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD1-CZ2 3.85Å; Y227-W229 PolarHBondContact O-N 3.27Å; Y227-W229 PolarHBondContact O-NE1 3.26Å
228E94.9Very high95.7Very high131 Ų13155 Ų5561%0.61226%0.264SS*.  trans53.425.5-177.2-57.9-173.913000113.6K46 L224K46-E228 VanDerWaalsContact NZ-CG 3.3Å; K46-E228 IonicContact NZ-OE1 3.66Å; K46-E228 PolarHBondContact NZ-OE1 3.34Å; K46-E228 IonicContact NZ-OE2 3.78Å; L224-E228 WeakPolarHBondContact O-CA 3.47Å; L224-E228 PolarHBondContact O-N 3.25Å; L224-E228 VanDerWaalsContact O-N 3.08Å
229W95.7Very high95.8Very high92 Ų9261.4 Ų61.435%0.34829%0.291SS..  trans-80.6151.7177.9-68-3.9000111.1L208 Y227 E231 L233 L234 E237L208-W229 HydrophobicContact CD2-CZ3 4.47Å; Y227-W229 HydrophobicContact CD1-CH2 4.19Å; Y227-W229 AromaticContact CD1-CZ2 3.85Å; Y227-W229 HydrophobicContact CD1-CZ2 3.85Å; Y227-W229 PolarHBondContact O-N 3.27Å; Y227-W229 PolarHBondContact O-NE1 3.26Å; W229-E231 PolarHBondContact O-N 2.83Å; W229-L233 HydrophobicContact CB-CD2 4.36Å; W229-L233 HydrophobicContact CD2-CD2 4.28Å; W229-L233 HydrophobicContact CE3-CD2 4.44Å; W229-L233 HydrophobicContact CE3-CG 4.35Å; W229-L233 HydrophobicContact CG-CD2 4.24Å; W229-L234 HydrophobicContact CE3-CD1 4.17Å; W229-E237 HydrophobicContact CZ3-CB 4.28Å; W229-E237 HydrophobicContact CZ3-CG 3.91Å
230P96.6Very high96Very high92 Ų9266 Ų6660%0.59731%0.311SS*.  trans-55134.2166.1-23.333.4000110.3K232 L233 L234P230-K232 PolarHBondContact O-N 3.32Å; P230-L233 HydrophobicContact CB-CB 4.49Å; P230-L233 WeakPolarHBondContact O-CA 3.06Å; P230-L233 WeakPolarHBondContact O-CB 3.27Å; P230-L233 PolarHBondContact O-N 3.14Å; P230-L234 PolarHBondContact O-N 2.91Å; P230-L234 VanDerWaalsContact O-N 3.12Å
231E96Very high96.2Very high119 Ų11965.5 Ų65.556%0.55631%0.308SS*.Hα-helixtrans-53.8-35.4-175-168.5-167.515200113.1M220 L224 W229 L233 L234 N235M220-E231 HydrophobicContact CE-CG 3.54Å; L224-E231 HydrophobicContact CD1-CG 4.4Å; L224-E231 HydrophobicContact CD2-CB 4.14Å; L224-E231 HydrophobicContact CD2-CG 4.26Å; W229-E231 PolarHBondContact O-N 2.83Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 2.79Å; E231-L234 PolarHBondContact O-N 2.84Å; E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 2.78Å; E231-N235 PolarHBondContact O-ND2 2.86Å
232K96.6Very high96.4Very high188 Ų18863 Ų6382%0.81730%0.303SS*.Hα-helixtrans-62.4-39.2175.6-64.8-176-178.6176.90112.7P230 K236P230-K232 PolarHBondContact O-N 3.32Å; K232-K236 PolarHBondContact O-N 3.07Å; K232-K236 VanDerWaalsContact O-N 3.17Å
233L97.2Very high96.5Very high74 Ų7469.7 Ų69.739%0.38734%0.337SS..Hα-helixtrans-70.5-46.7178.4178.862.2000110.4W229 P230 E231 N235 K236 E237W229-L233 HydrophobicContact CB-CD2 4.36Å; W229-L233 HydrophobicContact CD2-CD2 4.28Å; W229-L233 HydrophobicContact CE3-CD2 4.44Å; W229-L233 HydrophobicContact CE3-CG 4.35Å; W229-L233 HydrophobicContact CG-CD2 4.24Å; P230-L233 HydrophobicContact CB-CB 4.49Å; P230-L233 WeakPolarHBondContact O-CA 3.06Å; P230-L233 WeakPolarHBondContact O-CB 3.27Å; P230-L233 PolarHBondContact O-N 3.14Å; E231-L233 VanDerWaalsContact C-N 3.34Å; E231-L233 PolarHBondContact O-N 2.79Å; L233-N235 VanDerWaalsContact C-N 3.34Å; L233-N235 PolarHBondContact O-N 2.85Å; L233-K236 WeakPolarHBondContact O-CB 3.35Å; L233-K236 PolarHBondContact O-N 3.16Å; L233-E237 PolarHBondContact O-N 3.1Å
234L96.8Very high96.5Very high0 Ų074 Ų740%036%0.357CS..Hα-helixtrans-58.9-46.2177.5-178.560000111.4L208 M220 L223 L224 W229 P230 E231 K236 E237 L238L208-L234 HydrophobicContact CD1-CD1 4.08Å; L208-L234 HydrophobicContact CD2-CD1 3.93Å; M220-L234 HydrophobicContact CE-CB 4.34Å; M220-L234 HydrophobicContact CE-CD2 3.72Å; M220-L234 HydrophobicContact CE-CG 4.09Å; M220-L234 HydrophobicContact SD-CD2 3.89Å; M220-L234 HydrophobicContact SD-CG 4.36Å; L223-L234 HydrophobicContact CB-CD1 4.3Å; L223-L234 HydrophobicContact CB-CD2 3.7Å; L224-L234 HydrophobicContact CD2-CD2 3.63Å; L224-L234 HydrophobicContact CG-CD2 3.77Å; W229-L234 HydrophobicContact CE3-CD1 4.17Å; P230-L234 PolarHBondContact O-N 2.91Å; P230-L234 VanDerWaalsContact O-N 3.12Å; E231-L234 PolarHBondContact O-N 2.84Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.43Å; L234-E237 PolarHBondContact O-N 3.3Å; L234-L238 HydrophobicContact CD1-CD1 4.15Å; L234-L238 HydrophobicContact CD1-CG 4.31Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.46Å; L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.84Å
235N96.6Very high96.4Very high34 Ų3478.7 Ų78.718%0.18238%0.378CS..Hα-helixtrans-58.2-36.9174.5-87.9-60000113.2E231 L233 K239E231-N235 WeakPolarHBondContact O-CB 3.49Å; E231-N235 PolarHBondContact O-N 2.78Å; E231-N235 PolarHBondContact O-ND2 2.86Å; L233-N235 VanDerWaalsContact C-N 3.34Å; L233-N235 PolarHBondContact O-N 2.85Å; N235-K239 WeakPolarHBondContact O-CB 3.38Å; N235-K239 VanDerWaalsContact O-CG 3.22Å; N235-K239 WeakPolarHBondContact O-CG 3.47Å; N235-K239 PolarHBondContact O-N 2.72Å
236K97Very high96.4Very high140 Ų14079.6 Ų79.661%0.60938%0.379SS*.Hα-helixtrans-66-45.3176.9-176.3-175.3175.5-174.50111.3K232 L233 L234 K239 K240K232-K236 PolarHBondContact O-N 3.07Å; K232-K236 VanDerWaalsContact O-N 3.17Å; L233-K236 WeakPolarHBondContact O-CB 3.35Å; L233-K236 PolarHBondContact O-N 3.16Å; L234-K236 VanDerWaalsContact C-N 3.27Å; L234-K236 PolarHBondContact O-N 3.43Å; K236-K239 PolarHBondContact O-N 3.01Å; K236-K240 PolarHBondContact O-N 3.28Å
237E97.4Very high96.4Very high54 Ų5479.5 Ų79.525%0.25238%0.378SS..Hα-helixtrans-67-39.4178-68.5-55.1127.100112L208 W229 L233 L234 K240 L241L208-E237 HydrophobicContact CD2-CB 3.79Å; W229-E237 HydrophobicContact CZ3-CB 4.28Å; W229-E237 HydrophobicContact CZ3-CG 3.91Å; L233-E237 PolarHBondContact O-N 3.1Å; L234-E237 PolarHBondContact O-N 3.3Å; E237-K240 WeakPolarHBondContact O-CB 3.33Å; E237-K240 PolarHBondContact O-N 2.96Å; E237-L241 WeakPolarHBondContact O-CG 3.19Å; E237-L241 PolarHBondContact O-N 3.34Å
238L97.2Very high96.4Very high0 Ų083 Ų830%040%0.395CS..Hα-helixtrans-63-43.8174.2-70.5164.9000112.1L208 I212 M220 L223 L234 K240 L241 A242 I247 W258L208-L238 HydrophobicContact CD2-CD2 4.06Å; L208-L238 HydrophobicContact CD2-CG 4.21Å; I212-L238 HydrophobicContact CD1-CD2 3.72Å; M220-L238 HydrophobicContact SD-CD1 3.85Å; L223-L238 HydrophobicContact CD1-CD1 4.17Å; L223-L238 HydrophobicContact CD1-CD2 3.88Å; L234-L238 HydrophobicContact CD1-CD1 4.15Å; L234-L238 HydrophobicContact CD1-CG 4.31Å; L234-L238 HydrophobicContact CG-CD1 3.84Å; L234-L238 HydrophobicContact CG-CG 4.46Å; L234-L238 WeakPolarHBondContact O-CB 3.36Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.84Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 3.4Å; L238-L241 PolarHBondContact O-N 2.94Å; L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.39Å; L238-I247 HydrophobicContact CB-CD1 4.42Å; L238-I247 HydrophobicContact CD2-CD1 3.71Å; L238-W258 HydrophobicContact CB-CD2 4.37Å; L238-W258 HydrophobicContact CB-CE3 4.4Å; L238-W258 HydrophobicContact CB-CH2 3.72Å; L238-W258 HydrophobicContact CB-CZ2 3.72Å; L238-W258 HydrophobicContact CB-CZ3 4.08Å; L238-W258 HydrophobicContact CD1-CD2 4.32Å; L238-W258 HydrophobicContact CD1-CZ2 3.83Å; L238-W258 HydrophobicContact CD2-CD2 3.9Å; L238-W258 HydrophobicContact CD2-CE3 4.32Å; L238-W258 HydrophobicContact CD2-CG 3.99Å; L238-W258 HydrophobicContact CG-CD2 4.43Å; L238-W258 HydrophobicContact CG-CZ2 4.26Å
239K96.3Very high96.3Very high134 Ų13480.7 Ų80.758%0.58338%0.383SS*.Hα-helixtrans-59-41173.9-76.6173.3-176.2-177.80111.9N235 K236 A242 I243N235-K239 WeakPolarHBondContact O-CB 3.38Å; N235-K239 VanDerWaalsContact O-CG 3.22Å; N235-K239 WeakPolarHBondContact O-CG 3.47Å; N235-K239 PolarHBondContact O-N 2.72Å; K236-K239 PolarHBondContact O-N 3.01Å; K239-A242 PolarHBondContact O-N 3.37Å; K239-I243 VanDerWaalsContact O-CG1 3.29Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.89Å
240K97.6Very high96.1Very high108 Ų10878.1 Ų78.147%0.4738%0.376SS..Hα-helixtrans-61.5-46.3176.7-179.9-177.7173.7-171.30111.6K236 E237 L238 A242 I243 Q244K236-K240 PolarHBondContact O-N 3.28Å; E237-K240 WeakPolarHBondContact O-CB 3.33Å; E237-K240 PolarHBondContact O-N 2.96Å; L238-K240 VanDerWaalsContact C-N 3.29Å; L238-K240 PolarHBondContact O-N 3.4Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.49Å; K240-I243 PolarHBondContact O-N 3.14Å; K240-Q244 WeakPolarHBondContact O-CG 3.41Å; K240-Q244 PolarHBondContact O-N 2.9Å; K240-Q244 VanDerWaalsContact O-N 3.14Å
241L97Very high95.7Very high12 Ų1282 Ų826%0.06338%0.383CS..Hα-helixtrans-64.8-36176.4-67.4177.1000112.5L208 E209 I212 E237 L238 Q244 Q245 K246 I247L208-L241 HydrophobicContact CD2-CD1 4.05Å; L208-L241 HydrophobicContact CG-CD1 4.04Å; E209-L241 HydrophobicContact CB-CD1 4.24Å; E209-L241 HydrophobicContact CB-CD2 3.93Å; E209-L241 HydrophobicContact CG-CD2 4.1Å; I212-L241 HydrophobicContact CD1-CD1 4.24Å; E237-L241 WeakPolarHBondContact O-CG 3.19Å; E237-L241 PolarHBondContact O-N 3.34Å; L238-L241 PolarHBondContact O-N 2.94Å; L241-Q244 PolarHBondContact O-N 3.29Å; L241-Q245 PolarHBondContact O-N 3Å; L241-K246 HydrophobicContact CD2-CD 4.01Å; L241-K246 PolarHBondContact O-N 3.07Å; L241-I247 HydrophobicContact CB-CD1 3.64Å; L241-I247 HydrophobicContact CB-CG1 3.78Å; L241-I247 HydrophobicContact CB-CG2 4.41Å; L241-I247 HydrophobicContact CD1-CD1 4.28Å
242A96Very high95.2Very high36 Ų3677.9 Ų77.930%0.29836%0.363SS..Hα-helixtrans-66.7-42.2176.600000112.3L238 K239 K240 Q244 Q245 I247 W258L238-A242 WeakPolarHBondContact O-CB 3.47Å; L238-A242 PolarHBondContact O-N 3.39Å; K239-A242 PolarHBondContact O-N 3.37Å; K240-A242 VanDerWaalsContact C-N 3.33Å; K240-A242 PolarHBondContact O-N 3.49Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.93Å; A242-Q245 WeakPolarHBondContact O-CA 3.4Å; A242-Q245 PolarHBondContact O-N 3.15Å; A242-I247 HydrophobicContact CB-CG1 4.18Å; A242-W258 HydrophobicContact CB-CZ3 4.22Å
243I96.3Very high94.5Very high144 Ų14473.7 Ų73.774%0.73836%0.355SS*.Hα-helixtrans-61.9-36.9174.7-68.6164.1000110.9K239 K240 Q245K239-I243 VanDerWaalsContact O-CG1 3.29Å; K239-I243 WeakPolarHBondContact O-CG1 3.27Å; K239-I243 PolarHBondContact O-N 2.89Å; K240-I243 PolarHBondContact O-N 3.14Å; I243-Q245 PolarHBondContact O-N 3.11Å
244Q96.4Very high93.7Very high90 Ų9074.2 Ų74.242%0.42136%0.358SS..THydrogen-bonded Turntrans-73.53.9174.2-66.5176.4-2.500113.6K240 L241 A242 K246K240-Q244 WeakPolarHBondContact O-CG 3.41Å; K240-Q244 PolarHBondContact O-N 2.9Å; K240-Q244 VanDerWaalsContact O-N 3.14Å; L241-Q244 PolarHBondContact O-N 3.29Å; A242-Q244 VanDerWaalsContact C-N 3.26Å; A242-Q244 PolarHBondContact O-N 2.93Å; Q244-K246 HydrophobicContact CB-CD 4.2Å; Q244-K246 HydrophobicContact CB-CG 3.94Å; Q244-K246 PolarHBondContact O-N 3.32Å; Q244-K246 VanDerWaalsContact O-N 3.14Å; Q244-K246 VanDerWaalsContact OE1-CE 3.3Å
245Q94.8Very high93Very high151 Ų15175.7 Ų75.771%0.70637%0.373SS*.THydrogen-bonded Turntrans57.323.1-177.4-55.3-175.2-5.800114.3L241 A242 I243 K261L241-Q245 PolarHBondContact O-N 3Å; A242-Q245 WeakPolarHBondContact O-CA 3.4Å; A242-Q245 PolarHBondContact O-N 3.15Å; I243-Q245 PolarHBondContact O-N 3.11Å; Q245-K261 WeakPolarHBondContact O-CB 3.21Å; Q245-K261 WeakPolarHBondContact O-CD 3.22Å
246K95.3Very high92.7Very high55 Ų5576.6 Ų76.624%0.23938%0.378CS..SBendtrans-83.4-29179.6-65.2-172.4179.1-168.70112.4E209 L241 Q244 K261 M262E209-K246 VanDerWaalsContact CD-CD 3.47Å; E209-K246 HydrophobicContact CG-CD 4.09Å; E209-K246 WeakPolarHBondContact OE1-CD 3.5Å; E209-K246 WeakPolarHBondContact OE1-CE 3.48Å; E209-K246 IonicContact OE1-NZ 2.72Å; E209-K246 PolarHBondContact OE1-NZ 3.34Å; E209-K246 IonicContact OE2-NZ 2.71Å; E209-K246 PolarHBondContact OE2-NZ 3.04Å; L241-K246 HydrophobicContact CD2-CD 4.01Å; L241-K246 PolarHBondContact O-N 3.07Å; Q244-K246 HydrophobicContact CB-CD 4.2Å; Q244-K246 HydrophobicContact CB-CG 3.94Å; Q244-K246 PolarHBondContact O-N 3.32Å; Q244-K246 VanDerWaalsContact O-N 3.14Å; Q244-K246 VanDerWaalsContact OE1-CE 3.3Å; K246-K261 PolarHBondContact O-N 3.36Å; K246-M262 HydrophobicContact CB-CE 3.87Å; K246-M262 HydrophobicContact CB-CG 4.35Å; K246-M262 HydrophobicContact CB-SD 3.82Å; K246-M262 HydrophobicContact CD-SD 4.01Å; K246-M262 HydrophobicContact CG-SD 3.94Å
247I96.6Very high92.5Very high3 Ų370.2 Ų70.22%0.01535%0.35CS..EExtended strand (participates in β ladder)trans-135.6161.3179.769.5177000110.7I212 L238 L241 A242 W258 K259I212-I247 HydrophobicContact CB-CG2 4.37Å; I212-I247 HydrophobicContact CD1-CD1 4.19Å; I212-I247 HydrophobicContact CD1-CG2 4.26Å; I212-I247 HydrophobicContact CG2-CG2 3.69Å; L238-I247 HydrophobicContact CB-CD1 4.42Å; L238-I247 HydrophobicContact CD2-CD1 3.71Å; L241-I247 HydrophobicContact CB-CD1 3.64Å; L241-I247 HydrophobicContact CB-CG1 3.78Å; L241-I247 HydrophobicContact CB-CG2 4.41Å; L241-I247 HydrophobicContact CD1-CD1 4.28Å; A242-I247 HydrophobicContact CB-CG1 4.18Å; I247-W258 HydrophobicContact CD1-CD2 4.14Å; I247-W258 HydrophobicContact CD1-CE3 3.41Å; I247-W258 VanDerWaalsContact CD1-CE3 3.41Å; I247-W258 HydrophobicContact CD1-CZ3 3.91Å; I247-W258 HydrophobicContact CG1-CE3 3.96Å; I247-W258 HydrophobicContact CG1-CZ3 4.36Å; I247-K259 CarbonylContact C-O 3.51Å; I247-K259 WeakPolarHBondContact CA-O 3.46Å; I247-K259 WeakPolarHBondContact CB-O 3.31Å
248E95.4Very high92.3Very high86 Ų8668 Ų6840%0.40234%0.339SS..EExtended strand (participates in β ladder)trans-124138.2174.9-168.7167.9163.400110.2L250 W258 K259 K261E248-L250 HydrophobicContact CG-CD2 4.36Å; E248-W258 CarbonylContact O-C 3.51Å; E248-W258 WeakPolarHBondContact O-CA 3.36Å; E248-K259 PolarHBondContact N-O 2.85Å; E248-K259 PolarHBondContact O-N 3.36Å; E248-K261 HydrophobicContact CB-CG 4.43Å; E248-K261 WeakPolarHBondContact OE2-CE 3.13Å; E248-K261 IonicContact OE2-NZ 3.55Å
249K94.8Very high92.1Very high83 Ų8371.9 Ų71.936%0.36136%0.356SS..EExtended strand (participates in β ladder)trans-88123.9173.6-170.2176-178.6169.10109.8D256 F257 W258K249-D256 WeakPolarHBondContact CE-OD1 3.35Å; K249-D256 WeakPolarHBondContact CE-OD2 3.35Å; K249-D256 IonicContact NZ-OD1 3.43Å; K249-D256 PolarHBondContact NZ-OD1 2.86Å; K249-D256 IonicContact NZ-OD2 2.65Å; K249-D256 PolarHBondContact NZ-OD2 3.06Å; K249-F257 WeakPolarHBondContact CA-O 3.42Å; K249-W258 HydrophobicContact CB-CD2 4.47Å; K249-W258 HydrophobicContact CB-CE3 3.87Å; K249-W258 HydrophobicContact CB-CH2 3.95Å; K249-W258 HydrophobicContact CB-CZ2 4.48Å; K249-W258 HydrophobicContact CB-CZ3 3.6Å; K249-W258 HydrophobicContact CD-CH2 3.72Å; K249-W258 HydrophobicContact CD-CZ2 3.83Å; K249-W258 HydrophobicContact CD-CZ3 4.28Å; K249-W258 HydrophobicContact CG-CD2 4.41Å; K249-W258 HydrophobicContact CG-CE3 4.27Å; K249-W258 HydrophobicContact CG-CH2 3.94Å; K249-W258 HydrophobicContact CG-CZ2 4.03Å; K249-W258 HydrophobicContact CG-CZ3 4.05Å
250L90.6Very high91.9Very high37 Ų3765.9 Ų65.919%0.19433%0.331CS..EExtended strand (participates in β ladder)trans-108.9137.3172.1-56.2177.6000108.8L217 E248 Y252 F257 K259L217-L250 HydrophobicContact CD1-CD1 4.07Å; E248-L250 HydrophobicContact CG-CD2 4.36Å; L250-Y252 HydrophobicContact CB-CD1 4.41Å; L250-Y252 HydrophobicContact CB-CE1 3.83Å; L250-Y252 HydrophobicContact CD1-CE1 4.33Å; L250-F257 HydrophobicContact CB-CB 4.09Å; L250-F257 PolarHBondContact N-O 2.9Å; L250-F257 PolarHBondContact O-N 3.43Å; L250-K259 HydrophobicContact CD1-CB 3.96Å; L250-K259 HydrophobicContact CD1-CD 4.22Å; L250-K259 HydrophobicContact CG-CB 4.4Å
251K87.6Confident91.6Very high173 Ų17366.2 Ų66.275%0.75233%0.332SS*.EExtended strand (participates in β ladder)trans-105.7112.3178.1-70.8-171.5174.5-174.30109.5
252Y86.3Confident91.2Very high34 Ų3467 Ų6713%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-108.3161.1175.6-65-7.5000110.1N106 E107 P110 K111 L250 D254 G255 F257N106-Y252 WeakPolarHBondContact O-CE2 3.26Å; E107-Y252 PolarHBondContact OE1-OH 2.52Å; P110-Y252 HydrophobicContact CB-CD2 4.07Å; P110-Y252 HydrophobicContact CG-CD2 4.45Å; K111-Y252 HydrophobicContact CD-CE2 4.49Å; K111-Y252 VanDerWaalsContact CE-OH 3.27Å; K111-Y252 WeakPolarHBondContact CE-OH 3.33Å; K111-Y252 HydrophobicContact CG-CD1 4.43Å; K111-Y252 HydrophobicContact CG-CD2 4.13Å; K111-Y252 HydrophobicContact CG-CE2 4.39Å; K111-Y252 HydrophobicContact CG-CG 4.16Å; K111-Y252 PolarHBondContact NZ-OH 3.18Å; K111-Y252 VanDerWaalsContact NZ-OH 3.11Å; L250-Y252 HydrophobicContact CB-CD1 4.41Å; L250-Y252 HydrophobicContact CB-CE1 3.83Å; L250-Y252 HydrophobicContact CD1-CE1 4.33Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 3.16Å; Y252-G255 PolarHBondContact N-O 3.34Å; Y252-G255 PolarHBondContact O-N 3.07Å; Y252-G255 VanDerWaalsContact O-N 3.17Å; Y252-G255 VanDerWaalsContact O-O 3.07Å; Y252-F257 HydrophobicContact CD2-CB 4.4Å; Y252-F257 AromaticContact CD2-CD1 3.96Å; Y252-F257 HydrophobicContact CD2-CD1 3.96Å; Y252-F257 AromaticContact CD2-CD2 3.29Å; Y252-F257 HydrophobicContact CD2-CD2 3.29Å; Y252-F257 HydrophobicContact CD2-CE1 4.05Å; Y252-F257 AromaticContact CD2-CE2 3.48Å; Y252-F257 HydrophobicContact CD2-CE2 3.48Å; Y252-F257 VanDerWaalsContact CD2-CE2 3.48Å; Y252-F257 AromaticContact CD2-CG 3.61Å; Y252-F257 HydrophobicContact CD2-CG 3.61Å; Y252-F257 AromaticContact CD2-CZ 3.89Å; Y252-F257 HydrophobicContact CD2-CZ 3.89Å; Y252-F257 HydrophobicContact CE2-CB 4.36Å; Y252-F257 AromaticContact CE2-CD1 3.94Å; Y252-F257 HydrophobicContact CE2-CD1 3.94Å; Y252-F257 HydrophobicContact CE2-CD2 4Å; Y252-F257 HydrophobicContact CE2-CE1 4.26Å; Y252-F257 HydrophobicContact CE2-CE2 4.4Å; Y252-F257 AromaticContact CE2-CG 3.82Å; Y252-F257 HydrophobicContact CE2-CG 3.82Å; Y252-F257 AromaticContact CG-CD2 3.67Å; Y252-F257 HydrophobicContact CG-CD2 3.67Å; Y252-F257 HydrophobicContact CG-CE2 4.01Å; Y252-F257 HydrophobicContact CG-CG 4.28Å
253P81.9Confident90.3Very high99 Ų9970.5 Ų70.564%0.64336%0.356SS*.THydrogen-bonded Turntrans-53.9-42.2-179.3-27.633.9000114.2P110P110-P253 WeakPolarHBondContact O-CB 3.27Å; P110-P253 WeakPolarHBondContact O-CD 3.44Å
254D80.5Confident89Confident86 Ų8666.3 Ų66.346%0.4633%0.332SS..THydrogen-bonded Turntrans-93.810.6-178-63-24.2000113.5P110 R112 Y252P110-D254 HydrophobicContact CB-CB 4.09Å; R112-D254 IonicContact CZ-OD1 3.6Å; R112-D254 IonicContact NE-OD1 2.72Å; R112-D254 IonicContact NE-OD2 3.31Å; R112-D254 IonicContact NH2-OD1 3.78Å; R112-D254 PolarHBondContact NH2-OD1 3.04Å; R112-D254 IonicContact NH2-OD2 3.87Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 3.16Å
255G82.6Confident87.8Confident30 Ų3065.2 Ų65.231%0.30933%0.329SS..EExtended strand (participates in β ladder)trans150.5-177.1171.500000116.8Y252 F257Y252-G255 PolarHBondContact N-O 3.34Å; Y252-G255 PolarHBondContact O-N 3.07Å; Y252-G255 VanDerWaalsContact O-N 3.17Å; Y252-G255 VanDerWaalsContact O-O 3.07Å; G255-F257 WeakPolarHBondContact O-CD2 3.47Å
256D89.1Confident85.9Confident54 Ų5467.2 Ų67.229%0.28934%0.335SS..EExtended strand (participates in β ladder)trans-88.2134.4177-73.1-37000111.6M220 K249M220-D256 PolarHBondContact N-O 2.98Å; M220-D256 VanDerWaalsContact N-O 3.16Å; K249-D256 WeakPolarHBondContact CE-OD1 3.35Å; K249-D256 WeakPolarHBondContact CE-OD2 3.35Å; K249-D256 IonicContact NZ-OD1 3.43Å; K249-D256 PolarHBondContact NZ-OD1 2.86Å; K249-D256 IonicContact NZ-OD2 2.65Å; K249-D256 PolarHBondContact NZ-OD2 3.06Å
257F92.2Very high83.9Confident5 Ų568.1 Ų68.12%0.02235%0.348CS..EExtended strand (participates in β ladder)trans-119.5152.9179.5-74.6-107.8000110.5F38 N106 P110 L217 V218 T219 K249 L250 Y252 G255F38-F257 HydrophobicContact CZ-CZ 4.33Å; N106-F257 HydrophobicContact CB-CD1 4.41Å; N106-F257 HydrophobicContact CB-CE1 3.92Å; P110-F257 HydrophobicContact CB-CE2 3.81Å; P110-F257 HydrophobicContact CB-CZ 3.68Å; P110-F257 HydrophobicContact CG-CE1 3.96Å; P110-F257 HydrophobicContact CG-CE2 3.9Å; P110-F257 HydrophobicContact CG-CZ 3.22Å; L217-F257 HydrophobicContact CD1-CB 4.12Å; L217-F257 HydrophobicContact CD1-CD1 4.28Å; L217-F257 HydrophobicContact CG-CD1 4.27Å; V218-F257 WeakPolarHBondContact O-CA 3.33Å; T219-F257 HydrophobicContact CG2-CD1 3.82Å; T219-F257 HydrophobicContact CG2-CE1 3.15Å; T219-F257 HydrophobicContact CG2-CE2 4.41Å; T219-F257 HydrophobicContact CG2-CZ 3.44Å; T219-F257 VanDerWaalsContact CG2-CZ 3.44Å; K249-F257 WeakPolarHBondContact CA-O 3.42Å; L250-F257 HydrophobicContact CB-CB 4.09Å; L250-F257 PolarHBondContact N-O 2.9Å; L250-F257 PolarHBondContact O-N 3.43Å; Y252-F257 HydrophobicContact CD2-CB 4.4Å; Y252-F257 AromaticContact CD2-CD1 3.96Å; Y252-F257 HydrophobicContact CD2-CD1 3.96Å; Y252-F257 AromaticContact CD2-CD2 3.29Å; Y252-F257 HydrophobicContact CD2-CD2 3.29Å; Y252-F257 HydrophobicContact CD2-CE1 4.05Å; Y252-F257 AromaticContact CD2-CE2 3.48Å; Y252-F257 HydrophobicContact CD2-CE2 3.48Å; Y252-F257 VanDerWaalsContact CD2-CE2 3.48Å; Y252-F257 AromaticContact CD2-CG 3.61Å; Y252-F257 HydrophobicContact CD2-CG 3.61Å; Y252-F257 AromaticContact CD2-CZ 3.89Å; Y252-F257 HydrophobicContact CD2-CZ 3.89Å; Y252-F257 HydrophobicContact CE2-CB 4.36Å; Y252-F257 AromaticContact CE2-CD1 3.94Å; Y252-F257 HydrophobicContact CE2-CD1 3.94Å; Y252-F257 HydrophobicContact CE2-CD2 4Å; Y252-F257 HydrophobicContact CE2-CE1 4.26Å; Y252-F257 HydrophobicContact CE2-CE2 4.4Å; Y252-F257 AromaticContact CE2-CG 3.82Å; Y252-F257 HydrophobicContact CE2-CG 3.82Å; Y252-F257 AromaticContact CG-CD2 3.67Å; Y252-F257 HydrophobicContact CG-CD2 3.67Å; Y252-F257 HydrophobicContact CG-CE2 4.01Å; Y252-F257 HydrophobicContact CG-CG 4.28Å; G255-F257 WeakPolarHBondContact O-CD2 3.47Å
258W93.8Very high80.9Confident8 Ų881.3 Ų81.33%0.0341%0.405CS..EExtended strand (participates in β ladder)trans-127.8113.3180-60.390.9000110.1V218 L238 A242 I247 E248 K249V218-W258 HydrophobicContact CG2-CB 4.06Å; V218-W258 PolarHBondContact N-O 3.11Å; V218-W258 VanDerWaalsContact N-O 3.08Å; V218-W258 PolarHBondContact O-N 3.41Å; L238-W258 HydrophobicContact CB-CD2 4.37Å; L238-W258 HydrophobicContact CB-CE3 4.4Å; L238-W258 HydrophobicContact CB-CH2 3.72Å; L238-W258 HydrophobicContact CB-CZ2 3.72Å; L238-W258 HydrophobicContact CB-CZ3 4.08Å; L238-W258 HydrophobicContact CD1-CD2 4.32Å; L238-W258 HydrophobicContact CD1-CZ2 3.83Å; L238-W258 HydrophobicContact CD2-CD2 3.9Å; L238-W258 HydrophobicContact CD2-CE3 4.32Å; L238-W258 HydrophobicContact CD2-CG 3.99Å; L238-W258 HydrophobicContact CG-CD2 4.43Å; L238-W258 HydrophobicContact CG-CZ2 4.26Å; A242-W258 HydrophobicContact CB-CZ3 4.22Å; I247-W258 HydrophobicContact CD1-CD2 4.14Å; I247-W258 HydrophobicContact CD1-CE3 3.41Å; I247-W258 VanDerWaalsContact CD1-CE3 3.41Å; I247-W258 HydrophobicContact CD1-CZ3 3.91Å; I247-W258 HydrophobicContact CG1-CE3 3.96Å; I247-W258 HydrophobicContact CG1-CZ3 4.36Å; E248-W258 CarbonylContact O-C 3.51Å; E248-W258 WeakPolarHBondContact O-CA 3.36Å; K249-W258 HydrophobicContact CB-CD2 4.47Å; K249-W258 HydrophobicContact CB-CE3 3.87Å; K249-W258 HydrophobicContact CB-CH2 3.95Å; K249-W258 HydrophobicContact CB-CZ2 4.48Å; K249-W258 HydrophobicContact CB-CZ3 3.6Å; K249-W258 HydrophobicContact CD-CH2 3.72Å; K249-W258 HydrophobicContact CD-CZ2 3.83Å; K249-W258 HydrophobicContact CD-CZ3 4.28Å; K249-W258 HydrophobicContact CG-CD2 4.41Å; K249-W258 HydrophobicContact CG-CE3 4.27Å; K249-W258 HydrophobicContact CG-CH2 3.94Å; K249-W258 HydrophobicContact CG-CZ2 4.03Å; K249-W258 HydrophobicContact CG-CZ3 4.05Å
259K93.1Very high80.2Confident82 Ų8281.1 Ų81.136%0.35741%0.405SS..EExtended strand (participates in β ladder)trans-96.5136.7178.7-172.4174.6-179.8175.20110.2Q216 L217 I247 E248 L250Q216-K259 CarbonylContact O-C 3.54Å; Q216-K259 VanDerWaalsContact O-CA 3.31Å; Q216-K259 WeakPolarHBondContact O-CA 3.41Å; L217-K259 HydrophobicContact CD1-CB 3.99Å; I247-K259 CarbonylContact C-O 3.51Å; I247-K259 WeakPolarHBondContact CA-O 3.46Å; I247-K259 WeakPolarHBondContact CB-O 3.31Å; E248-K259 PolarHBondContact N-O 2.85Å; E248-K259 PolarHBondContact O-N 3.36Å; L250-K259 HydrophobicContact CD1-CB 3.96Å; L250-K259 HydrophobicContact CD1-CD 4.22Å; L250-K259 HydrophobicContact CG-CB 4.4Å
260S92.9Very high79.4Confident7 Ų780.9 Ų80.95%0.04941%0.408CS..EExtended strand (participates in β ladder)trans-72.9137172.4-1630000110.9Q216 M262Q216-S260 PolarHBondContact O-N 3.28Å; S260-M262 PolarHBondContact OG-N 3.18Å
261K91.4Very high78.8Confident115 Ų11583.4 Ų83.450%0.542%0.42SS..  trans-94.9-5166.6-65.1-165.5175.8-164.80112.5Q245 K246 E248Q245-K261 WeakPolarHBondContact O-CB 3.21Å; Q245-K261 WeakPolarHBondContact O-CD 3.22Å; K246-K261 PolarHBondContact O-N 3.36Å; E248-K261 HydrophobicContact CB-CG 4.43Å; E248-K261 WeakPolarHBondContact OE2-CE 3.13Å; E248-K261 IonicContact OE2-NZ 3.55Å
262M87.6Confident78.3Confident28 Ų2878.1 Ų78.114%0.13840%0.4CS..SBendtrans-92.7143.5-175.7-61.9170.5-7000110.2E209 Q213 Q216 K246 S260E209-M262 HydrophobicContact CG-CE 3.77Å; E209-M262 HydrophobicContact CG-SD 4.15Å; Q213-M262 HydrophobicContact CB-CE 3.9Å; Q213-M262 HydrophobicContact CG-CB 4.01Å; Q213-M262 HydrophobicContact CG-CE 4.26Å; Q216-M262 PolarHBondContact NE2-O 3.03Å; K246-M262 HydrophobicContact CB-CE 3.87Å; K246-M262 HydrophobicContact CB-CG 4.35Å; K246-M262 HydrophobicContact CB-SD 3.82Å; K246-M262 HydrophobicContact CD-SD 4.01Å; K246-M262 HydrophobicContact CG-SD 3.94Å; S260-M262 PolarHBondContact OG-N 3.18Å
263P78.2Confident77.8Confident110 Ų11080.9 Ų80.971%0.71442%0.417SS*.PPolyproline II helixtrans-61.6146.417527.3-34000110.1Q213Q213-P263 PolarHBondContact NE2-O 3.33Å
264K69.1Low77.5Confident57 Ų5779.7 Ų79.725%0.24840%0.402CS..PPolyproline II helixtrans-57.9138.6-178.2174.7176.9170.1169.70111.9R99 A127 K266R99-K264 VanDerWaalsContact NH1-NZ 3.13Å; A127-K264 PolarHBondContact O-NZ 2.64Å; K264-K266 PolarHBondContact O-N 3.37Å
265I71.1Confident77.3Confident67 Ų6779.2 Ų79.234%0.34440%0.398SS..PPolyproline II helixtrans-69.9118.6165.2-53.1175.6000107.3T210 Q213 Q214 S267T210-I265 HydrophobicContact CG2-CD1 3.92Å; Q213-I265 HydrophobicContact CG-CD1 4.46Å; Q213-I265 HydrophobicContact CG-CG1 4.07Å; Q214-I265 HydrophobicContact CG-CD1 4.31Å; I265-S267 PolarHBondContact O-N 3.02Å
266K55Low76.9Confident193 Ų19383 Ų8384%0.83940%0.404SS*.  trans-59.8109.4168.7-71.2-175.2178.5-1780107.4K264 K268K264-K266 PolarHBondContact O-N 3.37Å; K266-K268 PolarHBondContact O-N 2.79Å
267S52.4Low75.9Confident73 Ų7385.4 Ų85.451%0.5141%0.414SS..  trans-60.7123.7166.558.50000106.7I265I265-S267 PolarHBondContact O-N 3.02Å
268K33.8Very low74.4Confident280 Ų28092.7 Ų92.7100%1.21745%0.45SS*.  trans-58.50171-76.5-175.1176.5-179.50110.4K266K266-K268 PolarHBondContact O-N 2.79Å

Retrieved 268 of 268 residues in 697.9 ms (Link to these results)

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