A0A060CVP0_MAIZE Loading...

ZF-HD homeobox protein

Putative transcription factor.

AlphaFold DB , UniProt , Accession A0A060CVP0, Species MAIZE (Zea mays, Maize), Gene ZHD15, Length 300 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M59Low50.6Low220 Ų220154.9 Ų154.9100%1.08480%0.803SS**  0940-63166.8-177.500104.6
2M51.2Low49.6Very low164 Ų164147 Ų14781%0.80879%0.788SS**  51.8118.557.6-60.989.5168.300111.1
3D50Low48.6Very low124 Ų124143.6 Ų143.666%0.66379%0.793SS**  cis-155140.2-12.4-95.1-69.1000107
4H59.3Low47.5Very low188 Ų188138.9 Ų138.987%0.8779%0.793SS**  trans-152.868.9167.7-140.2-77.4000110.8S6H4-S6 PolarHBondContact O-N 3.33Å; H4-S6 VanDerWaalsContact O-N 3.08Å
5L54.4Low46.9Very low150 Ų150135.2 Ų135.279%0.78580%0.798SS**  trans-63.1113.2175.9-82.997.1000110.2L7L5-L7 PolarHBondContact O-N 3.19Å
6S48.2Very low46Very low100 Ų100131.8 Ų131.870%0.69980%0.8SS**  trans-67.3109.7178-166.40000110.4H4 V8H4-S6 PolarHBondContact O-N 3.33Å; H4-S6 VanDerWaalsContact O-N 3.08Å; S6-V8 PolarHBondContact O-N 2.77Å
7L48.5Very low45.4Very low173 Ų173127.9 Ų127.991%0.90679%0.792SS**  trans-74.384.1165.7-90.7152.9000108.5L5L5-L7 PolarHBondContact O-N 3.19Å
8V52.3Low45.5Very low112 Ų112126.3 Ų126.368%0.67978%0.778SS**  trans-58.3129.5171.7-167.50000108.3S6 Y10S6-V8 PolarHBondContact O-N 2.77Å; V8-Y10 PolarHBondContact O-N 2.96Å
9P53.7Low45.4Very low103 Ų103125.6 Ų125.667%0.66979%0.786SS**  trans-55.3132.4169.8-22.433.3000109.2D11P9-D11 PolarHBondContact O-N 3.41Å
10Y41.4Very low45.5Very low214 Ų214124.2 Ų124.284%0.83979%0.787SS**  trans-73.69717890.5-75.6000108.9V8 G12V8-Y10 PolarHBondContact O-N 2.96Å; Y10-G12 PolarHBondContact O-N 2.72Å
11D38.7Very low45.6Very low156 Ų156120.3 Ų120.383%0.83477%0.771SS**  trans-73.278.9162.2-88.7-71.1000108.3P9 A13P9-D11 PolarHBondContact O-N 3.41Å; D11-A13 PolarHBondContact O-N 3.19Å
12G37.8Very low45.7Very low60 Ų60110.5 Ų110.562%0.61973%0.726SS**  trans-69.856.6176.700000113.1Y10 G14Y10-G12 PolarHBondContact O-N 2.72Å; G12-G14 PolarHBondContact O-N 3.44Å
13A37.7Very low47.1Very low103 Ų103111 Ų11185%0.85172%0.723SS**  trans-67.6108172.800000110.2D11D11-A13 PolarHBondContact O-N 3.19Å
14G33.4Very low48.8Very low77 Ų77106.5 Ų106.579%0.79470%0.698SS**  trans-165.869.2-173.300000116.1G12G12-G14 PolarHBondContact O-N 3.44Å
15G37.6Very low50.2Low84 Ų84102.7 Ų102.787%0.86668%0.679SS**  trans85.6125.9167.500000114.9
16G32.4Very low51.9Low81 Ų8198.3 Ų98.384%0.83565%0.654SS**  cis117.676.112.600000111.2
17G36.5Very low54Low65 Ų6593.6 Ų93.667%0.6762%0.621SS**  trans79.9119.1-176.500000112.7
18D47.4Very low55.9Low99 Ų9989.5 Ų89.553%0.52960%0.598SS.*  cis-125.592.331-65.3-69.3000112.4A20 G21D18-A20 PolarHBondContact O-N 3.31Å; D18-G21 WeakPolarHBondContact O-CA 3.4Å; D18-G21 PolarHBondContact O-N 3.19Å
19A43.7Very low57.6Low114 Ų11489.8 Ų89.894%0.94259%0.587SS**THydrogen-bonded Turntrans-72.5-11.517100000113.1G21A19-G21 PolarHBondContact O-N 3.47Å
20A46.3Very low59.3Low97 Ų9786.7 Ų86.780%0.80257%0.565SS**THydrogen-bonded Turntrans-84.431.5161.700000111.7D18 G22D18-A20 PolarHBondContact O-N 3.31Å; A20-G22 PolarHBondContact O-N 2.72Å
21G48.9Very low61.4Low43 Ų4379.3 Ų79.344%0.44354%0.538SS..  trans-63.593.1-159.900000114.8D18 A19 K23D18-G21 WeakPolarHBondContact O-CA 3.4Å; D18-G21 PolarHBondContact O-N 3.19Å; A19-G21 PolarHBondContact O-N 3.47Å; G21-K23 PolarHBondContact O-N 3.17Å
22G60.7Low63.6Low14 Ų1472.3 Ų72.314%0.14450%0.502CS..  trans-58.6106.816900000110.4A20 Y24 A69A20-G22 PolarHBondContact O-N 2.72Å; G22-Y24 WeakPolarHBondContact O-CD2 3.42Å; G22-Y24 PolarHBondContact O-N 3.19Å; G22-Y24 VanDerWaalsContact O-N 3.17Å; G22-A69 WeakPolarHBondContact CA-O 3.3Å
23K81Confident65.9Low173 Ų17372.1 Ų72.175%0.75250%0.495SS*.  trans-51.2119.3-178-60.6-176.9179.6-172.20109.9G21 A69G21-K23 PolarHBondContact O-N 3.17Å; K23-A69 HydrophobicContact CB-CB 4.46Å; K23-A69 WeakPolarHBondContact O-CA 3.36Å; K23-A69 WeakPolarHBondContact O-CB 3.46Å; K23-A69 PolarHBondContact O-N 3.35Å
24Y85.9Confident67.9Low31 Ų3169.4 Ų69.412%0.12247%0.472CS..EExtended strand (participates in β ladder)trans-80.4125.6175.4-57.9-103.9000108.1G22 Y46 R63 H66 R68G22-Y24 WeakPolarHBondContact O-CD2 3.42Å; G22-Y24 PolarHBondContact O-N 3.19Å; G22-Y24 VanDerWaalsContact O-N 3.17Å; Y24-Y46 VanDerWaalsContact CB-CB 3.46Å; Y24-Y46 HydrophobicContact CD2-CD1 4.26Å; Y24-Y46 WeakPolarHBondContact O-CB 3.37Å; Y24-Y46 PolarHBondContact O-N 3.48Å; Y24-R63 HydrophobicContact CD1-CB 4.41Å; Y24-R63 VanDerWaalsContact CD1-O 3.27Å; Y24-R63 WeakPolarHBondContact CD1-O 3.4Å; Y24-R63 HydrophobicContact CE1-CB 4.14Å; Y24-R63 HydrophobicContact CE1-CG 4.28Å; Y24-H66 HydrophobicContact CD1-CB 4.43Å; Y24-R68 HydrophobicContact CD1-CB 4.11Å; Y24-R68 HydrophobicContact CD1-CG 4.42Å; Y24-R68 HydrophobicContact CE1-CB 4.31Å; Y24-R68 HydrophobicContact CE1-CG 4.39Å; Y24-R68 PolarHBondContact OH-NH2 3.36Å
25K87.3Confident69.9Low108 Ų10872.9 Ų72.947%0.4747%0.47SS..EExtended strand (participates in β ladder)trans-90-131.4-175.4-59.2-171.5171.5-165.20110.9G44 Y46 H66 R67 A69K25-G44 CarbonylContact C-O 3.49Å; K25-Y46 PolarHBondContact O-N 2.87Å; K25-H66 PolarHBondContact O-ND1 2.93Å; K25-R67 HydrophobicContact CB-CB 4.48Å; K25-R67 PolarHBondContact N-O 3.29Å; K25-A69 HydrophobicContact CD-CB 4.48Å; K25-A69 HydrophobicContact CG-CB 4.24Å
26E90.2Very high72.1Confident57 Ų5772.5 Ų72.527%0.26647%0.466SS..EExtended strand (participates in β ladder)trans-69.1147.3-174.276-73.6179.600113.3M28 C43 G44 H66 R67E26-M28 PolarHBondContact O-N 3.21Å; E26-C43 WeakPolarHBondContact CA-O 3.33Å; E26-G44 PolarHBondContact N-O 3.47Å; E26-H66 VanDerWaalsContact O-CA 3.29Å; E26-H66 WeakPolarHBondContact O-CA 3.39Å; E26-R67 PolarHBondContact O-N 2.83Å; E26-R67 IonicContact OE1-CZ 2.94Å; E26-R67 IonicContact OE1-NE 3.12Å; E26-R67 PolarHBondContact OE1-NE 3.36Å; E26-R67 IonicContact OE1-NH2 2.7Å; E26-R67 PolarHBondContact OE1-NH2 3.37Å; E26-R67 IonicContact OE2-NE 2.69Å
27C92Very high74.5Confident1 Ų170.1 Ų70.11%0.00744%0.441CS..EExtended strand (participates in β ladder)trans-68126170.9-174.10000110.9R29 C43C27-R29 VanDerWaalsContact SG-CB 3.59Å; C27-R29 PolarHBondContact SG-N 2.94Å; C27-C43 PolarHBondContact N-O 2.82Å
28M89.3Confident76.9Confident87 Ų8772.9 Ų72.943%0.42944%0.436SS..  trans-100.417.1177.2-54.1-176.1-63.900112.7E26 F40 F65 R67E26-M28 PolarHBondContact O-N 3.21Å; M28-F40 WeakPolarHBondContact O-CE1 3.45Å; M28-F65 WeakPolarHBondContact CA-O 3.35Å; M28-F65 WeakPolarHBondContact CB-O 3.36Å; M28-F65 PolarHBondContact N-O 3.36Å; M28-R67 HydrophobicContact CE-CB 4.25Å; M28-R67 HydrophobicContact CG-CB 4.34Å; M28-R67 HydrophobicContact SD-CB 3.85Å; M28-R67 HydrophobicContact SD-CG 4.23Å
29R88.6Confident78.5Confident119 Ų11970.2 Ų70.245%0.44943%0.428SS..  trans-79.1135.3172.4-169.4178.7-172.1173.70.1108.9C27 H31 F40 C61 F65C27-R29 VanDerWaalsContact SG-CB 3.59Å; C27-R29 PolarHBondContact SG-N 2.94Å; R29-H31 PolarHBondContact O-CD2 3.37Å; R29-H31 VanDerWaalsContact O-CD2 3.28Å; R29-H31 PolarHBondContact O-N 3.31Å; R29-F40 WeakPolarHBondContact O-CD1 3.19Å; R29-C61 WeakPolarHBondContact CD-SG 3.38Å; R29-C61 PolarHBondContact NH1-SG 3.47Å; R29-C61 VanDerWaalsContact NH1-SG 3.41Å; R29-F65 HydrophobicContact CB-CB 4.47Å; R29-F65 HydrophobicContact CB-CD1 4.29Å; R29-F65 HydrophobicContact CB-CG 4.5Å
30N89.2Confident80.2Confident37 Ų3770.8 Ų70.820%0.19841%0.41CS..BIsolated β-bridgetrans-78.9110.1165.3178.37.5000108.2A32 A33 G37 Q38 A39N30-A32 PolarHBondContact OD1-N 3.19Å; N30-A33 HydrophobicContact CB-CB 4.05Å; N30-A33 WeakPolarHBondContact O-CB 3.22Å; N30-A33 PolarHBondContact OD1-N 2.61Å; N30-A33 VanDerWaalsContact OD1-N 3.13Å; N30-G37 PolarHBondContact ND2-O 3.38Å; N30-G37 PolarHBondContact OD1-O 2.86Å; N30-Q38 PolarHBondContact ND2-OE1 3.38Å; N30-A39 CarbonylContact C-O 3.33Å; N30-A39 WeakPolarHBondContact CA-O 3.22Å; N30-A39 PolarHBondContact OD1-N 3.05Å; N30-A39 PolarHBondContact OD1-O 2.87Å
31H85.7Confident81.1Confident59 Ų5970.8 Ų70.827%0.27340%0.396SS..SBendtrans-79.3-31.4178.1-76.4-116.1000111.8R29 A33 A39 D41R29-H31 PolarHBondContact O-CD2 3.37Å; R29-H31 VanDerWaalsContact O-CD2 3.28Å; R29-H31 PolarHBondContact O-N 3.31Å; H31-A33 PolarHBondContact O-N 3.43Å; H31-A39 PolarHBondContact N-O 3.44Å; H31-D41 HydrophobicContact CB-CB 3.72Å; H31-D41 VanDerWaalsContact CG-CB 3.46Å; H31-D41 IonicContact ND1-OD2 3.77Å
32A85.2Confident81.8Confident9 Ų970.6 Ų70.67%0.07439%0.394CS..G310 helixtrans-79.72173.800000114.3N30 A34 M35 G36 G37 A39N30-A32 PolarHBondContact OD1-N 3.19Å; A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.09Å; A32-M35 HydrophobicContact CB-CE 3.93Å; A32-M35 CarbonylContact O-C 3.4Å; A32-M35 WeakPolarHBondContact O-CA 3.27Å; A32-M35 PolarHBondContact O-N 3.25Å; A32-G36 PolarHBondContact O-N 2.83Å; A32-G37 CarbonylContact C-O 3.54Å; A32-G37 PolarHBondContact O-N 2.89Å; A32-A39 HydrophobicContact CB-CB 3.59Å
33A85.2Confident82.5Confident57 Ų5770.9 Ų70.947%0.47139%0.394SS..G310 helixtrans-56.4-29.2-178.400000114N30 H31N30-A33 HydrophobicContact CB-CB 4.05Å; N30-A33 WeakPolarHBondContact O-CB 3.22Å; N30-A33 PolarHBondContact OD1-N 2.61Å; N30-A33 VanDerWaalsContact OD1-N 3.13Å; H31-A33 PolarHBondContact O-N 3.43Å
34A79.4Confident82.3Confident46 Ų4665.6 Ų65.638%0.3839%0.389SS..G310 helixtrans-74.1-30.2175.100000112.9A32 G36A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.09Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.91Å
35M76.5Confident82.3Confident150 Ų15069.8 Ų69.874%0.73941%0.409SS*.G310 helixtrans-89.712.5178.5-57.6-176.2-70.800112.5A32 G37A32-M35 HydrophobicContact CB-CE 3.93Å; A32-M35 CarbonylContact O-C 3.4Å; A32-M35 WeakPolarHBondContact O-CA 3.27Å; A32-M35 PolarHBondContact O-N 3.25Å; M35-G37 PolarHBondContact O-N 3.47Å; M35-G37 VanDerWaalsContact O-N 3.11Å
36G83.8Confident82.3Confident76 Ų7666.3 Ų66.378%0.78439%0.393SS*.THydrogen-bonded Turntrans69.6-0.8-173.400000115.2A32 A34A32-G36 PolarHBondContact O-N 2.83Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.91Å
37G82.3Confident82.2Confident31 Ų3168.5 Ų68.532%0.3241%0.405SS..  trans-90.9176-177.900000114.1N30 A32 M35N30-G37 PolarHBondContact ND2-O 3.38Å; N30-G37 PolarHBondContact OD1-O 2.86Å; A32-G37 CarbonylContact C-O 3.54Å; A32-G37 PolarHBondContact O-N 2.89Å; M35-G37 PolarHBondContact O-N 3.47Å; M35-G37 VanDerWaalsContact O-N 3.11Å
38Q85.6Confident82Confident122 Ų12271.1 Ų71.157%0.5743%0.427SS*.  trans-123.297.7174-17956.458.300110.1N30N30-Q38 PolarHBondContact ND2-OE1 3.38Å
39A81Confident81.8Confident44 Ų4468.4 Ų68.436%0.36442%0.416SS..  trans-132.3113.2174.200000108.9N30 H31 A32 D41N30-A39 CarbonylContact C-O 3.33Å; N30-A39 WeakPolarHBondContact CA-O 3.22Å; N30-A39 PolarHBondContact OD1-N 3.05Å; N30-A39 PolarHBondContact OD1-O 2.87Å; H31-A39 PolarHBondContact N-O 3.44Å; A32-A39 HydrophobicContact CB-CB 3.59Å; A39-D41 PolarHBondContact O-N 2.97Å
40F80.6Confident81.6Confident125 Ų12568.3 Ų68.355%0.54843%0.434SS..BIsolated β-bridgetrans-8296.4164-60.6-72.9000106.5M28 R29 G42M28-F40 WeakPolarHBondContact O-CE1 3.45Å; R29-F40 WeakPolarHBondContact O-CD1 3.19Å; F40-G42 PolarHBondContact O-N 2.99Å
41D63.8Low81.3Confident97 Ų9772.3 Ų72.352%0.51946%0.462SS..  trans-71.375.8172.2-175.220.9000108.5H31 A39 C43H31-D41 HydrophobicContact CB-CB 3.72Å; H31-D41 VanDerWaalsContact CG-CB 3.46Å; H31-D41 IonicContact ND1-OD2 3.77Å; A39-D41 PolarHBondContact O-N 2.97Å; D41-C43 PolarHBondContact O-N 3.24Å
42G65.3Low81.2Confident39 Ų3973 Ų7340%0.40247%0.468SS..  trans-86.191.2-168.500000110.7F40 G44F40-G42 PolarHBondContact O-N 2.99Å; G42-G44 PolarHBondContact O-N 3.42Å; G42-G44 VanDerWaalsContact O-N 3.1Å
43C75.1Confident81.3Confident21 Ų2177 Ų7714%0.14249%0.492CS..  trans-50.7119.1149.545.70000108.3E26 C27 D41 E45 C56 A58 C59 H66E26-C43 WeakPolarHBondContact CA-O 3.33Å; C27-C43 PolarHBondContact N-O 2.82Å; D41-C43 PolarHBondContact O-N 3.24Å; C43-E45 PolarHBondContact O-N 3.23Å; C43-E45 VanDerWaalsContact O-N 3.15Å; C43-C56 VanDerWaalsContact SG-SG 3.61Å; C43-A58 HydrophobicContact CB-CB 3.58Å; C43-C59 VanDerWaalsContact SG-CB 3.6Å; C43-C59 PolarHBondContact SG-SG 2.99Å; C43-H66 PolarHBondContact SG-CE1 2.84Å
44G77.3Confident81.6Confident62 Ų6277.8 Ų77.864%0.63949%0.487SS*.SBendtrans-64.8-22-166.200000114.3K25 E26 G42K25-G44 CarbonylContact C-O 3.49Å; E26-G44 PolarHBondContact N-O 3.47Å; G42-G44 PolarHBondContact O-N 3.42Å; G42-G44 VanDerWaalsContact O-N 3.1Å
45E84.2Confident82.2Confident118 Ų11880.2 Ų80.255%0.55149%0.489SS*.SBendtrans-140.6156.4171.363.8-175.9175.300111.3C43 M47C43-E45 PolarHBondContact O-N 3.23Å; C43-E45 VanDerWaalsContact O-N 3.15Å; E45-M47 HydrophobicContact CG-CE 4.06Å; E45-M47 HydrophobicContact CG-CG 4.41Å; E45-M47 PolarHBondContact O-N 2.92Å; E45-M47 VanDerWaalsContact OE1-CE 3.23Å; E45-M47 WeakPolarHBondContact OE1-CE 3.44Å
46Y87.4Confident82.8Confident35 Ų3573.1 Ų73.114%0.13746%0.455CS..  trans-78106.6173.8179.9-99.2000111.1Y24 K25 A48 T53 L54 K55 C56 R63 H66Y24-Y46 VanDerWaalsContact CB-CB 3.46Å; Y24-Y46 HydrophobicContact CD2-CD1 4.26Å; Y24-Y46 WeakPolarHBondContact O-CB 3.37Å; Y24-Y46 PolarHBondContact O-N 3.48Å; K25-Y46 PolarHBondContact O-N 2.87Å; Y46-A48 HydrophobicContact CE1-CB 3.87Å; Y46-T53 PolarHBondContact OH-O 2.93Å; Y46-L54 WeakPolarHBondContact OH-CA 3.2Å; Y46-L54 PolarHBondContact OH-O 3.4Å; Y46-K55 PolarHBondContact OH-N 2.83Å; Y46-K55 VanDerWaalsContact OH-N 3.09Å; Y46-K55 PolarHBondContact OH-O 3.09Å; Y46-C56 HydrophobicContact CD2-CB 3.83Å; Y46-C56 HydrophobicContact CE2-CB 3.86Å; Y46-R63 HydrophobicContact CD2-CB 4.16Å; Y46-R63 HydrophobicContact CE1-CB 4.16Å; Y46-R63 HydrophobicContact CE2-CB 3.56Å; Y46-H66 AromaticContact CD2-CD2 3.74Å; Y46-H66 AromaticContact CD2-CE1 3.82Å; Y46-H66 AromaticContact CD2-CG 3.91Å; Y46-H66 AromaticContact CD2-ND1 3.99Å; Y46-H66 AromaticContact CD2-NE2 3.69Å
47M88.4Confident83.1Confident103 Ų10372.6 Ų72.651%0.50744%0.443SS..PPolyproline II helixtrans-94.1121.6164.3-62.2179.2179.200109E45 C56 A57E45-M47 HydrophobicContact CG-CE 4.06Å; E45-M47 HydrophobicContact CG-CG 4.41Å; E45-M47 PolarHBondContact O-N 2.92Å; E45-M47 VanDerWaalsContact OE1-CE 3.23Å; E45-M47 WeakPolarHBondContact OE1-CE 3.44Å; M47-C56 CarbonylContact O-C 3.57Å; M47-C56 VanDerWaalsContact O-CA 3.22Å; M47-C56 WeakPolarHBondContact O-CA 3.36Å; M47-A57 HydrophobicContact CB-CB 4.34Å; M47-A57 PolarHBondContact O-N 3.07Å
48A88.1Confident83.5Confident57 Ų5774.6 Ų74.647%0.47146%0.456SS..BIsolated β-bridgetrans-71.8131.9177.200000111.1Y46Y46-A48 HydrophobicContact CE1-CB 3.87Å
49S86.2Confident83.7Confident29 Ų2969.8 Ų69.820%0.20344%0.436CS..PPolyproline II helixtrans-7414316751.80000111.1P51 D52 T53 K55S49-P51 CarbonylContact O-C 3.58Å; S49-D52 CarbonylContact O-C 2.93Å; S49-D52 PolarHBondContact O-N 3.11Å; S49-D52 PolarHBondContact OG-O 2.87Å; S49-T53 PolarHBondContact O-N 3.35Å; S49-K55 PolarHBondContact N-O 2.98Å; S49-K55 PolarHBondContact OG-O 3.21Å
50S82.8Confident84.1Confident117 Ų11770 Ų7082%0.81844%0.443SS*.SBendtrans-92.5138.8164.250.20000110
51P83.6Confident84.6Confident122 Ų12264.1 Ų64.179%0.79242%0.417SS*.SBendcis-79.3-13.9-4.633.9-36.3000114.4S49 T53S49-P51 CarbonylContact O-C 3.58Å; P51-T53 PolarHBondContact O-N 3.5Å
52D83.5Confident85.9Confident74 Ų7463 Ų6340%0.39641%0.408SS..  trans-75.978.3-173.8-81.5-8.7000113.2S49 L54 K55S49-D52 CarbonylContact O-C 2.93Å; S49-D52 PolarHBondContact O-N 3.11Å; S49-D52 PolarHBondContact OG-O 2.87Å; D52-L54 PolarHBondContact O-N 2.83Å; D52-K55 HydrophobicContact CB-CB 4.36Å; D52-K55 HydrophobicContact CB-CD 4Å; D52-K55 HydrophobicContact CB-CG 4.29Å; D52-K55 PolarHBondContact O-N 3.06Å; D52-K55 WeakPolarHBondContact OD2-CD 3.46Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 IonicContact OD2-NZ 3.84Å; D52-K55 PolarHBondContact OD2-NZ 3.24Å
53T88.3Confident87.1Confident93 Ų9364.7 Ų64.757%0.57140%0.403SS*.THydrogen-bonded Turntrans-60.4-7-17964.50000115Y46 S49 P51Y46-T53 PolarHBondContact OH-O 2.93Å; S49-T53 PolarHBondContact O-N 3.35Å; P51-T53 PolarHBondContact O-N 3.5Å
54L89.9Confident87.8Confident72 Ų7267.5 Ų67.538%0.37742%0.422SS..THydrogen-bonded Turntrans-92.7-12.4177.7-62.4-176.8000114.5Y46 D52 H62 R63Y46-L54 WeakPolarHBondContact OH-CA 3.2Å; Y46-L54 PolarHBondContact OH-O 3.4Å; D52-L54 PolarHBondContact O-N 2.83Å; L54-H62 CarbonylContact O-C 3.47Å; L54-H62 VanDerWaalsContact O-CA 3.24Å; L54-H62 WeakPolarHBondContact O-CA 3.42Å; L54-H62 PolarHBondContact O-CD2 3.13Å; L54-R63 VanDerWaalsContact CD2-NE 3.34Å; L54-R63 PolarHBondContact O-N 2.86Å
55K92Very high88.3Confident97 Ų9768.7 Ų68.742%0.42241%0.41SS..BIsolated β-bridgetrans-110.7145-179.8-65.7173.6-173.6162.90111.3Y46 S49 D52Y46-K55 PolarHBondContact OH-N 2.83Å; Y46-K55 VanDerWaalsContact OH-N 3.09Å; Y46-K55 PolarHBondContact OH-O 3.09Å; S49-K55 PolarHBondContact N-O 2.98Å; S49-K55 PolarHBondContact OG-O 3.21Å; D52-K55 HydrophobicContact CB-CB 4.36Å; D52-K55 HydrophobicContact CB-CD 4Å; D52-K55 HydrophobicContact CB-CG 4.29Å; D52-K55 PolarHBondContact O-N 3.06Å; D52-K55 WeakPolarHBondContact OD2-CD 3.46Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 IonicContact OD2-NZ 3.84Å; D52-K55 PolarHBondContact OD2-NZ 3.24Å
56C90.6Very high88.7Confident2 Ų263.3 Ų63.31%0.01439%0.385CS..BIsolated β-bridgetrans-76.6127.4172.5-174.10000110.4C43 Y46 M47 A58 G60 C61 H66C43-C56 VanDerWaalsContact SG-SG 3.61Å; Y46-C56 HydrophobicContact CD2-CB 3.83Å; Y46-C56 HydrophobicContact CE2-CB 3.86Å; M47-C56 CarbonylContact O-C 3.57Å; M47-C56 VanDerWaalsContact O-CA 3.22Å; M47-C56 WeakPolarHBondContact O-CA 3.36Å; C56-A58 VanDerWaalsContact C-N 3.25Å; C56-A58 PolarHBondContact O-N 3.22Å; C56-G60 WeakPolarHBondContact O-CA 3.25Å; C56-G60 PolarHBondContact O-N 3.09Å; C56-C61 WeakPolarHBondContact CB-O 3.31Å; C56-C61 PolarHBondContact N-O 3.39Å; C56-H66 WeakPolarHBondContact CB-NE2 3.33Å
57A90.1Very high88.7Confident65 Ų6567.9 Ų67.954%0.53740%0.402SS..THydrogen-bonded Turntrans-62.4-30.117700000113.2M47M47-A57 HydrophobicContact CB-CB 4.34Å; M47-A57 PolarHBondContact O-N 3.07Å
58A88.8Confident88.7Confident72 Ų7269.9 Ų69.960%0.59540%0.404SS*.THydrogen-bonded Turntrans-83.5-50.9-177.500000113.4C43 C56C43-A58 HydrophobicContact CB-CB 3.58Å; C56-A58 VanDerWaalsContact C-N 3.25Å; C56-A58 PolarHBondContact O-N 3.22Å
59C90.3Very high88.1Confident21 Ų2168.1 Ų68.114%0.14239%0.389CS..THydrogen-bonded Turntrans-109.22.2-17374.20000114.3C43 C61C43-C59 VanDerWaalsContact SG-CB 3.6Å; C43-C59 PolarHBondContact SG-SG 2.99Å; C59-C61 PolarHBondContact O-N 3.36Å; C59-C61 PolarHBondContact O-SG 2.98Å; C59-C61 VanDerWaalsContact O-SG 3.38Å; C59-C61 WeakPolarHBondContact SG-CB 3.36Å; C59-C61 PolarHBondContact SG-N 2.99Å
60G89.3Confident87.2Confident50 Ų5074.4 Ų74.452%0.51542%0.42SS..  trans65.3-0.8-177.100000115.7C56C56-G60 WeakPolarHBondContact O-CA 3.25Å; C56-G60 PolarHBondContact O-N 3.09Å
61C91Very high85.9Confident1 Ų172.3 Ų72.31%0.00741%0.41CS..  trans-78.7148.2-174.4-64.30000112.2R29 C56 C59 F65R29-C61 WeakPolarHBondContact CD-SG 3.38Å; R29-C61 PolarHBondContact NH1-SG 3.47Å; R29-C61 VanDerWaalsContact NH1-SG 3.41Å; C56-C61 WeakPolarHBondContact CB-O 3.31Å; C56-C61 PolarHBondContact N-O 3.39Å; C59-C61 PolarHBondContact O-N 3.36Å; C59-C61 PolarHBondContact O-SG 2.98Å; C59-C61 VanDerWaalsContact O-SG 3.38Å; C59-C61 WeakPolarHBondContact SG-CB 3.36Å; C59-C61 PolarHBondContact SG-N 2.99Å; C61-F65 HydrophobicContact CB-CB 4.19Å; C61-F65 HydrophobicContact CB-CD2 4.19Å; C61-F65 HydrophobicContact CB-CG 4.48Å
62H91.8Very high84.1Confident72 Ų7271.3 Ų71.333%0.33341%0.412SS..BIsolated β-bridgetrans-63.7144.6173.8-175.5-107.1000111.2L54 S64 F65L54-H62 CarbonylContact O-C 3.47Å; L54-H62 VanDerWaalsContact O-CA 3.24Å; L54-H62 WeakPolarHBondContact O-CA 3.42Å; L54-H62 PolarHBondContact O-CD2 3.13Å; H62-S64 WeakPolarHBondContact ND1-CB 3.43Å; H62-S64 PolarHBondContact ND1-N 2.93Å; H62-S64 PolarHBondContact ND1-OG 3.15Å; H62-S64 PolarHBondContact O-N 3.32Å; H62-F65 HydrophobicContact CB-CD2 3.91Å; H62-F65 HydrophobicContact CB-CE2 4.07Å; H62-F65 WeakPolarHBondContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CD2 3.28Å; H62-F65 PolarHBondContact O-N 2.98Å
63R90.6Very high82.1Confident76 Ų7672.3 Ų72.329%0.28743%0.43SS..G310 helixtrans-49.1-27.6-179.469.2-174.8-177.2179.21.4115Y24 Y46 L54 F65 H66Y24-R63 HydrophobicContact CD1-CB 4.41Å; Y24-R63 VanDerWaalsContact CD1-O 3.27Å; Y24-R63 WeakPolarHBondContact CD1-O 3.4Å; Y24-R63 HydrophobicContact CE1-CB 4.14Å; Y24-R63 HydrophobicContact CE1-CG 4.28Å; Y46-R63 HydrophobicContact CD2-CB 4.16Å; Y46-R63 HydrophobicContact CE1-CB 4.16Å; Y46-R63 HydrophobicContact CE2-CB 3.56Å; L54-R63 VanDerWaalsContact CD2-NE 3.34Å; L54-R63 PolarHBondContact O-N 2.86Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 3.04Å; R63-H66 PolarHBondContact O-N 2.76Å; R63-H66 VanDerWaalsContact O-N 3.16Å
64S89.4Confident80.1Confident79 Ų7972.5 Ų72.555%0.55244%0.435SS*.G310 helixtrans-69.3-17.1176.964.20000114.8H62 H66H62-S64 WeakPolarHBondContact ND1-CB 3.43Å; H62-S64 PolarHBondContact ND1-N 2.93Å; H62-S64 PolarHBondContact ND1-OG 3.15Å; H62-S64 PolarHBondContact O-N 3.32Å; S64-H66 VanDerWaalsContact C-N 3.33Å
65F88.9Confident77.9Confident87 Ų8775.6 Ų75.638%0.38246%0.459SS..G310 helixtrans-81.3-16172.4-67.7-74.9000112.3M28 R29 C61 H62 R63M28-F65 WeakPolarHBondContact CA-O 3.35Å; M28-F65 WeakPolarHBondContact CB-O 3.36Å; M28-F65 PolarHBondContact N-O 3.36Å; R29-F65 HydrophobicContact CB-CB 4.47Å; R29-F65 HydrophobicContact CB-CD1 4.29Å; R29-F65 HydrophobicContact CB-CG 4.5Å; C61-F65 HydrophobicContact CB-CB 4.19Å; C61-F65 HydrophobicContact CB-CD2 4.19Å; C61-F65 HydrophobicContact CB-CG 4.48Å; H62-F65 HydrophobicContact CB-CD2 3.91Å; H62-F65 HydrophobicContact CB-CE2 4.07Å; H62-F65 WeakPolarHBondContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CD2 3.28Å; H62-F65 PolarHBondContact O-N 2.98Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 3.04Å
66H91.2Very high75.3Confident5 Ų576.2 Ų76.22%0.02348%0.475CS..EExtended strand (participates in β ladder)trans-86.1143.1176.3-71.1-118.8000111Y24 K25 E26 C43 Y46 C56 R63 S64 R68Y24-H66 HydrophobicContact CD1-CB 4.43Å; K25-H66 PolarHBondContact O-ND1 2.93Å; E26-H66 VanDerWaalsContact O-CA 3.29Å; E26-H66 WeakPolarHBondContact O-CA 3.39Å; C43-H66 PolarHBondContact SG-CE1 2.84Å; Y46-H66 AromaticContact CD2-CD2 3.74Å; Y46-H66 AromaticContact CD2-CE1 3.82Å; Y46-H66 AromaticContact CD2-CG 3.91Å; Y46-H66 AromaticContact CD2-ND1 3.99Å; Y46-H66 AromaticContact CD2-NE2 3.69Å; C56-H66 WeakPolarHBondContact CB-NE2 3.33Å; R63-H66 PolarHBondContact O-N 2.76Å; R63-H66 VanDerWaalsContact O-N 3.16Å; S64-H66 VanDerWaalsContact C-N 3.33Å; H66-R68 PolarHBondContact O-N 2.97Å
67R88.3Confident73.3Confident131 Ų13180.3 Ų80.349%0.49451%0.509SS..EExtended strand (participates in β ladder)trans-65.4111.1175.6-167.9-166.9-54-108.6-0.4109.4K25 E26 M28 A69K25-R67 HydrophobicContact CB-CB 4.48Å; K25-R67 PolarHBondContact N-O 3.29Å; E26-R67 PolarHBondContact O-N 2.83Å; E26-R67 IonicContact OE1-CZ 2.94Å; E26-R67 IonicContact OE1-NE 3.12Å; E26-R67 PolarHBondContact OE1-NE 3.36Å; E26-R67 IonicContact OE1-NH2 2.7Å; E26-R67 PolarHBondContact OE1-NH2 3.37Å; E26-R67 IonicContact OE2-NE 2.69Å; M28-R67 HydrophobicContact CE-CB 4.25Å; M28-R67 HydrophobicContact CG-CB 4.34Å; M28-R67 HydrophobicContact SD-CB 3.85Å; M28-R67 HydrophobicContact SD-CG 4.23Å; R67-A69 PolarHBondContact O-N 3.21Å
68R88.4Confident71.7Confident145 Ų14582.6 Ų82.655%0.54752%0.518SS..EExtended strand (participates in β ladder)trans-64.9118.5172.1-172.3176-73.4173.7-6108.8Y24 H66 L70Y24-R68 HydrophobicContact CD1-CB 4.11Å; Y24-R68 HydrophobicContact CD1-CG 4.42Å; Y24-R68 HydrophobicContact CE1-CB 4.31Å; Y24-R68 HydrophobicContact CE1-CG 4.39Å; Y24-R68 PolarHBondContact OH-NH2 3.36Å; H66-R68 PolarHBondContact O-N 2.97Å; R68-L70 PolarHBondContact O-N 3.28Å
69A75.9Confident70.2Confident20 Ų2083.5 Ų83.517%0.16552%0.518CS..PPolyproline II helixtrans-64.6122.3165.400000107.6G22 K23 K25 R67 A71G22-A69 WeakPolarHBondContact CA-O 3.3Å; K23-A69 HydrophobicContact CB-CB 4.46Å; K23-A69 WeakPolarHBondContact O-CA 3.36Å; K23-A69 WeakPolarHBondContact O-CB 3.46Å; K23-A69 PolarHBondContact O-N 3.35Å; K25-A69 HydrophobicContact CD-CB 4.48Å; K25-A69 HydrophobicContact CG-CB 4.24Å; R67-A69 PolarHBondContact O-N 3.21Å; A69-A71 PolarHBondContact O-N 3.13Å; A69-A71 VanDerWaalsContact O-N 3.12Å
70L65.7Low68.4Low162 Ų16289.4 Ų89.485%0.84855%0.553SS**PPolyproline II helixtrans-59117156.2-60.8177.2000105.4R68 A72R68-L70 PolarHBondContact O-N 3.28Å; L70-A72 PolarHBondContact O-N 3.01Å
71A55.6Low67.1Low73 Ų7395.2 Ų95.260%0.60356%0.564SS**PPolyproline II helixtrans-50.5129.3170.100000106.8A69 A73A69-A71 PolarHBondContact O-N 3.13Å; A69-A71 VanDerWaalsContact O-N 3.12Å; A71-A73 PolarHBondContact O-N 2.79Å
72A46.7Very low65.3Low101 Ų101104.8 Ų104.884%0.83561%0.606SS**  trans-51.7111.6-171.900000108.3L70 S74L70-A72 PolarHBondContact O-N 3.01Å; A72-S74 PolarHBondContact O-N 3.18Å
73A41.2Very low63.8Low95 Ų95111.5 Ų111.579%0.78563%0.629SS**  trans-60118-18000000106.3A71A71-A73 PolarHBondContact O-N 2.79Å
74S46.3Very low62.6Low97 Ų97112.7 Ų112.768%0.67865%0.646SS**  trans-44.8135.8166.1-174.60000107.7A72 C76A72-S74 PolarHBondContact O-N 3.18Å; S74-C76 PolarHBondContact O-N 3.29Å
75P44.5Very low61.8Low136 Ų136114.4 Ų114.488%0.88366%0.655SS**SBendtrans-68.878.6-16828.3-36.3000111.5
76C37.7Very low61.1Low111 Ų111114.7 Ų114.775%0.7567%0.666SS**SBendtrans-140.192.6-175.8-163.70000108S74S74-C76 PolarHBondContact O-N 3.29Å
77A47.2Very low60.2Low88 Ų88120 Ų12073%0.72770%0.701SS**  trans55.5121.117700000117.2
78P56.4Low59.5Low113 Ų113119.7 Ų119.773%0.73472%0.716SS**  trans-62.2144.4160.830.5-33.6000108.6V80P78-V80 PolarHBondContact O-N 3.28Å
79P57.3Low58.3Low91 Ų91117.7 Ų117.759%0.59173%0.73SS**  trans-61.1130.7175.327.4-34.4000108.9F81P79-F81 HydrophobicContact CB-CD2 3.68Å; P79-F81 HydrophobicContact CB-CE2 3.48Å; P79-F81 VanDerWaalsContact CB-CE2 3.48Å; P79-F81 HydrophobicContact CB-CG 4.49Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD2 3.63Å; P79-F81 HydrophobicContact CG-CE2 3.57Å; P79-F81 PolarHBondContact O-N 3.35Å
80V53.5Low58Low144 Ų144124.3 Ų124.387%0.87376%0.762SS**  trans-73.457.5178.8-740000111.9P78 F82P78-V80 PolarHBondContact O-N 3.28Å; V80-F82 PolarHBondContact O-N 2.8Å
81F61.1Low58.2Low172 Ų172122.5 Ų122.575%0.75476%0.76SS**  trans-77.3101.5164-62.4-54.2000108.3P79 R83P79-F81 HydrophobicContact CB-CD2 3.68Å; P79-F81 HydrophobicContact CB-CE2 3.48Å; P79-F81 VanDerWaalsContact CB-CE2 3.48Å; P79-F81 HydrophobicContact CB-CG 4.49Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD2 3.63Å; P79-F81 HydrophobicContact CG-CE2 3.57Å; P79-F81 PolarHBondContact O-N 3.35Å; F81-R83 PolarHBondContact O-N 3.24Å
82F54.7Low58.6Low203 Ų203123.3 Ų123.389%0.8977%0.767SS**  trans4.982.4166.1-76-91.9000114.9V80 P84V80-F82 PolarHBondContact O-N 2.8Å; F82-P84 WeakPolarHBondContact O-CD 3.24Å
83R59.9Low59.6Low213 Ų213123.8 Ų123.880%0.80476%0.762SS**PPolyproline II helixtrans-62.1118162.9167.6169.7155.7-170.2-7.4106.4F81F81-R83 PolarHBondContact O-N 3.24Å
84P64.2Low60.6Low101 Ų101125.2 Ų125.266%0.65676%0.763SS**PPolyproline II helixtrans-58.3146.3173.726.1-34.4000109F82F82-P84 WeakPolarHBondContact O-CD 3.24Å
85P73.3Confident61Low114 Ų114129.5 Ų129.574%0.7477%0.772SS**PPolyproline II helixtrans-57.5140.5178.525-33.7000109.5
86P74Confident61.3Low94 Ų94131.2 Ų131.261%0.6177%0.768SS**PPolyproline II helixtrans-60.8142.4174.427.8-33.8000109.4
87P73.6Confident61.9Low115 Ų115133.1 Ų133.175%0.74777%0.766SS**PPolyproline II helixtrans-60.4147.3172.427.4-34.2000109.9A89P87-A89 PolarHBondContact O-N 3.31Å
88P73Confident62.2Low125 Ų125137.4 Ų137.481%0.81277%0.769SS**PPolyproline II helixtrans-58.9129.7178.124.6-33.4000110.2L90P88-L90 PolarHBondContact O-N 2.7Å
89A63.5Low62.2Low103 Ų103138.9 Ų138.985%0.85177%0.765SS**  trans-68.7115.4-176.200000110.8P87P87-A89 PolarHBondContact O-N 3.31Å
90L69.1Low61.9Low159 Ų159143.3 Ų143.383%0.83278%0.778SS**PPolyproline II helixtrans-70146.5166.7-67.8170.6000109.7P88 A92P88-L90 PolarHBondContact O-N 2.7Å; L90-A92 PolarHBondContact O-N 3.1Å
91P70.3Confident61.9Low124 Ų124144.6 Ų144.681%0.80577%0.774SS**PPolyproline II helixtrans-62.8133.5178.625.8-33.7000111.1
92A63Low61.5Low91 Ų91144.8 Ų144.875%0.75278%0.777SS**PPolyproline II helixtrans-71.5139.6-176.600000112.1L90L90-A92 PolarHBondContact O-N 3.1Å
93P69.2Low61.4Low111 Ų111143.5 Ų143.572%0.72177%0.773SS**PPolyproline II helixtrans-71151.7173.630.3-34.7000111.7
94P60.8Low61.1Low125 Ų125141 Ų14181%0.81277%0.771SS**PPolyproline II helixtrans-67.9138.3-177.127.1-34.1000112.6Q96P94-Q96 PolarHBondContact O-N 2.94Å
95Q54.4Low60.1Low186 Ų186144.7 Ų144.787%0.86978%0.779SS**PPolyproline II helixtrans-63.1126.1179.9-67.3-84.5-43.900111.6
96Q52.1Low59Low172 Ų172144.1 Ų144.180%0.80478%0.783SS**PPolyproline II helixtrans-95.6129.7163.6-71.1-156.9-24.200110.5P94P94-Q96 PolarHBondContact O-N 2.94Å
97H50.2Low57.8Low152 Ų152144.2 Ų144.270%0.70479%0.792SS**  trans-100.2103.4-162.8-174.695.4000111.3
98F53.5Low56.8Low178 Ų178147 Ų14778%0.78180%0.8SS**  trans-129.587.6174.4-77.9-75.5000113.6
99H55.1Low55.6Low143 Ų143150.8 Ų150.866%0.66281%0.807SS**  trans41.7106.6132.7-63.187.7000119.2
100H51.5Low54.9Low185 Ų185148.8 Ų148.886%0.85680%0.797SS**  trans-68.9126.4160.7-8244.9000111H102H100-H102 PolarHBondContact O-N 3.47Å
101H54.6Low53.9Low171 Ų171150.4 Ų150.479%0.79280%0.797SS**  trans-91.593.6174.1-130.4-53.7000110.6
102H51.5Low53.4Low176 Ų176151.6 Ų151.682%0.81580%0.796SS**  trans-73.8128.2159-98.9-85.7000108.4H100H100-H102 PolarHBondContact O-N 3.47Å
103H53.1Low52.7Low175 Ų175152.4 Ų152.481%0.8179%0.794SS**  trans-106.8138.4166.7-137.6-77.9000110.8
104H53.8Low52.1Low162 Ų162152.6 Ų152.675%0.7580%0.798SS**  trans-99.2161.3-154.1-153.3-88.2000113.4
105Q43.1Very low52.2Low178 Ų178152.8 Ų152.883%0.83280%0.796SS**  trans-57.5144.5172.4-63170.2-11.600112.2
106A50.2Low52.2Low101 Ų101149.7 Ų149.784%0.83579%0.792SS**  trans-135.4117.9155.900000108.9
107A48.2Very low52.9Low96 Ų96147.5 Ų147.579%0.79379%0.79SS**  trans-77.8148.9172.400000110.3
108L53Low53.3Low175 Ų175146.1 Ų146.192%0.91680%0.795SS**  trans172.7101.7138.9-93-179.3000108
109Q47.9Very low54Low203 Ų203143.7 Ų143.795%0.94979%0.794SS**  trans-126.2133.7164.1-75.3-170.2-39.200108.2
110G48.6Very low54.6Low62 Ų62142.8 Ų142.864%0.63980%0.801SS**  trans-135.4140.4172.100000110.8
111F48.7Very low54.9Low192 Ų192138.5 Ų138.584%0.84280%0.797SS**  trans58.6120.2145.2-74-105000117
112L59.2Low55.7Low150 Ų150135.6 Ų135.679%0.78579%0.794SS**  cis-156.5170.813.6-91.1172.3000111.3
113P49Very low56.6Low108 Ų108132.4 Ų132.470%0.70179%0.789SS**  trans-99.2161.1-172.738.9-34.4000114.3
114S55.2Low57Low115 Ų115129.6 Ų129.680%0.80479%0.786SS**  trans-167.8124145.9-87.40000115.3
115V62.8Low56.9Low129 Ų129129.9 Ų129.978%0.78279%0.787SS**  trans59.3123.4148.9-165.20000120.5
116P54Low57.2Low121 Ų121129 Ų12979%0.78679%0.788SS**  trans-94.6150.3170.837.3-32.5000113.5
117V68.4Low57Low125 Ų125128.7 Ų128.776%0.75879%0.785SS**  trans-134.1131.6163.9179.90000108.4
118P58.8Low57.5Low124 Ų124131.7 Ų131.781%0.80579%0.787SS**  trans-87.7134.2-175.933.6-33.1000112.4
119V67.6Low57.7Low127 Ų127129.1 Ų129.177%0.7778%0.781SS**  trans-135.4133.9169.9-1730000107.8
120P67.2Low57.7Low124 Ų124128.8 Ų128.881%0.80577%0.772SS**PPolyproline II helixtrans-71.7146.3-169.327.6-35.4000113.7
121A59Low57.7Low94 Ų94134.1 Ų134.178%0.77778%0.78SS**PPolyproline II helixtrans-82.6141-171.900000114
122P71Confident57.8Low110 Ų110129.6 Ų129.671%0.71478%0.778SS**PPolyproline II helixtrans-78.4153.9160.633.6-33.1000111.2
123P70.8Confident57.7Low110 Ų110129.4 Ų129.471%0.71478%0.783SS**PPolyproline II helixtrans-70.9150.1-177.128.5-35000113.2H125P123-H125 PolarHBondContact O-N 2.82Å
124P61.5Low58.1Low115 Ų115129.9 Ų129.975%0.74779%0.786SS**PPolyproline II helixtrans-72.8121.9-173.928.8-34.8000112.5L126P124-L126 PolarHBondContact O-N 3Å
125H50.9Low57.7Low168 Ų168131.1 Ų131.178%0.77878%0.783SS**  trans-71.8109.6166.924.9-86.5000109.4P123 A127P123-H125 PolarHBondContact O-N 2.82Å; H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.43Å
126L50.4Low57.1Low160 Ų160129.5 Ų129.584%0.83878%0.784SS**  trans-71.687.7173.2-70.9174.7000110.3P124 L128P124-L126 PolarHBondContact O-N 3Å; L126-L128 PolarHBondContact O-N 3.5Å
127A45.4Very low57Low94 Ų94127.9 Ų127.978%0.77778%0.781SS**  trans-68.2108.5167.100000109.5H125H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.43Å
128L58Low56.2Low159 Ų159126.5 Ų126.583%0.83278%0.782SS**  trans-85.8133.9167.1-72.7175.4000109.5L126 Y130L126-L128 PolarHBondContact O-N 3.5Å; L128-Y130 PolarHBondContact O-N 2.96Å
129P57.7Low55.7Low122 Ų122123.7 Ų123.779%0.79277%0.769SS**  trans-70.5115.1177.328.4-32.7000110.2
130Y47.6Very low54.9Low196 Ų196120.7 Ų120.777%0.76975%0.752SS**  trans-62.5171.2150.1-143.6-107.5000108.7L128L128-Y130 PolarHBondContact O-N 2.96Å
131H49Very low54.3Low174 Ų174120.2 Ų120.281%0.80675%0.75SS**  trans75.282.2177.7-33.6-73.1000117.2
132A49.6Very low54.4Low96 Ų96124.9 Ų124.979%0.79375%0.747SS**  trans-164.195.3137.600000109.8P134A132-P134 WeakPolarHBondContact O-CD 3.34Å
133V58.3Low53.6Low147 Ų147124.7 Ų124.789%0.89174%0.74SS**  trans-81.5115.6166-124.80000107.6N135V133-N135 PolarHBondContact O-N 2.92Å
134P56.2Low52.7Low118 Ų118123.2 Ų123.277%0.76674%0.737SS**  trans-70.9123174.1-15.231.5000109A132 A136A132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-A136 PolarHBondContact O-N 3.08Å
135N48.6Very low52.1Low140 Ų140121.8 Ų121.875%0.74974%0.735SS**  trans-48.4133.6176-176.39.6000111.3V133 A137V133-N135 PolarHBondContact O-N 2.92Å; N135-A137 PolarHBondContact O-N 2.85Å
136A49.9Very low52Low96 Ų96124.6 Ų124.679%0.79374%0.738SS**THydrogen-bonded Turntrans-72.723.8-170.800000115P134P134-A136 PolarHBondContact O-N 3.08Å
137A52.2Low52Low87 Ų87121.3 Ų121.372%0.71973%0.734SS**THydrogen-bonded Turntrans-92.5-0.7-172.400000115N135N135-A137 PolarHBondContact O-N 2.85Å
138A50Low51.7Low96 Ų96120.1 Ų120.179%0.79373%0.731SS**SBendtrans-129.212.1-174.400000114.9
139A48.2Very low51.4Low64 Ų64117.5 Ų117.553%0.52973%0.726SS.*SBendtrans-77.8131.2175.800000110.8
140P52.5Low50.9Low64 Ų64120.5 Ų120.542%0.41673%0.729SS.*  trans-64142.7179.426.7-35.1000111W142 L143P140-W142 PolarHBondContact O-N 2.97Å; P140-L143 HydrophobicContact CG-CD1 4.16Å; P140-L143 PolarHBondContact O-N 3.32Å
141P53.4Low50.9Low115 Ų115117.8 Ų117.875%0.74773%0.734SS**THydrogen-bonded Turntrans-62.9-13.7-158.919.9-33.1000116.1L143P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.48Å
142W61.2Low51.1Low192 Ų192114.9 Ų114.973%0.72773%0.73SS**THydrogen-bonded Turntrans-72.8-12.8175.668.9-82000114.4P140P140-W142 PolarHBondContact O-N 2.97Å
143L54.9Low51.1Low106 Ų106116.5 Ų116.556%0.55573%0.733SS**THydrogen-bonded Turntrans-93-19.7177.7-76.1162.6000113.9P140 P141P140-L143 HydrophobicContact CG-CD1 4.16Å; P140-L143 PolarHBondContact O-N 3.32Å; P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.48Å
144A51.8Low50.4Low79 Ų79119.2 Ų119.265%0.65373%0.727SS**THydrogen-bonded Turntrans-93.1-19.6-176.900000114.4R146A144-R146 VanDerWaalsContact C-N 3.28Å; A144-R146 PolarHBondContact O-N 2.97Å
145A48.1Very low50Low85 Ų85120.8 Ų120.870%0.70273%0.728SS**  trans-81.850.8-16900000114.8
146R49.8Very low50.1Low226 Ų226120.1 Ų120.185%0.85372%0.724SS**  trans-128.634.5-179.4-41.5-152.591.6159.68.7114A144A144-R146 VanDerWaalsContact C-N 3.28Å; A144-R146 PolarHBondContact O-N 2.97Å
147A48.7Very low49.6Very low91 Ų91121.4 Ų121.475%0.75272%0.718SS**SBendtrans-120.1125.3173.200000110.4
148G39.6Very low49.3Very low70 Ų70127.1 Ų127.172%0.72273%0.727SS**  trans75160.6162.900000118
149S52.7Low48.8Very low103 Ų103126.5 Ų126.572%0.7273%0.73SS**  trans53.4147.3154.947.50000121.3
150E47.5Very low48.6Very low185 Ų185130.6 Ų130.686%0.86475%0.748SS**  cis-161.1-170.5-23.848.9-147.56.700110.1
151T47.4Very low47.8Very low140 Ų140130.5 Ų130.586%0.85976%0.759SS**  trans-88.7167.6-153230000117.9
152P52.2Low47Very low113 Ų113133.6 Ų133.673%0.73477%0.768SS**  trans-113.6-179.1-162.444.1-36.9000115.5
153P49.8Very low46.2Very low130 Ų130129 Ų12984%0.84477%0.771SS**  trans-101.9161.7155.336.4-29.5000113.5
154R43.6Very low45.5Very low204 Ų204130.5 Ų130.577%0.7779%0.787SS**  trans-124.2138.2-177.1-171.9-141.8-177.9136.6-1.3111.2
155L48.1Very low45.1Very low150 Ų150130.1 Ų130.179%0.78579%0.791SS**  trans-161.1145.6154.8-122.267.4000104.8
156D50.2Low44.9Very low126 Ų126132.4 Ų132.467%0.67480%0.801SS**  cis-130.7177.31.4-81.6-84.6000110.3
157D40.5Very low44.2Very low123 Ų123125.3 Ų125.366%0.65880%0.799SS**  trans-159.889.5156.4-172.5-74.4000108.8
158F44.9Very low43.9Very low208 Ų208125.9 Ų125.991%0.91280%0.803SS**  trans-163.2131.4163.9-71.3-62.7000108.8
159G40.3Very low43.6Very low82 Ų82126.7 Ų126.785%0.84581%0.812SS**  trans162.971.8178.600000115.4
160V43.6Very low43.3Very low151 Ų151127.6 Ų127.692%0.91582%0.818SS**  trans-69.8139.9175-72.60000112.8
161G35Very low42.8Very low62 Ų62122.5 Ų122.564%0.63982%0.815SS**  trans94.8122.6131.700000121.3
162L36.6Very low43Very low180 Ų180120.8 Ų120.894%0.94281%0.809SS**  trans80.9140.3145.3-68.989.3000122.3
163A45.4Very low42.4Very low95 Ų95118.1 Ų118.179%0.78580%0.802SS**  trans93.7120.4155.600000119.2
164P39.1Very low42.9Very low137 Ų137115.7 Ų115.789%0.8979%0.788SS**  trans-88.5130.1170.734.4-30.6000111.3
165G43.2Very low43.5Very low72 Ų72115.4 Ų115.474%0.74279%0.793SS**  trans-164.5102.5-179.300000114.5
166S44.4Very low43.7Very low132 Ų132111.3 Ų111.392%0.92379%0.787SS**  trans38.1103.5143.5-54.70000121
167G35.5Very low44.1Very low77 Ų77114.9 Ų114.979%0.79479%0.791SS**  96.8175.1128.600000118.8
168A43.2Very low45.5Very low103 Ų103117.9 Ų117.985%0.85180%0.798SS**  trans59.188.8-179.500000115.9
169G33.3Very low46.7Very low87 Ų87119.6 Ų119.690%0.89780%0.799SS**  trans-64.4135.1163.200000111.1
170S46.4Very low48Very low123 Ų123124.5 Ų124.586%0.8680%0.797SS**  trans-132.9133.5168.1-164.20000109.3
171G36.7Very low49.6Very low78 Ų78127.7 Ų127.780%0.80479%0.792SS**  trans-80.5139.3-167.700000113.1
172S50.3Low51.9Low103 Ų103128.6 Ų128.672%0.7279%0.785SS**  trans-143.693.9155.7178.90000109.4S174S172-S174 PolarHBondContact O-N 3.18Å
173G40.1Very low54.3Low58 Ų58129.1 Ų129.160%0.59878%0.78SS**  trans-59.6103.9177.900000111F175G173-F175 VanDerWaalsContact O-CD2 3.26Å; G173-F175 WeakPolarHBondContact O-CD2 3.02Å; G173-F175 PolarHBondContact O-N 3.43Å
174S59.9Low56.6Low79 Ų79126 Ų12655%0.55275%0.749SS**  trans-75.870176.2-78.20000111S172 G176 R177S172-S174 PolarHBondContact O-N 3.18Å; S174-G176 PolarHBondContact O-N 3.12Å; S174-G176 VanDerWaalsContact O-N 3.09Å; S174-R177 PolarHBondContact OG-NH2 3.17Å
175F57.1Low59.2Low198 Ų198122.5 Ų122.587%0.86873%0.725SS**  trans-59.8111.6171-66.7-79.1000110.2G173 R177G173-F175 VanDerWaalsContact O-CD2 3.26Å; G173-F175 WeakPolarHBondContact O-CD2 3.02Å; G173-F175 PolarHBondContact O-N 3.43Å; F175-R177 PolarHBondContact O-N 3.1Å
176G51.8Low61.6Low63 Ų63124.1 Ų124.165%0.64972%0.723SS**  trans75.320151.100000118.8S174 K178S174-G176 PolarHBondContact O-N 3.12Å; S174-G176 VanDerWaalsContact O-N 3.09Å; G176-K178 PolarHBondContact O-N 3.43Å
177R59.7Low64Low201 Ų201124 Ų12476%0.75871%0.708SS**  trans-65.182.2165.8-85.3-172.4-88.2-111.7-0.3110.7S174 F175 R179S174-R177 PolarHBondContact OG-NH2 3.17Å; F175-R177 PolarHBondContact O-N 3.1Å; R177-R179 PolarHBondContact O-N 2.91Å
178K69.4Low66.8Low187 Ų187122.5 Ų122.581%0.81368%0.68SS**PPolyproline II helixtrans-50.8126171.5-73.1154.1-178.31650108G176 F180G176-K178 PolarHBondContact O-N 3.43Å; K178-F180 PolarHBondContact O-N 3.43Å
179R69.1Low69.3Low244 Ų244121.8 Ų121.892%0.92166%0.657SS**PPolyproline II helixtrans-51.6129.5-175.9-59.3-177.7-161.4-132.22.1109.3R177 R181R177-R179 PolarHBondContact O-N 2.91Å; R179-R181 PolarHBondContact O-N 2.85Å; R179-R181 VanDerWaalsContact O-N 3.17Å
180F69Low72.3Confident184 Ų184122.1 Ų122.181%0.80764%0.636SS**PPolyproline II helixtrans-57.8120.9180-174.7-95.9000109.7K178K178-F180 PolarHBondContact O-N 3.43Å
181R77.4Confident74.6Confident219 Ų219121 Ų12183%0.82661%0.613SS**PPolyproline II helixtrans-82.5118.2173.9-176.8176.5-178.986.10.1107.7R179 K183R179-R181 PolarHBondContact O-N 2.85Å; R179-R181 VanDerWaalsContact O-N 3.17Å; R181-K183 PolarHBondContact O-N 3.06Å
182T82.3Confident77.4Confident80 Ų80117.3 Ų117.349%0.49157%0.574SS.*PPolyproline II helixtrans-57.6133.9175.8470000110.7
183K87.6Confident79.6Confident191 Ų191116.8 Ų116.883%0.8356%0.557SS**  trans-126120.2174.6-176.4-175.6178.2-171.80107.3R181R181-K183 PolarHBondContact O-N 3.06Å
184F92.3Very high82.1Confident30 Ų30118.8 Ų118.813%0.13255%0.55CS.*  trans-89.9149.6176.7-50.7-73.8000110.5Q188 K189 M192 V220 V224 W228F184-Q188 HydrophobicContact CB-CB 4.04Å; F184-K189 HydrophobicContact CB-CG 3.74Å; F184-M192 HydrophobicContact CD1-CE 4.48Å; F184-M192 HydrophobicContact CD1-SD 3.99Å; F184-M192 HydrophobicContact CE1-CE 4.1Å; F184-M192 HydrophobicContact CE1-SD 4.18Å; F184-M192 HydrophobicContact CE2-CE 4.48Å; F184-M192 HydrophobicContact CG-SD 4.24Å; F184-M192 HydrophobicContact CZ-CE 4.1Å; F184-V220 HydrophobicContact CD1-CG2 3.92Å; F184-V220 HydrophobicContact CE1-CG1 3.82Å; F184-V220 HydrophobicContact CE1-CG2 3.96Å; F184-V224 HydrophobicContact CE1-CG1 3.74Å; F184-V224 HydrophobicContact CZ-CG1 3.5Å; F184-V224 VanDerWaalsContact CZ-CG1 3.5Å; F184-W228 AromaticContact CE2-CD1 3.64Å; F184-W228 HydrophobicContact CE2-CG 4.37Å
185T94.4Very high83.8Confident64 Ų64116.1 Ų116.139%0.39353%0.529SS..  trans-63.7159.3167.368.90000110.3E187 Q188 K189T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.91Å; T185-Q188 PolarHBondContact O-N 3.49Å; T185-Q188 VanDerWaalsContact OG1-CB 3.31Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.22Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.24Å; T185-Q188 PolarHBondContact OG1-N 3.38Å; T185-K189 WeakPolarHBondContact O-CG 3.25Å; T185-K189 PolarHBondContact O-N 3.41Å; T185-K189 VanDerWaalsContact O-N 3.09Å
186P93.7Very high85.5Confident106 Ų106106.7 Ų106.769%0.68849%0.488SS*.Hα-helixtrans-56.4-46173.921.6-32.6000111.8K189 E190P186-K189 WeakPolarHBondContact O-CB 3.49Å; P186-K189 PolarHBondContact O-N 3.31Å; P186-K189 VanDerWaalsContact O-N 3.13Å; P186-E190 PolarHBondContact O-N 2.69Å
187E95Very high87.5Confident130 Ų130108.5 Ų108.561%0.60748%0.479SS*.Hα-helixtrans-57-47.3175.1-178.8-174.3-165.500112.9T185 K189 E190 R191T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.91Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.8Å; E187-E190 WeakPolarHBondContact O-CB 3.47Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-E190 VanDerWaalsContact O-N 3.07Å; E187-R191 PolarHBondContact O-N 3.5Å
188Q95Very high89Confident44 Ų44107.6 Ų107.621%0.20648%0.481CS..Hα-helixtrans-57.4-45.5174.2-82.1175.2-30.300111F184 T185 E190 M192 I218F184-Q188 HydrophobicContact CB-CB 4.04Å; T185-Q188 PolarHBondContact O-N 3.49Å; T185-Q188 VanDerWaalsContact OG1-CB 3.31Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.22Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.24Å; T185-Q188 PolarHBondContact OG1-N 3.38Å; Q188-E190 PolarHBondContact O-N 3.02Å; Q188-M192 VanDerWaalsContact O-CB 3.25Å; Q188-M192 WeakPolarHBondContact O-CB 3.46Å; Q188-M192 WeakPolarHBondContact O-CG 3.23Å; Q188-M192 PolarHBondContact O-N 3.49Å; Q188-I218 PolarHBondContact NE2-O 2.94Å
189K95.2Very high90Very high88 Ų88100.6 Ų100.638%0.38345%0.451SS..Hα-helixtrans-64.1-30.3178.4-64.6172-173.3174.70112.4F184 T185 P186 E187 R193F184-K189 HydrophobicContact CB-CG 3.74Å; T185-K189 WeakPolarHBondContact O-CG 3.25Å; T185-K189 PolarHBondContact O-N 3.41Å; T185-K189 VanDerWaalsContact O-N 3.09Å; P186-K189 WeakPolarHBondContact O-CB 3.49Å; P186-K189 PolarHBondContact O-N 3.31Å; P186-K189 VanDerWaalsContact O-N 3.13Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.8Å; K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.28Å; K189-R193 PolarHBondContact O-N 2.98Å; K189-R193 PolarHBondContact O-NH1 3.15Å
190E95.7Very high91Very high94 Ų9491.8 Ų91.844%0.43944%0.436SS..Hα-helixtrans-70.6-57.3179-173.9145.3-95.600111.1P186 E187 Q188 M192 R193 E194P186-E190 PolarHBondContact O-N 2.69Å; E187-E190 WeakPolarHBondContact O-CB 3.47Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-E190 VanDerWaalsContact O-N 3.07Å; Q188-E190 PolarHBondContact O-N 3.02Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-M192 VanDerWaalsContact O-N 3.15Å; E190-R193 WeakPolarHBondContact O-CA 3.34Å; E190-R193 WeakPolarHBondContact O-CB 3.46Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-R193 IonicContact OE1-NH2 2.97Å; E190-R193 PolarHBondContact OE1-NH2 3.46Å; E190-E194 PolarHBondContact O-N 3.43Å
191R95.8Very high92.1Very high100 Ų10084.6 Ų84.638%0.37740%0.403SS..Hα-helixtrans-53-39.4171.9-64.9-59.4-169.595.51.3111.9E187 E194 F195 F214 E217 I218E187-R191 PolarHBondContact O-N 3.5Å; R191-E194 WeakPolarHBondContact CD-OE2 3.41Å; R191-F195 VanDerWaalsContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.29Å; R191-F214 HydrophobicContact CB-CE2 4.16Å; R191-F214 HydrophobicContact CB-CZ 4.25Å; R191-F214 VanDerWaalsContact O-CZ 3.3Å; R191-F214 WeakPolarHBondContact O-CZ 3.49Å; R191-E217 IonicContact NH1-OE2 3.67Å; R191-E217 PolarHBondContact NH1-OE2 2.93Å; R191-I218 HydrophobicContact CB-CG2 3.91Å; R191-I218 HydrophobicContact CG-CG2 4.42Å
192M95.6Very high92.7Very high0 Ų083.5 Ų83.50%040%0.399CS..Hα-helixtrans-66.8-33.1175.1-69.6170.68000113.6F184 Q188 E190 A196 I218 V220 L225 W228F184-M192 HydrophobicContact CD1-CE 4.48Å; F184-M192 HydrophobicContact CD1-SD 3.99Å; F184-M192 HydrophobicContact CE1-CE 4.1Å; F184-M192 HydrophobicContact CE1-SD 4.18Å; F184-M192 HydrophobicContact CE2-CE 4.48Å; F184-M192 HydrophobicContact CG-SD 4.24Å; F184-M192 HydrophobicContact CZ-CE 4.1Å; Q188-M192 VanDerWaalsContact O-CB 3.25Å; Q188-M192 WeakPolarHBondContact O-CB 3.46Å; Q188-M192 WeakPolarHBondContact O-CG 3.23Å; Q188-M192 PolarHBondContact O-N 3.49Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-M192 VanDerWaalsContact O-N 3.15Å; M192-A196 VanDerWaalsContact O-CB 3.24Å; M192-A196 WeakPolarHBondContact O-CB 3.34Å; M192-A196 PolarHBondContact O-N 3.29Å; M192-A196 VanDerWaalsContact O-N 3.08Å; M192-I218 HydrophobicContact CG-CD1 3.4Å; M192-I218 VanDerWaalsContact CG-CD1 3.4Å; M192-I218 HydrophobicContact SD-CD1 4.07Å; M192-V220 HydrophobicContact CE-CG1 4.09Å; M192-V220 HydrophobicContact SD-CG1 4.48Å; M192-V220 HydrophobicContact SD-CG2 4.18Å; M192-L225 HydrophobicContact CB-CD1 4.25Å; M192-L225 HydrophobicContact CE-CB 4.38Å; M192-L225 HydrophobicContact CE-CD1 3.58Å; M192-L225 HydrophobicContact CG-CD1 4.01Å; M192-W228 HydrophobicContact CB-CD2 4.43Å; M192-W228 HydrophobicContact CB-CE3 4.05Å; M192-W228 HydrophobicContact CB-CH2 3.76Å; M192-W228 HydrophobicContact CB-CZ2 4.15Å; M192-W228 HydrophobicContact CB-CZ3 3.71Å; M192-W228 HydrophobicContact CE-CB 3.78Å; M192-W228 HydrophobicContact CE-CD2 3.52Å; M192-W228 HydrophobicContact CE-CE3 3.81Å; M192-W228 HydrophobicContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact O-CZ3 3.22Å; M192-W228 WeakPolarHBondContact O-CZ3 3.36Å
193R94.7Very high92.9Very high93 Ų9382 Ų8235%0.35139%0.388SS..Hα-helixtrans-69.6-53173.7-78.7-174.5-49.8-8211.6110.9K189 E190 F195 A196 E197 W228K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.28Å; K189-R193 PolarHBondContact O-N 2.98Å; K189-R193 PolarHBondContact O-NH1 3.15Å; E190-R193 WeakPolarHBondContact O-CA 3.34Å; E190-R193 WeakPolarHBondContact O-CB 3.46Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-R193 IonicContact OE1-NH2 2.97Å; E190-R193 PolarHBondContact OE1-NH2 3.46Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.27Å; R193-A196 CarbonylContact O-C 3.47Å; R193-A196 WeakPolarHBondContact O-CA 3.39Å; R193-A196 WeakPolarHBondContact O-CB 3.48Å; R193-A196 PolarHBondContact O-N 3.11Å; R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.04Å; R193-W228 HydrophobicContact CB-CH2 4.47Å; R193-W228 HydrophobicContact CG-CH2 3.85Å; R193-W228 HydrophobicContact CG-CZ2 4.26Å
194E94.5Very high92.8Very high99 Ų9978.4 Ų78.446%0.46337%0.374SS..Hα-helixtrans-54.3-46.6178.3-65.7166.1-178.400111.2E190 R191 A196 E197 K198E190-E194 PolarHBondContact O-N 3.43Å; R191-E194 WeakPolarHBondContact CD-OE2 3.41Å; E194-A196 PolarHBondContact O-N 3.03Å; E194-E197 PolarHBondContact O-N 3.31Å; E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.46Å
195F94.2Very high92.3Very high24 Ų2487.2 Ų87.211%0.10541%0.406CS..Hα-helixtrans-62.3-42.7175.3-177.1-88.3000111.9R191 R193 K198 Q199 L211 F214 L225 M229R191-F195 VanDerWaalsContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.29Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.27Å; F195-K198 PolarHBondContact O-N 3.43Å; F195-Q199 HydrophobicContact CD1-CG 4.04Å; F195-Q199 HydrophobicContact CE1-CG 3.61Å; F195-Q199 HydrophobicContact CE2-CG 4.22Å; F195-Q199 HydrophobicContact CG-CG 4.49Å; F195-Q199 HydrophobicContact CZ-CG 3.71Å; F195-Q199 WeakPolarHBondContact O-CB 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.48Å; F195-Q199 PolarHBondContact O-N 3.43Å; F195-L211 HydrophobicContact CE1-CD1 3.61Å; F195-L211 HydrophobicContact CZ-CB 4.24Å; F195-L211 HydrophobicContact CZ-CD1 3.6Å; F195-L211 HydrophobicContact CZ-CG 4.48Å; F195-F214 HydrophobicContact CB-CD1 4.21Å; F195-F214 HydrophobicContact CB-CD2 4.44Å; F195-F214 HydrophobicContact CB-CE1 3.59Å; F195-F214 HydrophobicContact CB-CE2 3.87Å; F195-F214 HydrophobicContact CB-CZ 3.41Å; F195-F214 VanDerWaalsContact CB-CZ 3.41Å; F195-F214 AromaticContact CD1-CD1 3.92Å; F195-F214 HydrophobicContact CD1-CD1 3.92Å; F195-F214 AromaticContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD2-CB 4.08Å; F195-F214 AromaticContact CD2-CD1 3.5Å; F195-F214 HydrophobicContact CD2-CD1 3.5Å; F195-F214 AromaticContact CD2-CD2 3.78Å; F195-F214 HydrophobicContact CD2-CD2 3.78Å; F195-F214 AromaticContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE2 4.08Å; F195-F214 AromaticContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CG 3.48Å; F195-F214 VanDerWaalsContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CZ 4.1Å; F195-F214 HydrophobicContact CE1-CD1 4.19Å; F195-F214 HydrophobicContact CE1-CE1 4.48Å; F195-F214 HydrophobicContact CE2-CB 3.87Å; F195-F214 AromaticContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD2 4.43Å; F195-F214 HydrophobicContact CE2-CE1 4.49Å; F195-F214 AromaticContact CE2-CG 3.75Å; F195-F214 HydrophobicContact CE2-CG 3.75Å; F195-F214 AromaticContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD2 4.29Å; F195-F214 AromaticContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE1 3.44Å; F195-F214 VanDerWaalsContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE2 4.17Å; F195-F214 HydrophobicContact CG-CG 4.02Å; F195-F214 AromaticContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CZ-CD1 4.13Å; F195-F214 HydrophobicContact CZ-CG 4.49Å; F195-L225 HydrophobicContact CD1-CD2 4.26Å; F195-L225 HydrophobicContact CE1-CD2 4.23Å; F195-M229 HydrophobicContact CD1-SD 4.47Å; F195-M229 HydrophobicContact CE1-SD 4.5Å
196A93.8Very high91.6Very high0 Ų091.4 Ų91.40%043%0.426CS..Hα-helixtrans-66.6-38.2179.400000112.8M192 R193 E194 Q199 G200 W201 W228 M229M192-A196 VanDerWaalsContact O-CB 3.24Å; M192-A196 WeakPolarHBondContact O-CB 3.34Å; M192-A196 PolarHBondContact O-N 3.29Å; M192-A196 VanDerWaalsContact O-N 3.08Å; R193-A196 CarbonylContact O-C 3.47Å; R193-A196 WeakPolarHBondContact O-CA 3.39Å; R193-A196 WeakPolarHBondContact O-CB 3.48Å; R193-A196 PolarHBondContact O-N 3.11Å; E194-A196 PolarHBondContact O-N 3.03Å; A196-Q199 CarbonylContact O-C 3.55Å; A196-Q199 PolarHBondContact O-N 3.36Å; A196-G200 PolarHBondContact O-N 2.92Å; A196-G200 VanDerWaalsContact O-N 3.17Å; A196-W201 HydrophobicContact CB-CD2 3.78Å; A196-W201 HydrophobicContact CB-CE3 3.82Å; A196-W201 HydrophobicContact CB-CG 4.45Å; A196-W201 HydrophobicContact CB-CH2 3.85Å; A196-W201 HydrophobicContact CB-CZ2 3.78Å; A196-W201 HydrophobicContact CB-CZ3 3.85Å; A196-W201 WeakPolarHBondContact O-CA 3.17Å; A196-W201 PolarHBondContact O-N 3.11Å; A196-W228 HydrophobicContact CB-CZ3 4.07Å; A196-M229 HydrophobicContact CB-CE 3.85Å; A196-M229 HydrophobicContact CB-CG 4.02Å; A196-M229 HydrophobicContact CB-SD 4.34Å
197E92.8Very high91.1Very high101 Ų10188.4 Ų88.447%0.47240%0.404SS..Hα-helixtrans-65.4-48.5174.7-73.3163.8-172.900111R193 E194 Q199 G200 W201 L236R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.04Å; E194-E197 PolarHBondContact O-N 3.31Å; E197-Q199 PolarHBondContact O-N 2.97Å; E197-G200 PolarHBondContact O-N 3.39Å; E197-W201 HydrophobicContact CG-CZ2 4.41Å; E197-L236 HydrophobicContact CG-CD1 4.27Å
198K92Very high90.7Very high182 Ų18285.5 Ų85.579%0.79139%0.393SS*.Hα-helixtrans-57.8-30.2174.1-172.8172.1-175.2171.60113.4E194 F195E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.46Å; F195-K198 PolarHBondContact O-N 3.43Å
199Q90.2Very high90.4Very high39 Ų3985.7 Ų85.718%0.18241%0.406CS..THydrogen-bonded Turntrans-95.211.6177.6-63.8-68.5-49.900113.5F195 A196 E197 W201 R202 M229F195-Q199 HydrophobicContact CD1-CG 4.04Å; F195-Q199 HydrophobicContact CE1-CG 3.61Å; F195-Q199 HydrophobicContact CE2-CG 4.22Å; F195-Q199 HydrophobicContact CG-CG 4.49Å; F195-Q199 HydrophobicContact CZ-CG 3.71Å; F195-Q199 WeakPolarHBondContact O-CB 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.48Å; F195-Q199 PolarHBondContact O-N 3.43Å; A196-Q199 CarbonylContact O-C 3.55Å; A196-Q199 PolarHBondContact O-N 3.36Å; E197-Q199 PolarHBondContact O-N 2.97Å; Q199-W201 PolarHBondContact O-N 3.01Å; Q199-W201 VanDerWaalsContact O-N 3.08Å; Q199-R202 PolarHBondContact O-N 2.79Å; Q199-M229 HydrophobicContact CB-CE 4.35Å
200G90.2Very high90.1Very high59 Ų5984.1 Ų84.161%0.60841%0.41SS*.THydrogen-bonded Turntrans56.529.8179.300000114A196 E197 R202A196-G200 PolarHBondContact O-N 2.92Å; A196-G200 VanDerWaalsContact O-N 3.17Å; E197-G200 PolarHBondContact O-N 3.39Å; G200-R202 PolarHBondContact O-N 3.17Å; G200-R202 VanDerWaalsContact O-N 3.12Å
201W91.7Very high89.9Confident33 Ų3379.8 Ų79.813%0.12539%0.39CS..THydrogen-bonded Turntrans55.323.4-174.6-66.979.3000115A196 E197 Q199 W228 M229 H232 K233 L236A196-W201 HydrophobicContact CB-CD2 3.78Å; A196-W201 HydrophobicContact CB-CE3 3.82Å; A196-W201 HydrophobicContact CB-CG 4.45Å; A196-W201 HydrophobicContact CB-CH2 3.85Å; A196-W201 HydrophobicContact CB-CZ2 3.78Å; A196-W201 HydrophobicContact CB-CZ3 3.85Å; A196-W201 WeakPolarHBondContact O-CA 3.17Å; A196-W201 PolarHBondContact O-N 3.11Å; E197-W201 HydrophobicContact CG-CZ2 4.41Å; Q199-W201 PolarHBondContact O-N 3.01Å; Q199-W201 VanDerWaalsContact O-N 3.08Å; W201-W228 AromaticContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CZ3 4.1Å; W201-W228 HydrophobicContact CZ3-CH2 4.35Å; W201-W228 HydrophobicContact CZ3-CZ3 4.06Å; W201-M229 HydrophobicContact CE3-CB 4.46Å; W201-H232 HydrophobicContact CH2-CB 3.88Å; W201-H232 HydrophobicContact CZ3-CB 3.55Å; W201-K233 HydrophobicContact CB-CB 4.23Å; W201-K233 HydrophobicContact CB-CD 4.05Å; W201-K233 HydrophobicContact CB-CG 3.77Å; W201-K233 HydrophobicContact CD2-CB 4.44Å; W201-K233 VanDerWaalsContact CE3-CA 3.46Å; W201-K233 HydrophobicContact CE3-CB 3.94Å; W201-K233 HydrophobicContact CG-CG 4.36Å; W201-L236 HydrophobicContact CZ2-CD1 3.65Å; W201-L236 HydrophobicContact CZ2-CD2 4.48Å; W201-L236 HydrophobicContact CZ2-CG 3.93Å
202R90.8Very high89.8Confident197 Ų19778.3 Ų78.374%0.74339%0.389SS*.  trans-140.5105.8-178.9-177.4179.2-179.9163.1-1.1111.2Q199 G200 Q204Q199-R202 PolarHBondContact O-N 2.79Å; G200-R202 PolarHBondContact O-N 3.17Å; G200-R202 VanDerWaalsContact O-N 3.12Å; R202-Q204 PolarHBondContact O-N 3.08Å
203I85.7Confident89.7Confident48 Ų4887.8 Ų87.825%0.24643%0.425CS..  trans-62.2119.1170.6-64.7164.3000109.6L211 K226 M229I203-L211 HydrophobicContact CB-CD2 4.3Å; I203-L211 HydrophobicContact CD1-CD2 3.87Å; I203-L211 HydrophobicContact CG1-CD2 3.93Å; I203-L211 HydrophobicContact CG2-CD2 3.39Å; I203-K226 HydrophobicContact CD1-CB 3.82Å; I203-K226 HydrophobicContact CD1-CG 4.1Å; I203-M229 HydrophobicContact CD1-SD 3.81Å; I203-M229 HydrophobicContact CG1-CE 4.09Å; I203-M229 HydrophobicContact CG1-SD 3.77Å
204Q84.8Confident89.7Confident116 Ų11684.6 Ų84.654%0.54241%0.414SS..  trans-84.1161169.3-46.1-172.97600110.5R202 D207R202-Q204 PolarHBondContact O-N 3.08Å; Q204-D207 WeakPolarHBondContact CB-OD2 3.42Å; Q204-D207 WeakPolarHBondContact CG-OD2 3.47Å; Q204-D207 PolarHBondContact NE2-OD2 3.38Å
205R82Confident89.7Confident215 Ų21580 Ų8081%0.81139%0.393SS*.SBendtrans-73.2-29.2176.7-170.1178.4-179.5-171.8-1112.7D207 D208R205-D207 VanDerWaalsContact C-N 3.31Å; R205-D207 PolarHBondContact O-N 3.01Å; R205-D208 VanDerWaalsContact O-OD2 3.06Å
206N81.1Confident89.8Confident151 Ų15185 Ų8581%0.80742%0.42SS*.THydrogen-bonded Turntrans-76.5-22.8-175.7-64.314.5000112.3D208N206-D208 PolarHBondContact O-N 3.35Å
207D82.7Confident89.9Confident43 Ų4391.3 Ų91.323%0.2345%0.45CS..THydrogen-bonded Turntrans-84.311.6-178.1-61.1-52.8000113.2Q204 R205 G209 A210 L211Q204-D207 WeakPolarHBondContact CB-OD2 3.42Å; Q204-D207 WeakPolarHBondContact CG-OD2 3.47Å; Q204-D207 PolarHBondContact NE2-OD2 3.38Å; R205-D207 VanDerWaalsContact C-N 3.31Å; R205-D207 PolarHBondContact O-N 3.01Å; D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact O-N 2.87Å; D207-A210 PolarHBondContact O-N 3.43Å; D207-A210 VanDerWaalsContact O-N 3.16Å; D207-L211 VanDerWaalsContact O-CB 3.31Å; D207-L211 WeakPolarHBondContact O-CB 3.41Å; D207-L211 PolarHBondContact O-N 3.12Å
208D86.1Confident90Very high70 Ų7087.3 Ų87.337%0.37443%0.432SS..Hα-helixtrans-50.5-47.8-178-86.5-36.2000111.5R205 N206 A210 L211 D212 R222R205-D208 VanDerWaalsContact O-OD2 3.06Å; N206-D208 PolarHBondContact O-N 3.35Å; D208-A210 PolarHBondContact O-N 3.18Å; D208-L211 PolarHBondContact O-N 3.26Å; D208-D212 PolarHBondContact O-N 3.02Å; D208-R222 PolarHBondContact O-NH2 2.87Å; D208-R222 IonicContact OD1-CZ 2.65Å; D208-R222 IonicContact OD1-NH1 3.75Å; D208-R222 PolarHBondContact OD1-NH1 3.17Å
209G89.3Confident90.1Very high47 Ų4781.6 Ų81.649%0.48542%0.424SS..Hα-helixtrans-68.4-32.6-178.800000115.5D207 R213D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact O-N 2.87Å; G209-R213 WeakPolarHBondContact O-CG 3.31Å; G209-R213 PolarHBondContact O-N 2.81Å
210A88.3Confident90.3Very high55 Ų5580.1 Ų80.146%0.45542%0.418SS..Hα-helixtrans-74.2-38.4175.300000111.1D207 D208 F214D207-A210 PolarHBondContact O-N 3.43Å; D207-A210 VanDerWaalsContact O-N 3.16Å; D208-A210 PolarHBondContact O-N 3.18Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 3.33Å; A210-F214 VanDerWaalsContact O-N 3.1Å
211L91.3Very high90.5Very high3 Ų385.3 Ų85.32%0.01642%0.424CS..Hα-helixtrans-67.3-33.9176.9176.457.2000112.5F195 I203 D207 D208 C215 R222 L225F195-L211 HydrophobicContact CE1-CD1 3.61Å; F195-L211 HydrophobicContact CZ-CB 4.24Å; F195-L211 HydrophobicContact CZ-CD1 3.6Å; F195-L211 HydrophobicContact CZ-CG 4.48Å; I203-L211 HydrophobicContact CB-CD2 4.3Å; I203-L211 HydrophobicContact CD1-CD2 3.87Å; I203-L211 HydrophobicContact CG1-CD2 3.93Å; I203-L211 HydrophobicContact CG2-CD2 3.39Å; D207-L211 VanDerWaalsContact O-CB 3.31Å; D207-L211 WeakPolarHBondContact O-CB 3.41Å; D207-L211 PolarHBondContact O-N 3.12Å; D208-L211 PolarHBondContact O-N 3.26Å; L211-C215 VanDerWaalsContact O-CB 3.31Å; L211-C215 WeakPolarHBondContact O-CB 3.29Å; L211-C215 PolarHBondContact O-N 3.09Å; L211-C215 PolarHBondContact O-SG 3.05Å; L211-R222 VanDerWaalsContact C-NH2 3.32Å; L211-L225 HydrophobicContact CD1-CD2 3.47Å; L211-L225 VanDerWaalsContact CD1-CD2 3.47Å; L211-L225 HydrophobicContact CD1-CG 4.43Å
212D93.5Very high90.6Very high69 Ų6986.6 Ų86.637%0.36943%0.429SS..Hα-helixtrans-69.5-49.2177-83.2-32.4000110.4D208 F214 C215 D216 R222D208-D212 PolarHBondContact O-N 3.02Å; D212-F214 VanDerWaalsContact C-N 3.28Å; D212-F214 PolarHBondContact O-N 3.31Å; D212-C215 WeakPolarHBondContact O-CB 3.27Å; D212-C215 PolarHBondContact O-N 3.06Å; D212-D216 PolarHBondContact O-N 3.36Å; D212-R222 IonicContact OD1-CZ 3.61Å; D212-R222 IonicContact OD1-NE 2.7Å; D212-R222 PolarHBondContact OD1-NE 3.4Å; D212-R222 IonicContact OD1-NH2 2.62Å; D212-R222 PolarHBondContact OD1-NH2 3.35Å; D212-R222 IonicContact OD2-CZ 2.84Å; D212-R222 IonicContact OD2-NE 3.15Å; D212-R222 IonicContact OD2-NH2 3.18Å; D212-R222 PolarHBondContact OD2-NH2 3.47Å; D212-R222 VanDerWaalsContact OD2-NH2 3.15Å
213R93.4Very high90.6Very high200 Ų20083 Ų8376%0.75542%0.42SS*.Hα-helixtrans-54.3-44.6175.9-69.2176.2-179-126.41.4112.3G209 D216 E217G209-R213 WeakPolarHBondContact O-CG 3.31Å; G209-R213 PolarHBondContact O-N 2.81Å; R213-D216 PolarHBondContact O-N 3.08Å; R213-E217 PolarHBondContact O-N 2.86Å
214F95Very high91Very high26 Ų2682.9 Ų82.911%0.11442%0.422CS..Hα-helixtrans-62.8-46.5175.2175.2-107.1000112.3R191 F195 A210 D212 D216 E217 I218 L225R191-F214 HydrophobicContact CB-CE2 4.16Å; R191-F214 HydrophobicContact CB-CZ 4.25Å; R191-F214 VanDerWaalsContact O-CZ 3.3Å; R191-F214 WeakPolarHBondContact O-CZ 3.49Å; F195-F214 HydrophobicContact CB-CD1 4.21Å; F195-F214 HydrophobicContact CB-CD2 4.44Å; F195-F214 HydrophobicContact CB-CE1 3.59Å; F195-F214 HydrophobicContact CB-CE2 3.87Å; F195-F214 HydrophobicContact CB-CZ 3.41Å; F195-F214 VanDerWaalsContact CB-CZ 3.41Å; F195-F214 AromaticContact CD1-CD1 3.92Å; F195-F214 HydrophobicContact CD1-CD1 3.92Å; F195-F214 AromaticContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD2-CB 4.08Å; F195-F214 AromaticContact CD2-CD1 3.5Å; F195-F214 HydrophobicContact CD2-CD1 3.5Å; F195-F214 AromaticContact CD2-CD2 3.78Å; F195-F214 HydrophobicContact CD2-CD2 3.78Å; F195-F214 AromaticContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE2 4.08Å; F195-F214 AromaticContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CG 3.48Å; F195-F214 VanDerWaalsContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CZ 4.1Å; F195-F214 HydrophobicContact CE1-CD1 4.19Å; F195-F214 HydrophobicContact CE1-CE1 4.48Å; F195-F214 HydrophobicContact CE2-CB 3.87Å; F195-F214 AromaticContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD2 4.43Å; F195-F214 HydrophobicContact CE2-CE1 4.49Å; F195-F214 AromaticContact CE2-CG 3.75Å; F195-F214 HydrophobicContact CE2-CG 3.75Å; F195-F214 AromaticContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD2 4.29Å; F195-F214 AromaticContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE1 3.44Å; F195-F214 VanDerWaalsContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE2 4.17Å; F195-F214 HydrophobicContact CG-CG 4.02Å; F195-F214 AromaticContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CZ-CD1 4.13Å; F195-F214 HydrophobicContact CZ-CG 4.49Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 3.33Å; A210-F214 VanDerWaalsContact O-N 3.1Å; D212-F214 VanDerWaalsContact C-N 3.28Å; D212-F214 PolarHBondContact O-N 3.31Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.76Å; F214-E217 PolarHBondContact O-N 2.92Å; F214-I218 HydrophobicContact CD1-CD1 4.38Å; F214-I218 HydrophobicContact CD2-CG2 4.3Å; F214-I218 HydrophobicContact CE1-CD1 3.63Å; F214-I218 HydrophobicContact CE1-CG1 4.38Å; F214-I218 HydrophobicContact CE2-CG2 3.74Å; F214-I218 HydrophobicContact CZ-CD1 3.7Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 HydrophobicContact CZ-CG2 3.95Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-I218 VanDerWaalsContact O-N 3.11Å; F214-L225 HydrophobicContact CD1-CD2 3.63Å; F214-L225 HydrophobicContact CE1-CD1 4.47Å; F214-L225 HydrophobicContact CE1-CD2 3.55Å
215C95.3Very high91.4Very high3 Ų377.4 Ų77.42%0.0240%0.396CS..Hα-helixtrans-59-39.9177.8-75.20000112.9L211 D212 G219 V220 R222L211-C215 VanDerWaalsContact O-CB 3.31Å; L211-C215 WeakPolarHBondContact O-CB 3.29Å; L211-C215 PolarHBondContact O-N 3.09Å; L211-C215 PolarHBondContact O-SG 3.05Å; D212-C215 WeakPolarHBondContact O-CB 3.27Å; D212-C215 PolarHBondContact O-N 3.06Å; C215-G219 PolarHBondContact O-N 3.25Å; C215-G219 VanDerWaalsContact O-N 3.11Å; C215-V220 WeakPolarHBondContact CA-O 3.42Å; C215-V220 WeakPolarHBondContact CB-O 3.38Å; C215-V220 PolarHBondContact O-N 3.16Å; C215-V220 PolarHBondContact SG-O 3.2Å; C215-R222 VanDerWaalsContact SG-CA 3.52Å
216D95.2Very high92Very high127 Ų12772.7 Ų72.768%0.67938%0.382SS*.Hα-helixtrans-69.5-43.3178.2-67.2-25.3000111.3D212 R213 F214 G219D212-D216 PolarHBondContact O-N 3.36Å; R213-D216 PolarHBondContact O-N 3.08Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.76Å; D216-G219 PolarHBondContact O-N 2.81Å
217E95.8Very high92.5Very high134 Ų13469.6 Ų69.663%0.62637%0.368SS*.Hα-helixtrans-58.3-48.7176.4-175-176.1-46.400112.1R191 R213 F214 G219R191-E217 IonicContact NH1-OE2 3.67Å; R191-E217 PolarHBondContact NH1-OE2 2.93Å; R213-E217 PolarHBondContact O-N 2.86Å; F214-E217 PolarHBondContact O-N 2.92Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.81Å
218I95.3Very high93Very high16 Ų1668.5 Ų68.58%0.08236%0.36CS..THydrogen-bonded Turntrans-83.4-4.2-178.969.4165.5000113.8Q188 R191 M192 F214 V220Q188-I218 PolarHBondContact NE2-O 2.94Å; R191-I218 HydrophobicContact CB-CG2 3.91Å; R191-I218 HydrophobicContact CG-CG2 4.42Å; M192-I218 HydrophobicContact CG-CD1 3.4Å; M192-I218 VanDerWaalsContact CG-CD1 3.4Å; M192-I218 HydrophobicContact SD-CD1 4.07Å; F214-I218 HydrophobicContact CD1-CD1 4.38Å; F214-I218 HydrophobicContact CD2-CG2 4.3Å; F214-I218 HydrophobicContact CE1-CD1 3.63Å; F214-I218 HydrophobicContact CE1-CG1 4.38Å; F214-I218 HydrophobicContact CE2-CG2 3.74Å; F214-I218 HydrophobicContact CZ-CD1 3.7Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 HydrophobicContact CZ-CG2 3.95Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-I218 VanDerWaalsContact O-N 3.11Å; I218-V220 HydrophobicContact CD1-CB 3.68Å; I218-V220 HydrophobicContact CD1-CG2 3.73Å; I218-V220 HydrophobicContact CG1-CB 3.82Å; I218-V220 HydrophobicContact CG1-CG2 3.9Å; I218-V220 PolarHBondContact O-N 3.24Å
219G95.2Very high93.4Very high62 Ų6265.3 Ų65.364%0.63934%0.343SS*.THydrogen-bonded Turntrans66.528.9-176.400000114.7C215 D216 E217C215-G219 PolarHBondContact O-N 3.25Å; C215-G219 VanDerWaalsContact O-N 3.11Å; D216-G219 PolarHBondContact O-N 2.81Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.81Å
220V94.6Very high93.4Very high8 Ų869.9 Ų69.95%0.04835%0.352CS..  trans-120.4117.7-178.3179.20000110.6F184 M192 C215 I218 R222 V224 L225F184-V220 HydrophobicContact CD1-CG2 3.92Å; F184-V220 HydrophobicContact CE1-CG1 3.82Å; F184-V220 HydrophobicContact CE1-CG2 3.96Å; M192-V220 HydrophobicContact CE-CG1 4.09Å; M192-V220 HydrophobicContact SD-CG1 4.48Å; M192-V220 HydrophobicContact SD-CG2 4.18Å; C215-V220 WeakPolarHBondContact CA-O 3.42Å; C215-V220 WeakPolarHBondContact CB-O 3.38Å; C215-V220 PolarHBondContact O-N 3.16Å; C215-V220 PolarHBondContact SG-O 3.2Å; I218-V220 HydrophobicContact CD1-CB 3.68Å; I218-V220 HydrophobicContact CD1-CG2 3.73Å; I218-V220 HydrophobicContact CG1-CB 3.82Å; I218-V220 HydrophobicContact CG1-CG2 3.9Å; I218-V220 PolarHBondContact O-N 3.24Å; V220-R222 PolarHBondContact O-N 2.94Å; V220-V224 HydrophobicContact CG1-CB 3.98Å; V220-V224 HydrophobicContact CG1-CG1 3.81Å; V220-L225 HydrophobicContact CG1-CB 4.32Å
221K93.6Very high93.4Very high169 Ų16972.2 Ų72.274%0.73536%0.356SS*.  trans-54.6135.5179-62.5-176.7177-174.80112.3Q223 V224 L225K221-Q223 VanDerWaalsContact C-N 3.27Å; K221-Q223 PolarHBondContact O-N 2.8Å; K221-V224 HydrophobicContact CB-CB 4.47Å; K221-V224 HydrophobicContact CB-CG2 4.15Å; K221-V224 WeakPolarHBondContact O-CA 3.2Å; K221-V224 VanDerWaalsContact O-CB 3.3Å; K221-V224 WeakPolarHBondContact O-CB 3.22Å; K221-V224 PolarHBondContact O-N 3.21Å; K221-L225 PolarHBondContact O-N 3.12Å; K221-L225 VanDerWaalsContact O-N 3.08Å
222R93.3Very high93.3Very high60 Ų6074.4 Ų74.423%0.22637%0.367CS..Hα-helixtrans-35.5-51.3172.3173.4-177.9-69.5-77-26.2114.8D208 L211 D212 C215 V220 V224 L225 K226D208-R222 PolarHBondContact O-NH2 2.87Å; D208-R222 IonicContact OD1-CZ 2.65Å; D208-R222 IonicContact OD1-NH1 3.75Å; D208-R222 PolarHBondContact OD1-NH1 3.17Å; L211-R222 VanDerWaalsContact C-NH2 3.32Å; D212-R222 IonicContact OD1-CZ 3.61Å; D212-R222 IonicContact OD1-NE 2.7Å; D212-R222 PolarHBondContact OD1-NE 3.4Å; D212-R222 IonicContact OD1-NH2 2.62Å; D212-R222 PolarHBondContact OD1-NH2 3.35Å; D212-R222 IonicContact OD2-CZ 2.84Å; D212-R222 IonicContact OD2-NE 3.15Å; D212-R222 IonicContact OD2-NH2 3.18Å; D212-R222 PolarHBondContact OD2-NH2 3.47Å; D212-R222 VanDerWaalsContact OD2-NH2 3.15Å; C215-R222 VanDerWaalsContact SG-CA 3.52Å; V220-R222 PolarHBondContact O-N 2.94Å; R222-V224 VanDerWaalsContact C-N 3.32Å; R222-V224 PolarHBondContact O-N 3.28Å; R222-L225 PolarHBondContact O-N 3.04Å; R222-K226 WeakPolarHBondContact O-CB 3.35Å; R222-K226 PolarHBondContact O-N 2.85Å
223Q91.6Very high92.9Very high122 Ų12275.9 Ų75.957%0.5737%0.37SS*.Hα-helixtrans-66.4-32.8-179.1-179.265.2-800113K221 V227K221-Q223 VanDerWaalsContact C-N 3.27Å; K221-Q223 PolarHBondContact O-N 2.8Å; Q223-V227 VanDerWaalsContact O-CG2 3.29Å; Q223-V227 WeakPolarHBondContact O-CG2 3.43Å; Q223-V227 PolarHBondContact O-N 2.88Å; Q223-V227 VanDerWaalsContact O-N 3.09Å
224V94Very high91.9Very high45 Ų4571.8 Ų71.827%0.27336%0.363SS..Hα-helixtrans-71.2-44.9176.4175.60000110.2F184 V220 K221 R222 V227 W228F184-V224 HydrophobicContact CE1-CG1 3.74Å; F184-V224 HydrophobicContact CZ-CG1 3.5Å; F184-V224 VanDerWaalsContact CZ-CG1 3.5Å; V220-V224 HydrophobicContact CG1-CB 3.98Å; V220-V224 HydrophobicContact CG1-CG1 3.81Å; K221-V224 HydrophobicContact CB-CB 4.47Å; K221-V224 HydrophobicContact CB-CG2 4.15Å; K221-V224 WeakPolarHBondContact O-CA 3.2Å; K221-V224 VanDerWaalsContact O-CB 3.3Å; K221-V224 WeakPolarHBondContact O-CB 3.22Å; K221-V224 PolarHBondContact O-N 3.21Å; R222-V224 VanDerWaalsContact C-N 3.32Å; R222-V224 PolarHBondContact O-N 3.28Å; V224-V227 PolarHBondContact O-N 3.1Å; V224-W228 VanDerWaalsContact O-CB 3.3Å; V224-W228 WeakPolarHBondContact O-CB 3.02Å; V224-W228 PolarHBondContact O-N 2.98Å
225L93.6Very high90.5Very high0 Ų073.4 Ų73.40%037%0.371CS..Hα-helixtrans-60.8-44.3173.7175.257000111.8M192 F195 L211 F214 V220 K221 R222 V227 W228 M229M192-L225 HydrophobicContact CB-CD1 4.25Å; M192-L225 HydrophobicContact CE-CB 4.38Å; M192-L225 HydrophobicContact CE-CD1 3.58Å; M192-L225 HydrophobicContact CG-CD1 4.01Å; F195-L225 HydrophobicContact CD1-CD2 4.26Å; F195-L225 HydrophobicContact CE1-CD2 4.23Å; L211-L225 HydrophobicContact CD1-CD2 3.47Å; L211-L225 VanDerWaalsContact CD1-CD2 3.47Å; L211-L225 HydrophobicContact CD1-CG 4.43Å; F214-L225 HydrophobicContact CD1-CD2 3.63Å; F214-L225 HydrophobicContact CE1-CD1 4.47Å; F214-L225 HydrophobicContact CE1-CD2 3.55Å; V220-L225 HydrophobicContact CG1-CB 4.32Å; K221-L225 PolarHBondContact O-N 3.12Å; K221-L225 VanDerWaalsContact O-N 3.08Å; R222-L225 PolarHBondContact O-N 3.04Å; L225-V227 PolarHBondContact O-N 3.35Å; L225-W228 HydrophobicContact CD1-CE3 4.03Å; L225-W228 WeakPolarHBondContact O-CB 3.48Å; L225-W228 PolarHBondContact O-N 2.95Å; L225-M229 HydrophobicContact CD1-CG 3.95Å; L225-M229 HydrophobicContact CD1-SD 4.14Å; L225-M229 HydrophobicContact CG-CG 4.47Å; L225-M229 HydrophobicContact CG-SD 4.23Å; L225-M229 WeakPolarHBondContact O-CG 3.45Å; L225-M229 PolarHBondContact O-N 2.97Å
226K93.2Very high88.9Confident117 Ų11776.3 Ų76.351%0.50939%0.386SS..Hα-helixtrans-58.5-44.7175.5179.6174.3179175.10113I203 R222 H230I203-K226 HydrophobicContact CD1-CB 3.82Å; I203-K226 HydrophobicContact CD1-CG 4.1Å; R222-K226 WeakPolarHBondContact O-CB 3.35Å; R222-K226 PolarHBondContact O-N 2.85Å; K226-H230 WeakPolarHBondContact O-CB 3.39Å; K226-H230 PolarHBondContact O-N 2.78Å; K226-H230 VanDerWaalsContact O-N 3.08Å
227V92Very high87.1Confident85 Ų8573.3 Ų73.352%0.51538%0.378SS..Hα-helixtrans-67.9-37.7176170.30000111.2Q223 V224 L225 H230 N231Q223-V227 VanDerWaalsContact O-CG2 3.29Å; Q223-V227 WeakPolarHBondContact O-CG2 3.43Å; Q223-V227 PolarHBondContact O-N 2.88Å; Q223-V227 VanDerWaalsContact O-N 3.09Å; V224-V227 PolarHBondContact O-N 3.1Å; L225-V227 PolarHBondContact O-N 3.35Å; V227-H230 PolarHBondContact O-N 3.06Å; V227-N231 WeakPolarHBondContact O-CB 3.1Å; V227-N231 PolarHBondContact O-N 3.21Å
228W93.8Very high85.2Confident20 Ų2068.4 Ų68.48%0.07636%0.359CS..Hα-helixtrans-64.5-49.9176.3179.787.6000111.9F184 M192 R193 A196 W201 V224 L225 H230 N231 H232F184-W228 AromaticContact CE2-CD1 3.64Å; F184-W228 HydrophobicContact CE2-CG 4.37Å; M192-W228 HydrophobicContact CB-CD2 4.43Å; M192-W228 HydrophobicContact CB-CE3 4.05Å; M192-W228 HydrophobicContact CB-CH2 3.76Å; M192-W228 HydrophobicContact CB-CZ2 4.15Å; M192-W228 HydrophobicContact CB-CZ3 3.71Å; M192-W228 HydrophobicContact CE-CB 3.78Å; M192-W228 HydrophobicContact CE-CD2 3.52Å; M192-W228 HydrophobicContact CE-CE3 3.81Å; M192-W228 HydrophobicContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact O-CZ3 3.22Å; M192-W228 WeakPolarHBondContact O-CZ3 3.36Å; R193-W228 HydrophobicContact CB-CH2 4.47Å; R193-W228 HydrophobicContact CG-CH2 3.85Å; R193-W228 HydrophobicContact CG-CZ2 4.26Å; A196-W228 HydrophobicContact CB-CZ3 4.07Å; W201-W228 AromaticContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CZ3 4.1Å; W201-W228 HydrophobicContact CZ3-CH2 4.35Å; W201-W228 HydrophobicContact CZ3-CZ3 4.06Å; V224-W228 VanDerWaalsContact O-CB 3.3Å; V224-W228 WeakPolarHBondContact O-CB 3.02Å; V224-W228 PolarHBondContact O-N 2.98Å; L225-W228 HydrophobicContact CD1-CE3 4.03Å; L225-W228 WeakPolarHBondContact O-CB 3.48Å; L225-W228 PolarHBondContact O-N 2.95Å; W228-H230 VanDerWaalsContact C-N 3.3Å; W228-H230 PolarHBondContact O-N 3.08Å; W228-N231 PolarHBondContact O-N 3.42Å; W228-H232 AromaticContact CD1-CD2 3.4Å; W228-H232 AromaticContact CD1-NE2 3.58Å; W228-H232 AromaticContact CD2-CD2 3.88Å; W228-H232 AromaticContact CE2-CD2 3.44Å; W228-H232 VanDerWaalsContact CE2-CD2 3.44Å; W228-H232 AromaticContact CE2-CG 3.97Å; W228-H232 AromaticContact CE2-NE2 3.85Å; W228-H232 AromaticContact CG-CD2 3.88Å; W228-H232 HydrophobicContact CZ2-CB 4.45Å; W228-H232 AromaticContact NE1-CD2 3.1Å; W228-H232 PolarHBondContact NE1-CD2 3.46Å; W228-H232 AromaticContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact NE1-NE2 3.16Å; W228-H232 VanDerWaalsContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact O-CD2 2.84Å; W228-H232 PolarHBondContact O-N 2.9Å
229M93.5Very high83.6Confident4 Ų471.8 Ų71.82%0.0238%0.377CS..Hα-helixtrans-57.9-42.8175.2-71.8179.268.500111.2F195 A196 Q199 W201 I203 L225 N231 H232 K233F195-M229 HydrophobicContact CD1-SD 4.47Å; F195-M229 HydrophobicContact CE1-SD 4.5Å; A196-M229 HydrophobicContact CB-CE 3.85Å; A196-M229 HydrophobicContact CB-CG 4.02Å; A196-M229 HydrophobicContact CB-SD 4.34Å; Q199-M229 HydrophobicContact CB-CE 4.35Å; W201-M229 HydrophobicContact CE3-CB 4.46Å; I203-M229 HydrophobicContact CD1-SD 3.81Å; I203-M229 HydrophobicContact CG1-CE 4.09Å; I203-M229 HydrophobicContact CG1-SD 3.77Å; L225-M229 HydrophobicContact CD1-CG 3.95Å; L225-M229 HydrophobicContact CD1-SD 4.14Å; L225-M229 HydrophobicContact CG-CG 4.47Å; L225-M229 HydrophobicContact CG-SD 4.23Å; L225-M229 WeakPolarHBondContact O-CG 3.45Å; L225-M229 PolarHBondContact O-N 2.97Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.09Å; M229-H232 PolarHBondContact O-N 2.97Å; M229-K233 VanDerWaalsContact O-CB 3.31Å; M229-K233 WeakPolarHBondContact O-CB 3.31Å; M229-K233 PolarHBondContact O-N 2.82Å
230H89.2Confident81.9Confident142 Ų14272.3 Ų72.366%0.65737%0.371SS*.Hα-helixtrans-61.5-37.7175.6179.179.9000112.9K226 V227 W228K226-H230 WeakPolarHBondContact O-CB 3.39Å; K226-H230 PolarHBondContact O-N 2.78Å; K226-H230 VanDerWaalsContact O-N 3.08Å; V227-H230 PolarHBondContact O-N 3.06Å; W228-H230 VanDerWaalsContact C-N 3.3Å; W228-H230 PolarHBondContact O-N 3.08Å
231N89.3Confident80.2Confident104 Ų10476.6 Ų76.656%0.55640%0.397SS*.Hα-helixtrans-73.3-40.4178.8-169.6-109.3000112.7V227 W228 M229V227-N231 WeakPolarHBondContact O-CB 3.1Å; V227-N231 PolarHBondContact O-N 3.21Å; W228-N231 PolarHBondContact O-N 3.42Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.09Å
232H88.1Confident78.5Confident49 Ų4971 Ų7123%0.22738%0.383CS..Hα-helixtrans-89.8-16.5-174.3-77.4-87.9000114.5W201 W228 M229 N234 Q235W201-H232 HydrophobicContact CH2-CB 3.88Å; W201-H232 HydrophobicContact CZ3-CB 3.55Å; W228-H232 AromaticContact CD1-CD2 3.4Å; W228-H232 AromaticContact CD1-NE2 3.58Å; W228-H232 AromaticContact CD2-CD2 3.88Å; W228-H232 AromaticContact CE2-CD2 3.44Å; W228-H232 VanDerWaalsContact CE2-CD2 3.44Å; W228-H232 AromaticContact CE2-CG 3.97Å; W228-H232 AromaticContact CE2-NE2 3.85Å; W228-H232 AromaticContact CG-CD2 3.88Å; W228-H232 HydrophobicContact CZ2-CB 4.45Å; W228-H232 AromaticContact NE1-CD2 3.1Å; W228-H232 PolarHBondContact NE1-CD2 3.46Å; W228-H232 AromaticContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact NE1-NE2 3.16Å; W228-H232 VanDerWaalsContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact O-CD2 2.84Å; W228-H232 PolarHBondContact O-N 2.9Å; M229-H232 PolarHBondContact O-N 2.97Å; H232-N234 PolarHBondContact O-N 3.41Å; H232-Q235 PolarHBondContact CE1-OE1 3.22Å; H232-Q235 PolarHBondContact ND1-OE1 3.28Å; H232-Q235 WeakPolarHBondContact O-CB 3.32Å; H232-Q235 PolarHBondContact O-N 3.14Å
233K86.2Confident76.8Confident101 Ų10171 Ų7144%0.43940%0.395SS..Hα-helixtrans-49.9-38.1179.6179.6176.566.8157.20114W201 M229 Q235W201-K233 HydrophobicContact CB-CB 4.23Å; W201-K233 HydrophobicContact CB-CD 4.05Å; W201-K233 HydrophobicContact CB-CG 3.77Å; W201-K233 HydrophobicContact CD2-CB 4.44Å; W201-K233 VanDerWaalsContact CE3-CA 3.46Å; W201-K233 HydrophobicContact CE3-CB 3.94Å; W201-K233 HydrophobicContact CG-CG 4.36Å; M229-K233 VanDerWaalsContact O-CB 3.31Å; M229-K233 WeakPolarHBondContact O-CB 3.31Å; M229-K233 PolarHBondContact O-N 2.82Å; K233-Q235 VanDerWaalsContact C-N 3.33Å
234N72Confident75.1Confident113 Ų11368.3 Ų68.360%0.60439%0.394SS*.Hα-helixtrans-82.9-9.6-178.1-65.117.8000113.1H232 S238H232-N234 PolarHBondContact O-N 3.41Å; N234-S238 PolarHBondContact O-N 3.24Å; N234-S238 PolarHBondContact O-OG 2.97Å
235Q65.7Low73.5Confident60 Ų6068.5 Ų68.528%0.2840%0.4SS..Hα-helixtrans-75.8-32.6-179.9-67.1-172.9-5.800112.7H232 K233 S238 N239H232-Q235 PolarHBondContact CE1-OE1 3.22Å; H232-Q235 PolarHBondContact ND1-OE1 3.28Å; H232-Q235 WeakPolarHBondContact O-CB 3.32Å; H232-Q235 PolarHBondContact O-N 3.14Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; Q235-S238 WeakPolarHBondContact CA-OG 3.31Å; Q235-S238 PolarHBondContact O-N 2.65Å; Q235-S238 PolarHBondContact O-OG 2.85Å; Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 3.09Å; Q235-N239 PolarHBondContact O-OD1 2.77Å
236L61.9Low71.8Confident65 Ų6572 Ų7234%0.3443%0.429SS..Hα-helixtrans-65.4-41.5175.3-64.8-166.5000111.9E197 W201 S238 N239 S240E197-L236 HydrophobicContact CG-CD1 4.27Å; W201-L236 HydrophobicContact CZ2-CD1 3.65Å; W201-L236 HydrophobicContact CZ2-CD2 4.48Å; W201-L236 HydrophobicContact CZ2-CG 3.93Å; L236-S238 VanDerWaalsContact C-N 3.27Å; L236-S238 PolarHBondContact O-N 2.97Å; L236-N239 PolarHBondContact O-N 2.91Å; L236-S240 PolarHBondContact O-N 2.8Å; L236-S240 PolarHBondContact O-OG 2.66Å
237A58.1Low70.1Confident63 Ų6370.3 Ų70.352%0.52144%0.437SS..Hα-helixtrans-66.2-26.2176.200000113.4S240 V241A237-S240 PolarHBondContact O-OG 3.31Å; A237-V241 VanDerWaalsContact O-CG2 3.28Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å
238S55.4Low68.4Low31 Ų3169.4 Ų69.422%0.21744%0.444CS..Hα-helixtrans-85.3-31.2171.350.90000112.9N234 Q235 L236 V241 A242N234-S238 PolarHBondContact O-N 3.24Å; N234-S238 PolarHBondContact O-OG 2.97Å; Q235-S238 WeakPolarHBondContact CA-OG 3.31Å; Q235-S238 PolarHBondContact O-N 2.65Å; Q235-S238 PolarHBondContact O-OG 2.85Å; L236-S238 VanDerWaalsContact C-N 3.27Å; L236-S238 PolarHBondContact O-N 2.97Å; S238-V241 PolarHBondContact O-N 3.26Å; S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.91Å
239N60.8Low66.7Low88 Ų8873.6 Ų73.647%0.47147%0.467SS..Hα-helixtrans-70.5-38.8177.6-74.55.9000111.9Q235 L236 A242 A243Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 3.09Å; Q235-N239 PolarHBondContact O-OD1 2.77Å; L236-N239 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.85Å; N239-A243 WeakPolarHBondContact O-CB 3.29Å; N239-A243 PolarHBondContact O-N 3.01Å
240S59.6Low64.2Low73 Ų7376.3 Ų76.351%0.5150%0.497SS..Hα-helixtrans-65-40.617456.30000112L236 A237 A244L236-S240 PolarHBondContact O-N 2.8Å; L236-S240 PolarHBondContact O-OG 2.66Å; A237-S240 PolarHBondContact O-OG 3.31Å; S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.15Å
241V59.8Low62.3Low98 Ų9876.8 Ų76.859%0.59450%0.503SS*.Hα-helixtrans-70.1-37.2175.5176.30000111.9A237 S238 A245A237-V241 VanDerWaalsContact O-CG2 3.28Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å; S238-V241 PolarHBondContact O-N 3.26Å; V241-A245 VanDerWaalsContact O-CB 3.27Å; V241-A245 WeakPolarHBondContact O-CB 3.26Å; V241-A245 PolarHBondContact O-N 2.84Å
242A58.6Low60.6Low52 Ų5276.3 Ų76.343%0.4351%0.508SS..Hα-helixtrans-70.6-39.317600000112.5S238 N239 A245 A246S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.85Å; A242-A245 PolarHBondContact O-N 2.99Å; A242-A246 WeakPolarHBondContact O-CB 3.24Å; A242-A246 PolarHBondContact O-N 2.7Å
243A56.5Low58.7Low60 Ų6080.3 Ų80.350%0.49654%0.538SS..Hα-helixtrans-66.6-42.8173.400000111.3N239 A245 A246 A247N239-A243 WeakPolarHBondContact O-CB 3.29Å; N239-A243 PolarHBondContact O-N 3.01Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.66Å; A243-A246 PolarHBondContact O-N 3.47Å; A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.72Å
244A57Low56.8Low65 Ų6579.9 Ų79.954%0.53755%0.554SS.*Hα-helixtrans-63.9-36.2173.400000112.4S240 G248S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.15Å; A244-G248 PolarHBondContact O-N 3.24Å
245A58.7Low55.5Low48 Ų4879.4 Ų79.440%0.39757%0.565SS.*Hα-helixtrans-67.3-41172.600000111.9V241 A242 A243 G248 I249V241-A245 VanDerWaalsContact O-CB 3.27Å; V241-A245 WeakPolarHBondContact O-CB 3.26Å; V241-A245 PolarHBondContact O-N 2.84Å; A242-A245 PolarHBondContact O-N 2.99Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.66Å; A245-G248 PolarHBondContact O-N 3.3Å; A245-I249 WeakPolarHBondContact O-CB 3.45Å; A245-I249 WeakPolarHBondContact O-CD1 3.44Å; A245-I249 WeakPolarHBondContact O-CG1 3.24Å; A245-I249 PolarHBondContact O-N 3.48Å
246A57.7Low54.4Low73 Ų7380.2 Ų80.260%0.60359%0.59SS**Hα-helixtrans-67.1-37.9176.500000112.6A242 A243A242-A246 WeakPolarHBondContact O-CB 3.24Å; A242-A246 PolarHBondContact O-N 2.7Å; A243-A246 PolarHBondContact O-N 3.47Å
247A58Low53.9Low82 Ų8282 Ų8268%0.67861%0.614SS**Hα-helixtrans-74.7-34.2175.100000112.9A243A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.72Å
248G56.6Low53.4Low66 Ų6682.5 Ų82.568%0.6863%0.625SS**Hα-helixtrans-75.6-26.817700000113.8A244 A245 G250A244-G248 PolarHBondContact O-N 3.24Å; A245-G248 PolarHBondContact O-N 3.3Å; G248-G250 VanDerWaalsContact C-N 3.29Å; G248-G250 PolarHBondContact O-N 2.62Å
249I57.7Low52.8Low108 Ų10887.8 Ų87.855%0.55466%0.657SS**SBendtrans-86.477.5166.3-55.5161.9000107.3A245 L251A245-I249 WeakPolarHBondContact O-CB 3.45Å; A245-I249 WeakPolarHBondContact O-CD1 3.44Å; A245-I249 WeakPolarHBondContact O-CG1 3.24Å; A245-I249 PolarHBondContact O-N 3.48Å; I249-L251 HydrophobicContact CG2-CD1 3.67Å; I249-L251 HydrophobicContact CG2-CG 3.94Å; I249-L251 PolarHBondContact O-N 2.96Å
250G41.8Very low52.3Low62 Ų6288.4 Ų88.464%0.63967%0.674SS**  trans-6473.2175.800000112.8G248 S252G248-G250 VanDerWaalsContact C-N 3.29Å; G248-G250 PolarHBondContact O-N 2.62Å; G250-S252 PolarHBondContact O-N 3.21Å
251L48.1Very low51.8Low152 Ų15292 Ų9280%0.79669%0.693SS**  trans-77.264.3168.8-82.2155.4000109.3I249I249-L251 HydrophobicContact CG2-CD1 3.67Å; I249-L251 HydrophobicContact CG2-CG 3.94Å; I249-L251 PolarHBondContact O-N 2.96Å
252S53.6Low51.6Low94 Ų9490.8 Ų90.866%0.65770%0.7SS**  trans-54.9134.3162.3-53.50000108.5G250 A254G250-S252 PolarHBondContact O-N 3.21Å; S252-A254 PolarHBondContact O-N 3.02Å
253P49.6Very low51.3Low133 Ų13395.6 Ų95.686%0.86472%0.724SS**  trans-72.974.7172.530.8-33.8000109.3A255P253-A255 PolarHBondContact O-N 2.91Å
254A45Very low51.1Low92 Ų9296.2 Ų96.276%0.7674%0.736SS**  trans-71.2110.1-178.300000110.3S252S252-A254 PolarHBondContact O-N 3.02Å
255A46.3Very low51Low102 Ų102100.4 Ų100.484%0.84376%0.755SS**  trans-70.7140.2170.700000111.4P253P253-A255 PolarHBondContact O-N 2.91Å
256G42.1Very low50.7Low77 Ų77101.7 Ų101.779%0.79477%0.773SS**  trans91.1115.6155.500000117.8
257A50.5Low50.6Low103 Ų103105.5 Ų105.585%0.85179%0.788SS**  169.5116.7106.500000112.5
258G47.1Very low50.2Low74 Ų74104.8 Ų104.876%0.76379%0.789SS**  trans64.8137.4160.900000117.6
259T44.1Very low50.2Low142 Ų142110 Ų11087%0.87180%0.8SS**  cis-158.8121.915-45.10000107.8
260A50.3Low50Low100 Ų100111.5 Ų111.583%0.82681%0.814SS**  trans-145.4109.5174.600000110.5G262A260-G262 PolarHBondContact O-N 3.3Å
261T49.1Very low50.7Low149 Ų149112.3 Ų112.391%0.91482%0.822SS**  trans-70114.7173.6-550000109.4
262G55.3Low50.8Low72 Ų72112.5 Ų112.574%0.74282%0.824SS**  trans-165.194.5-179.400000112.6A260A260-G262 PolarHBondContact O-N 3.3Å
263T51.8Low50.8Low154 Ų154111 Ų11195%0.94582%0.824SS**  trans-71.6124.1180-34.20000111.1
264G52.4Low51.3Low72 Ų72111.7 Ų111.774%0.74282%0.82SS**  trans-174.9100.5175.800000113.4
265T55.1Low51.9Low154 Ų154113.7 Ų113.795%0.94582%0.818SS**  trans-76.4132.3-179.740.70000112.9
266G51.9Low52.7Low74 Ų74115.2 Ų115.276%0.76381%0.812SS**  trans-164.493.317800000113.7
267V56.3Low53.6Low153 Ų153119.4 Ų119.493%0.92782%0.816SS**  trans-32.4139.4174.2-178.60000115.5
268G50.2Low54.1Low67 Ų67122 Ų12269%0.69182%0.816SS**  trans-102.4-170.2-176.500000116.3
269I56.2Low55Low177 Ų177124.9 Ų124.991%0.90881%0.814SS**  trans-138143.2168.950.2166.9000109.5
270T54.4Low55.9Low138 Ų138126 Ų12685%0.84781%0.814SS**  trans-95.1156.9-178.746.10000111.9
271G55Low56.9Low79 Ų79126.7 Ų126.781%0.81481%0.809SS**  trans-166.486.8174.700000111
272D50.7Low57.9Low157 Ų157125.9 Ų125.984%0.8480%0.798SS**  trans-84.9164170.1-66.6-94.9000111.2
273G53.9Low58.6Low63 Ų63129.7 Ų129.765%0.64980%0.802SS**  trans130.196.3177.800000110.9
274D59.6Low59.6Low147 Ų147126.2 Ų126.279%0.78678%0.784SS**  cis100.3143.448.9-76.4-38.4000111.4
275D58.1Low60.5Low134 Ų134127.6 Ų127.672%0.71778%0.78SS**  trans55.3112.8166.1-64.6-146.9000117.3
276D61.7Low61.4Low133 Ų133126 Ų12671%0.71177%0.772SS**  94.113764.6-80.9-41000112.2
277D61Low61.5Low165 Ų165134.9 Ų134.988%0.88278%0.783SS**  trans159.1104.4144.8-88-31.8000110.5
278D62.9Low61.7Low158 Ų158132 Ų13285%0.84578%0.775SS**  trans-78131.9166.3-65.1-71.3000110.3
279D64.8Low62.1Low135 Ų135133.1 Ų133.172%0.72278%0.778SS**  trans-132.483.6167.6-155.3-48.3000111.3T281D279-T281 PolarHBondContact O-N 3.19Å; D279-T281 PolarHBondContact OD1-OG1 2.81Å
280D63.1Low62.2Low164 Ų164130.6 Ų130.688%0.87777%0.77SS**  trans-76.482.7167.9-90.2-50.3000110.4D282D280-D282 PolarHBondContact O-N 3.35Å
281T71.5Confident62.6Low116 Ų116129.6 Ų129.671%0.71277%0.769SS**  trans-83.687.4176-22.80000112.6D279 D283D279-T281 PolarHBondContact O-N 3.19Å; D279-T281 PolarHBondContact OD1-OG1 2.81Å; T281-D283 PolarHBondContact O-N 2.98Å
282D70.3Confident63.3Low131 Ų131131.1 Ų131.170%0.70177%0.767SS**  trans-73.895.9167.7-173-88.3000111.1D280 S284D280-D282 PolarHBondContact O-N 3.35Å; D282-S284 VanDerWaalsContact C-N 3.31Å; D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.5Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 3.33Å
283D70Confident64.3Low152 Ų152129.4 Ų129.481%0.81377%0.765SS**  trans-84.671.1171.2-167-113.2000111.2T281T281-D283 PolarHBondContact O-N 2.98Å
284S71.4Confident65.2Low82 Ų82131.6 Ų131.657%0.57377%0.77SS**PPolyproline II helixtrans-77.6120.1168.3-79.40000111.2D282D282-S284 VanDerWaalsContact C-N 3.31Å; D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.5Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 3.33Å
285P73.2Confident66Low100 Ų100130.6 Ų130.665%0.64977%0.771SS**PPolyproline II helixtrans-70.1142.8-175.827.2-35000112.6R287P285-R287 PolarHBondContact O-N 3.19Å
286P73Confident66.9Low122 Ų122129.6 Ų129.679%0.79278%0.775SS**PPolyproline II helixtrans-68.6118-173.126.4-34.7000112.5A288P286-A288 PolarHBondContact O-N 3.08Å
287R53.9Low67.5Low259 Ų259129 Ų12998%0.97778%0.779SS**  trans-87.380.9167.5-57-164.484.8-175.37.1110.6P285P285-R287 PolarHBondContact O-N 3.19Å
288A60.4Low67.6Low92 Ų92129.1 Ų129.176%0.7678%0.777SS**  trans-139.9145167.600000109P286P286-A288 PolarHBondContact O-N 3.08Å
289A58.1Low67.9Low91 Ų91126.8 Ų126.875%0.75277%0.773SS**  cis-140.91651.400000111.5
290V58.8Low67.7Low125 Ų125130.6 Ų130.676%0.75880%0.801SS**  trans-49.5136.6168.650.10000113.2
291S63.6Low68Low116 Ų116128.9 Ų128.981%0.81180%0.797SS**  trans-157.694.4153.7-82.30000109.3P293S291-P293 WeakPolarHBondContact O-CD 3.14Å
292S69.9Low67.8Low112 Ų112129.6 Ų129.678%0.78380%0.801SS**  trans-98.6114.1172.5-58.30000109.8
293P71.9Confident67.6Low121 Ų121129.5 Ų129.579%0.78681%0.807SS**PPolyproline II helixtrans-76.2143.6165.4-14.631.6000111S291S291-P293 WeakPolarHBondContact O-CD 3.14Å
294S70.8Confident67.5Low108 Ų108128.2 Ų128.276%0.75581%0.807SS**PPolyproline II helixtrans-60.2152.1-171.2-510000115.4
295P77.5Confident67.2Low126 Ų126131.1 Ų131.182%0.81882%0.821SS**PPolyproline II helixtrans-68.1136.3159.230.6-33.1000110.6
296S77.2Confident66.9Low113 Ų113133.1 Ų133.179%0.7983%0.833SS**PPolyproline II helixtrans-66150.7175-56.60000112.2
297P73.7Confident66.4Low122 Ų122133.9 Ų133.979%0.79284%0.836SS**PPolyproline II helixtrans-73.6154.7-17730.8-36.1000113.2
298I63Low67.4Low167 Ų167124.3 Ų124.386%0.85683%0.825SS**PPolyproline II helixtrans-60.2141.5166.2-104.8167.9000110.1
299S69.4Low67.9Low109 Ų109127 Ų12776%0.76283%0.83SS**  trans-113.5124.4159.3-75.90000109.3
300V61.6Low68.8Low214 Ų214130.3 Ų130.3100%1.29784%0.837SS**  trans33.50155.6-170.30000116.9

Retrieved 300 of 300 residues in 107.7 ms (Link to these results)