A0A3Q0KS80_SCHMA Loading...

Rna-binding protein related

AlphaFold DB , UniProt , Accession A0A3Q0KS80, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 862 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
1M40.2Very low46.4Very low249 Ų249150.4 Ų150.4100%1.22780%0.803SS**  084.60-75-66.1-141.800109
2G49.7Very low46.2Very low68 Ų68148 Ų14870%0.70180%0.798SS**  cis-129.9159.1-9.300000109.6
3E43.3Very low45.3Very low188 Ų188147.9 Ų147.988%0.87979%0.786SS**PPolyproline II helixtrans-64.4136.6174.8-74.3136.884.200111.1
4V57.2Low44.4Very low133 Ų133145.1 Ų145.181%0.80678%0.784SS**PPolyproline II helixtrans-80.2119.9159.1178.20000105.9E6V4-E6 PolarHBondContact O-N 3.31Å
5P48.6Very low44Very low105 Ų105145.8 Ų145.868%0.68279%0.786SS**PPolyproline II helixtrans-68.6124-17827.1-33.5000110K7P5-K7 PolarHBondContact O-N 3.44Å
6E42.9Very low43.7Very low192 Ų192143.6 Ų143.690%0.89778%0.781SS**  trans-63.6101.7172.3-172.2174.1-139.800109.1V4 S8V4-E6 PolarHBondContact O-N 3.31Å; E6-S8 PolarHBondContact O-N 3.15Å; E6-S8 VanDerWaalsContact O-N 3.11Å
7K47.2Very low43.2Very low188 Ų188145.2 Ų145.282%0.81778%0.782SS**  trans-72.9105.1177.7-90.5-169.8171.9-174.80109.1P5 D9P5-K7 PolarHBondContact O-N 3.44Å; K7-D9 PolarHBondContact O-N 3.35Å
8S41.5Very low42.9Very low91 Ų91146.4 Ų146.464%0.63678%0.775SS**  trans-50.9120.1179.861.40000113.2E6 K10E6-S8 PolarHBondContact O-N 3.15Å; E6-S8 VanDerWaalsContact O-N 3.11Å; S8-K10 PolarHBondContact O-N 2.93Å
9D49.2Very low42.5Very low146 Ų146143.7 Ų143.778%0.78177%0.765SS**  trans-65.986.5176.7-74.7-63.2000112.4K7K7-D9 PolarHBondContact O-N 3.35Å
10K48Very low42.5Very low163 Ų163148.8 Ų148.871%0.70977%0.773SS**  trans-124.8-1.4175.2-68.3-170.3175.1179.50114.8S8S8-K10 PolarHBondContact O-N 2.93Å
11D42.6Very low43Very low131 Ų131148 Ų14870%0.70176%0.761SS**  trans-119.625.2177.1-70.1-50.3000114K13D11-K13 PolarHBondContact O-N 3.35Å; D11-K13 IonicContact OD1-NZ 3Å; D11-K13 PolarHBondContact OD1-NZ 3.31Å
12V44.8Very low43.6Very low122 Ų122147.3 Ų147.374%0.73974%0.744SS**  trans-73.259.6158.5-168.90000109.4
13K33.6Very low44.1Very low147 Ų147151.7 Ų151.764%0.63975%0.746SS**  trans-95.9126.2176.1-77.9174-171.51300109.8D11D11-K13 PolarHBondContact O-N 3.35Å; D11-K13 IonicContact OD1-NZ 3Å; D11-K13 PolarHBondContact OD1-NZ 3.31Å
14S33.7Very low45.7Very low109 Ų109146.2 Ų146.276%0.76272%0.721SS**  trans55.367.8167.853.70000116.8
15L37.4Very low47.1Very low155 Ų155145.4 Ų145.481%0.81271%0.711SS**SBend-57.3131.1119.8-102.6145.9000106.2Q17L15-Q17 PolarHBondContact O-N 3.44Å; L15-Q17 VanDerWaalsContact O-N 3.07Å
16P39.4Very low49.1Very low110 Ų110141 Ų14171%0.71468%0.681SS**PPolyproline II helixtrans-55.3124.3179.223.7-33.5000108.1Y18P16-Y18 PolarHBondContact O-N 3.13Å
17Q34.8Very low51.4Low171 Ų171133.8 Ų133.880%0.79965%0.647SS**PPolyproline II helixtrans-51.2137.2174.6-70.8173.6-26.200107.6L15 T19L15-Q17 PolarHBondContact O-N 3.44Å; L15-Q17 VanDerWaalsContact O-N 3.07Å; Q17-T19 PolarHBondContact O-N 3.1Å; Q17-T19 PolarHBondContact O-OG1 3.15Å
18Y38.5Very low53.6Low167 Ų167124.9 Ų124.966%0.65561%0.609SS**  trans-70.869.6162.2-170.3-95.3000107.1P16 R20P16-Y18 PolarHBondContact O-N 3.13Å; Y18-R20 PolarHBondContact O-N 3.28Å
19T36.1Very low56.1Low96 Ų96121 Ų12159%0.58958%0.58SS**  trans-51.6132.1179.9-59.60000106.9Q17 R21Q17-T19 PolarHBondContact O-N 3.1Å; Q17-T19 PolarHBondContact O-OG1 3.15Å; T19-R21 PolarHBondContact O-N 2.9Å
20R41.4Very low58.2Low245 Ų245114.3 Ų114.393%0.92555%0.545SS*.  trans-59.559.6-164.9-165.1-176.9-176.1-176.12.4114.2Y18Y18-R20 PolarHBondContact O-N 3.28Å
21R52.6Low60.4Low133 Ų133106.8 Ų106.850%0.50251%0.512SS..  trans-62.9141.3170.5-66.9-158.1-83.3149-10.5107.4T19 Q23 E24T19-R21 PolarHBondContact O-N 2.9Å; R21-Q23 PolarHBondContact O-N 2.91Å; R21-E24 WeakPolarHBondContact CD-OE1 3.14Å; R21-E24 IonicContact CZ-OE1 2.92Å; R21-E24 IonicContact CZ-OE2 2.71Å; R21-E24 IonicContact NE-OE1 3.84Å; R21-E24 IonicContact NH1-OE1 3.7Å; R21-E24 PolarHBondContact NH1-OE1 3.18Å; R21-E24 IonicContact NH1-OE2 3.52Å; R21-E24 PolarHBondContact NH1-OE2 3.35Å
22R54Low62.8Low233 Ų233100.6 Ų100.688%0.87948%0.479SS*.  trans-49.6133.7172.7-62.5171.8178.6145.5-2.6107.1E24R22-E24 WeakPolarHBondContact O-CG 3.22Å; R22-E24 PolarHBondContact O-N 2.93Å
23Q58.5Low65.1Low161 Ų16195.6 Ų95.675%0.75245%0.449SS*.  trans-51.2101.7-174.9-74.9174.7-34.500110.9R21 I25 T81R21-Q23 PolarHBondContact O-N 2.91Å; Q23-I25 PolarHBondContact O-N 2.98Å; Q23-T81 HydrophobicContact CB-CG2 4.13Å; Q23-T81 HydrophobicContact CG-CG2 4.46Å
24E77.2Confident67.7Low73 Ų7391.1 Ų91.134%0.34144%0.436SS..  trans-75.4124.3-168.7-58.1-172169.800108.7R21 R22 I26R21-E24 WeakPolarHBondContact CD-OE1 3.14Å; R21-E24 IonicContact CZ-OE1 2.92Å; R21-E24 IonicContact CZ-OE2 2.71Å; R21-E24 IonicContact NE-OE1 3.84Å; R21-E24 IonicContact NH1-OE1 3.7Å; R21-E24 PolarHBondContact NH1-OE1 3.18Å; R21-E24 IonicContact NH1-OE2 3.52Å; R21-E24 PolarHBondContact NH1-OE2 3.35Å; R22-E24 WeakPolarHBondContact O-CG 3.22Å; R22-E24 PolarHBondContact O-N 2.93Å; E24-I26 PolarHBondContact O-N 3.04Å; E24-I26 VanDerWaalsContact O-N 3.16Å
25I86.8Confident70.3Confident115 Ų11589.2 Ų89.259%0.5942%0.42SS*.  trans-78.3105.2-179-58.5178.2000107.4Q23Q23-I25 PolarHBondContact O-N 2.98Å
26I90.6Very high72.9Confident14 Ų1481.9 Ų81.97%0.07238%0.382CS..EExtended strand (participates in β ladder)trans-88.7145.7179.2-67.5154.4000109E24 Q79 G80 L82 L229 I232 A233E24-I26 PolarHBondContact O-N 3.04Å; E24-I26 VanDerWaalsContact O-N 3.16Å; I26-Q79 WeakPolarHBondContact O-CA 3.5Å; I26-G80 PolarHBondContact N-O 3.24Å; I26-G80 PolarHBondContact O-N 3.4Å; I26-G80 VanDerWaalsContact O-N 3.11Å; I26-L82 HydrophobicContact CD1-CB 3.69Å; I26-L82 HydrophobicContact CD1-CD1 4Å; I26-L82 HydrophobicContact CD1-CG 4.38Å; I26-L229 HydrophobicContact CG2-CD2 4.46Å; I26-I232 HydrophobicContact CG2-CG2 3.86Å; I26-A233 HydrophobicContact CD1-CB 3.62Å; I26-A233 HydrophobicContact CG1-CB 4.21Å
27H91.6Very high75.4Confident39 Ų3976.8 Ų76.818%0.18135%0.348CS..EExtended strand (participates in β ladder)trans-116.7115.1176.8-64.7-55.2000109.7L77 I78 Q79H27-L77 HydrophobicContact CB-CD1 4.34Å; H27-I78 WeakPolarHBondContact CA-O 3.39Å; H27-Q79 PolarHBondContact CE1-NE2 3.23Å; H27-Q79 WeakPolarHBondContact ND1-CB 3.4Å; H27-Q79 WeakPolarHBondContact ND1-CG 3.32Å; H27-Q79 PolarHBondContact ND1-NE2 3.05Å
28L93.6Very high78.2Confident1 Ų171.1 Ų71.11%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-110.9133175.317866.6000109.2I30 I78 V85 H89 I167 L229 I232L28-I30 HydrophobicContact CD2-CD1 3.96Å; L28-I30 HydrophobicContact CD2-CG1 4.01Å; L28-I30 HydrophobicContact CG-CG1 4.06Å; L28-I78 HydrophobicContact CD2-CD1 4.26Å; L28-I78 PolarHBondContact N-O 3.48Å; L28-I78 PolarHBondContact O-N 3.18Å; L28-V85 HydrophobicContact CB-CG1 3.61Å; L28-V85 HydrophobicContact CD2-CG1 3.71Å; L28-V85 HydrophobicContact CG-CG1 4.28Å; L28-H89 HydrophobicContact CD2-CB 4.24Å; L28-I167 HydrophobicContact CD1-CD1 4.11Å; L28-I167 HydrophobicContact CD1-CG1 4.15Å; L28-I167 HydrophobicContact CD1-CG2 3.77Å; L28-L229 HydrophobicContact CB-CD2 4.35Å; L28-L229 HydrophobicContact CD1-CD2 4.1Å; L28-L229 HydrophobicContact CD2-CD2 4.18Å; L28-L229 HydrophobicContact CG-CD2 4.43Å; L28-I232 HydrophobicContact CD1-CD1 3.91Å
29K93.5Very high80.8Confident9 Ų964 Ų644%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-111.5132.9169.8-71.7-175.1-168.7177.50110.7V75 C76 L77 I167 L168 E209 Y241 A243 Y246K29-V75 HydrophobicContact CD-CG1 4.35Å; K29-C76 CarbonylContact C-O 3.57Å; K29-C76 WeakPolarHBondContact CA-O 3.48Å; K29-L77 HydrophobicContact CG-CD1 3.69Å; K29-I167 CarbonylContact O-C 3.59Å; K29-I167 VanDerWaalsContact O-CA 3.31Å; K29-I167 WeakPolarHBondContact O-CA 3.46Å; K29-L168 HydrophobicContact CB-CB 3.79Å; K29-L168 HydrophobicContact CB-CD1 4.44Å; K29-L168 HydrophobicContact CB-CG 4.41Å; K29-L168 HydrophobicContact CD-CB 4.24Å; K29-L168 HydrophobicContact CD-CD1 4.28Å; K29-L168 PolarHBondContact O-N 3.47Å; K29-E209 WeakPolarHBondContact CD-OE1 3.3Å; K29-E209 VanDerWaalsContact CE-OE1 3.31Å; K29-E209 WeakPolarHBondContact CE-OE1 3.12Å; K29-E209 IonicContact NZ-OE1 2.68Å; K29-E209 PolarHBondContact NZ-OE1 3.04Å; K29-E209 IonicContact NZ-OE2 2.67Å; K29-E209 PolarHBondContact NZ-OE2 2.88Å; K29-Y241 WeakPolarHBondContact CE-O 3.45Å; K29-Y241 PolarHBondContact NZ-O 3.16Å; K29-A243 VanDerWaalsContact CE-O 3.22Å; K29-A243 WeakPolarHBondContact CE-O 3.27Å; K29-A243 PolarHBondContact NZ-O 2.79Å; K29-Y246 PolarHBondContact NZ-OH 2.92Å
30I94.2Very high83.5Confident7 Ų759.4 Ų59.44%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-122.3141.5178.6-52.4174.9000108.4L28 V32 C76 I78 I92 K166L28-I30 HydrophobicContact CD2-CD1 3.96Å; L28-I30 HydrophobicContact CD2-CG1 4.01Å; L28-I30 HydrophobicContact CG-CG1 4.06Å; I30-V32 HydrophobicContact CB-CG2 4.47Å; I30-V32 HydrophobicContact CG2-CG2 4.07Å; I30-C76 PolarHBondContact N-O 2.88Å; I30-C76 PolarHBondContact O-N 3.33Å; I30-I78 HydrophobicContact CD1-CD1 3.64Å; I30-I78 HydrophobicContact CG1-CD1 4.44Å; I30-I92 HydrophobicContact CD1-CD1 4.01Å; I30-I92 HydrophobicContact CD1-CG2 4.47Å; I30-K166 CarbonylContact C-O 3.52Å; I30-K166 WeakPolarHBondContact CA-O 3.47Å; I30-K166 WeakPolarHBondContact CG2-O 3.3Å
31L93.5Very high86.1Confident5 Ų550.3 Ų50.33%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-91123.7164.2-62.9-175.1000109.3Y68 T71 E73 V75 K166 L168L31-Y68 HydrophobicContact CD1-CD1 3.89Å; L31-Y68 HydrophobicContact CD1-CE1 4.45Å; L31-Y68 HydrophobicContact CD1-CG 4.1Å; L31-Y68 HydrophobicContact CD2-CD1 4.46Å; L31-Y68 HydrophobicContact CD2-CD2 4.21Å; L31-Y68 HydrophobicContact CD2-CG 3.83Å; L31-T71 HydrophobicContact CD1-CG2 4.37Å; L31-E73 HydrophobicContact CB-CB 4.11Å; L31-V75 HydrophobicContact CD2-CB 4.43Å; L31-V75 HydrophobicContact CD2-CG2 3.71Å; L31-K166 HydrophobicContact CB-CB 3.84Å; L31-K166 HydrophobicContact CB-CD 4.31Å; L31-K166 HydrophobicContact CD1-CB 4.4Å; L31-K166 HydrophobicContact CD1-CD 3.96Å; L31-K166 HydrophobicContact CG-CB 4.36Å; L31-K166 PolarHBondContact N-O 2.96Å; L31-L168 HydrophobicContact CD1-CD2 4.07Å; L31-L168 HydrophobicContact CD2-CD1 3.91Å; L31-L168 HydrophobicContact CD2-CD2 4.27Å; L31-L168 HydrophobicContact CD2-CG 4.1Å; L31-L168 HydrophobicContact CG-CD2 4.07Å; L31-L168 HydrophobicContact CG-CG 4.15Å
32V93.4Very high88Confident1 Ų145 Ų451%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-116.3128.7-175.7-177.10000109.2I30 A36 V37 I40 E73 R74 C76 I92 V96I30-V32 HydrophobicContact CB-CG2 4.47Å; I30-V32 HydrophobicContact CG2-CG2 4.07Å; V32-A36 HydrophobicContact CG1-CB 4.18Å; V32-V37 HydrophobicContact CB-CG2 4.17Å; V32-V37 HydrophobicContact CG1-CG2 3.67Å; V32-I40 HydrophobicContact CG1-CD1 3.54Å; V32-E73 WeakPolarHBondContact O-CA 3.39Å; V32-R74 PolarHBondContact N-O 2.99Å; V32-R74 PolarHBondContact O-N 3.24Å; V32-C76 HydrophobicContact CG2-CB 3.79Å; V32-I92 HydrophobicContact CG2-CG2 4.18Å; V32-V96 HydrophobicContact CG1-CG2 4.42Å
33P91.9Very high89.9Confident17 Ų1743.1 Ų43.111%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-64.1142.6176.227.4-34.1000110.5V35 A36 V96P33-V35 PolarHBondContact O-N 3.12Å; P33-V35 VanDerWaalsContact O-N 3.12Å; P33-A36 HydrophobicContact CG-CB 4.04Å; P33-A36 PolarHBondContact O-N 3.43Å; P33-A36 VanDerWaalsContact O-N 3.08Å; P33-V96 HydrophobicContact CG-CG1 4.27Å; P33-V96 HydrophobicContact CG-CG2 4.4Å
34S89Confident91.5Very high52 Ų5240 Ų4036%0.36425%0.249SC..THydrogen-bonded Turntrans-63-26-165.1-730000114.2E72S34-E72 PolarHBondContact OG-O 2.64Å
35V89.1Confident92.3Very high70 Ų7037.5 Ų37.542%0.42424%0.242SC..THydrogen-bonded Turntrans-70.8-38.3174.9-54.70000113.3P33 V37 G38 E101P33-V35 PolarHBondContact O-N 3.12Å; P33-V35 VanDerWaalsContact O-N 3.12Å; V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 3.4Å; V35-G38 PolarHBondContact O-N 3.35Å; V35-E101 VanDerWaalsContact CG1-OE2 3.22Å; V35-E101 WeakPolarHBondContact CG1-OE2 3.4Å; V35-E101 VanDerWaalsContact CG2-CD 3.45Å; V35-E101 HydrophobicContact CG2-CG 4.37Å; V35-E101 WeakPolarHBondContact CG2-OE1 3.46Å
36A90.7Very high92.8Very high1 Ų139.2 Ų39.21%0.00825%0.248CC..THydrogen-bonded Turntrans-70.6-25.1-176.500000112.4V32 P33 G38 A39 I40 V96V32-A36 HydrophobicContact CG1-CB 4.18Å; P33-A36 HydrophobicContact CG-CB 4.04Å; P33-A36 PolarHBondContact O-N 3.43Å; P33-A36 VanDerWaalsContact O-N 3.08Å; A36-G38 PolarHBondContact O-N 3.13Å; A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.08Å; A36-I40 HydrophobicContact CB-CD1 4.47Å; A36-I40 PolarHBondContact O-N 3.2Å; A36-I40 VanDerWaalsContact O-N 3.13Å; A36-V96 HydrophobicContact CB-CB 4.4Å; A36-V96 HydrophobicContact CB-CG2 3.67Å
37V93Very high93Very high2 Ų240.3 Ų40.31%0.01226%0.257CS..Hα-helixtrans-56.8-34.3177.7176.40000112.3V32 V35 A39 I40 I41 L61 R74V32-V37 HydrophobicContact CB-CG2 4.17Å; V32-V37 HydrophobicContact CG1-CG2 3.67Å; V35-V37 VanDerWaalsContact C-N 3.27Å; V35-V37 PolarHBondContact O-N 3.4Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.99Å; V37-I40 PolarHBondContact O-N 3.4Å; V37-I41 HydrophobicContact CG1-CD1 3.62Å; V37-I41 HydrophobicContact CG1-CG1 4.19Å; V37-I41 WeakPolarHBondContact O-CG1 3.2Å; V37-I41 PolarHBondContact O-N 3.42Å; V37-L61 HydrophobicContact CB-CD2 4.4Å; V37-L61 HydrophobicContact CG1-CD2 3.48Å; V37-L61 VanDerWaalsContact CG1-CD2 3.48Å; V37-L61 HydrophobicContact CG2-CD2 4.2Å; V37-R74 HydrophobicContact CG2-CB 4.27Å
38G92.6Very high93.1Very high52 Ų5239.4 Ų39.454%0.53625%0.253SS..Hα-helixtrans-63.9-33.117600000113.6V35 A36 G42V35-G38 PolarHBondContact O-N 3.35Å; A36-G38 PolarHBondContact O-N 3.13Å; G38-G42 PolarHBondContact O-N 3.47Å; G38-G42 VanDerWaalsContact O-N 3.16Å
39A92.7Very high93.3Very high17 Ų1742 Ų4214%0.1428%0.275CS..Hα-helixtrans-74.6-44.9175.100000111.9A36 V37 I41 G42 C95 K99A36-A39 WeakPolarHBondContact O-CB 3.42Å; A36-A39 PolarHBondContact O-N 3.08Å; V37-A39 VanDerWaalsContact C-N 3.3Å; V37-A39 PolarHBondContact O-N 2.99Å; A39-I41 VanDerWaalsContact C-N 3.35Å; A39-I41 PolarHBondContact O-N 3.16Å; A39-G42 PolarHBondContact O-N 3.06Å; A39-C95 HydrophobicContact CB-CB 4.36Å; A39-K99 HydrophobicContact CB-CD 3.99Å
40I94.4Very high93.4Very high1 Ų147.5 Ų47.51%0.00530%0.299CS..Hα-helixtrans-62.8-41.1-177.5-65.6158.7000111.2V32 A36 V37 I59 I92 C95V32-I40 HydrophobicContact CG1-CD1 3.54Å; A36-I40 HydrophobicContact CB-CD1 4.47Å; A36-I40 PolarHBondContact O-N 3.2Å; A36-I40 VanDerWaalsContact O-N 3.13Å; V37-I40 PolarHBondContact O-N 3.4Å; I40-I59 HydrophobicContact CG2-CD1 4.33Å; I40-I92 HydrophobicContact CD1-CG1 4.39Å; I40-I92 HydrophobicContact CD1-CG2 3.95Å; I40-I92 HydrophobicContact CG2-CG1 4.23Å; I40-C95 HydrophobicContact CD1-CB 4.34Å; I40-C95 HydrophobicContact CG1-CB 3.54Å
41I94.6Very high93.5Very high54 Ų5448.1 Ų48.128%0.27730%0.302SS..Hα-helixtrans-70.6-45.7174.6-63.2173.2000110.7V37 A39 G45 S47 I48 L61V37-I41 HydrophobicContact CG1-CD1 3.62Å; V37-I41 HydrophobicContact CG1-CG1 4.19Å; V37-I41 WeakPolarHBondContact O-CG1 3.2Å; V37-I41 PolarHBondContact O-N 3.42Å; A39-I41 VanDerWaalsContact C-N 3.35Å; A39-I41 PolarHBondContact O-N 3.16Å; I41-G45 CarbonylContact O-C 3.57Å; I41-G45 WeakPolarHBondContact O-CA 3.37Å; I41-S47 PolarHBondContact O-N 2.74Å; I41-I48 HydrophobicContact CG1-CD1 4.45Å; I41-I48 HydrophobicContact CG2-CG2 4.24Å; I41-I48 PolarHBondContact O-N 3.44Å; I41-L61 HydrophobicContact CD1-CD2 4.48Å; I41-L61 HydrophobicContact CG1-CD2 4.48Å
42G92.7Very high93.6Very high22 Ų2251 Ų5123%0.22732%0.315CS..  trans74175.3-173.300000113.5G38 A39 G44 G45G38-G42 PolarHBondContact O-N 3.47Å; G38-G42 VanDerWaalsContact O-N 3.16Å; A39-G42 PolarHBondContact O-N 3.06Å; G42-G44 PolarHBondContact O-N 3.37Å; G42-G45 PolarHBondContact O-N 3.04Å
43K93.9Very high93.7Very high192 Ų19260 Ų6084%0.83535%0.354SS*.G310 helixtrans-62.1129.4178-63.1177.4-176.9175.90109.3G45 E46K43-G45 PolarHBondContact O-N 3.31Å; K43-E46 WeakPolarHBondContact O-CB 3.38Å; K43-E46 PolarHBondContact O-N 3.19Å
44G93.6Very high93.8Very high96 Ų9664.3 Ų64.399%0.9937%0.373SS*.G310 helixtrans61.27.1-18000000116.4G42 E46G42-G44 PolarHBondContact O-N 3.37Å; G44-E46 VanDerWaalsContact C-N 3.32Å
45G93.8Very high94.1Very high20 Ų2062.3 Ų62.321%0.20636%0.359CS..G310 helixtrans78.310.1-170.400000114.9I41 G42 K43 S47 I48 A49I41-G45 CarbonylContact O-C 3.57Å; I41-G45 WeakPolarHBondContact O-CA 3.37Å; G42-G45 PolarHBondContact O-N 3.04Å; K43-G45 PolarHBondContact O-N 3.31Å; G45-S47 PolarHBondContact O-N 3.3Å; G45-I48 VanDerWaalsContact O-CG2 3.25Å; G45-I48 WeakPolarHBondContact O-CG2 3.25Å; G45-A49 WeakPolarHBondContact O-CB 3.34Å; G45-A49 PolarHBondContact O-N 2.93Å
46E95.6Very high94.3Very high152 Ų15262 Ų6271%0.7137%0.369SS*.Hα-helixtrans-59.9-44.6-178.9-174.8-174177.100111.9K43 G44 A49 K50K43-E46 WeakPolarHBondContact O-CB 3.38Å; K43-E46 PolarHBondContact O-N 3.19Å; G44-E46 VanDerWaalsContact C-N 3.32Å; E46-A49 PolarHBondContact O-N 2.65Å; E46-K50 WeakPolarHBondContact O-CB 3.22Å; E46-K50 PolarHBondContact O-N 3.08Å
47S95Very high94.5Very high36 Ų3662 Ų6225%0.25237%0.369SS..Hα-helixtrans-66.8-45.5-175.4-152.90000112.2I41 G45 A49 K50 I51 Y91I41-S47 PolarHBondContact O-N 2.74Å; G45-S47 PolarHBondContact O-N 3.3Å; S47-A49 VanDerWaalsContact C-N 3.32Å; S47-A49 PolarHBondContact O-N 3.07Å; S47-K50 PolarHBondContact O-N 3.31Å; S47-I51 WeakPolarHBondContact O-CG2 3.39Å; S47-I51 PolarHBondContact O-N 2.88Å; S47-I51 VanDerWaalsContact O-N 3.08Å; S47-Y91 PolarHBondContact OG-OH 3.33Å
48I95.4Very high94.5Very high21 Ų2170.5 Ų70.511%0.10840%0.401CS..Hα-helixtrans-68.2-29.5176.2-164.8170.1000112.6I41 G45 Q52 I59 L61I41-I48 HydrophobicContact CG1-CD1 4.45Å; I41-I48 HydrophobicContact CG2-CG2 4.24Å; I41-I48 PolarHBondContact O-N 3.44Å; G45-I48 VanDerWaalsContact O-CG2 3.25Å; G45-I48 WeakPolarHBondContact O-CG2 3.25Å; I48-Q52 WeakPolarHBondContact O-CB 3.29Å; I48-Q52 WeakPolarHBondContact O-CG 3.48Å; I48-Q52 PolarHBondContact O-N 3.12Å; I48-Q52 PolarHBondContact O-NE2 3.24Å; I48-Q52 VanDerWaalsContact O-NE2 3.15Å; I48-I59 HydrophobicContact CD1-CD1 4.13Å; I48-I59 HydrophobicContact CD1-CG1 4.29Å; I48-I59 HydrophobicContact CD1-CG2 3.77Å; I48-I59 HydrophobicContact CG1-CD1 4.48Å; I48-I59 HydrophobicContact CG1-CG2 3.53Å; I48-L61 HydrophobicContact CD1-CD1 3.55Å
49A96Very high94.6Very high56 Ų5668.6 Ų68.646%0.46338%0.379SS..Hα-helixtrans-71.8-40.117300000112.1G45 E46 S47 K53G45-A49 WeakPolarHBondContact O-CB 3.34Å; G45-A49 PolarHBondContact O-N 2.93Å; E46-A49 PolarHBondContact O-N 2.65Å; S47-A49 VanDerWaalsContact C-N 3.32Å; S47-A49 PolarHBondContact O-N 3.07Å; A49-K53 PolarHBondContact O-N 3.02Å; A49-K53 VanDerWaalsContact O-N 3.16Å
50K96.2Very high94.6Very high124 Ų12472.7 Ų72.754%0.53939%0.393SS..Hα-helixtrans-59.4-55.6175.3178.6-175.5170.4-1750111.5E46 S47 Q52 K53 E54E46-K50 WeakPolarHBondContact O-CB 3.22Å; E46-K50 PolarHBondContact O-N 3.08Å; S47-K50 PolarHBondContact O-N 3.31Å; K50-Q52 VanDerWaalsContact C-N 3.3Å; K50-Q52 PolarHBondContact O-N 2.84Å; K50-K53 WeakPolarHBondContact O-CA 3.17Å; K50-K53 WeakPolarHBondContact O-CB 3.27Å; K50-K53 PolarHBondContact O-N 2.73Å; K50-E54 VanDerWaalsContact CE-CD 3.47Å; K50-E54 WeakPolarHBondContact CE-OE1 3.21Å; K50-E54 WeakPolarHBondContact CE-OE2 3.39Å; K50-E54 HydrophobicContact CG-CG 4.47Å; K50-E54 IonicContact NZ-OE1 3.84Å; K50-E54 WeakPolarHBondContact O-CG 3.36Å; K50-E54 PolarHBondContact O-N 3.25Å
51I95.7Very high94.6Very high19 Ų1974.6 Ų74.610%0.09740%0.403CS..Hα-helixtrans-66.6-29.8-177-168.165.7000112.6S47 E54 T55 M88 Y91S47-I51 WeakPolarHBondContact O-CG2 3.39Å; S47-I51 PolarHBondContact O-N 2.88Å; S47-I51 VanDerWaalsContact O-N 3.08Å; I51-E54 PolarHBondContact O-N 2.99Å; I51-T55 HydrophobicContact CD1-CG2 3.83Å; I51-T55 HydrophobicContact CG1-CG2 4.03Å; I51-T55 WeakPolarHBondContact O-CB 3.48Å; I51-T55 WeakPolarHBondContact O-CG2 2.81Å; I51-T55 PolarHBondContact O-N 3.34Å; I51-T55 PolarHBondContact O-OG1 3.35Å; I51-M88 HydrophobicContact CB-SD 4.43Å; I51-M88 HydrophobicContact CG1-CE 4.14Å; I51-M88 HydrophobicContact CG1-SD 3.82Å; I51-M88 HydrophobicContact CG2-CE 4.02Å; I51-M88 HydrophobicContact CG2-SD 3.75Å; I51-Y91 HydrophobicContact CB-CD1 4.26Å; I51-Y91 HydrophobicContact CB-CE1 4.4Å; I51-Y91 HydrophobicContact CD1-CD2 4.45Å; I51-Y91 HydrophobicContact CD1-CG 4.12Å; I51-Y91 HydrophobicContact CG1-CD1 3.87Å; I51-Y91 HydrophobicContact CG1-CE1 4.5Å; I51-Y91 HydrophobicContact CG1-CG 3.94Å; I51-Y91 HydrophobicContact CG2-CD1 4.08Å; I51-Y91 HydrophobicContact CG2-CE1 4.04Å
52Q95.5Very high94.5Very high65 Ų6572.3 Ų72.330%0.30439%0.392SS..Hα-helixtrans-60.7-43.5168.9-79.9-179.670.200112.2I48 K50 G56 A57 I59 M88I48-Q52 WeakPolarHBondContact O-CB 3.29Å; I48-Q52 WeakPolarHBondContact O-CG 3.48Å; I48-Q52 PolarHBondContact O-N 3.12Å; I48-Q52 PolarHBondContact O-NE2 3.24Å; I48-Q52 VanDerWaalsContact O-NE2 3.15Å; K50-Q52 VanDerWaalsContact C-N 3.3Å; K50-Q52 PolarHBondContact O-N 2.84Å; Q52-G56 WeakPolarHBondContact O-CA 3.43Å; Q52-G56 PolarHBondContact O-N 3.02Å; Q52-A57 WeakPolarHBondContact CG-O 3.37Å; Q52-I59 HydrophobicContact CG-CG2 3.53Å; Q52-M88 HydrophobicContact CG-CE 4.23Å
53K95.7Very high94.4Very high190 Ų19078.6 Ų78.683%0.82641%0.413SS*.Hα-helixtrans-67.4-38178-172.3-177.7177.2-1750112.3A49 K50A49-K53 PolarHBondContact O-N 3.02Å; A49-K53 VanDerWaalsContact O-N 3.16Å; K50-K53 WeakPolarHBondContact O-CA 3.17Å; K50-K53 WeakPolarHBondContact O-CB 3.27Å; K50-K53 PolarHBondContact O-N 2.73Å
54E95.8Very high94.2Very high108 Ų10874 Ų7451%0.50540%0.401SS..Hα-helixtrans-77.5-29.4-177.8-69.5172.8162.800113.8K50 I51 R87K50-E54 VanDerWaalsContact CE-CD 3.47Å; K50-E54 WeakPolarHBondContact CE-OE1 3.21Å; K50-E54 WeakPolarHBondContact CE-OE2 3.39Å; K50-E54 HydrophobicContact CG-CG 4.47Å; K50-E54 IonicContact NZ-OE1 3.84Å; K50-E54 WeakPolarHBondContact O-CG 3.36Å; K50-E54 PolarHBondContact O-N 3.25Å; I51-E54 PolarHBondContact O-N 2.99Å; E54-R87 PolarHBondContact O-NH1 3.48Å
55T94.7Very high93.9Very high11 Ų1176.4 Ų76.47%0.06739%0.391CS..Hα-helixtrans-97.3-23.1179.359.30000114I51 A57 R87 M88I51-T55 HydrophobicContact CD1-CG2 3.83Å; I51-T55 HydrophobicContact CG1-CG2 4.03Å; I51-T55 WeakPolarHBondContact O-CB 3.48Å; I51-T55 WeakPolarHBondContact O-CG2 2.81Å; I51-T55 PolarHBondContact O-N 3.34Å; I51-T55 PolarHBondContact O-OG1 3.35Å; T55-A57 PolarHBondContact O-N 3.4Å; T55-A57 PolarHBondContact OG1-N 3.17Å; T55-A57 VanDerWaalsContact OG1-N 3.16Å; T55-R87 HydrophobicContact CG2-CB 3.75Å; T55-M88 HydrophobicContact CG2-CE 4.46Å; T55-M88 WeakPolarHBondContact OG1-CE 3.42Å
56G93.3Very high93.6Very high63 Ų6376.3 Ų76.365%0.64939%0.386SS*.  trans70.2-0.8-166.800000114.3Q52Q52-G56 WeakPolarHBondContact O-CA 3.43Å; Q52-G56 PolarHBondContact O-N 3.02Å
57A93.7Very high93.2Very high1 Ų172.1 Ų72.11%0.00837%0.368CS..  trans-88138.4-179.900000111.1Q52 T55 I78 Q79 M88Q52-A57 WeakPolarHBondContact CG-O 3.37Å; T55-A57 PolarHBondContact O-N 3.4Å; T55-A57 PolarHBondContact OG1-N 3.17Å; T55-A57 VanDerWaalsContact OG1-N 3.16Å; A57-I78 HydrophobicContact CB-CG2 4.02Å; A57-Q79 WeakPolarHBondContact CA-O 3.48Å; A57-M88 HydrophobicContact CB-CE 4.23Å
58R93.4Very high92.9Very high180 Ų18070.7 Ų70.768%0.67936%0.357SS*.EExtended strand (participates in β ladder)trans-90126.3174.9-66-179.3174.7-167.2-3.7109.8I78 Q79R58-I78 CarbonylContact O-C 3.5Å; R58-I78 WeakPolarHBondContact O-CA 3.48Å; R58-Q79 HydrophobicContact CB-CB 4.41Å; R58-Q79 PolarHBondContact N-O 2.9Å; R58-Q79 PolarHBondContact O-N 2.76Å
59I94.6Very high92.3Very high12 Ų1270.9 Ų70.96%0.06236%0.359CS..EExtended strand (participates in β ladder)trans-114.2136.1179177.2177.2000109.8I40 I48 Q52 L61 C76 L77 I78 M88 I92I40-I59 HydrophobicContact CG2-CD1 4.33Å; I48-I59 HydrophobicContact CD1-CD1 4.13Å; I48-I59 HydrophobicContact CD1-CG1 4.29Å; I48-I59 HydrophobicContact CD1-CG2 3.77Å; I48-I59 HydrophobicContact CG1-CD1 4.48Å; I48-I59 HydrophobicContact CG1-CG2 3.53Å; Q52-I59 HydrophobicContact CG-CG2 3.53Å; I59-L61 HydrophobicContact CD1-CD1 4.13Å; I59-L61 HydrophobicContact CG1-CD1 3.94Å; I59-C76 VanDerWaalsContact CD1-SG 3.59Å; I59-L77 CarbonylContact C-O 3.57Å; I59-L77 WeakPolarHBondContact CA-O 3.38Å; I59-I78 HydrophobicContact CG1-CG1 4.35Å; I59-M88 HydrophobicContact CB-CE 4.22Å; I59-M88 HydrophobicContact CB-SD 4.31Å; I59-M88 HydrophobicContact CD1-CG 4.36Å; I59-M88 HydrophobicContact CD1-SD 3.99Å; I59-M88 HydrophobicContact CG2-CE 3.88Å; I59-M88 HydrophobicContact CG2-SD 4.16Å; I59-I92 HydrophobicContact CD1-CD1 3.87Å
60K93.7Very high91.5Very high104 Ų10470.8 Ų70.845%0.45236%0.364SS..EExtended strand (participates in β ladder)trans-134.6128.7180-70.1171.6177.8160.40109.4L77 I244K60-L77 PolarHBondContact N-O 3.45Å; K60-L77 PolarHBondContact O-N 2.97Å; K60-I244 HydrophobicContact CB-CD1 3.53Å; K60-I244 HydrophobicContact CD-CD1 4.02Å; K60-I244 HydrophobicContact CG-CD1 4.44Å
61L93.5Very high90.9Very high41 Ų4165.7 Ų65.722%0.21534%0.343CS..EExtended strand (participates in β ladder)trans-106.4144.5176.5-68.884000110.6V37 I41 I48 I59 C76V37-L61 HydrophobicContact CB-CD2 4.4Å; V37-L61 HydrophobicContact CG1-CD2 3.48Å; V37-L61 VanDerWaalsContact CG1-CD2 3.48Å; V37-L61 HydrophobicContact CG2-CD2 4.2Å; I41-L61 HydrophobicContact CD1-CD2 4.48Å; I41-L61 HydrophobicContact CG1-CD2 4.48Å; I48-L61 HydrophobicContact CD1-CD1 3.55Å; I59-L61 HydrophobicContact CD1-CD1 4.13Å; I59-L61 HydrophobicContact CG1-CD1 3.94Å; L61-C76 HydrophobicContact CG-CB 4.32Å
62S93.2Very high90.5Very high5 Ų571.2 Ų71.24%0.03537%0.369CS..  trans-51.1155.8161.944.50000112.1D66 R74 V75S62-D66 VanDerWaalsContact CB-O 3.25Å; S62-D66 WeakPolarHBondContact CB-O 3.47Å; S62-R74 PolarHBondContact O-NE 3.29Å; S62-R74 PolarHBondContact O-NH2 3.15Å; S62-R74 WeakPolarHBondContact OG-CA 3.49Å; S62-R74 WeakPolarHBondContact OG-CB 3.3Å; S62-V75 WeakPolarHBondContact CB-O 3.34Å; S62-V75 PolarHBondContact N-O 2.89Å; S62-V75 PolarHBondContact OG-N 3.31Å; S62-V75 PolarHBondContact OG-O 2.94Å
63K91Very high90.3Very high154 Ų15468.4 Ų68.467%0.6736%0.356SS*.  trans-64.3167.3168.9-55.9175.9-165.9166.10110.4N65 D66 R74K63-N65 PolarHBondContact O-N 3.21Å; K63-D66 HydrophobicContact CB-CB 4.14Å; K63-D66 VanDerWaalsContact CB-OD2 3.27Å; K63-D66 WeakPolarHBondContact CB-OD2 3.48Å; K63-D66 VanDerWaalsContact CD-OD2 3.22Å; K63-D66 WeakPolarHBondContact CD-OD2 3.2Å; K63-D66 WeakPolarHBondContact CG-OD2 3.45Å; K63-D66 PolarHBondContact O-N 3.05Å; K63-D66 VanDerWaalsContact O-N 3.12Å; K63-R74 PolarHBondContact O-NE 3.28Å
64V89.5Confident90.1Very high95 Ų9560.8 Ų60.858%0.57632%0.322SS*.THydrogen-bonded Turntrans-55.8-37.8177.7-176.60000111.8L67V64-L67 WeakPolarHBondContact O-CD2 3.33Å
65N86.4Confident90Very high148 Ų14855.7 Ų55.779%0.79130%0.298SS*.THydrogen-bonded Turntrans-94.5-1.3-177.7-54.411.9000113.2K63 L67K63-N65 PolarHBondContact O-N 3.21Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 3.31Å
66D88.2Confident90Very high18 Ų1855.3 Ų55.310%0.09630%0.296CS..  trans-91.959.6178.3-81.3-48.8000110.2S62 K63 S245S62-D66 VanDerWaalsContact CB-O 3.25Å; S62-D66 WeakPolarHBondContact CB-O 3.47Å; K63-D66 HydrophobicContact CB-CB 4.14Å; K63-D66 VanDerWaalsContact CB-OD2 3.27Å; K63-D66 WeakPolarHBondContact CB-OD2 3.48Å; K63-D66 VanDerWaalsContact CD-OD2 3.22Å; K63-D66 WeakPolarHBondContact CD-OD2 3.2Å; K63-D66 WeakPolarHBondContact CG-OD2 3.45Å; K63-D66 PolarHBondContact O-N 3.05Å; K63-D66 VanDerWaalsContact O-N 3.12Å; D66-S245 VanDerWaalsContact OD1-CB 3.3Å; D66-S245 WeakPolarHBondContact OD1-CB 3.19Å; D66-S245 PolarHBondContact OD1-OG 3.18Å
67L87.8Confident90.1Very high64 Ų6452.4 Ų52.434%0.33527%0.265SS..BIsolated β-bridgetrans-74.9153.2179.9-55.7175.8000111.3V64 N65 R74V64-L67 WeakPolarHBondContact O-CD2 3.33Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 3.31Å; L67-R74 HydrophobicContact CD2-CG 3.65Å
68Y87.7Confident90.2Very high6 Ų652.3 Ų52.32%0.02427%0.265CS..PPolyproline II helixtrans-74.3129.8170.8-175.5-94.3000110L31 G70 T71 E73 V75 L168 Y246L31-Y68 HydrophobicContact CD1-CD1 3.89Å; L31-Y68 HydrophobicContact CD1-CE1 4.45Å; L31-Y68 HydrophobicContact CD1-CG 4.1Å; L31-Y68 HydrophobicContact CD2-CD1 4.46Å; L31-Y68 HydrophobicContact CD2-CD2 4.21Å; L31-Y68 HydrophobicContact CD2-CG 3.83Å; Y68-G70 PolarHBondContact O-N 2.86Å; Y68-T71 HydrophobicContact CD1-CG2 4.25Å; Y68-T71 PolarHBondContact O-N 3.35Å; Y68-T71 VanDerWaalsContact O-O 3.14Å; Y68-T71 PolarHBondContact O-OG1 3.41Å; Y68-E73 PolarHBondContact N-O 2.94Å; Y68-V75 HydrophobicContact CD2-CG2 4.27Å; Y68-L168 HydrophobicContact CD2-CD1 3.56Å; Y68-L168 HydrophobicContact CD2-CD2 4.08Å; Y68-L168 HydrophobicContact CD2-CG 4.47Å; Y68-L168 HydrophobicContact CE1-CD2 4.2Å; Y68-L168 HydrophobicContact CE2-CD1 3.56Å; Y68-L168 HydrophobicContact CE2-CD2 3.59Å; Y68-L168 HydrophobicContact CE2-CG 4.22Å; Y68-L168 HydrophobicContact CG-CD1 4.47Å; Y68-Y246 HydrophobicContact CD2-CD1 4.15Å; Y68-Y246 HydrophobicContact CD2-CD2 4.23Å; Y68-Y246 HydrophobicContact CD2-CE1 4.11Å; Y68-Y246 HydrophobicContact CD2-CE2 4.24Å; Y68-Y246 HydrophobicContact CD2-CG 4.22Å; Y68-Y246 HydrophobicContact CE2-CD1 4.23Å; Y68-Y246 AromaticContact CE2-CE1 3.97Å; Y68-Y246 HydrophobicContact CE2-CE1 3.97Å
69P83.5Confident90.1Very high24 Ų2445.3 Ų45.316%0.15624%0.24CC..THydrogen-bonded Turntrans-61.5133.8-17025-35.9000111.9V249 V253P69-V249 HydrophobicContact CG-CB 4.3Å; P69-V249 HydrophobicContact CG-CG1 4.14Å; P69-V253 HydrophobicContact CB-CB 4.19Å; P69-V253 HydrophobicContact CB-CG1 4.46Å; P69-V253 HydrophobicContact CB-CG2 3.8Å; P69-V253 HydrophobicContact CG-CB 4.47Å; P69-V253 HydrophobicContact CG-CG1 4.36Å; P69-V253 HydrophobicContact CG-CG2 3.88Å; P69-V253 WeakPolarHBondContact O-CG1 3.23Å
70G77.9Confident90Very high55 Ų5545.1 Ų45.157%0.56724%0.241SC*.THydrogen-bonded Turntrans81.410.2-171.800000114.8Y68Y68-G70 PolarHBondContact O-N 2.86Å
71T84.4Confident90Very high16 Ų1642.3 Ų42.310%0.09823%0.232CC..SBendtrans-142.2160.4174.469.40000112.3L31 Y68 E73 A256 Y257L31-T71 HydrophobicContact CD1-CG2 4.37Å; Y68-T71 HydrophobicContact CD1-CG2 4.25Å; Y68-T71 PolarHBondContact O-N 3.35Å; Y68-T71 VanDerWaalsContact O-O 3.14Å; Y68-T71 PolarHBondContact O-OG1 3.41Å; T71-E73 PolarHBondContact O-N 2.71Å; T71-E73 PolarHBondContact OG1-N 2.87Å; T71-A256 HydrophobicContact CG2-CB 3.64Å; T71-Y257 HydrophobicContact CG2-CE2 4.09Å
72E86.9Confident90Very high135 Ų13543 Ų4363%0.63124%0.236SC*.SBendtrans-92.922.4171.8-64173.1-179.800111.8S34S34-E72 PolarHBondContact OG-O 2.64Å
73E91.1Very high90Very high6 Ų648.8 Ų48.83%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-113.4135.6-163-56-173.1120.500111.1L31 V32 Y68 T71 R161 K166 Y257L31-E73 HydrophobicContact CB-CB 4.11Å; V32-E73 WeakPolarHBondContact O-CA 3.39Å; Y68-E73 PolarHBondContact N-O 2.94Å; T71-E73 PolarHBondContact O-N 2.71Å; T71-E73 PolarHBondContact OG1-N 2.87Å; E73-R161 IonicContact OE1-CZ 3.3Å; E73-R161 VanDerWaalsContact OE1-CZ 3.3Å; E73-R161 IonicContact OE1-NE 3.21Å; E73-R161 PolarHBondContact OE1-NE 2.92Å; E73-R161 IonicContact OE1-NH2 2.64Å; E73-R161 PolarHBondContact OE1-NH2 3.4Å; E73-R161 IonicContact OE2-NH2 3.5Å; E73-K166 WeakPolarHBondContact OE2-CD 3.46Å; E73-K166 WeakPolarHBondContact OE2-CE 3.25Å; E73-K166 IonicContact OE2-NZ 3.67Å; E73-K166 PolarHBondContact OE2-NZ 3.44Å; E73-Y257 PolarHBondContact OE2-OH 3.07Å
74R92.7Very high90.2Very high31 Ų3141.5 Ų41.512%0.11723%0.231CC..EExtended strand (participates in β ladder)trans-88.3130.8-176.2-77.3175.668-169.1-1.8109.8V32 V37 S62 K63 L67V32-R74 PolarHBondContact N-O 2.99Å; V32-R74 PolarHBondContact O-N 3.24Å; V37-R74 HydrophobicContact CG2-CB 4.27Å; S62-R74 PolarHBondContact O-NE 3.29Å; S62-R74 PolarHBondContact O-NH2 3.15Å; S62-R74 WeakPolarHBondContact OG-CA 3.49Å; S62-R74 WeakPolarHBondContact OG-CB 3.3Å; K63-R74 PolarHBondContact O-NE 3.28Å; L67-R74 HydrophobicContact CD2-CG 3.65Å
75V93.8Very high90.4Very high1 Ų137 Ų371%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-73130.7176.5-169.30000110K29 L31 S62 Y68 L168 I244 Y246K29-V75 HydrophobicContact CD-CG1 4.35Å; L31-V75 HydrophobicContact CD2-CB 4.43Å; L31-V75 HydrophobicContact CD2-CG2 3.71Å; S62-V75 WeakPolarHBondContact CB-O 3.34Å; S62-V75 PolarHBondContact N-O 2.89Å; S62-V75 PolarHBondContact OG-N 3.31Å; S62-V75 PolarHBondContact OG-O 2.94Å; Y68-V75 HydrophobicContact CD2-CG2 4.27Å; V75-L168 HydrophobicContact CG1-CD1 4.02Å; V75-L168 HydrophobicContact CG2-CD1 4.34Å; V75-I244 HydrophobicContact CB-CG2 4.04Å; V75-I244 HydrophobicContact CG1-CG2 4.11Å; V75-Y246 HydrophobicContact CB-CE2 4.24Å; V75-Y246 HydrophobicContact CG1-CE2 4.12Å; V75-Y246 HydrophobicContact CG2-CD2 3.86Å; V75-Y246 HydrophobicContact CG2-CE2 3.63Å
76C94.7Very high90.8Very high2 Ų231 Ų311%0.01417%0.172CC..EExtended strand (participates in β ladder)trans-120.2116.9176.4175.20000109.2K29 I30 V32 I59 L61K29-C76 CarbonylContact C-O 3.57Å; K29-C76 WeakPolarHBondContact CA-O 3.48Å; I30-C76 PolarHBondContact N-O 2.88Å; I30-C76 PolarHBondContact O-N 3.33Å; V32-C76 HydrophobicContact CG2-CB 3.79Å; I59-C76 VanDerWaalsContact CD1-SG 3.59Å; L61-C76 HydrophobicContact CG-CB 4.32Å
77L94.7Very high91.2Very high2 Ų235.6 Ų35.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-99.4127.5176.2176.870.7000110H27 K29 I59 K60 Q79 P242 I244H27-L77 HydrophobicContact CB-CD1 4.34Å; K29-L77 HydrophobicContact CG-CD1 3.69Å; I59-L77 CarbonylContact C-O 3.57Å; I59-L77 WeakPolarHBondContact CA-O 3.38Å; K60-L77 PolarHBondContact N-O 3.45Å; K60-L77 PolarHBondContact O-N 2.97Å; L77-Q79 HydrophobicContact CD2-CG 4.01Å; L77-Q79 HydrophobicContact CG-CG 3.92Å; L77-P242 HydrophobicContact CD2-CB 4.3Å; L77-P242 WeakPolarHBondContact CD2-O 3.17Å; L77-I244 HydrophobicContact CB-CD1 3.82Å; L77-I244 HydrophobicContact CB-CG1 4.07Å; L77-I244 HydrophobicContact CD2-CD1 3.81Å; L77-I244 HydrophobicContact CD2-CG1 4Å; L77-I244 HydrophobicContact CG-CD1 4.48Å
78I94.9Very high91.5Very high0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-112.2137.4173-52.2163.4000108.2H27 L28 I30 A57 R58 I59 V85 M88 I92H27-I78 WeakPolarHBondContact CA-O 3.39Å; L28-I78 HydrophobicContact CD2-CD1 4.26Å; L28-I78 PolarHBondContact N-O 3.48Å; L28-I78 PolarHBondContact O-N 3.18Å; I30-I78 HydrophobicContact CD1-CD1 3.64Å; I30-I78 HydrophobicContact CG1-CD1 4.44Å; A57-I78 HydrophobicContact CB-CG2 4.02Å; R58-I78 CarbonylContact O-C 3.5Å; R58-I78 WeakPolarHBondContact O-CA 3.48Å; I59-I78 HydrophobicContact CG1-CG1 4.35Å; I78-V85 HydrophobicContact CG2-CG2 4.07Å; I78-M88 HydrophobicContact CD1-CB 4.17Å; I78-M88 HydrophobicContact CD1-CG 3.68Å; I78-M88 HydrophobicContact CG1-CG 3.94Å; I78-M88 HydrophobicContact CG2-CB 4.05Å; I78-M88 HydrophobicContact CG2-CG 3.87Å; I78-I92 HydrophobicContact CD1-CD1 3.75Å; I78-I92 HydrophobicContact CG1-CD1 4.43Å
79Q92.8Very high91.9Very high32 Ų3232.4 Ų32.415%0.1517%0.172CC..EExtended strand (participates in β ladder)trans-133.3114.3-176.4-44.4-166.1-87.600108.8I26 H27 A57 R58 L77I26-Q79 WeakPolarHBondContact O-CA 3.5Å; H27-Q79 PolarHBondContact CE1-NE2 3.23Å; H27-Q79 WeakPolarHBondContact ND1-CB 3.4Å; H27-Q79 WeakPolarHBondContact ND1-CG 3.32Å; H27-Q79 PolarHBondContact ND1-NE2 3.05Å; A57-Q79 WeakPolarHBondContact CA-O 3.48Å; R58-Q79 HydrophobicContact CB-CB 4.41Å; R58-Q79 PolarHBondContact N-O 2.9Å; R58-Q79 PolarHBondContact O-N 2.76Å; L77-Q79 HydrophobicContact CD2-CG 4.01Å; L77-Q79 HydrophobicContact CG-CG 3.92Å
80G92.5Very high92.4Very high8 Ų833 Ų338%0.08217%0.173CC..EExtended strand (participates in β ladder)trans177.5-168.7-176.800000114.5I26I26-G80 PolarHBondContact N-O 3.24Å; I26-G80 PolarHBondContact O-N 3.4Å; I26-G80 VanDerWaalsContact O-N 3.11Å
81T93.7Very high93.2Very high45 Ų4533 Ų3328%0.27616%0.157SC..  trans-69.8157.9170.461.70000110.8Q23 E83 G84 V85Q23-T81 HydrophobicContact CB-CG2 4.13Å; Q23-T81 HydrophobicContact CG-CG2 4.46Å; T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 2.78Å; T81-G84 PolarHBondContact O-N 3.46Å; T81-G84 PolarHBondContact OG1-N 2.7Å; T81-V85 WeakPolarHBondContact O-CG2 3.34Å; T81-V85 PolarHBondContact O-N 2.71Å
82L92.4Very high93.7Very high55 Ų5532.4 Ų32.429%0.28815%0.153SC..Hα-helixtrans-49.4-50.6178.3-178.959.9000112.4I26 G84 V85 T86 L229I26-L82 HydrophobicContact CD1-CB 3.69Å; I26-L82 HydrophobicContact CD1-CD1 4Å; I26-L82 HydrophobicContact CD1-CG 4.38Å; L82-G84 PolarHBondContact O-N 3.46Å; L82-V85 PolarHBondContact O-N 2.53Å; L82-T86 PolarHBondContact O-N 3.32Å; L82-L229 HydrophobicContact CD1-CB 3.99Å
83E93.8Very high93.9Very high128 Ų12826.6 Ų26.660%0.59813%0.126SC*.Hα-helixtrans-61.4-40.1177.7-62.5175.4-153.300113.8T81 V85 R87T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 2.78Å; E83-V85 VanDerWaalsContact C-N 3.34Å; E83-R87 WeakPolarHBondContact O-CB 3.37Å; E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.34Å; E83-R87 PolarHBondContact O-N 3.31Å; E83-R87 PolarHBondContact O-NE 2.99Å; E83-R87 IonicContact OE2-NH2 3.32Å; E83-R87 PolarHBondContact OE2-NH2 3.39Å
84G94.4Very high94Very high0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-68.8-36.5178.900000111.4T81 L82 M88T81-G84 PolarHBondContact O-N 3.46Å; T81-G84 PolarHBondContact OG1-N 2.7Å; L82-G84 PolarHBondContact O-N 3.46Å; G84-M88 VanDerWaalsContact O-CB 3.26Å; G84-M88 WeakPolarHBondContact O-CB 3.41Å; G84-M88 PolarHBondContact O-N 3.26Å
85V95Very high93.9Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-68-47.8174.8173.80000111.1L28 I78 T81 L82 E83 R87 M88 H89 L229L28-V85 HydrophobicContact CB-CG1 3.61Å; L28-V85 HydrophobicContact CD2-CG1 3.71Å; L28-V85 HydrophobicContact CG-CG1 4.28Å; I78-V85 HydrophobicContact CG2-CG2 4.07Å; T81-V85 WeakPolarHBondContact O-CG2 3.34Å; T81-V85 PolarHBondContact O-N 2.71Å; L82-V85 PolarHBondContact O-N 2.53Å; E83-V85 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.07Å; V85-M88 PolarHBondContact O-N 3.43Å; V85-H89 WeakPolarHBondContact O-CB 3.39Å; V85-H89 PolarHBondContact O-N 2.84Å; V85-L229 HydrophobicContact CG1-CD1 4.25Å; V85-L229 HydrophobicContact CG1-CD2 3.69Å
86T95Very high93.7Very high23 Ų2329.2 Ų29.214%0.14114%0.144CC..Hα-helixtrans-60.1-45174.5-71.60000111.5L82 M88 H89 N90 D226 L229L82-T86 PolarHBondContact O-N 3.32Å; T86-M88 PolarHBondContact O-N 2.85Å; T86-H89 PolarHBondContact O-N 2.92Å; T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 3.09Å; T86-N90 PolarHBondContact O-OD1 3Å; T86-D226 WeakPolarHBondContact CG2-OD1 3.32Å; T86-D226 PolarHBondContact OG1-OD1 3.46Å; T86-L229 WeakPolarHBondContact OG1-CD1 3.25Å
87R95.3Very high93.3Very high115 Ų11531.7 Ų31.743%0.43416%0.157SC..Hα-helixtrans-62-43.9177-76.9-177.5-94.6161.8-15.5112.4E54 T55 E83 V85 N90 Y91E54-R87 PolarHBondContact O-NH1 3.48Å; T55-R87 HydrophobicContact CG2-CB 3.75Å; E83-R87 WeakPolarHBondContact O-CB 3.37Å; E83-R87 VanDerWaalsContact O-CG 3.32Å; E83-R87 WeakPolarHBondContact O-CG 3.34Å; E83-R87 PolarHBondContact O-N 3.31Å; E83-R87 PolarHBondContact O-NE 2.99Å; E83-R87 IonicContact OE2-NH2 3.32Å; E83-R87 PolarHBondContact OE2-NH2 3.39Å; V85-R87 PolarHBondContact O-N 3.07Å; R87-N90 PolarHBondContact O-N 3.49Å; R87-Y91 PolarHBondContact O-N 3.44Å; R87-Y91 VanDerWaalsContact O-N 3.16Å
88M95Very high92.7Very high1 Ų137.7 Ų37.71%0.00518%0.184CC..Hα-helixtrans-65.6-39.6175.9-173.771.271.500112.3I51 Q52 T55 A57 I59 I78 G84 V85 T86 Y91 I92I51-M88 HydrophobicContact CB-SD 4.43Å; I51-M88 HydrophobicContact CG1-CE 4.14Å; I51-M88 HydrophobicContact CG1-SD 3.82Å; I51-M88 HydrophobicContact CG2-CE 4.02Å; I51-M88 HydrophobicContact CG2-SD 3.75Å; Q52-M88 HydrophobicContact CG-CE 4.23Å; T55-M88 HydrophobicContact CG2-CE 4.46Å; T55-M88 WeakPolarHBondContact OG1-CE 3.42Å; A57-M88 HydrophobicContact CB-CE 4.23Å; I59-M88 HydrophobicContact CB-CE 4.22Å; I59-M88 HydrophobicContact CB-SD 4.31Å; I59-M88 HydrophobicContact CD1-CG 4.36Å; I59-M88 HydrophobicContact CD1-SD 3.99Å; I59-M88 HydrophobicContact CG2-CE 3.88Å; I59-M88 HydrophobicContact CG2-SD 4.16Å; I78-M88 HydrophobicContact CD1-CB 4.17Å; I78-M88 HydrophobicContact CD1-CG 3.68Å; I78-M88 HydrophobicContact CG1-CG 3.94Å; I78-M88 HydrophobicContact CG2-CB 4.05Å; I78-M88 HydrophobicContact CG2-CG 3.87Å; G84-M88 VanDerWaalsContact O-CB 3.26Å; G84-M88 WeakPolarHBondContact O-CB 3.41Å; G84-M88 PolarHBondContact O-N 3.26Å; V85-M88 PolarHBondContact O-N 3.43Å; T86-M88 PolarHBondContact O-N 2.85Å; M88-Y91 PolarHBondContact O-N 3.01Å; M88-I92 HydrophobicContact CG-CD1 4.15Å; M88-I92 WeakPolarHBondContact O-CG1 3.34Å; M88-I92 PolarHBondContact O-N 2.97Å; M88-I92 VanDerWaalsContact O-N 3.09Å
89H94.6Very high91.5Very high2 Ų241.7 Ų41.71%0.00920%0.202CC..Hα-helixtrans-58.9-49.2174.7167.5-88.3000111.2L28 V85 T86 Y91 I92 M93L28-H89 HydrophobicContact CD2-CB 4.24Å; V85-H89 WeakPolarHBondContact O-CB 3.39Å; V85-H89 PolarHBondContact O-N 2.84Å; T86-H89 PolarHBondContact O-N 2.92Å; H89-Y91 VanDerWaalsContact C-N 3.34Å; H89-Y91 PolarHBondContact O-N 3.13Å; H89-I92 PolarHBondContact O-N 3.43Å; H89-I92 VanDerWaalsContact O-N 3.13Å; H89-M93 PolarHBondContact O-N 3.03Å
90N94.6Very high90Very high35 Ų3543.2 Ų43.219%0.18722%0.215CC..Hα-helixtrans-64.2-40.7-176.9-66-9.5000111.2T86 R87 I92 M93 D94T86-N90 VanDerWaalsContact O-CG 3.24Å; T86-N90 PolarHBondContact O-N 3.09Å; T86-N90 PolarHBondContact O-OD1 3Å; R87-N90 PolarHBondContact O-N 3.49Å; N90-I92 PolarHBondContact O-N 3.16Å; N90-M93 PolarHBondContact O-N 3.08Å; N90-D94 PolarHBondContact O-N 2.84Å
91Y94.9Very high88.1Confident56 Ų5647 Ų4722%0.2223%0.23CC..Hα-helixtrans-57.7-44.2171.7176.4-104.8000112.8S47 I51 R87 M88 H89 D94 C95S47-Y91 PolarHBondContact OG-OH 3.33Å; I51-Y91 HydrophobicContact CB-CD1 4.26Å; I51-Y91 HydrophobicContact CB-CE1 4.4Å; I51-Y91 HydrophobicContact CD1-CD2 4.45Å; I51-Y91 HydrophobicContact CD1-CG 4.12Å; I51-Y91 HydrophobicContact CG1-CD1 3.87Å; I51-Y91 HydrophobicContact CG1-CE1 4.5Å; I51-Y91 HydrophobicContact CG1-CG 3.94Å; I51-Y91 HydrophobicContact CG2-CD1 4.08Å; I51-Y91 HydrophobicContact CG2-CE1 4.04Å; R87-Y91 PolarHBondContact O-N 3.44Å; R87-Y91 VanDerWaalsContact O-N 3.16Å; M88-Y91 PolarHBondContact O-N 3.01Å; H89-Y91 VanDerWaalsContact C-N 3.34Å; H89-Y91 PolarHBondContact O-N 3.13Å; Y91-D94 PolarHBondContact O-N 3.13Å; Y91-C95 PolarHBondContact O-N 3.49Å; Y91-C95 PolarHBondContact O-SG 2.69Å
92I94.1Very high85.3Confident4 Ų451.2 Ų51.22%0.02126%0.26CS..Hα-helixtrans-64.6-41.8177.1-71.2162.9000111.6I30 V32 I40 I59 I78 M88 H89 N90 D94 C95 V96I30-I92 HydrophobicContact CD1-CD1 4.01Å; I30-I92 HydrophobicContact CD1-CG2 4.47Å; V32-I92 HydrophobicContact CG2-CG2 4.18Å; I40-I92 HydrophobicContact CD1-CG1 4.39Å; I40-I92 HydrophobicContact CD1-CG2 3.95Å; I40-I92 HydrophobicContact CG2-CG1 4.23Å; I59-I92 HydrophobicContact CD1-CD1 3.87Å; I78-I92 HydrophobicContact CD1-CD1 3.75Å; I78-I92 HydrophobicContact CG1-CD1 4.43Å; M88-I92 HydrophobicContact CG-CD1 4.15Å; M88-I92 WeakPolarHBondContact O-CG1 3.34Å; M88-I92 PolarHBondContact O-N 2.97Å; M88-I92 VanDerWaalsContact O-N 3.09Å; H89-I92 PolarHBondContact O-N 3.43Å; H89-I92 VanDerWaalsContact O-N 3.13Å; N90-I92 PolarHBondContact O-N 3.16Å; I92-D94 VanDerWaalsContact C-N 3.32Å; I92-D94 PolarHBondContact O-N 3.19Å; I92-C95 PolarHBondContact O-N 2.88Å; I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.16Å
93M92.4Very high82.8Confident13 Ų1353.6 Ų53.66%0.06428%0.281CS..Hα-helixtrans-61-43.6177.6-166-16976.100111H89 N90 V96 L97 V165 P218 C221 R222H89-M93 PolarHBondContact O-N 3.03Å; N90-M93 PolarHBondContact O-N 3.08Å; M93-V96 PolarHBondContact O-N 3.49Å; M93-V96 VanDerWaalsContact O-N 3.17Å; M93-L97 HydrophobicContact CE-CD1 3.84Å; M93-L97 HydrophobicContact CG-CD1 4.14Å; M93-L97 WeakPolarHBondContact O-CG 3.42Å; M93-L97 PolarHBondContact O-N 3.33Å; M93-V165 HydrophobicContact CG-CG2 4Å; M93-V165 HydrophobicContact SD-CG2 4.14Å; M93-P218 HydrophobicContact CE-CB 3.51Å; M93-P218 HydrophobicContact SD-CB 4.47Å; M93-C221 HydrophobicContact SD-CB 4.02Å; M93-R222 HydrophobicContact CE-CG 3.69Å; M93-R222 HydrophobicContact SD-CG 4.01Å
94D92.7Very high80.1Confident68 Ų6850.1 Ų50.136%0.36428%0.28SS..Hα-helixtrans-66.9-38.9179.5-61.9-8.4000111.2N90 Y91 I92 V96 L97 E98 R222N90-D94 PolarHBondContact O-N 2.84Å; Y91-D94 PolarHBondContact O-N 3.13Å; I92-D94 VanDerWaalsContact C-N 3.32Å; I92-D94 PolarHBondContact O-N 3.19Å; D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 3.19Å; D94-L97 PolarHBondContact O-N 3.19Å; D94-E98 PolarHBondContact O-N 3.31Å; D94-R222 IonicContact OD1-CZ 2.71Å; D94-R222 IonicContact OD1-NH2 2.7Å; D94-R222 PolarHBondContact OD1-NH2 3.25Å; D94-R222 IonicContact OD2-NH2 3.73Å; D94-R222 PolarHBondContact OD2-NH2 2.9Å
95C90.5Very high77.4Confident7 Ų756.5 Ų56.55%0.04732%0.321CS..Hα-helixtrans-63.9-29.4171.5-69.90000114.4A39 I40 Y91 I92A39-C95 HydrophobicContact CB-CB 4.36Å; I40-C95 HydrophobicContact CD1-CB 4.34Å; I40-C95 HydrophobicContact CG1-CB 3.54Å; Y91-C95 PolarHBondContact O-N 3.49Å; Y91-C95 PolarHBondContact O-SG 2.69Å; I92-C95 PolarHBondContact O-N 2.88Å
96V89.3Confident74.4Confident18 Ų1860.9 Ų60.911%0.10936%0.357CS..Hα-helixtrans-77.3-33.7174.9169.80000111V32 P33 A36 I92 M93 D94V32-V96 HydrophobicContact CG1-CG2 4.42Å; P33-V96 HydrophobicContact CG-CG1 4.27Å; P33-V96 HydrophobicContact CG-CG2 4.4Å; A36-V96 HydrophobicContact CB-CB 4.4Å; A36-V96 HydrophobicContact CB-CG2 3.67Å; I92-V96 WeakPolarHBondContact O-CG2 3.45Å; I92-V96 PolarHBondContact O-N 3.16Å; M93-V96 PolarHBondContact O-N 3.49Å; M93-V96 VanDerWaalsContact O-N 3.17Å; D94-V96 VanDerWaalsContact C-N 3.31Å; D94-V96 PolarHBondContact O-N 3.19Å
97L86.1Confident71.9Confident54 Ų5464.6 Ų64.628%0.28339%0.391SS..Hα-helixtrans-73.7-33.6177-73.8161.8000113.3M93 D94 K99 H162 K163 P218M93-L97 HydrophobicContact CE-CD1 3.84Å; M93-L97 HydrophobicContact CG-CD1 4.14Å; M93-L97 WeakPolarHBondContact O-CG 3.42Å; M93-L97 PolarHBondContact O-N 3.33Å; D94-L97 PolarHBondContact O-N 3.19Å; L97-K99 PolarHBondContact O-N 3.3Å; L97-H162 WeakPolarHBondContact CD2-O 3.39Å; L97-K163 HydrophobicContact CD2-CG 4.38Å; L97-P218 HydrophobicContact CD1-CB 3.91Å
98E83.2Confident68.9Low127 Ų12764.3 Ų64.359%0.59341%0.406SS*.SBendtrans-61.9-30.5177-166.4-155.9142.500112.5D94 P100D94-E98 PolarHBondContact O-N 3.31Å; E98-P100 WeakPolarHBondContact O-CD 3.46Å
99K68.8Low65.7Low85 Ų8569.5 Ų69.537%0.3744%0.441SS..SBendtrans-129.569.6-169.4-70.8174.4-175.7110.60112A39 L97A39-K99 HydrophobicContact CB-CD 3.99Å; L97-K99 PolarHBondContact O-N 3.3Å
100P62.5Low62.9Low64 Ų6475.7 Ų75.742%0.41648%0.479SS..  trans-62.8139.3170.528.9-34.8000110.6E98 C102 H162E98-P100 WeakPolarHBondContact O-CD 3.46Å; P100-C102 PolarHBondContact O-N 3.32Å; P100-H162 HydrophobicContact CB-CB 4.01Å
101E52.9Low60Low87 Ų8780.6 Ų80.641%0.40751%0.51SS..  trans-54115.5176.3-63.1-75.3-178.800111.4V35 S103V35-E101 VanDerWaalsContact CG1-OE2 3.22Å; V35-E101 WeakPolarHBondContact CG1-OE2 3.4Å; V35-E101 VanDerWaalsContact CG2-CD 3.45Å; V35-E101 HydrophobicContact CG2-CG 4.37Å; V35-E101 WeakPolarHBondContact CG2-OE1 3.46Å; E101-S103 PolarHBondContact O-N 2.84Å
102C33.8Very low57.1Low134 Ų13483.2 Ų83.291%0.90553%0.532SS*.  trans-77.548.4166.5-70.70000110.9P100 G104P100-C102 PolarHBondContact O-N 3.32Å; C102-G104 PolarHBondContact O-N 2.82Å; C102-G104 VanDerWaalsContact O-N 3.13Å
103S41Very low54.3Low104 Ų10491 Ų9173%0.72757%0.574SS**  trans-88.670.2-172.262.40000111.9E101E101-S103 PolarHBondContact O-N 2.84Å
104G36.1Very low51.7Low56 Ų5696.1 Ų96.158%0.57761%0.606SS**  trans-144.9125.317200000110.9C102 A106C102-G104 PolarHBondContact O-N 2.82Å; C102-G104 VanDerWaalsContact O-N 3.13Å; G104-A106 PolarHBondContact O-N 2.86Å
105P38.2Very low49.4Very low134 Ų134100.2 Ų100.287%0.8763%0.626SS**SBendtrans-74.3120.2-179.929.4-32.9000111.2
106A32Very low46.9Very low91 Ų91105.4 Ų105.475%0.75266%0.663SS**  trans54.167.9161.300000117.9G104 S108G104-A106 PolarHBondContact O-N 2.86Å; A106-S108 WeakPolarHBondContact O-CB 3.33Å
107A41.5Very low44.5Very low102 Ų102110.5 Ų110.584%0.84369%0.694SS**  trans-88.3110.513600000106.8
108S32.4Very low42.3Very low108 Ų108113.7 Ų113.776%0.75572%0.721SS**  cis75.445.522.4-149.50000116.1A106A106-S108 WeakPolarHBondContact O-CB 3.33Å
109C27.9Very low40.1Very low110 Ų110118.8 Ų118.874%0.74374%0.735SS**  trans-161.493.9144.352.60000108.1
110V36.7Very low38.6Very low133 Ų133118.7 Ų118.781%0.80675%0.745SS**  47.894.488.3-174.20000112.6
111T33.8Very low37.3Very low137 Ų137123.1 Ų123.184%0.8476%0.76SS**  trans-151.8131.5134.8-73.10000108.7
112T32.6Very low36.4Very low112 Ų112126.2 Ų126.269%0.68778%0.779SS**  trans-60.7141.4-171.6-44.40000113.5
113N35.7Very low36.6Very low167 Ų167126.7 Ų126.789%0.89378%0.778SS**  trans-140.565.6169.5-123.4-12.1000111.4I115N113-I115 PolarHBondContact O-N 2.79Å
114T38.9Very low36.2Very low121 Ų121125.8 Ų125.874%0.74278%0.776SS**  trans-92.794175.5-52.30000110.2
115I44.1Very low36.2Very low153 Ų153130.8 Ų130.879%0.78579%0.788SS**  trans15.7103.7157.2-52.7174.9000116.1N113 T117N113-I115 PolarHBondContact O-N 2.79Å; I115-T117 PolarHBondContact O-N 2.9Å
116S37.9Very low36.2Very low117 Ų117129.7 Ų129.782%0.81878%0.784SS**  trans-75.6105.6171-53.90000112.5
117T37.9Very low36.7Very low125 Ų125131.1 Ų131.177%0.76779%0.788SS**  trans-172.9150.6143.410.20000112.8I115I115-T117 PolarHBondContact O-N 2.9Å
118S40.1Very low36.6Very low120 Ų120132 Ų13284%0.83978%0.783SS**  trans60.9132.5-171.466.70000114.8
119R37.1Very low37Very low235 Ų235131.8 Ų131.889%0.88778%0.777SS**  cis126.6131.42.3177175-178.5167.61.7108.2
120S37Very low37.4Very low83 Ų83135.3 Ų135.358%0.5878%0.783SS**  trans82.6105.6174.4-75.10000119.2
121E35.5Very low37.4Very low157 Ų157132 Ų13273%0.73478%0.776SS**  77104.6121.5-68158.6105.400121.9
122N34Very low37.4Very low151 Ų151132.7 Ų132.781%0.80777%0.774SS**  44.7123.4122.8-56.6-12.7000121
123V38.8Very low37.8Very low145 Ų145132.4 Ų132.488%0.87978%0.777SS**  -168.9155.2108.7141.90000109.6
124A31.6Very low38Very low84 Ų84129.5 Ų129.569%0.69477%0.77SS**  trans-113-159.2-177.100000112.4
125I37Very low38Very low162 Ų162128.4 Ų128.483%0.83177%0.767SS**  trans106.1138179.2-59.7156.1000113.2
126S38.8Very low37.9Very low111 Ų111128.3 Ų128.378%0.77677%0.768SS**  cis169.1123.5-47.1-87.40000110.4
127S40.9Very low38Very low120 Ų120130.2 Ų130.284%0.83977%0.767SS**  trans-169.1-171.617261.70000113.9
128T40.5Very low37.9Very low122 Ų122129.9 Ų129.975%0.74877%0.768SS**  175134.9-92.5-74.90000110.9
129T40.2Very low37.8Very low102 Ų102132.6 Ų132.663%0.62677%0.767SS**  cis-168.1140.7-18.533.90000111.5
130Q35.6Very low37.8Very low184 Ų184128.7 Ų128.786%0.8676%0.763SS**  trans73.2165140.4-67.4168.7-41.300123.3
131G36.8Very low37.9Very low64 Ų64132.5 Ų132.566%0.6677%0.772SS**  trans115.8103.1-179.600000112.8
132D34.6Very low37.7Very low151 Ų151135.2 Ų135.281%0.80778%0.781SS**  cis79.3132.347.4-55.6-44.7000112.9
133S40.2Very low37.7Very low106 Ų106131.9 Ų131.974%0.74178%0.782SS**  cis-153.8146.416.9-53.70000116.2
134S41Very low37.6Very low106 Ų106130.5 Ų130.574%0.74178%0.779SS**  trans39140.413967.20000127.5
135S38.2Very low37.6Very low99 Ų99130.4 Ų130.469%0.69278%0.778SS**  trans85.1116.1144.475.20000120.1
136N42.9Very low37.2Very low151 Ų151133.3 Ų133.381%0.80778%0.779SS**  -167.5166.172-90.7-78.1000113.1
137I39Very low36.7Very low156 Ų156134.2 Ų134.280%0.879%0.785SS**  trans-143.9145.7174.4-28.4177.3000108.7
138P36Very low36.4Very low119 Ų119134.8 Ų134.877%0.77377%0.774SS**  -151.5119.9104.134.7-15000116.7
139Q38.5Very low35.8Very low177 Ų177133.7 Ų133.783%0.82777%0.772SS**  28.3115.9123.3-173.6-177.918.500120.3
140L36Very low35.6Very low152 Ų152135.1 Ų135.180%0.79677%0.774SS**  trans-147.6121.9151.9-158.967.3000115.5
141Q39.6Very low35.4Very low164 Ų164134.6 Ų134.677%0.76677%0.772SS**  trans37.486.6152-62.9173.5-17.200122
142K32.4Very low35.1Very low214 Ų214139 Ų13993%0.9378%0.78SS**  43.181.4107.1-162.4177.9-173.9178.10117.9
143G34.1Very low34.8Very low80 Ų80137.6 Ų137.683%0.82578%0.782SS**  trans-114.9145.8157.800000111.1
144S34.8Very low34.5Very low116 Ų116135.7 Ų135.781%0.81178%0.778SS**  trans-103.8135.3-168.957.10000114.9
145A31.9Very low34.3Very low82 Ų82135.6 Ų135.668%0.67878%0.778SS**  trans55.4111.8148.700000119.3
146W30.1Very low34.6Very low223 Ų223142.5 Ų142.585%0.84579%0.789SS**  -174107.1110.6-84.7-8.7000110.8H148W146-H148 PolarHBondContact O-N 3.07Å; W146-H148 VanDerWaalsContact O-N 3.1Å
147S26.5Very low35.3Very low130 Ų130136 Ų13691%0.90975%0.754SS**  trans-83.976.7176.5-55.20000111.1S149S147-S149 PolarHBondContact O-N 2.82Å; S147-S149 VanDerWaalsContact O-N 3.15Å
148H34.8Very low36Very low133 Ų133133.9 Ų133.962%0.61675%0.75SS**  trans-77.396.5172.7-84.8-72.6000111.2W146 L150W146-H148 PolarHBondContact O-N 3.07Å; W146-H148 VanDerWaalsContact O-N 3.1Å; H148-L150 HydrophobicContact CB-CG 4.31Å; H148-L150 PolarHBondContact O-N 2.88Å
149S28.8Very low37.1Very low99 Ų99131.1 Ų131.169%0.69272%0.724SS**  trans-62.9117.7155.8-171.40000108.2S147S147-S149 PolarHBondContact O-N 2.82Å; S147-S149 VanDerWaalsContact O-N 3.15Å
150L35.9Very low38.7Very low131 Ų131124.3 Ų124.369%0.68670%0.702SS**  trans-107.466.5-178.9-75179.5000110.9H148 L152H148-L150 HydrophobicContact CB-CG 4.31Å; H148-L150 PolarHBondContact O-N 2.88Å; L150-L152 HydrophobicContact CB-CD1 3.82Å; L150-L152 HydrophobicContact CD2-CD1 4.08Å; L150-L152 HydrophobicContact CG-CD1 4.42Å; L150-L152 PolarHBondContact O-N 2.97Å
151E31Very low40.6Very low174 Ų174119.7 Ų119.781%0.81367%0.674SS**  trans-68.781.3164.5-66.7-175.7122.400110.1S153E151-S153 PolarHBondContact O-N 3.25Å
152L30.4Very low42.3Very low157 Ų157115.5 Ų115.582%0.82265%0.654SS**  trans-76.270172.8-91.979.1000111.4L150L150-L152 HydrophobicContact CB-CD1 3.82Å; L150-L152 HydrophobicContact CD2-CD1 4.08Å; L150-L152 HydrophobicContact CG-CD1 4.42Å; L150-L152 PolarHBondContact O-N 2.97Å
153S29.4Very low44.8Very low121 Ų121108.3 Ų108.385%0.84662%0.623SS**  trans-144.565.4164.2-159.80000110.3E151E151-S153 PolarHBondContact O-N 3.25Å
154G33.1Very low47.5Very low65 Ų65105.3 Ų105.367%0.6759%0.587SS**  trans-118.885-165.400000114.7R156G154-R156 PolarHBondContact O-N 2.93Å; G154-R156 VanDerWaalsContact O-N 3.08Å
155S37.7Very low50.2Low104 Ų104100.5 Ų100.573%0.72755%0.553SS**  trans-63.3104.4163.154.10000109.7L157S155-L157 PolarHBondContact O-N 3.49Å
156R44.4Very low53.1Low244 Ų24496.6 Ų96.692%0.92152%0.521SS*.SBendtrans-77.550.8-176.9-72-160.8-178.8-141.34.1114.5G154G154-R156 PolarHBondContact O-N 2.93Å; G154-R156 VanDerWaalsContact O-N 3.08Å
157L55.9Low56.2Low16 Ų1686 Ų868%0.08448%0.481CS..SBendtrans-108.5129.3147-67.2176.7000106.3S155 W159 F195 P258S155-L157 PolarHBondContact O-N 3.49Å; L157-W159 PolarHBondContact O-N 3.08Å; L157-F195 HydrophobicContact CD2-CD1 3.73Å; L157-F195 HydrophobicContact CD2-CE1 3.38Å; L157-F195 HydrophobicContact CD2-CG 4.48Å; L157-F195 HydrophobicContact CD2-CZ 3.88Å; L157-P258 HydrophobicContact CD1-CG 3.8Å; L157-P258 HydrophobicContact CD2-CG 4.3Å; L157-P258 HydrophobicContact CG-CG 3.82Å
158P53.7Low59.4Low111 Ų11180 Ų8072%0.72144%0.438SS*.SBendtrans-69-3.7-17928.4-35.2000113.8
159W61.2Low62.1Low60 Ų6073.8 Ų73.823%0.22741%0.41CS..SBendtrans-103.4127.3177.3-57.4-79.7000109.8L157 K163 Q164 F195 A215L157-W159 PolarHBondContact O-N 3.08Å; W159-K163 HydrophobicContact CB-CB 4Å; W159-K163 HydrophobicContact CG-CB 4.45Å; W159-Q164 HydrophobicContact CB-CG 4.28Å; W159-Q164 PolarHBondContact O-NE2 3.16Å; W159-F195 HydrophobicContact CE3-CB 4.25Å; W159-F195 HydrophobicContact CH2-CB 3.62Å; W159-F195 HydrophobicContact CH2-CG 4.46Å; W159-F195 HydrophobicContact CZ3-CB 3.36Å; W159-F195 HydrophobicContact CZ3-CD1 4.47Å; W159-F195 HydrophobicContact CZ3-CD2 4.45Å; W159-F195 AromaticContact CZ3-CG 3.87Å; W159-F195 HydrophobicContact CZ3-CG 3.87Å; W159-A215 HydrophobicContact CB-CB 4.15Å; W159-A215 HydrophobicContact CD2-CB 3.83Å; W159-A215 HydrophobicContact CE3-CB 3.47Å; W159-A215 VanDerWaalsContact CE3-CB 3.47Å; W159-A215 HydrophobicContact CG-CB 4.12Å; W159-A215 HydrophobicContact CZ3-CB 4.19Å
160G71.3Confident65.1Low34 Ų3469.4 Ų69.435%0.35138%0.379SS..  trans-67.5165.5169.500000112.1H162 K163G160-H162 PolarHBondContact O-N 2.97Å; G160-K163 PolarHBondContact O-N 3.35Å
161R76Confident67.6Low55 Ų5565.1 Ų65.121%0.20836%0.357CS..G310 helixtrans-51-33.3-177.5-72.6-60.9-58.2124.714.4113.9E73 K163 Q164E73-R161 IonicContact OE1-CZ 3.3Å; E73-R161 VanDerWaalsContact OE1-CZ 3.3Å; E73-R161 IonicContact OE1-NE 3.21Å; E73-R161 PolarHBondContact OE1-NE 2.92Å; E73-R161 IonicContact OE1-NH2 2.64Å; E73-R161 PolarHBondContact OE1-NH2 3.4Å; E73-R161 IonicContact OE2-NH2 3.5Å; R161-K163 VanDerWaalsContact C-N 3.27Å; R161-K163 PolarHBondContact O-N 2.85Å; R161-Q164 PolarHBondContact O-N 2.98Å
162H75.6Confident70.4Confident77 Ų7759.7 Ų59.736%0.35634%0.337SS..G310 helixtrans-63.7-26177.359.3-97.2000113.9L97 P100 G160L97-H162 WeakPolarHBondContact CD2-O 3.39Å; P100-H162 HydrophobicContact CB-CB 4.01Å; G160-H162 PolarHBondContact O-N 2.97Å
163K85.1Confident73.3Confident62 Ų6252.2 Ų52.227%0.2730%0.298SS..G310 helixtrans-100.229.7170.9-67.2-155.3-170.4-166.20112.7L97 W159 G160 R161 E217L97-K163 HydrophobicContact CD2-CG 4.38Å; W159-K163 HydrophobicContact CB-CB 4Å; W159-K163 HydrophobicContact CG-CB 4.45Å; G160-K163 PolarHBondContact O-N 3.35Å; R161-K163 VanDerWaalsContact C-N 3.27Å; R161-K163 PolarHBondContact O-N 2.85Å; K163-E217 IonicContact NZ-OE1 2.73Å; K163-E217 PolarHBondContact NZ-OE1 3.34Å; K163-E217 IonicContact NZ-OE2 2.65Å; K163-E217 PolarHBondContact NZ-OE2 2.78Å
164Q89.7Confident76.3Confident17 Ų1746.4 Ų46.48%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-134.6112.2179.8-64-174.617.200112.7W159 R161 I214 A215W159-Q164 HydrophobicContact CB-CG 4.28Å; W159-Q164 PolarHBondContact O-NE2 3.16Å; R161-Q164 PolarHBondContact O-N 2.98Å; Q164-I214 CarbonylContact C-O 3.51Å; Q164-I214 WeakPolarHBondContact CA-O 3.33Å; Q164-A215 HydrophobicContact CG-CB 3.85Å
165V92.6Very high79.2Confident15 Ų1545 Ų459%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-82.4138.1169.8178.70000109.5M93 I167 T213 I214 C221 V225M93-V165 HydrophobicContact CG-CG2 4Å; M93-V165 HydrophobicContact SD-CG2 4.14Å; V165-I167 HydrophobicContact CG1-CD1 4.4Å; V165-I167 HydrophobicContact CG1-CG1 4.19Å; V165-T213 WeakPolarHBondContact O-CA 3.32Å; V165-I214 HydrophobicContact CB-CB 4.46Å; V165-I214 PolarHBondContact N-O 3.19Å; V165-I214 PolarHBondContact O-N 3.38Å; V165-C221 HydrophobicContact CG2-CB 4.28Å; V165-V225 HydrophobicContact CG1-CG2 4.11Å
166K93.2Very high81.8Confident1 Ų144 Ų440%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-124.2122.2172.2-81.6-171.5-176.3173.50110.9I30 L31 E73 I212 T213 A256 Y257I30-K166 CarbonylContact C-O 3.52Å; I30-K166 WeakPolarHBondContact CA-O 3.47Å; I30-K166 WeakPolarHBondContact CG2-O 3.3Å; L31-K166 HydrophobicContact CB-CB 3.84Å; L31-K166 HydrophobicContact CB-CD 4.31Å; L31-K166 HydrophobicContact CD1-CB 4.4Å; L31-K166 HydrophobicContact CD1-CD 3.96Å; L31-K166 HydrophobicContact CG-CB 4.36Å; L31-K166 PolarHBondContact N-O 2.96Å; E73-K166 WeakPolarHBondContact OE2-CD 3.46Å; E73-K166 WeakPolarHBondContact OE2-CE 3.25Å; E73-K166 IonicContact OE2-NZ 3.67Å; E73-K166 PolarHBondContact OE2-NZ 3.44Å; K166-I212 CarbonylContact C-O 3.54Å; K166-I212 WeakPolarHBondContact CA-O 3.45Å; K166-T213 HydrophobicContact CG-CG2 4.24Å; K166-A256 WeakPolarHBondContact CE-O 3.47Å; K166-A256 PolarHBondContact NZ-O 3.48Å; K166-Y257 PolarHBondContact NZ-OH 3.24Å
167I94.2Very high84.2Confident0 Ų032.4 Ų32.40%019%0.185CC..EExtended strand (participates in β ladder)trans-111.3141.4177.9-71.3169.5000109.2L28 K29 V165 V169 C211 I212 V225L28-I167 HydrophobicContact CD1-CD1 4.11Å; L28-I167 HydrophobicContact CD1-CG1 4.15Å; L28-I167 HydrophobicContact CD1-CG2 3.77Å; K29-I167 CarbonylContact O-C 3.59Å; K29-I167 VanDerWaalsContact O-CA 3.31Å; K29-I167 WeakPolarHBondContact O-CA 3.46Å; V165-I167 HydrophobicContact CG1-CD1 4.4Å; V165-I167 HydrophobicContact CG1-CG1 4.19Å; I167-V169 HydrophobicContact CG2-CG1 4.11Å; I167-C211 CarbonylContact O-C 3.54Å; I167-C211 WeakPolarHBondContact O-CA 3.45Å; I167-I212 PolarHBondContact N-O 3.21Å; I167-I212 PolarHBondContact O-N 3.3Å; I167-V225 HydrophobicContact CD1-CB 4.45Å; I167-V225 HydrophobicContact CD1-CG1 3.93Å; I167-V225 HydrophobicContact CD1-CG2 3.86Å
168L92.7Very high86Confident4 Ų434 Ų342%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-100.1134.6165.2-54.8177.5000109.1K29 L31 Y68 V75 C211K29-L168 HydrophobicContact CB-CB 3.79Å; K29-L168 HydrophobicContact CB-CD1 4.44Å; K29-L168 HydrophobicContact CB-CG 4.41Å; K29-L168 HydrophobicContact CD-CB 4.24Å; K29-L168 HydrophobicContact CD-CD1 4.28Å; K29-L168 PolarHBondContact O-N 3.47Å; L31-L168 HydrophobicContact CD1-CD2 4.07Å; L31-L168 HydrophobicContact CD2-CD1 3.91Å; L31-L168 HydrophobicContact CD2-CD2 4.27Å; L31-L168 HydrophobicContact CD2-CG 4.1Å; L31-L168 HydrophobicContact CG-CD2 4.07Å; L31-L168 HydrophobicContact CG-CG 4.15Å; Y68-L168 HydrophobicContact CD2-CD1 3.56Å; Y68-L168 HydrophobicContact CD2-CD2 4.08Å; Y68-L168 HydrophobicContact CD2-CG 4.47Å; Y68-L168 HydrophobicContact CE1-CD2 4.2Å; Y68-L168 HydrophobicContact CE2-CD1 3.56Å; Y68-L168 HydrophobicContact CE2-CD2 3.59Å; Y68-L168 HydrophobicContact CE2-CG 4.22Å; Y68-L168 HydrophobicContact CG-CD1 4.47Å; V75-L168 HydrophobicContact CG1-CD1 4.02Å; V75-L168 HydrophobicContact CG2-CD1 4.34Å; L168-C211 HydrophobicContact CD2-CB 3.86Å
169V91.9Very high87.9Confident2 Ų229.7 Ų29.71%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-137.1145.9176-90.70000111I167 T173 A174 E209 R210 I212 I232I167-V169 HydrophobicContact CG2-CG1 4.11Å; V169-T173 HydrophobicContact CG1-CG2 4.27Å; V169-A174 HydrophobicContact CG2-CB 3.86Å; V169-E209 CarbonylContact O-C 3.54Å; V169-E209 WeakPolarHBondContact O-CA 3.28Å; V169-R210 PolarHBondContact N-O 2.85Å; V169-R210 PolarHBondContact O-N 2.91Å; V169-I212 HydrophobicContact CG2-CD1 3.59Å; V169-I212 HydrophobicContact CG2-CG1 3.7Å; V169-I232 HydrophobicContact CG1-CD1 3.6Å; V169-I232 HydrophobicContact CG1-CG1 3.74Å
170P91.7Very high89.4Confident8 Ų834.2 Ų34.25%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-55154.2173-26.836.7000113C172 T173 A174 L208 Y241P170-C172 PolarHBondContact O-N 2.86Å; P170-T173 PolarHBondContact O-N 2.84Å; P170-A174 WeakPolarHBondContact O-CB 3.36Å; P170-A174 PolarHBondContact O-N 2.96Å; P170-L208 WeakPolarHBondContact CA-O 3.45Å; P170-Y241 HydrophobicContact CB-CD2 4.06Å; P170-Y241 HydrophobicContact CB-CE2 4.4Å; P170-Y241 HydrophobicContact CG-CD2 4.02Å
171N89.2Confident90.3Very high40 Ų4040.7 Ų40.721%0.21422%0.216CC..Hα-helixtrans-55.8-35.8-178.3-86.9-49000113.7G175 L207 L208 R210N171-G175 PolarHBondContact O-N 2.97Å; N171-G175 VanDerWaalsContact O-N 3.13Å; N171-L207 PolarHBondContact ND2-O 2.92Å; N171-L208 PolarHBondContact N-O 3.35Å; N171-L208 VanDerWaalsContact ND2-C 3.28Å; N171-L208 WeakPolarHBondContact ND2-CA 3.28Å; N171-L208 PolarHBondContact ND2-O 3.44Å; N171-R210 PolarHBondContact O-NH2 3.11Å; N171-R210 VanDerWaalsContact O-NH2 3.11Å; N171-R210 WeakPolarHBondContact OD1-CD 3.39Å; N171-R210 WeakPolarHBondContact OD1-CG 3.39Å; N171-R210 PolarHBondContact OD1-NE 2.83Å
172C89.5Confident91.1Very high60 Ų6038.5 Ų38.541%0.40521%0.211SC..Hα-helixtrans-63-57.7176.8-45.10000110.8P170 A174 G175 L176 Q237P170-C172 PolarHBondContact O-N 2.86Å; C172-A174 VanDerWaalsContact C-N 3.33Å; C172-A174 PolarHBondContact O-N 3.5Å; C172-G175 VanDerWaalsContact O-CA 3.3Å; C172-G175 WeakPolarHBondContact O-CA 3.26Å; C172-G175 PolarHBondContact O-N 3.38Å; C172-L176 PolarHBondContact O-N 2.99Å; C172-Q237 PolarHBondContact SG-OE1 3.32Å
173T92Very high92Very high0 Ų037.9 Ų37.90%022%0.215CC..Hα-helixtrans-59-42.6179.4-32.50000111.7V169 P170 G175 L176 V177 I232 D235 S238V169-T173 HydrophobicContact CG1-CG2 4.27Å; P170-T173 PolarHBondContact O-N 2.84Å; T173-G175 PolarHBondContact O-N 3Å; T173-L176 WeakPolarHBondContact O-CB 3.32Å; T173-L176 PolarHBondContact O-N 3.35Å; T173-L176 VanDerWaalsContact O-N 3.08Å; T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.83Å; T173-I232 HydrophobicContact CG2-CB 4.32Å; T173-I232 HydrophobicContact CG2-CG1 3.87Å; T173-D235 VanDerWaalsContact CA-OD2 3.23Å; T173-D235 WeakPolarHBondContact CA-OD2 3.5Å; T173-D235 VanDerWaalsContact CB-OD2 3.25Å; T173-D235 WeakPolarHBondContact CB-OD2 3.3Å; T173-D235 HydrophobicContact CG2-CB 4.07Å; T173-D235 PolarHBondContact N-OD2 3.49Å; T173-D235 PolarHBondContact OG1-OD2 3.49Å; T173-S238 WeakPolarHBondContact CG2-OG 3.47Å; T173-S238 PolarHBondContact OG1-OG 2.61Å
174A92.6Very high92.5Very high0 Ų036.2 Ų36.20%021%0.208CC..Hα-helixtrans-65.9-20.4173.700000113.2V169 P170 C172 I178 R210V169-A174 HydrophobicContact CG2-CB 3.86Å; P170-A174 WeakPolarHBondContact O-CB 3.36Å; P170-A174 PolarHBondContact O-N 2.96Å; C172-A174 VanDerWaalsContact C-N 3.33Å; C172-A174 PolarHBondContact O-N 3.5Å; A174-I178 WeakPolarHBondContact O-CD1 3.39Å; A174-I178 WeakPolarHBondContact O-CG1 3.35Å; A174-I178 PolarHBondContact O-N 2.8Å; A174-R210 HydrophobicContact CB-CB 4.4Å; A174-R210 VanDerWaalsContact CB-NH2 3.31Å
175G92.7Very high92.8Very high36 Ų3636.4 Ų36.437%0.37121%0.21SC..Hα-helixtrans-72-42.8167.800000112.3N171 C172 T173 I178 G179N171-G175 PolarHBondContact O-N 2.97Å; N171-G175 VanDerWaalsContact O-N 3.13Å; C172-G175 VanDerWaalsContact O-CA 3.3Å; C172-G175 WeakPolarHBondContact O-CA 3.26Å; C172-G175 PolarHBondContact O-N 3.38Å; T173-G175 PolarHBondContact O-N 3Å; G175-I178 PolarHBondContact O-N 2.87Å; G175-G179 PolarHBondContact O-N 3.16Å
176L93.3Very high92.9Very high82 Ų8242.3 Ų42.343%0.42923%0.231SC..Hα-helixtrans-65.6-41175.6-64.1168.8000112.1C172 T173 I178 G179 D235C172-L176 PolarHBondContact O-N 2.99Å; T173-L176 WeakPolarHBondContact O-CB 3.32Å; T173-L176 PolarHBondContact O-N 3.35Å; T173-L176 VanDerWaalsContact O-N 3.08Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 2.8Å; L176-G179 PolarHBondContact O-N 3.25Å; L176-D235 HydrophobicContact CD1-CB 3.74Å
177V94.7Very high93Very high0 Ų045.8 Ų45.80%025%0.247CC..Hα-helixtrans-66.4-31.7176177.10000112.4T173 V185 I188 I198 I212 V228 K231T173-V177 WeakPolarHBondContact O-CG2 3.35Å; T173-V177 PolarHBondContact O-N 2.83Å; V177-V185 PolarHBondContact O-N 2.72Å; V177-I188 HydrophobicContact CG1-CD1 4.18Å; V177-I198 HydrophobicContact CG1-CD1 4.2Å; V177-I212 HydrophobicContact CB-CD1 4.23Å; V177-I212 HydrophobicContact CG1-CD1 3.7Å; V177-V228 HydrophobicContact CG1-CG2 4.04Å; V177-V228 HydrophobicContact CG2-CG1 4.31Å; V177-K231 HydrophobicContact CG2-CB 3.78Å; V177-K231 HydrophobicContact CG2-CG 4.42Å
178I94Very high93.1Very high49 Ų4945.8 Ų45.825%0.25125%0.247SC..Hα-helixtrans-69.6-46.9169.8-70.1167.5000110.1A174 G175 L176 G182 S183 Y184 V185 I198 R210A174-I178 WeakPolarHBondContact O-CD1 3.39Å; A174-I178 WeakPolarHBondContact O-CG1 3.35Å; A174-I178 PolarHBondContact O-N 2.8Å; G175-I178 PolarHBondContact O-N 2.87Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 2.8Å; I178-G182 CarbonylContact O-C 3.13Å; I178-G182 WeakPolarHBondContact O-CA 3.34Å; I178-S183 PolarHBondContact O-N 2.81Å; I178-Y184 PolarHBondContact O-N 3.01Å; I178-Y184 VanDerWaalsContact O-N 3.11Å; I178-V185 HydrophobicContact CG2-CG1 4.31Å; I178-V185 PolarHBondContact O-N 3.44Å; I178-V185 VanDerWaalsContact O-N 3.13Å; I178-I198 HydrophobicContact CD1-CD1 4.28Å; I178-I198 HydrophobicContact CD1-CG2 4.36Å; I178-I198 HydrophobicContact CG1-CD1 3.54Å; I178-R210 VanDerWaalsContact CD1-NH1 3.31Å
179G92.2Very high93.2Very high21 Ų2148.9 Ų48.922%0.21626%0.26CS..  trans74174.3-173.300000113.1G175 L176 L181 G182G175-G179 PolarHBondContact O-N 3.16Å; L176-G179 PolarHBondContact O-N 3.25Å; G179-L181 PolarHBondContact O-N 3.05Å; G179-G182 PolarHBondContact O-N 2.9Å
180K92.8Very high93.4Very high156 Ų15655 Ų5568%0.67829%0.293SS*.G310 helixtrans-63.3123.9-176.3-64.7173-175.4170.30109.6G182 S183K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.11Å; K180-S183 PolarHBondContact N-OG 2.79Å; K180-S183 VanDerWaalsContact O-CB 3.24Å; K180-S183 WeakPolarHBondContact O-CB 3.39Å; K180-S183 PolarHBondContact O-N 3.37Å; K180-S183 PolarHBondContact O-OG 3.02Å
181L90.8Very high93.6Very high169 Ų16962.2 Ų62.289%0.88532%0.319SS*.G310 helixtrans52.827.3-174.5-56.2175.3000114.4G179 R186G179-L181 PolarHBondContact O-N 3.05Å; L181-R186 VanDerWaalsContact O-CZ 3.32Å; L181-R186 PolarHBondContact O-NH1 3.04Å; L181-R186 PolarHBondContact O-NH2 2.71Å
182G91.9Very high94Very high10 Ų1061.2 Ų61.210%0.10332%0.315CS..G310 helixtrans76.318.9-175.900000114.6I178 G179 K180 Y184 V185 R186I178-G182 CarbonylContact O-C 3.13Å; I178-G182 WeakPolarHBondContact O-CA 3.34Å; G179-G182 PolarHBondContact O-N 2.9Å; K180-G182 PolarHBondContact O-N 2.95Å; K180-G182 VanDerWaalsContact O-N 3.11Å; G182-Y184 PolarHBondContact O-N 2.82Å; G182-V185 WeakPolarHBondContact O-CG1 3.4Å; G182-R186 WeakPolarHBondContact O-CG 3.5Å; G182-R186 PolarHBondContact O-N 2.61Å; G182-R186 VanDerWaalsContact O-N 3.16Å; G182-R186 PolarHBondContact O-NH1 2.87Å; G182-R186 VanDerWaalsContact O-NH1 3.07Å
183S95.6Very high94.2Very high63 Ų6360.7 Ų60.744%0.44132%0.319SS..Hα-helixtrans-57.2-45.4-176.663.80000112.8I178 K180 R186 E187I178-S183 PolarHBondContact O-N 2.81Å; K180-S183 PolarHBondContact N-OG 2.79Å; K180-S183 VanDerWaalsContact O-CB 3.24Å; K180-S183 WeakPolarHBondContact O-CB 3.39Å; K180-S183 PolarHBondContact O-N 3.37Å; K180-S183 PolarHBondContact O-OG 3.02Å; S183-R186 PolarHBondContact O-N 2.95Å; S183-E187 PolarHBondContact O-N 3.1Å
184Y96.2Very high94.2Very high27 Ų2760.8 Ų60.811%0.10632%0.32CS..Hα-helixtrans-78.3-38.6-173.1-164.1-112000111.8I178 G182 R186 E187 I188 K231I178-Y184 PolarHBondContact O-N 3.01Å; I178-Y184 VanDerWaalsContact O-N 3.11Å; G182-Y184 PolarHBondContact O-N 2.82Å; Y184-R186 PolarHBondContact O-N 2.78Å; Y184-E187 HydrophobicContact CD2-CB 4.34Å; Y184-E187 VanDerWaalsContact CD2-OE2 3.27Å; Y184-E187 WeakPolarHBondContact CD2-OE2 3.47Å; Y184-E187 WeakPolarHBondContact CE2-OE2 3.46Å; Y184-E187 WeakPolarHBondContact O-CB 3.37Å; Y184-E187 PolarHBondContact O-N 3.21Å; Y184-E187 VanDerWaalsContact O-N 3.07Å; Y184-I188 HydrophobicContact CD1-CD1 3.74Å; Y184-I188 HydrophobicContact CD1-CG1 4.06Å; Y184-I188 HydrophobicContact CE1-CD1 3.62Å; Y184-I188 HydrophobicContact CE1-CG1 3.79Å; Y184-I188 WeakPolarHBondContact O-CG1 3.31Å; Y184-I188 PolarHBondContact O-N 2.96Å; Y184-K231 HydrophobicContact CD1-CG 3.95Å; Y184-K231 HydrophobicContact CE1-CD 4Å; Y184-K231 HydrophobicContact CE1-CG 3.32Å; Y184-K231 VanDerWaalsContact CZ-CE 3.4Å
185V95.1Very high94.2Very high21 Ų2164.2 Ų64.213%0.12734%0.335CS..Hα-helixtrans-69.2-14.7172.7690000113.5V177 I178 G182 K189 I196 I198V177-V185 PolarHBondContact O-N 2.72Å; I178-V185 HydrophobicContact CG2-CG1 4.31Å; I178-V185 PolarHBondContact O-N 3.44Å; I178-V185 VanDerWaalsContact O-N 3.13Å; G182-V185 WeakPolarHBondContact O-CG1 3.4Å; V185-K189 WeakPolarHBondContact O-CD 3.22Å; V185-K189 WeakPolarHBondContact O-CE 3.02Å; V185-K189 VanDerWaalsContact O-CG 3.28Å; V185-K189 WeakPolarHBondContact O-CG 3.36Å; V185-I196 HydrophobicContact CG2-CB 4.4Å; V185-I196 HydrophobicContact CG2-CG2 3.96Å; V185-I198 HydrophobicContact CG2-CD1 4.06Å
186R95.2Very high94.3Very high140 Ų14062.5 Ų62.553%0.52832%0.317SS..Hα-helixtrans-77.8-52.3161.4-69.1-175.5-157.1871.7110.6L181 G182 S183 Y184 I188 K189 D190L181-R186 VanDerWaalsContact O-CZ 3.32Å; L181-R186 PolarHBondContact O-NH1 3.04Å; L181-R186 PolarHBondContact O-NH2 2.71Å; G182-R186 WeakPolarHBondContact O-CG 3.5Å; G182-R186 PolarHBondContact O-N 2.61Å; G182-R186 VanDerWaalsContact O-N 3.16Å; G182-R186 PolarHBondContact O-NH1 2.87Å; G182-R186 VanDerWaalsContact O-NH1 3.07Å; S183-R186 PolarHBondContact O-N 2.95Å; Y184-R186 PolarHBondContact O-N 2.78Å; R186-I188 VanDerWaalsContact C-N 3.3Å; R186-I188 PolarHBondContact O-N 2.73Å; R186-K189 WeakPolarHBondContact O-CA 3.48Å; R186-K189 WeakPolarHBondContact O-CB 3.38Å; R186-K189 PolarHBondContact O-N 3.33Å; R186-D190 VanDerWaalsContact O-CG 3.24Å; R186-D190 PolarHBondContact O-N 2.74Å
187E95.8Very high94.1Very high74 Ų7461.7 Ų61.735%0.34631%0.311SS..Hα-helixtrans-50.4-45.2179.5-163.6-154.5130.400113S183 Y184 K189 D190 R191S183-E187 PolarHBondContact O-N 3.1Å; Y184-E187 HydrophobicContact CD2-CB 4.34Å; Y184-E187 VanDerWaalsContact CD2-OE2 3.27Å; Y184-E187 WeakPolarHBondContact CD2-OE2 3.47Å; Y184-E187 WeakPolarHBondContact CE2-OE2 3.46Å; Y184-E187 WeakPolarHBondContact O-CB 3.37Å; Y184-E187 PolarHBondContact O-N 3.21Å; Y184-E187 VanDerWaalsContact O-N 3.07Å; E187-K189 VanDerWaalsContact C-N 3.35Å; E187-K189 PolarHBondContact O-N 2.82Å; E187-D190 PolarHBondContact O-N 2.64Å; E187-R191 HydrophobicContact CG-CG 4.29Å; E187-R191 VanDerWaalsContact O-CB 3.25Å; E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 WeakPolarHBondContact O-CG 3.5Å; E187-R191 PolarHBondContact O-N 3.07Å; E187-R191 WeakPolarHBondContact OE1-CD 3.37Å; E187-R191 IonicContact OE1-CZ 2.74Å; E187-R191 IonicContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH1 2.74Å; E187-R191 PolarHBondContact OE1-NH1 2.88Å
188I96Very high94Very high0 Ų063 Ų630%032%0.318CS..Hα-helixtrans-62.6-41.3177.9-53.3160.5000110.9V177 Y184 R186 T192 I196 A224 L227 V228V177-I188 HydrophobicContact CG1-CD1 4.18Å; Y184-I188 HydrophobicContact CD1-CD1 3.74Å; Y184-I188 HydrophobicContact CD1-CG1 4.06Å; Y184-I188 HydrophobicContact CE1-CD1 3.62Å; Y184-I188 HydrophobicContact CE1-CG1 3.79Å; Y184-I188 WeakPolarHBondContact O-CG1 3.31Å; Y184-I188 PolarHBondContact O-N 2.96Å; R186-I188 VanDerWaalsContact C-N 3.3Å; R186-I188 PolarHBondContact O-N 2.73Å; I188-T192 HydrophobicContact CG2-CG2 4.3Å; I188-T192 WeakPolarHBondContact O-CB 3.24Å; I188-T192 VanDerWaalsContact O-CG2 3.3Å; I188-T192 WeakPolarHBondContact O-CG2 3.42Å; I188-T192 PolarHBondContact O-N 3.3Å; I188-T192 VanDerWaalsContact O-N 3.12Å; I188-T192 PolarHBondContact O-OG1 3.39Å; I188-I196 HydrophobicContact CB-CD1 3.8Å; I188-I196 HydrophobicContact CG2-CD1 3.28Å; I188-A224 HydrophobicContact CG2-CB 4.07Å; I188-L227 HydrophobicContact CB-CD1 4.47Å; I188-L227 HydrophobicContact CG1-CB 4.21Å; I188-L227 HydrophobicContact CG1-CD1 4.47Å; I188-L227 HydrophobicContact CG2-CB 4.14Å; I188-L227 HydrophobicContact CG2-CD1 3.93Å; I188-V228 HydrophobicContact CD1-CG2 4.19Å
189K94.4Very high93.7Very high68 Ų6861.6 Ų61.630%0.29631%0.312SS..Hα-helixtrans-64.1-49.1176.8-65.7175.8-176.2-157.70111V185 R186 E187 R191 T192 G193 I196V185-K189 WeakPolarHBondContact O-CD 3.22Å; V185-K189 WeakPolarHBondContact O-CE 3.02Å; V185-K189 VanDerWaalsContact O-CG 3.28Å; V185-K189 WeakPolarHBondContact O-CG 3.36Å; R186-K189 WeakPolarHBondContact O-CA 3.48Å; R186-K189 WeakPolarHBondContact O-CB 3.38Å; R186-K189 PolarHBondContact O-N 3.33Å; E187-K189 VanDerWaalsContact C-N 3.35Å; E187-K189 PolarHBondContact O-N 2.82Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.26Å; K189-T192 PolarHBondContact O-N 3.25Å; K189-G193 WeakPolarHBondContact O-CA 3.45Å; K189-G193 PolarHBondContact O-N 3.21Å; K189-I196 WeakPolarHBondContact CE-O 3.31Å; K189-I196 HydrophobicContact CG-CB 4.21Å; K189-I196 HydrophobicContact CG-CG1 4.31Å; K189-I196 PolarHBondContact NZ-O 3.12Å
190D96Very high93.3Very high132 Ų13267.5 Ų67.571%0.70633%0.334SS*.Hα-helixtrans-64.5-32.6-176.7-57.2-27.7000111.3R186 E187R186-D190 VanDerWaalsContact O-CG 3.24Å; R186-D190 PolarHBondContact O-N 2.74Å; E187-D190 PolarHBondContact O-N 2.64Å
191R96.4Very high92.7Very high159 Ų15965.9 Ų65.960%0.633%0.327SS*.Hα-helixtrans-82.5-20.4177.8-72177.464.9173.70.4115.4E187 K189E187-R191 HydrophobicContact CG-CG 4.29Å; E187-R191 VanDerWaalsContact O-CB 3.25Å; E187-R191 WeakPolarHBondContact O-CB 3.37Å; E187-R191 WeakPolarHBondContact O-CG 3.5Å; E187-R191 PolarHBondContact O-N 3.07Å; E187-R191 WeakPolarHBondContact OE1-CD 3.37Å; E187-R191 IonicContact OE1-CZ 2.74Å; E187-R191 IonicContact OE1-NE 3.31Å; E187-R191 IonicContact OE1-NH1 2.74Å; E187-R191 PolarHBondContact OE1-NH1 2.88Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 PolarHBondContact O-N 3.26Å
192T96.1Very high91.6Very high19 Ų1958.5 Ų58.512%0.11729%0.29CS..Hα-helixtrans-121.1-19.6-17263.90000114.3I188 K189 A194 Q220 A223 A224 L227I188-T192 HydrophobicContact CG2-CG2 4.3Å; I188-T192 WeakPolarHBondContact O-CB 3.24Å; I188-T192 VanDerWaalsContact O-CG2 3.3Å; I188-T192 WeakPolarHBondContact O-CG2 3.42Å; I188-T192 PolarHBondContact O-N 3.3Å; I188-T192 VanDerWaalsContact O-N 3.12Å; I188-T192 PolarHBondContact O-OG1 3.39Å; K189-T192 PolarHBondContact O-N 3.25Å; T192-A194 PolarHBondContact O-N 2.99Å; T192-A194 WeakPolarHBondContact OG1-CB 3.36Å; T192-A194 PolarHBondContact OG1-N 2.94Å; T192-Q220 WeakPolarHBondContact O-CB 3.34Å; T192-Q220 WeakPolarHBondContact O-CG 3.49Å; T192-A223 HydrophobicContact CG2-CB 3.93Å; T192-A224 HydrophobicContact CG2-CB 4.21Å; T192-L227 HydrophobicContact CG2-CD1 3.92Å
193G93.3Very high90.5Very high48 Ų4864.4 Ų64.450%0.49532%0.323SS..  trans71.6-3.8-16900000114.5K189K189-G193 WeakPolarHBondContact O-CA 3.45Å; K189-G193 PolarHBondContact O-N 3.21Å
194A93.6Very high88.9Confident2 Ų267.7 Ų67.72%0.01733%0.332CS..  trans-73.2139.3-179.300000111.7T192 I196 I214 Q220 A224T192-A194 PolarHBondContact O-N 2.99Å; T192-A194 WeakPolarHBondContact OG1-CB 3.36Å; T192-A194 PolarHBondContact OG1-N 2.94Å; A194-I196 HydrophobicContact CB-CG1 4.46Å; A194-I196 PolarHBondContact O-N 3.16Å; A194-I214 HydrophobicContact CB-CG2 4.05Å; A194-Q220 HydrophobicContact CB-CB 4.1Å; A194-A224 HydrophobicContact CB-CB 3.92Å
195F92.4Very high87.6Confident72 Ų7267.8 Ų67.832%0.31633%0.334SS..EExtended strand (participates in β ladder)trans-77.5113.3169.1-179.6-86.7000110.1L157 W159 Q197 I214 A215L157-F195 HydrophobicContact CD2-CD1 3.73Å; L157-F195 HydrophobicContact CD2-CE1 3.38Å; L157-F195 HydrophobicContact CD2-CG 4.48Å; L157-F195 HydrophobicContact CD2-CZ 3.88Å; W159-F195 HydrophobicContact CE3-CB 4.25Å; W159-F195 HydrophobicContact CH2-CB 3.62Å; W159-F195 HydrophobicContact CH2-CG 4.46Å; W159-F195 HydrophobicContact CZ3-CB 3.36Å; W159-F195 HydrophobicContact CZ3-CD1 4.47Å; W159-F195 HydrophobicContact CZ3-CD2 4.45Å; W159-F195 AromaticContact CZ3-CG 3.87Å; W159-F195 HydrophobicContact CZ3-CG 3.87Å; F195-Q197 HydrophobicContact CE1-CB 3.82Å; F195-Q197 HydrophobicContact CZ-CB 4.43Å; F195-I214 WeakPolarHBondContact O-CA 3.47Å; F195-A215 HydrophobicContact CB-CB 4.4Å; F195-A215 PolarHBondContact N-O 2.77Å; F195-A215 PolarHBondContact O-N 3.4Å
196I93.5Very high86.5Confident1 Ų171.5 Ų71.51%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-110.3132.1178.4-55.3179.7000110.8V185 I188 K189 A194 I212 T213 I214 A224V185-I196 HydrophobicContact CG2-CB 4.4Å; V185-I196 HydrophobicContact CG2-CG2 3.96Å; I188-I196 HydrophobicContact CB-CD1 3.8Å; I188-I196 HydrophobicContact CG2-CD1 3.28Å; K189-I196 WeakPolarHBondContact CE-O 3.31Å; K189-I196 HydrophobicContact CG-CB 4.21Å; K189-I196 HydrophobicContact CG-CG1 4.31Å; K189-I196 PolarHBondContact NZ-O 3.12Å; A194-I196 HydrophobicContact CB-CG1 4.46Å; A194-I196 PolarHBondContact O-N 3.16Å; I196-I212 HydrophobicContact CG2-CG2 3.87Å; I196-T213 WeakPolarHBondContact CA-O 3.4Å; I196-I214 HydrophobicContact CG1-CG1 4.21Å; I196-I214 HydrophobicContact CG1-CG2 4.27Å; I196-I214 HydrophobicContact CG2-CG1 4.4Å; I196-A224 HydrophobicContact CD1-CB 4.01Å
197Q91Very high85.8Confident64 Ų6466 Ų6630%0.29933%0.334SS..EExtended strand (participates in β ladder)trans-133.7144.2173.5178.5169.5-7.700110.2F195 I212 T213F195-Q197 HydrophobicContact CE1-CB 3.82Å; F195-Q197 HydrophobicContact CZ-CB 4.43Å; Q197-I212 CarbonylContact O-C 3.56Å; Q197-I212 WeakPolarHBondContact O-CA 2.95Å; Q197-T213 PolarHBondContact N-O 2.89Å; Q197-T213 PolarHBondContact O-N 3.41Å
198I91.5Very high85.2Confident27 Ų2766.9 Ų66.914%0.13834%0.34CS..EExtended strand (participates in β ladder)trans-123.2132.9-179.2-56.2-178.4000107.3V177 I178 V185 I212V177-I198 HydrophobicContact CG1-CD1 4.2Å; I178-I198 HydrophobicContact CD1-CD1 4.28Å; I178-I198 HydrophobicContact CD1-CG2 4.36Å; I178-I198 HydrophobicContact CG1-CD1 3.54Å; V185-I198 HydrophobicContact CG2-CD1 4.06Å; I198-I212 HydrophobicContact CD1-CD1 3.91Å; I198-I212 HydrophobicContact CD1-CG1 4.24Å; I198-I212 HydrophobicContact CG1-CB 4.41Å; I198-I212 HydrophobicContact CG1-CD1 4.13Å; I198-I212 HydrophobicContact CG1-CG1 3.91Å; I198-I212 HydrophobicContact CG1-CG2 4.11Å; I198-I212 HydrophobicContact CG2-CG1 4.22Å
199S87Confident84.9Confident20 Ų2067.5 Ų67.514%0.1434%0.344CS..PPolyproline II helixtrans-61.9146.4-179.270.70000111R210 C211S199-R210 WeakPolarHBondContact O-CD 3.38Å; S199-R210 WeakPolarHBondContact OG-CB 3.4Å; S199-C211 PolarHBondContact N-O 2.83Å; S199-C211 PolarHBondContact OG-N 3.12Å
200Q84.8Confident84.7Confident145 Ų14565.8 Ų65.868%0.67834%0.335SS*.PPolyproline II helixtrans-69.2150173.9-65.4-178.3-3.300109.8S202Q200-S202 PolarHBondContact O-N 3.5Å
201K80.2Confident84.4Confident123 Ų12359.6 Ų59.654%0.53530%0.302SS..PPolyproline II helixtrans-74.6116.2169.2-173.1-167.6174.3-1660107.8N206K201-N206 WeakPolarHBondContact CE-OD1 3.37Å; K201-N206 PolarHBondContact NZ-OD1 3.43Å
202S67.8Low84.3Confident13 Ų1352 Ų529%0.09127%0.274CS..PPolyproline II helixtrans-63.6136.6170.523.10000110.6Q200 I205Q200-S202 PolarHBondContact O-N 3.5Å; S202-I205 WeakPolarHBondContact CB-O 3.28Å; S202-I205 PolarHBondContact OG-O 2.9Å
203V67.7Low84.1Confident134 Ų13451.5 Ų51.581%0.81227%0.27SS*.SBendtrans-76.7-41.4177.4-178.70000110.6
204E62.8Low84.2Confident133 Ų13349.2 Ų49.262%0.62125%0.247SC*.SBendtrans-76.9-42.5-175.7-66.3162.5-148.600112.8
205I69.4Low84.1Confident28 Ų2849.1 Ų49.114%0.14425%0.246CC..SBendtrans-111.2104.6176.2-53.5-173.6000109.1S202 L207 V249 G251 P252 V253S202-I205 WeakPolarHBondContact CB-O 3.28Å; S202-I205 PolarHBondContact OG-O 2.9Å; I205-L207 HydrophobicContact CG2-CG 4.19Å; I205-L207 PolarHBondContact O-N 3.28Å; I205-V249 HydrophobicContact CG2-CG1 4.12Å; I205-G251 VanDerWaalsContact CD1-C 3.41Å; I205-P252 WeakPolarHBondContact CD1-O 3.46Å; I205-V253 HydrophobicContact CD1-CG2 4Å; I205-V253 HydrophobicContact CG2-CG2 4.39Å
206N72.4Confident84Confident99 Ų9945.7 Ų45.753%0.52923%0.231SC..  trans-76.270.6174.6-78.2-83.5000110.9K201 L208K201-N206 WeakPolarHBondContact CE-OD1 3.37Å; K201-N206 PolarHBondContact NZ-OD1 3.43Å; N206-L208 PolarHBondContact O-N 3.27Å
207L79.2Confident84Confident25 Ų2549.5 Ų49.513%0.13125%0.249CC..  trans-57.3128162.3-76.6174.7000109.1N171 I205 E209 V249 V253N171-L207 PolarHBondContact ND2-O 2.92Å; I205-L207 HydrophobicContact CG2-CG 4.19Å; I205-L207 PolarHBondContact O-N 3.28Å; L207-E209 PolarHBondContact O-N 3.33Å; L207-V249 HydrophobicContact CD2-CG1 4.14Å; L207-V249 HydrophobicContact CD2-CG2 4.27Å; L207-V253 HydrophobicContact CD1-CB 4.46Å; L207-V253 HydrophobicContact CD1-CG1 3.61Å; L207-V253 HydrophobicContact CD1-CG2 4.04Å
208L84Confident84Confident92 Ų9247.7 Ų47.748%0.48224%0.243SC..SBendtrans-73.2-10.7-180-60.3174.9000112.6P170 N171 N206 Y241P170-L208 WeakPolarHBondContact CA-O 3.45Å; N171-L208 PolarHBondContact N-O 3.35Å; N171-L208 VanDerWaalsContact ND2-C 3.28Å; N171-L208 WeakPolarHBondContact ND2-CA 3.28Å; N171-L208 PolarHBondContact ND2-O 3.44Å; N206-L208 PolarHBondContact O-N 3.27Å; L208-Y241 HydrophobicContact CD1-CD1 4.08Å; L208-Y241 HydrophobicContact CD1-CE1 3.58Å
209E89.4Confident84.2Confident14 Ų1451.9 Ų51.97%0.06526%0.262CS..EExtended strand (participates in β ladder)trans-132.8147.5-174-56.4179.39900110.4K29 V169 L207 Y246K29-E209 WeakPolarHBondContact CD-OE1 3.3Å; K29-E209 VanDerWaalsContact CE-OE1 3.31Å; K29-E209 WeakPolarHBondContact CE-OE1 3.12Å; K29-E209 IonicContact NZ-OE1 2.68Å; K29-E209 PolarHBondContact NZ-OE1 3.04Å; K29-E209 IonicContact NZ-OE2 2.67Å; K29-E209 PolarHBondContact NZ-OE2 2.88Å; V169-E209 CarbonylContact O-C 3.54Å; V169-E209 WeakPolarHBondContact O-CA 3.28Å; L207-E209 PolarHBondContact O-N 3.33Å; E209-Y246 PolarHBondContact OE2-OH 2.82Å
210R89.6Confident84.5Confident31 Ų3153.8 Ų53.812%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-118149176.2-74.3-176.8-76.5141.9-1.2110.6V169 N171 A174 I178 S199V169-R210 PolarHBondContact N-O 2.85Å; V169-R210 PolarHBondContact O-N 2.91Å; N171-R210 PolarHBondContact O-NH2 3.11Å; N171-R210 VanDerWaalsContact O-NH2 3.11Å; N171-R210 WeakPolarHBondContact OD1-CD 3.39Å; N171-R210 WeakPolarHBondContact OD1-CG 3.39Å; N171-R210 PolarHBondContact OD1-NE 2.83Å; A174-R210 HydrophobicContact CB-CB 4.4Å; A174-R210 VanDerWaalsContact CB-NH2 3.31Å; I178-R210 VanDerWaalsContact CD1-NH1 3.31Å; S199-R210 WeakPolarHBondContact O-CD 3.38Å; S199-R210 WeakPolarHBondContact OG-CB 3.4Å
211C90.3Very high85Confident2 Ų247 Ų471%0.01424%0.237CC..EExtended strand (participates in β ladder)trans-88.5128.3176.1-174.40000110.3I167 L168 S199 A256I167-C211 CarbonylContact O-C 3.54Å; I167-C211 WeakPolarHBondContact O-CA 3.45Å; L168-C211 HydrophobicContact CD2-CB 3.86Å; S199-C211 PolarHBondContact N-O 2.83Å; S199-C211 PolarHBondContact OG-N 3.12Å; C211-A256 HydrophobicContact CB-CB 4.38Å
212I93.8Very high85.7Confident0 Ų044.3 Ų44.30%022%0.223CC..EExtended strand (participates in β ladder)trans-100.7119.3166.8-54.7-166.5000107.5K166 I167 V169 V177 I196 Q197 I198 I214K166-I212 CarbonylContact C-O 3.54Å; K166-I212 WeakPolarHBondContact CA-O 3.45Å; I167-I212 PolarHBondContact N-O 3.21Å; I167-I212 PolarHBondContact O-N 3.3Å; V169-I212 HydrophobicContact CG2-CD1 3.59Å; V169-I212 HydrophobicContact CG2-CG1 3.7Å; V177-I212 HydrophobicContact CB-CD1 4.23Å; V177-I212 HydrophobicContact CG1-CD1 3.7Å; I196-I212 HydrophobicContact CG2-CG2 3.87Å; Q197-I212 CarbonylContact O-C 3.56Å; Q197-I212 WeakPolarHBondContact O-CA 2.95Å; I198-I212 HydrophobicContact CD1-CD1 3.91Å; I198-I212 HydrophobicContact CD1-CG1 4.24Å; I198-I212 HydrophobicContact CG1-CB 4.41Å; I198-I212 HydrophobicContact CG1-CD1 4.13Å; I198-I212 HydrophobicContact CG1-CG1 3.91Å; I198-I212 HydrophobicContact CG1-CG2 4.11Å; I198-I212 HydrophobicContact CG2-CG1 4.22Å; I212-I214 HydrophobicContact CG2-CD1 4.37Å; I212-I214 HydrophobicContact CG2-CG1 3.96Å
213T92.9Very high87Confident8 Ų845.7 Ų45.75%0.04924%0.236CC..EExtended strand (participates in β ladder)trans-98.9127.8170.3-57.30000109V165 K166 I196 Q197V165-T213 WeakPolarHBondContact O-CA 3.32Å; K166-T213 HydrophobicContact CG-CG2 4.24Å; I196-T213 WeakPolarHBondContact CA-O 3.4Å; Q197-T213 PolarHBondContact N-O 2.89Å; Q197-T213 PolarHBondContact O-N 3.41Å
214I94.3Very high88.4Confident0 Ų039.3 Ų39.30%020%0.197CC..EExtended strand (participates in β ladder)trans-120.7125177.8-56.2178000107.2Q164 V165 A194 F195 I196 I212 A224 V225 V228Q164-I214 CarbonylContact C-O 3.51Å; Q164-I214 WeakPolarHBondContact CA-O 3.33Å; V165-I214 HydrophobicContact CB-CB 4.46Å; V165-I214 PolarHBondContact N-O 3.19Å; V165-I214 PolarHBondContact O-N 3.38Å; A194-I214 HydrophobicContact CB-CG2 4.05Å; F195-I214 WeakPolarHBondContact O-CA 3.47Å; I196-I214 HydrophobicContact CG1-CG1 4.21Å; I196-I214 HydrophobicContact CG1-CG2 4.27Å; I196-I214 HydrophobicContact CG2-CG1 4.4Å; I212-I214 HydrophobicContact CG2-CD1 4.37Å; I212-I214 HydrophobicContact CG2-CG1 3.96Å; I214-A224 HydrophobicContact CD1-CB 4.27Å; I214-A224 HydrophobicContact CG2-CB 3.78Å; I214-V225 HydrophobicContact CD1-CG2 3.72Å; I214-V228 HydrophobicContact CD1-CG2 4.37Å
215A92.4Very high89.9Confident0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-131.2141.9-177.400000110.8W159 Q164 F195W159-A215 HydrophobicContact CB-CB 4.15Å; W159-A215 HydrophobicContact CD2-CB 3.83Å; W159-A215 HydrophobicContact CE3-CB 3.47Å; W159-A215 VanDerWaalsContact CE3-CB 3.47Å; W159-A215 HydrophobicContact CG-CB 4.12Å; W159-A215 HydrophobicContact CZ3-CB 4.19Å; Q164-A215 HydrophobicContact CG-CB 3.85Å; F195-A215 HydrophobicContact CB-CB 4.4Å; F195-A215 PolarHBondContact N-O 2.77Å; F195-A215 PolarHBondContact O-N 3.4Å
216G91Very high91.1Very high0 Ų034.7 Ų34.70%018%0.177CC..SBendtrans166.5-164.6-174.200000112.4
217E92.5Very high92.2Very high81 Ų8131.4 Ų31.438%0.37916%0.159SC..  trans-76152.8160.7-67.8-53.3141.900110.8K163 E219 Q220 C221K163-E217 IonicContact NZ-OE1 2.73Å; K163-E217 PolarHBondContact NZ-OE1 3.34Å; K163-E217 IonicContact NZ-OE2 2.65Å; K163-E217 PolarHBondContact NZ-OE2 2.78Å; E217-E219 VanDerWaalsContact C-N 3.26Å; E217-E219 PolarHBondContact O-N 2.91Å; E217-E219 VanDerWaalsContact O-N 3.16Å; E217-Q220 HydrophobicContact CB-CG 4.21Å; E217-Q220 WeakPolarHBondContact O-CA 3.45Å; E217-Q220 WeakPolarHBondContact O-CB 3.21Å; E217-Q220 PolarHBondContact O-N 3.44Å; E217-C221 PolarHBondContact O-N 2.92Å
218P91.9Very high93Very high26 Ų2630.2 Ų30.217%0.16915%0.153CC..Hα-helixtrans-58.8-33.5-169.716.8-27.1000113.9M93 L97 C221 R222M93-P218 HydrophobicContact CE-CB 3.51Å; M93-P218 HydrophobicContact SD-CB 4.47Å; L97-P218 HydrophobicContact CD1-CB 3.91Å; P218-C221 PolarHBondContact O-N 2.9Å; P218-R222 VanDerWaalsContact O-CG 3.3Å; P218-R222 WeakPolarHBondContact O-CG 3.37Å; P218-R222 PolarHBondContact O-N 3.37Å
219E93.9Very high93.4Very high116 Ų11625.8 Ų25.854%0.54213%0.13SC..Hα-helixtrans-64.9-40.2175-66.360.8-128.400111.5E217 R222 A223E217-E219 VanDerWaalsContact C-N 3.26Å; E217-E219 PolarHBondContact O-N 2.91Å; E217-E219 VanDerWaalsContact O-N 3.16Å; E219-R222 IonicContact OE1-NH1 2.71Å; E219-R222 PolarHBondContact OE1-NH1 3.16Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.91Å; E219-A223 VanDerWaalsContact O-N 3.08Å
220Q94.9Very high93.6Very high59 Ų5926.9 Ų26.928%0.27614%0.141SC..Hα-helixtrans-68.1-42.4176.8-53.1179.8-48.500110.6T192 A194 E217 A224T192-Q220 WeakPolarHBondContact O-CB 3.34Å; T192-Q220 WeakPolarHBondContact O-CG 3.49Å; A194-Q220 HydrophobicContact CB-CB 4.1Å; E217-Q220 HydrophobicContact CB-CG 4.21Å; E217-Q220 WeakPolarHBondContact O-CA 3.45Å; E217-Q220 WeakPolarHBondContact O-CB 3.21Å; E217-Q220 PolarHBondContact O-N 3.44Å; Q220-A224 VanDerWaalsContact O-CB 3.28Å; Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.02Å
221C93.7Very high93.7Very high3 Ų327.1 Ų27.12%0.0214%0.143CC..Hα-helixtrans-61.6-46.7175.3-73.60000112M93 V165 E217 P218 A224 V225M93-C221 HydrophobicContact SD-CB 4.02Å; V165-C221 HydrophobicContact CG2-CB 4.28Å; E217-C221 PolarHBondContact O-N 2.92Å; P218-C221 PolarHBondContact O-N 2.9Å; C221-A224 PolarHBondContact O-N 3.07Å; C221-V225 VanDerWaalsContact O-CG2 3.28Å; C221-V225 WeakPolarHBondContact O-CG2 3.03Å; C221-V225 PolarHBondContact O-N 3.18Å
222R95.1Very high93.8Very high66 Ų6627.2 Ų27.225%0.24914%0.143CC..Hα-helixtrans-57.1-53.6175.4-71.6170.6-177.4145-3.6111.1M93 D94 P218 E219 A224 V225 D226M93-R222 HydrophobicContact CE-CG 3.69Å; M93-R222 HydrophobicContact SD-CG 4.01Å; D94-R222 IonicContact OD1-CZ 2.71Å; D94-R222 IonicContact OD1-NH2 2.7Å; D94-R222 PolarHBondContact OD1-NH2 3.25Å; D94-R222 IonicContact OD2-NH2 3.73Å; D94-R222 PolarHBondContact OD2-NH2 2.9Å; P218-R222 VanDerWaalsContact O-CG 3.3Å; P218-R222 WeakPolarHBondContact O-CG 3.37Å; P218-R222 PolarHBondContact O-N 3.37Å; E219-R222 IonicContact OE1-NH1 2.71Å; E219-R222 PolarHBondContact OE1-NH1 3.16Å; R222-A224 VanDerWaalsContact C-N 3.31Å; R222-A224 PolarHBondContact O-N 3.3Å; R222-V225 PolarHBondContact O-N 3.44Å; R222-D226 PolarHBondContact O-N 3.38Å
223A95.7Very high93.6Very high42 Ų4228.1 Ų28.135%0.34715%0.151SC..Hα-helixtrans-61.4-35.2-179.500000113.6T192 E219 L227T192-A223 HydrophobicContact CG2-CB 3.93Å; E219-A223 WeakPolarHBondContact O-CB 3.45Å; E219-A223 PolarHBondContact O-N 2.91Å; E219-A223 VanDerWaalsContact O-N 3.08Å; A223-L227 PolarHBondContact O-N 3.13Å
224A96.3Very high93.4Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-69.2-37.6174.200000112.5I188 T192 A194 I196 I214 Q220 C221 R222 L227 V228I188-A224 HydrophobicContact CG2-CB 4.07Å; T192-A224 HydrophobicContact CG2-CB 4.21Å; A194-A224 HydrophobicContact CB-CB 3.92Å; I196-A224 HydrophobicContact CD1-CB 4.01Å; I214-A224 HydrophobicContact CD1-CB 4.27Å; I214-A224 HydrophobicContact CG2-CB 3.78Å; Q220-A224 VanDerWaalsContact O-CB 3.28Å; Q220-A224 WeakPolarHBondContact O-CB 3.48Å; Q220-A224 PolarHBondContact O-N 3.02Å; C221-A224 PolarHBondContact O-N 3.07Å; R222-A224 VanDerWaalsContact C-N 3.31Å; R222-A224 PolarHBondContact O-N 3.3Å; A224-L227 PolarHBondContact O-N 3.5Å; A224-V228 WeakPolarHBondContact O-CG2 3.21Å; A224-V228 PolarHBondContact O-N 2.97Å; A224-V228 VanDerWaalsContact O-N 3.12Å
225V95.6Very high93.1Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-69.2-38.7177171.40000111.7V165 I167 I214 C221 R222 L227 V228 L229V165-V225 HydrophobicContact CG1-CG2 4.11Å; I167-V225 HydrophobicContact CD1-CB 4.45Å; I167-V225 HydrophobicContact CD1-CG1 3.93Å; I167-V225 HydrophobicContact CD1-CG2 3.86Å; I214-V225 HydrophobicContact CD1-CG2 3.72Å; C221-V225 VanDerWaalsContact O-CG2 3.28Å; C221-V225 WeakPolarHBondContact O-CG2 3.03Å; C221-V225 PolarHBondContact O-N 3.18Å; R222-V225 PolarHBondContact O-N 3.44Å; V225-L227 VanDerWaalsContact C-N 3.32Å; V225-L227 PolarHBondContact O-N 3.3Å; V225-V228 CarbonylContact O-C 3.57Å; V225-V228 PolarHBondContact O-N 3.35Å; V225-V228 VanDerWaalsContact O-N 3.16Å; V225-L229 HydrophobicContact CG1-CD1 3.88Å; V225-L229 HydrophobicContact CG1-CG 4.24Å; V225-L229 WeakPolarHBondContact O-CB 3.17Å; V225-L229 PolarHBondContact O-N 2.98Å
226D95.1Very high92.5Very high65 Ų6539.1 Ų39.135%0.34821%0.212SC..Hα-helixtrans-62.5-38176.4-72.8-41.1000112.2T86 R222 L229 A230T86-D226 WeakPolarHBondContact CG2-OD1 3.32Å; T86-D226 PolarHBondContact OG1-OD1 3.46Å; R222-D226 PolarHBondContact O-N 3.38Å; D226-L229 PolarHBondContact O-N 3.19Å; D226-A230 PolarHBondContact O-N 3.49Å
227L95Very high91.8Very high29 Ų2943.6 Ų43.615%0.15223%0.233CC..Hα-helixtrans-68.3-35.6173.4-70.1170.9000112.8I188 T192 A223 A224 V225 K231I188-L227 HydrophobicContact CB-CD1 4.47Å; I188-L227 HydrophobicContact CG1-CB 4.21Å; I188-L227 HydrophobicContact CG1-CD1 4.47Å; I188-L227 HydrophobicContact CG2-CB 4.14Å; I188-L227 HydrophobicContact CG2-CD1 3.93Å; T192-L227 HydrophobicContact CG2-CD1 3.92Å; A223-L227 PolarHBondContact O-N 3.13Å; A224-L227 PolarHBondContact O-N 3.5Å; V225-L227 VanDerWaalsContact C-N 3.32Å; V225-L227 PolarHBondContact O-N 3.3Å; L227-K231 PolarHBondContact O-N 2.93Å
228V94.9Very high91.1Very high0 Ų040.4 Ų40.40%022%0.22CC..Hα-helixtrans-68.5-41.7172.4170.90000111V177 I188 I214 A224 V225 A230 K231 I232V177-V228 HydrophobicContact CG1-CG2 4.04Å; V177-V228 HydrophobicContact CG2-CG1 4.31Å; I188-V228 HydrophobicContact CD1-CG2 4.19Å; I214-V228 HydrophobicContact CD1-CG2 4.37Å; A224-V228 WeakPolarHBondContact O-CG2 3.21Å; A224-V228 PolarHBondContact O-N 2.97Å; A224-V228 VanDerWaalsContact O-N 3.12Å; V225-V228 CarbonylContact O-C 3.57Å; V225-V228 PolarHBondContact O-N 3.35Å; V225-V228 VanDerWaalsContact O-N 3.16Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 3.38Å; V228-K231 PolarHBondContact O-N 3.08Å; V228-K231 VanDerWaalsContact O-N 3.08Å; V228-I232 HydrophobicContact CG1-CD1 3.94Å; V228-I232 HydrophobicContact CG1-CG1 4.42Å; V228-I232 WeakPolarHBondContact O-CG1 3.44Å; V228-I232 PolarHBondContact O-N 3.27Å
229L93.8Very high90.4Very high0 Ų041.2 Ų41.20%023%0.228CC..Hα-helixtrans-62.7-37.2177-85.5170.3000112.5I26 L28 L82 V85 T86 V225 D226 K231 I232 A233I26-L229 HydrophobicContact CG2-CD2 4.46Å; L28-L229 HydrophobicContact CB-CD2 4.35Å; L28-L229 HydrophobicContact CD1-CD2 4.1Å; L28-L229 HydrophobicContact CD2-CD2 4.18Å; L28-L229 HydrophobicContact CG-CD2 4.43Å; L82-L229 HydrophobicContact CD1-CB 3.99Å; V85-L229 HydrophobicContact CG1-CD1 4.25Å; V85-L229 HydrophobicContact CG1-CD2 3.69Å; T86-L229 WeakPolarHBondContact OG1-CD1 3.25Å; V225-L229 HydrophobicContact CG1-CD1 3.88Å; V225-L229 HydrophobicContact CG1-CG 4.24Å; V225-L229 WeakPolarHBondContact O-CB 3.17Å; V225-L229 PolarHBondContact O-N 2.98Å; D226-L229 PolarHBondContact O-N 3.19Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 3.38Å; L229-I232 HydrophobicContact CD2-CD1 4.25Å; L229-I232 PolarHBondContact O-N 2.86Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.38Å
230A92.5Very high89.4Confident36 Ų3639.8 Ų39.830%0.29822%0.224SC..Hα-helixtrans-57-41.2171.300000111.9D226 V228 A233 E234D226-A230 PolarHBondContact O-N 3.49Å; V228-A230 VanDerWaalsContact C-N 3.33Å; V228-A230 PolarHBondContact O-N 3.38Å; A230-A233 PolarHBondContact O-N 2.88Å; A230-E234 WeakPolarHBondContact O-CG 3.34Å; A230-E234 PolarHBondContact O-N 3.08Å
231K91.9Very high88.4Confident36 Ų3641.1 Ų41.116%0.15723%0.227CC..Hα-helixtrans-74.8-28.3175.8-64-47.4-173.9-170.20114.4V177 Y184 L227 V228 L229 A233 E234 D235V177-K231 HydrophobicContact CG2-CB 3.78Å; V177-K231 HydrophobicContact CG2-CG 4.42Å; Y184-K231 HydrophobicContact CD1-CG 3.95Å; Y184-K231 HydrophobicContact CE1-CD 4Å; Y184-K231 HydrophobicContact CE1-CG 3.32Å; Y184-K231 VanDerWaalsContact CZ-CE 3.4Å; L227-K231 PolarHBondContact O-N 2.93Å; V228-K231 PolarHBondContact O-N 3.08Å; V228-K231 VanDerWaalsContact O-N 3.08Å; L229-K231 VanDerWaalsContact C-N 3.28Å; L229-K231 PolarHBondContact O-N 3.38Å; K231-A233 VanDerWaalsContact C-N 3.31Å; K231-E234 VanDerWaalsContact CD-CD 3.49Å; K231-E234 WeakPolarHBondContact CD-OE1 3.33Å; K231-E234 VanDerWaalsContact CD-OE2 3.23Å; K231-E234 WeakPolarHBondContact CD-OE2 3.2Å; K231-E234 IonicContact NZ-OE1 3.61Å; K231-E234 PolarHBondContact NZ-OE1 3.24Å; K231-E234 IonicContact NZ-OE2 2.87Å; K231-E234 PolarHBondContact NZ-OE2 3.11Å; K231-E234 PolarHBondContact O-N 2.9Å; K231-D235 PolarHBondContact O-N 3.32Å
232I92.3Very high87.6Confident4 Ų444 Ų442%0.02125%0.246CC..Hα-helixtrans-66.8-36.5169.5-62.9168.4000110.1I26 L28 V169 T173 V228 L229 D235 S238I26-I232 HydrophobicContact CG2-CG2 3.86Å; L28-I232 HydrophobicContact CD1-CD1 3.91Å; V169-I232 HydrophobicContact CG1-CD1 3.6Å; V169-I232 HydrophobicContact CG1-CG1 3.74Å; T173-I232 HydrophobicContact CG2-CB 4.32Å; T173-I232 HydrophobicContact CG2-CG1 3.87Å; V228-I232 HydrophobicContact CG1-CD1 3.94Å; V228-I232 HydrophobicContact CG1-CG1 4.42Å; V228-I232 WeakPolarHBondContact O-CG1 3.44Å; V228-I232 PolarHBondContact O-N 3.27Å; L229-I232 HydrophobicContact CD2-CD1 4.25Å; L229-I232 PolarHBondContact O-N 2.86Å; I232-D235 PolarHBondContact O-N 3.13Å; I232-S238 WeakPolarHBondContact O-CB 3.26Å; I232-S238 PolarHBondContact O-OG 3.21Å
233A90.4Very high86.9Confident20 Ų2043.6 Ų43.617%0.16526%0.256CS..Hα-helixtrans-78.2-20.8176.600000114.7I26 L229 A230 K231I26-A233 HydrophobicContact CD1-CB 3.62Å; I26-A233 HydrophobicContact CG1-CB 4.21Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.38Å; A230-A233 PolarHBondContact O-N 2.88Å; K231-A233 VanDerWaalsContact C-N 3.31Å
234E89Confident86.2Confident108 Ų10843 Ų4351%0.50525%0.247SC..Hα-helixtrans-75.1-25169.5-78.6173.7-148.100112.7A230 K231 P236A230-E234 WeakPolarHBondContact O-CG 3.34Å; A230-E234 PolarHBondContact O-N 3.08Å; K231-E234 VanDerWaalsContact CD-CD 3.49Å; K231-E234 WeakPolarHBondContact CD-OE1 3.33Å; K231-E234 VanDerWaalsContact CD-OE2 3.23Å; K231-E234 WeakPolarHBondContact CD-OE2 3.2Å; K231-E234 IonicContact NZ-OE1 3.61Å; K231-E234 PolarHBondContact NZ-OE1 3.24Å; K231-E234 IonicContact NZ-OE2 2.87Å; K231-E234 PolarHBondContact NZ-OE2 3.11Å; K231-E234 PolarHBondContact O-N 2.9Å; E234-P236 WeakPolarHBondContact O-CD 3.23Å
235D88Confident85.4Confident14 Ų1445.3 Ų45.38%0.07526%0.263CS..  trans-100.3109.2-174.5-1787.4000112.4T173 L176 K231 I232 Q237 S238T173-D235 VanDerWaalsContact CA-OD2 3.23Å; T173-D235 WeakPolarHBondContact CA-OD2 3.5Å; T173-D235 VanDerWaalsContact CB-OD2 3.25Å; T173-D235 WeakPolarHBondContact CB-OD2 3.3Å; T173-D235 HydrophobicContact CG2-CB 4.07Å; T173-D235 PolarHBondContact N-OD2 3.49Å; T173-D235 PolarHBondContact OG1-OD2 3.49Å; L176-D235 HydrophobicContact CD1-CB 3.74Å; K231-D235 PolarHBondContact O-N 3.32Å; I232-D235 PolarHBondContact O-N 3.13Å; D235-Q237 PolarHBondContact O-N 3.18Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.41Å; D235-Q237 VanDerWaalsContact OD1-CB 3.29Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.43Å; D235-Q237 PolarHBondContact OD1-N 3.18Å; D235-S238 VanDerWaalsContact O-CB 3.26Å; D235-S238 WeakPolarHBondContact O-CB 3.48Å; D235-S238 PolarHBondContact O-N 3.19Å; D235-S238 PolarHBondContact O-OG 3.19Å
236P78.2Confident84.8Confident116 Ų11646.3 Ų46.375%0.75327%0.267SS*.G310 helixtrans-66.8-17.4176.629.4-35.5000113.1E234 S238E234-P236 WeakPolarHBondContact O-CD 3.23Å; P236-S238 VanDerWaalsContact C-N 3.32Å
237Q76.5Confident83.9Confident95 Ų9546.5 Ų46.544%0.44427%0.273SS..G310 helixtrans-79.3-13.1177-59-162.8-30.800113.4C172 D235 A239 I240C172-Q237 PolarHBondContact SG-OE1 3.32Å; D235-Q237 PolarHBondContact O-N 3.18Å; D235-Q237 WeakPolarHBondContact OD1-CA 3.41Å; D235-Q237 VanDerWaalsContact OD1-CB 3.29Å; D235-Q237 WeakPolarHBondContact OD1-CB 3.43Å; D235-Q237 PolarHBondContact OD1-N 3.18Å; Q237-A239 PolarHBondContact O-N 2.97Å; Q237-I240 HydrophobicContact CB-CD1 3.8Å; Q237-I240 HydrophobicContact CG-CD1 3.92Å; Q237-I240 WeakPolarHBondContact O-CB 3.43Å; Q237-I240 WeakPolarHBondContact O-CG1 3.25Å; Q237-I240 PolarHBondContact O-N 2.82Å; Q237-I240 VanDerWaalsContact O-N 3.08Å
238S77.7Confident82.9Confident14 Ų1453.3 Ų53.310%0.09830%0.304CS..G310 helixtrans-49.6-32.4173.9-66.10000113.3T173 I232 D235 P236T173-S238 WeakPolarHBondContact CG2-OG 3.47Å; T173-S238 PolarHBondContact OG1-OG 2.61Å; I232-S238 WeakPolarHBondContact O-CB 3.26Å; I232-S238 PolarHBondContact O-OG 3.21Å; D235-S238 VanDerWaalsContact O-CB 3.26Å; D235-S238 WeakPolarHBondContact O-CB 3.48Å; D235-S238 PolarHBondContact O-N 3.19Å; D235-S238 PolarHBondContact O-OG 3.19Å; P236-S238 VanDerWaalsContact C-N 3.32Å
239A77.3Confident81.9Confident42 Ų4255.6 Ų55.635%0.34732%0.318SS..G310 helixtrans-78.6-16.3-175.800000115.5Q237 Y241Q237-A239 PolarHBondContact O-N 2.97Å; A239-Y241 VanDerWaalsContact C-N 3.26Å; A239-Y241 PolarHBondContact O-N 3.46Å
240I73.5Confident80.3Confident86 Ų8666.4 Ų66.444%0.44136%0.358SS..SBendtrans-68.6-22.5-163.6-65.4177000113.2Q237 P242Q237-I240 HydrophobicContact CB-CD1 3.8Å; Q237-I240 HydrophobicContact CG-CD1 3.92Å; Q237-I240 WeakPolarHBondContact O-CB 3.43Å; Q237-I240 WeakPolarHBondContact O-CG1 3.25Å; Q237-I240 PolarHBondContact O-N 2.82Å; Q237-I240 VanDerWaalsContact O-N 3.08Å; I240-P242 VanDerWaalsContact C-CD 3.41Å; I240-P242 WeakPolarHBondContact O-CD 3.39Å
241Y74.3Confident78.8Confident88 Ų8867.3 Ų67.335%0.34537%0.371SS..  trans-11868.2-172.6-58.7-65.3000113.9K29 P170 L208 A239 A243K29-Y241 WeakPolarHBondContact CE-O 3.45Å; K29-Y241 PolarHBondContact NZ-O 3.16Å; P170-Y241 HydrophobicContact CB-CD2 4.06Å; P170-Y241 HydrophobicContact CB-CE2 4.4Å; P170-Y241 HydrophobicContact CG-CD2 4.02Å; L208-Y241 HydrophobicContact CD1-CD1 4.08Å; L208-Y241 HydrophobicContact CD1-CE1 3.58Å; A239-Y241 VanDerWaalsContact C-N 3.26Å; A239-Y241 PolarHBondContact O-N 3.46Å; Y241-A243 PolarHBondContact O-N 3.37Å
242P77.6Confident77.3Confident64 Ų6468.3 Ų68.342%0.41638%0.381SS..  trans-74.611.217933.4-37.7000114.7L77 I240 I244L77-P242 HydrophobicContact CD2-CB 4.3Å; L77-P242 WeakPolarHBondContact CD2-O 3.17Å; I240-P242 VanDerWaalsContact C-CD 3.41Å; I240-P242 WeakPolarHBondContact O-CD 3.39Å; P242-I244 WeakPolarHBondContact O-CG1 3.44Å
243A79Confident75.8Confident56 Ų5669 Ų6946%0.46339%0.385SS..  trans-66.1137-178.600000112.6K29 Y241 Y246K29-A243 VanDerWaalsContact CE-O 3.22Å; K29-A243 WeakPolarHBondContact CE-O 3.27Å; K29-A243 PolarHBondContact NZ-O 2.79Å; Y241-A243 PolarHBondContact O-N 3.37Å; A243-Y246 PolarHBondContact O-OH 3.07Å
244I81Confident74.4Confident30 Ų3068.6 Ų68.615%0.15438%0.382CS..  trans-119.5-21.7-175.7-36179000112.4K60 V75 L77 P242K60-I244 HydrophobicContact CB-CD1 3.53Å; K60-I244 HydrophobicContact CD-CD1 4.02Å; K60-I244 HydrophobicContact CG-CD1 4.44Å; V75-I244 HydrophobicContact CB-CG2 4.04Å; V75-I244 HydrophobicContact CG1-CG2 4.11Å; L77-I244 HydrophobicContact CB-CD1 3.82Å; L77-I244 HydrophobicContact CB-CG1 4.07Å; L77-I244 HydrophobicContact CD2-CD1 3.81Å; L77-I244 HydrophobicContact CD2-CG1 4Å; L77-I244 HydrophobicContact CG-CD1 4.48Å; P242-I244 WeakPolarHBondContact O-CG1 3.44Å
245S80.9Confident73.1Confident49 Ų4964.8 Ų64.834%0.34337%0.368SS..  trans-97.9131173174.40000110.2D66 S247D66-S245 VanDerWaalsContact OD1-CB 3.3Å; D66-S245 WeakPolarHBondContact OD1-CB 3.19Å; D66-S245 PolarHBondContact OD1-OG 3.18Å; S245-S247 WeakPolarHBondContact OG-CB 3.24Å; S245-S247 PolarHBondContact OG-N 3.11Å; S245-S247 PolarHBondContact OG-OG 3.08Å
246Y82.6Confident71.7Confident21 Ų2164.5 Ų64.58%0.08237%0.367CS..  trans-112.612.9177.4-62.9-100.6000111.7K29 Y68 V75 E209 A243 H248 V249K29-Y246 PolarHBondContact NZ-OH 2.92Å; Y68-Y246 HydrophobicContact CD2-CD1 4.15Å; Y68-Y246 HydrophobicContact CD2-CD2 4.23Å; Y68-Y246 HydrophobicContact CD2-CE1 4.11Å; Y68-Y246 HydrophobicContact CD2-CE2 4.24Å; Y68-Y246 HydrophobicContact CD2-CG 4.22Å; Y68-Y246 HydrophobicContact CE2-CD1 4.23Å; Y68-Y246 AromaticContact CE2-CE1 3.97Å; Y68-Y246 HydrophobicContact CE2-CE1 3.97Å; V75-Y246 HydrophobicContact CB-CE2 4.24Å; V75-Y246 HydrophobicContact CG1-CE2 4.12Å; V75-Y246 HydrophobicContact CG2-CD2 3.86Å; V75-Y246 HydrophobicContact CG2-CE2 3.63Å; E209-Y246 PolarHBondContact OE2-OH 2.82Å; A243-Y246 PolarHBondContact O-OH 3.07Å; Y246-H248 PolarHBondContact O-N 3.03Å; Y246-V249 WeakPolarHBondContact O-CB 3.46Å; Y246-V249 PolarHBondContact O-N 2.73Å
247S76Confident70.9Confident68 Ų6862.5 Ų62.548%0.47635%0.345SS..THydrogen-bonded Turntrans-53.5-20.5-177.253.10000115.9S245S245-S247 WeakPolarHBondContact OG-CB 3.24Å; S245-S247 PolarHBondContact OG-N 3.11Å; S245-S247 PolarHBondContact OG-OG 3.08Å
248H73.1Confident69.7Low172 Ų17260.7 Ų60.780%0.79634%0.342SS*.THydrogen-bonded Turntrans-88-14.8177.8-60.684.2000113.3Y246 R250Y246-H248 PolarHBondContact O-N 3.03Å; H248-R250 PolarHBondContact O-N 3.25Å
249V73.6Confident68.4Low48 Ų4862.9 Ų62.929%0.29135%0.354SS..  trans-78.5106.1178.6-175.80000109.1P69 I205 L207 Y246 V253P69-V249 HydrophobicContact CG-CB 4.3Å; P69-V249 HydrophobicContact CG-CG1 4.14Å; I205-V249 HydrophobicContact CG2-CG1 4.12Å; L207-V249 HydrophobicContact CD2-CG1 4.14Å; L207-V249 HydrophobicContact CD2-CG2 4.27Å; Y246-V249 WeakPolarHBondContact O-CB 3.46Å; Y246-V249 PolarHBondContact O-N 2.73Å; V249-V253 HydrophobicContact CG1-CG2 3.92Å
250R62Low66.9Low228 Ų22865.6 Ų65.686%0.8639%0.387SS*.  trans-112.9137.7176-64.9-176.6177.6-174.2-0.9110.7H248H248-R250 PolarHBondContact O-N 3.25Å
251G60.5Low65.6Low54 Ų5464.3 Ų64.356%0.55739%0.385SS*.SBendtrans122.6-177.9176.100000113.6I205 V253I205-G251 VanDerWaalsContact CD1-C 3.41Å; G251-V253 PolarHBondContact O-N 2.95Å
252P61Low64.4Low57 Ų5763.1 Ų63.137%0.3739%0.389SS..  trans-72.696.3-178.530.7-35.3000111.8I205 F263I205-P252 WeakPolarHBondContact CD1-O 3.46Å; P252-F263 HydrophobicContact CB-CD1 3.97Å; P252-F263 HydrophobicContact CB-CE1 4.3Å
253V60.4Low63.1Low18 Ų1864.7 Ų64.711%0.10939%0.389CS..PPolyproline II helixtrans-76.3136.1171.7163.20000110.4P69 I205 L207 V249 G251 S255P69-V253 HydrophobicContact CB-CB 4.19Å; P69-V253 HydrophobicContact CB-CG1 4.46Å; P69-V253 HydrophobicContact CB-CG2 3.8Å; P69-V253 HydrophobicContact CG-CB 4.47Å; P69-V253 HydrophobicContact CG-CG1 4.36Å; P69-V253 HydrophobicContact CG-CG2 3.88Å; P69-V253 WeakPolarHBondContact O-CG1 3.23Å; I205-V253 HydrophobicContact CD1-CG2 4Å; I205-V253 HydrophobicContact CG2-CG2 4.39Å; L207-V253 HydrophobicContact CD1-CB 4.46Å; L207-V253 HydrophobicContact CD1-CG1 3.61Å; L207-V253 HydrophobicContact CD1-CG2 4.04Å; V249-V253 HydrophobicContact CG1-CG2 3.92Å; G251-V253 PolarHBondContact O-N 2.95Å; V253-S255 PolarHBondContact O-N 3.11Å
254A60.8Low61.1Low13 Ų1364 Ų6411%0.10738%0.383CS..PPolyproline II helixtrans-57.4126.5175.800000110.6A256A254-A256 PolarHBondContact O-N 3.43Å
255S60.6Low59.4Low28 Ų2869.3 Ų69.320%0.19641%0.41CS..PPolyproline II helixtrans-52.5128.8-171.3-173.20000113V253 Y257 T259 P262V253-S255 PolarHBondContact O-N 3.11Å; S255-Y257 PolarHBondContact O-N 3.41Å; S255-Y257 PolarHBondContact OG-N 2.67Å; S255-Y257 PolarHBondContact OG-O 2.68Å; S255-Y257 VanDerWaalsContact OG-O 3.13Å; S255-T259 PolarHBondContact OG-OG1 3.2Å; S255-P262 PolarHBondContact N-O 2.84Å
256A59.8Low57.3Low8 Ų874.1 Ų74.17%0.06643%0.429CS..SBendtrans-76.211.2169.600000112.7T71 K166 C211 A254T71-A256 HydrophobicContact CG2-CB 3.64Å; K166-A256 WeakPolarHBondContact CE-O 3.47Å; K166-A256 PolarHBondContact NZ-O 3.48Å; C211-A256 HydrophobicContact CB-CB 4.38Å; A254-A256 PolarHBondContact O-N 3.43Å
257Y61.4Low55.2Low73 Ų7378.9 Ų78.929%0.28646%0.462SS..SBendtrans-127.3150.5177.7-61.3-71.9000110.7T71 E73 K166 S255 T259T71-Y257 HydrophobicContact CG2-CE2 4.09Å; E73-Y257 PolarHBondContact OE2-OH 3.07Å; K166-Y257 PolarHBondContact NZ-OH 3.24Å; S255-Y257 PolarHBondContact O-N 3.41Å; S255-Y257 PolarHBondContact OG-N 2.67Å; S255-Y257 PolarHBondContact OG-O 2.68Å; S255-Y257 VanDerWaalsContact OG-O 3.13Å; Y257-T259 PolarHBondContact O-N 2.94Å
258P51.2Low53.2Low57 Ų5779 Ų7937%0.3746%0.463SS..  trans-72.972.517428.9-33.5000112.7L157L157-P258 HydrophobicContact CD1-CG 3.8Å; L157-P258 HydrophobicContact CD2-CG 4.3Å; L157-P258 HydrophobicContact CG-CG 3.82Å
259T50.7Low51.4Low60 Ų6076.2 Ų76.237%0.36846%0.458SS..  trans-89.3139.9163.5490000109.9S255 Y257 S261 A264S255-T259 PolarHBondContact OG-OG1 3.2Å; Y257-T259 PolarHBondContact O-N 2.94Å; T259-S261 PolarHBondContact O-N 3.35Å; T259-S261 PolarHBondContact OG1-O 2.97Å; T259-A264 HydrophobicContact CG2-CB 3.89Å
260G44.7Very low49.3Very low99 Ų9984.7 Ų84.7100%1.02149%0.485SS*.SBendtrans-66.71.7-177.600000115.7
261S46.7Very low47.8Very low60 Ų6082.6 Ų82.642%0.4248%0.482SS..SBendtrans-131.5142.1167.259.50000109.2T259 F263T259-S261 PolarHBondContact O-N 3.35Å; T259-S261 PolarHBondContact OG1-O 2.97Å; S261-F263 PolarHBondContact O-N 2.74Å
262P49.4Very low46.3Very low63 Ų6387.2 Ų87.241%0.40949%0.494SS..THydrogen-bonded Turntrans-69.6-12.6-175.225.9-33.5000114.1S255S255-P262 PolarHBondContact N-O 2.84Å
263F48.9Very low45.1Very low97 Ų9790.2 Ų90.243%0.42551%0.512SS..THydrogen-bonded Turntrans-123.230.3-171.9-56.6-61.7000113.5P252 S261 I265P252-F263 HydrophobicContact CB-CD1 3.97Å; P252-F263 HydrophobicContact CB-CE1 4.3Å; S261-F263 PolarHBondContact O-N 2.74Å; F263-I265 PolarHBondContact O-N 2.74Å
264A38.8Very low43.9Very low40 Ų4094.5 Ų94.533%0.33154%0.543SS..  trans-7085.9179.300000112.1T259 M266T259-A264 HydrophobicContact CG2-CB 3.89Å; A264-M266 PolarHBondContact O-N 3.16Å
265I44Very low42.8Very low142 Ų142103 Ų10373%0.72858%0.58SS**  trans-68.7119.4171.1-59.6171.8000108.7F263 P267F263-I265 PolarHBondContact O-N 2.74Å; I265-P267 VanDerWaalsContact O-CD 3.29Å; I265-P267 WeakPolarHBondContact O-CD 3.48Å
266M38Very low41.5Very low150 Ų150105.7 Ų105.774%0.73961%0.612SS**  trans-92110.5165.2-81.1-178.257.900110.2A264 S268A264-M266 PolarHBondContact O-N 3.16Å; M266-S268 WeakPolarHBondContact CE-OG 3.29Å; M266-S268 PolarHBondContact O-N 2.8Å
267P37.1Very low40.4Very low121 Ų121111.2 Ų111.279%0.78665%0.65SS**  trans-80.189.8166.832.3-32.3000109.4I265I265-P267 VanDerWaalsContact O-CD 3.29Å; I265-P267 WeakPolarHBondContact O-CD 3.48Å
268S35.4Very low39.2Very low70 Ų70116.4 Ų116.449%0.4968%0.677SS.*  trans-118.539.5-175.4-65.50000113.8M266M266-S268 WeakPolarHBondContact CE-OG 3.29Å; M266-S268 PolarHBondContact O-N 2.8Å
269V34.1Very low38.4Very low114 Ų114121.2 Ų121.269%0.69170%0.699SS**  trans-124.496.3163.6-172.50000109.3F271V269-F271 HydrophobicContact CG1-CD2 3.61Å; V269-F271 HydrophobicContact CG1-CE2 3.92Å
270R29.3Very low37.5Very low227 Ų227129.1 Ų129.186%0.85772%0.722SS**  trans-99.2107.6155.8-75.9-172.9-179.9168.41107.6D272R270-D272 PolarHBondContact O-N 2.66Å
271F31.8Very low37.2Very low183 Ų183132.1 Ų132.180%0.80371%0.714SS**  trans-78.598.1159.9-95.5-83.4000107.6V269 T273V269-F271 HydrophobicContact CG1-CD2 3.61Å; V269-F271 HydrophobicContact CG1-CE2 3.92Å; F271-T273 PolarHBondContact O-N 2.9Å
272D28.7Very low37Very low151 Ų151135 Ų13581%0.80773%0.73SS**  trans-73.676.8167.5-81-51.3000109.7R270 S274R270-D272 PolarHBondContact O-N 2.66Å; D272-S274 PolarHBondContact O-N 2.95Å
273T35.4Very low36.3Very low120 Ų120138 Ų13874%0.73675%0.75SS**  trans-79.6103.8164.6-610000108.2F271 Q275F271-T273 PolarHBondContact O-N 2.9Å; T273-Q275 PolarHBondContact O-N 3.13Å; T273-Q275 VanDerWaalsContact O-N 3.15Å
274S34.4Very low35.5Very low109 Ų109136.8 Ų136.876%0.76277%0.765SS**  trans-66.8107-17756.50000113.1D272D272-S274 PolarHBondContact O-N 2.95Å
275Q38.5Very low35.4Very low191 Ų191147.4 Ų147.489%0.89380%0.797SS**  trans-159.5120.5153.2-113.2162.465.500110.1T273T273-Q275 PolarHBondContact O-N 3.13Å; T273-Q275 VanDerWaalsContact O-N 3.15Å
276G32.8Very low34.8Very low84 Ų84144.5 Ų144.587%0.86680%0.802SS**  trans-88.8142.5-17500000113
277S37.6Very low34.8Very low124 Ų124142 Ų14287%0.86781%0.805SS**  trans-140.8123.5163.539.90000111.2
278H36Very low34.6Very low182 Ų182141.8 Ų141.884%0.84381%0.807SS**  trans-94.2105.5-162.5162-70.2000111.9
279L34.5Very low34.5Very low159 Ų159144.2 Ų144.283%0.83282%0.822SS**  trans-144.9104.3163-77.3178.3000109.6
280R31.7Very low34.5Very low226 Ų226142 Ų14285%0.85382%0.822SS**  89.492.774.7-166.5179.1-147.1-147.36.3112.7
281L38.4Very low34.8Very low162 Ų162138.5 Ų138.585%0.84882%0.82SS**PPolyproline II helixtrans-64.4150.9171.6-71.9157.9000112.3
282P41.5Very low35.1Very low119 Ų119135.4 Ų135.477%0.77381%0.811SS**PPolyproline II helixtrans-80.8139.7174.832.6-34000112.4
283P35.1Very low35.4Very low126 Ų126136.8 Ų136.882%0.81881%0.813SS**PPolyproline II helixtrans-101.3152.6-179.237-34.1000114.9
284G32.8Very low35.3Very low73 Ų73134.2 Ų134.275%0.75381%0.81SS**  trans95.194.2136.500000120.2
285R35.4Very low35.4Very low263 Ų263140.5 Ų140.599%0.99282%0.817SS**  trans176137.7141.5-100.7167.9178.3-150.9-1.2109.4
286G33Very low35.3Very low81 Ų81138 Ų13884%0.83581%0.81SS**  cis159.870.3-7.300000115.3
287A37.3Very low35.6Very low96 Ų96140.4 Ų140.479%0.79380%0.802SS**  trans-162.1124.6165.800000107.8
288S33.8Very low35.5Very low118 Ų118140.7 Ų140.783%0.82579%0.794SS**  68.7117.974.1-162.50000112.2
289C32.9Very low35.5Very low121 Ų121137.9 Ų137.982%0.81879%0.79SS**  cis-15615116.848.40000114.6
290G34.6Very low35.9Very low67 Ų67135.7 Ų135.769%0.69179%0.785SS**  trans68.5158.3170.700000117
291N35.5Very low36.2Very low153 Ų153131.2 Ų131.282%0.81879%0.788SS**  cis-171.8156-7.8-107.410.3000107.7
292I36.5Very low36.2Very low118 Ų118126.3 Ų126.361%0.60578%0.777SS**  cis-163.1151.2-18.3-147.9171.5000108.3
293E35.6Very low36Very low181 Ų181128 Ų12885%0.84679%0.785SS**  trans57.8150.4169.9-68.1153.6-144.600118.5
294G34.1Very low35.8Very low65 Ų65124.7 Ų124.767%0.6777%0.774SS**  cis178.4154.2-8.700000113
295W35.8Very low35.8Very low242 Ų242130.9 Ų130.992%0.91778%0.78SS**  trans78125.6175.7-57.8-25.2000118.2
296D37.3Very low35.6Very low138 Ų138123.3 Ų123.374%0.73877%0.768SS**  cis93.7136.936.4-63.7-16.8000111.4
297D38.3Very low35.5Very low134 Ų134123.7 Ų123.772%0.71776%0.763SS**  cis-166.6179.94-149.6-18.1000113.5
298N36.3Very low35.3Very low130 Ų130126.1 Ų126.170%0.69577%0.768SS**  trans70.2152158.6-74.6-74.4000121.5
299V36.1Very low35.4Very low123 Ų123124.8 Ų124.875%0.74576%0.764SS**  cis-166.9151.4-35.4116.20000111
300P41.5Very low35.5Very low114 Ų114126 Ų12674%0.7476%0.763SS**  trans-126178.9-17743.6-32.5000117.3
301S38.8Very low36Very low131 Ų131127.5 Ų127.592%0.91676%0.76SS**  trans-169.9167.3164.2-81.80000110.8
302G37.5Very low36Very low60 Ų60130 Ų13062%0.61976%0.764SS**  cis167.8160.8-6.200000113
303V37.8Very low36Very low153 Ų153127.3 Ų127.393%0.92777%0.765SS**  trans57.2159.3173.6-570000119.6
304G31.2Very low36.3Very low57 Ų57124.1 Ų124.159%0.58876%0.763SS**  cis158.2131.1-19.600000117.7
305F33.6Very low36.4Very low203 Ų203126.2 Ų126.289%0.8977%0.767SS**  trans74.4159.3155.2-47.5-76.7000121.9
306S31Very low36.4Very low105 Ų105122.3 Ų122.373%0.73476%0.763SS**  cis-174.1132.1-43.7-156.60000115.3
307A31.3Very low36.3Very low89 Ų89124.6 Ų124.674%0.73677%0.767SS**  trans63.8171.6140.700000125.2
308V32.4Very low36.1Very low146 Ų146127.9 Ų127.989%0.88578%0.778SS**  trans90.2138.3170.7-174.90000117.1
309A36.3Very low36Very low91 Ų91126.6 Ų126.675%0.75279%0.785SS**  cis-167.9161.8-32.400000111.9
310N33.8Very low36Very low147 Ų147125 Ų12579%0.78679%0.785SS**  trans-83.5-179.6174.3-89.7-0.7000112.5
311P44.5Very low35.8Very low97 Ų97126.7 Ų126.763%0.6379%0.787SS**  cis-154.1-151.63145.1-20.2000118.4
312F36.4Very low35.5Very low206 Ų206128.4 Ų128.490%0.90479%0.785SS**  trans85.3135.2174.9-54.1-73.8000117.5
313G37.2Very low35.5Very low61 Ų61134.5 Ų134.563%0.62980%0.797SS**  cis174162.5-9.200000114.4
314S40.7Very low35.3Very low115 Ų115132.9 Ų132.980%0.80479%0.787SS**  trans51.9118.4165.249.90000119.8
315S35.7Very low35.3Very low108 Ų108138.6 Ų138.676%0.75580%0.799SS**  cis96.495.642.373.20000115.3
316L37.7Very low35.2Very low161 Ų161133.7 Ų133.784%0.84380%0.796SS**  trans-168170157.3-106.3159.7000109
317F34.6Very low35.3Very low185 Ų185132.4 Ų132.481%0.81179%0.792SS**  trans61.766.5179.4-66.4-82.6000117.7
318H34.3Very low35.3Very low203 Ų203132.5 Ų132.594%0.9479%0.793SS**  trans-133.547.1158.6-128.2-78.5000112.2
319A34.3Very low35.3Very low103 Ų103133.8 Ų133.885%0.85179%0.794SS**SBendtrans-147.628.2-171.800000114.7
320A35.6Very low35.1Very low89 Ų89133.5 Ų133.574%0.73679%0.791SS**SBendtrans-150.738.8-172.300000115.6
321L36.3Very low35Very low150 Ų150130.5 Ų130.579%0.78579%0.787SS**  trans-146.622.7175.4-122.7165.6000115.4Q323L321-Q323 PolarHBondContact O-N 3.32Å
322L34.1Very low34.5Very low167 Ų167132.8 Ų132.887%0.87479%0.794SS**SBendtrans-9741.5177.3-157.493.2000112.6
323Q36.3Very low34.3Very low188 Ų188129.7 Ų129.788%0.87979%0.786SS**SBendtrans-148.32.3-174.1-128167-2.600116.8L321L321-Q323 PolarHBondContact O-N 3.32Å
324V35.1Very low34.1Very low119 Ų119134.3 Ų134.372%0.72180%0.796SS**SBendtrans-124.542.8177.3-160.70000111.4
325Q30.2Very low33.6Very low177 Ų177134.5 Ų134.583%0.82779%0.792SS**SBendtrans-1189.8179.4-128.9168.8-8.600113.6
326A32.1Very low33.4Very low100 Ų100135.1 Ų135.183%0.82679%0.792SS**SBendtrans-114.4-2.7-178.600000114.8
327A32.4Very low32.9Very low79 Ų79131.1 Ų131.165%0.65379%0.79SS**SBendtrans-105.8-11.7-173.100000115L329A327-L329 PolarHBondContact O-N 3.39Å
328A32.3Very low32.8Very low91 Ų91132.3 Ų132.375%0.75279%0.79SS**THydrogen-bonded Turntrans-83.5-6-171.500000115.1
329L31.4Very low32.8Very low173 Ų173132.9 Ų132.991%0.90679%0.785SS**THydrogen-bonded Turntrans-90.1-6.9-174.3-151.171.2000114.1A327A327-L329 PolarHBondContact O-N 3.39Å
330A32.1Very low32.7Very low85 Ų85133.5 Ų133.570%0.70278%0.781SS**SBendtrans-99-9.1-176.200000114.7
331A32.3Very low32.7Very low84 Ų84135.4 Ų135.469%0.69478%0.784SS**SBendtrans-93.1-5.2-167.300000115.6
332N33.6Very low32.5Very low145 Ų145136.2 Ų136.278%0.77579%0.788SS**SBendtrans-111.621.9-169.7-144.50.4000114.3
333L31.7Very low32.4Very low140 Ų140134.1 Ų134.173%0.73378%0.784SS**SBendtrans-101.5-7.4174.6-78.2166000113.6T335L333-T335 PolarHBondContact O-N 2.72Å
334N33Very low32Very low159 Ų159130.4 Ų130.485%0.8578%0.779SS**THydrogen-bonded Turntrans-101.440.9-173.5-77.2-4.9000114.2
335T30.8Very low31.9Very low118 Ų118131.6 Ų131.672%0.72479%0.786SS**THydrogen-bonded Turntrans-13720.9176.2-26.10000114.4L333L333-T335 PolarHBondContact O-N 2.72Å
336T31.2Very low31.6Very low122 Ų122129.8 Ų129.875%0.74878%0.782SS**  trans-10964.3173.852.80000111.6Y338T336-Y338 PolarHBondContact O-N 3.33Å
337G27.9Very low31.4Very low77 Ų77133.9 Ų133.979%0.79479%0.786SS**  trans-73.581.3179.800000113.6
338Y33Very low31.3Very low210 Ų210134.3 Ų134.382%0.82479%0.79SS**  trans-92.4112.5166.2-101.9-88.6000110.3T336T336-Y338 PolarHBondContact O-N 3.33Å
339Y33.5Very low31.1Very low214 Ų214135.1 Ų135.184%0.83979%0.788SS**  trans-80.3127.9166.6-86.6-91000110.2
340P32Very low31Very low117 Ų117133.2 Ų133.276%0.7678%0.783SS**  trans-85.8129.4164.532.9-30000110.3
341T35.7Very low30.9Very low129 Ų129137.1 Ų137.179%0.79179%0.792SS**  trans-129.991.9166.656.90000109.9
342L33Very low30.6Very low166 Ų166141.3 Ų141.387%0.86980%0.8SS**  trans-112.4130.8163.4-72.9173.6000108.1
343P31.8Very low30.3Very low124 Ų124139.6 Ų139.681%0.80580%0.799SS**  trans-74.6146.416732.2-32.8000110.3
344S26.2Very low30.3Very low109 Ų109139.1 Ų139.176%0.76280%0.802SS**  trans-67.3145.6-172.5-45.10000114.4
345V33.5Very low30.1Very low144 Ų144138.5 Ų138.587%0.87380%0.798SS**  trans-136.3124.3145.4-177.10000106.8
346D25.1Very low30Very low140 Ų140142.7 Ų142.775%0.74981%0.807SS**  trans-72.9144.9-176.5-61.5-86.9000113.5
347M28.2Very low30Very low185 Ų185142 Ų14291%0.91180%0.802SS**  -166.4150.8124.9-101.9-61.9163.900110.8
348A28.8Very low30.3Very low89 Ų89147.2 Ų147.274%0.73681%0.806SS**  trans-72.9149-157.500000116.2
349P27.8Very low30.2Very low107 Ų107140.2 Ų140.270%0.69580%0.798SS**  trans-80.6178.6159.337.1-35.3000111.5
350T29.5Very low30.3Very low133 Ų133138.6 Ų138.682%0.81680%0.803SS**  trans70.2104.4171.666.50000117.6
351N30.7Very low30.4Very low167 Ų167138.1 Ų138.189%0.89380%0.802SS**  -147.5122.1119.4-138.3-33.3000109.6
352M26.4Very low30.4Very low173 Ų173138.5 Ų138.585%0.85280%0.804SS**  trans-96.5141.8174.4-78.2-169.6-69.500109.4
353S27.1Very low30.3Very low109 Ų109137.3 Ų137.376%0.76280%0.799SS**  trans-170158146-910000112.7
354T32.3Very low30.4Very low130 Ų130139.4 Ų139.480%0.79880%0.802SS**  trans71.5130.5171.871.70000117.1
355L28.3Very low30.6Very low145 Ų145137.7 Ų137.776%0.75980%0.801SS**  cis-158.6130.8-22.1-129.7164.1000108.3
356F27.3Very low30.2Very low207 Ų207141.2 Ų141.291%0.90880%0.8SS**  trans-120.1132.4166.5-133-80.9000109
357T33.3Very low30.4Very low107 Ų107140.7 Ų140.766%0.65680%0.802SS**  trans-92119.8-162.5-54.70000111.7
358H33.7Very low30.7Very low186 Ų186136.4 Ų136.486%0.86179%0.79SS**  trans37.3132.4153-59.1-126.1000119.1
359G30.9Very low31Very low64 Ų64137.9 Ų137.966%0.6679%0.792SS**  cis152.3-178.37.900000110.6
360L34.7Very low31Very low179 Ų179141.3 Ų141.394%0.93780%0.799SS**  trans69.9109.4-179.4-48178000114.6
361S33.7Very low30.9Very low107 Ų107142.7 Ų142.775%0.74880%0.801SS**  cis98.4115.317.5-165.60000116
362T37.4Very low30.7Very low137 Ų137139.5 Ų139.584%0.8480%0.798SS**  trans177.6147.6142.128.70000108.6
363N30.4Very low30.7Very low142 Ų142137.4 Ų137.476%0.75980%0.795SS**  cis-160.5175.1-34.1-156-18.9000107.4
364I34.1Very low30.6Very low168 Ų168138 Ų13886%0.86279%0.794SS**  trans72.5128.3-175.4-45.8168.4000112.4
365G30.6Very low30.3Very low73 Ų73139.3 Ų139.375%0.75380%0.795SS**  cis-162.2148.9-4.600000110.8
366Y25Very low30.5Very low218 Ų218140.6 Ų140.686%0.85580%0.797SS**  trans-95.7162.5-170.2-156.1-102.9000112.1
367V29Very low30.8Very low129 Ų129136.3 Ų136.378%0.78279%0.79SS**  trans159.7120.3139.6156.60000110.5
368S33.5Very low30.4Very low94 Ų94135.8 Ų135.866%0.65780%0.797SS**  trans-97.7163.4156.9-53.80000109.3
369P36.2Very low30.3Very low120 Ų120134.4 Ų134.478%0.77980%0.795SS**  trans-130.9150.814136.9-27.5000113.7
370E28Very low30.5Very low179 Ų179137.5 Ų137.584%0.83680%0.803SS**  trans-106176.1162.7-60178.3169.600107.9
371D25.8Very low30.2Very low163 Ų163136.4 Ų136.487%0.87279%0.793SS**  trans50.8105.3170.2-69.2-26.2000120.5
372A28.1Very low29.8Very low99 Ų99141.2 Ų141.282%0.81880%0.797SS**  trans-159.287.8152.300000114.4
373T26.3Very low29.4Very low129 Ų129137.6 Ų137.679%0.79179%0.786SS**  trans-6.1133.114954.20000121.8
374V24.7Very low29.4Very low123 Ų123139.2 Ų139.275%0.74579%0.789SS**  74.8110.1122.61790000121.2
375L25.3Very low29.1Very low157 Ų157134.2 Ų134.282%0.82278%0.78SS**  trans80.9163.4144.1-71.3172.1000123.4
376Q33.4Very low29.1Very low172 Ų172139.2 Ų139.280%0.80478%0.781SS**  trans-75.7-179-173-55.5174.6-21.700112.3
377P32.9Very low29.1Very low117 Ų117134.2 Ų134.276%0.7678%0.777SS**  cis-146.9-165.814.244.6-23.4000117.7
378A25.6Very low29.2Very low96 Ų96133.9 Ų133.979%0.79378%0.78SS**  trans86.1147.1147.700000121.5
379L31.8Very low29Very low156 Ų156134 Ų13482%0.81779%0.786SS**  trans-70.4163.8169-75.6158.6000111.3
380P34.2Very low28.9Very low129 Ų129134.6 Ų134.684%0.83879%0.788SS**  -123.8164.2106.536.2-34.2000114.8
381E27.3Very low29.5Very low156 Ų156131 Ų13173%0.72978%0.78SS**  trans-106-179.1-176.7-164.6-173.7158.300110.4
382Y26.4Very low29.9Very low209 Ų209129.7 Ų129.782%0.8278%0.778SS**  trans70.4142.5179.1-72.6-114.4000116.2
383G28.1Very low30.1Very low60 Ų60128.2 Ų128.262%0.61977%0.773SS**  cis159.1164-7.100000113
384Q30.4Very low30.7Very low176 Ų176128.8 Ų128.882%0.82277%0.771SS**  trans69.4140.4178.3-42.3-76.7-7.500115.4
385G29.1Very low31Very low64 Ų64128.7 Ų128.766%0.6677%0.771SS**  cis172.4164.1-10.900000114.7
386F29.6Very low31.2Very low178 Ų178126 Ų12678%0.78177%0.765SS**  trans68.892.2155.3-64.3-81.7000123.6
387C26Very low31.2Very low113 Ų113125.8 Ų125.876%0.76477%0.768SS**  59.7159.7105.3-61.30000124.7
388S30Very low31Very low121 Ų121128.5 Ų128.585%0.84678%0.775SS**  trans82.1145.216878.20000117.6
389A30.2Very low31.5Very low96 Ų96127.4 Ų127.479%0.79377%0.774SS**  cis-161.1173.5-19.200000111.9
390T34Very low31.6Very low133 Ų133126.4 Ų126.482%0.81678%0.78SS**  trans-72.2-177169.142.70000111.9
391P40.2Very low31.7Very low103 Ų103124.1 Ų124.167%0.66978%0.78SS**  cis-151.7-17620.543.8-21.4000120.2
392T34Very low32.1Very low136 Ų136120.8 Ų120.883%0.83479%0.787SS**  trans61.5150.115545.50000120
393G33.7Very low32.5Very low69 Ų69114.5 Ų114.571%0.71179%0.786SS**  cis-155-1550.700000109.1
394N37.4Very low33Very low141 Ų141116.3 Ų116.375%0.75480%0.795SS**  cis-157.5146.3-5.3-1020.8000107.4
395V30.9Very low33.4Very low121 Ų121113.6 Ų113.673%0.73380%0.795SS**  58.2124.578.5-173.80000113.8
396S30Very low33.8Very low99 Ų99114.5 Ų114.569%0.69281%0.805SS**  cis155.3143.7-15-88.20000106.3
397L32.8Very low34.1Very low169 Ų169109.4 Ų109.489%0.88580%0.803SS**  -178.1157.7123.3-126.971000114.2
398L30.5Very low34.8Very low173 Ų173110.5 Ų110.591%0.90681%0.812SS**  trans-90.6160.4167.4-110.168.3000111.4
399G34.3Very low35Very low74 Ų74109.6 Ų109.676%0.76381%0.805SS**  trans-172.6116.716500000113.4
400S34.5Very low35.4Very low134 Ų134112.1 Ų112.194%0.93781%0.806SS**  trans-142.1140.8173.1-69.60000110.2
401G36.1Very low35.6Very low82 Ų82111.4 Ų111.485%0.84580%0.801SS**  trans165.8138.5166.200000117.3
402G35.2Very low35.6Very low86 Ų86110.7 Ų110.789%0.88781%0.812SS**  trans103.1133.1146.200000119
403G36.4Very low35.8Very low76 Ų76108.2 Ų108.278%0.78481%0.814SS**  trans97.8115.7170.100000113.9
404A38.7Very low36.1Very low98 Ų98108.3 Ų108.381%0.8182%0.815SS**  cis70.8136.624.700000114.8
405S38Very low36.4Very low119 Ų119107.8 Ų107.883%0.83282%0.822SS**  cis-170.5151.2-10.745.10000112.6
406G37.1Very low36.8Very low84 Ų84105.5 Ų105.587%0.86682%0.823SS**  trans85.2161.6165.300000116.5
407G37.1Very low37.1Very low71 Ų71103.5 Ų103.573%0.73282%0.818SS**  cis168.5167.2-8.200000115.1
408S39.7Very low37.4Very low136 Ų136105 Ų10595%0.95182%0.82SS**  trans77.3158.2166.1-59.40000119.7
409S35.1Very low37.6Very low101 Ų10199.8 Ų99.871%0.70681%0.808SS**  trans-145164.5-160.355.10000112.3
410N37.3Very low37.7Very low150 Ų150101.5 Ų101.580%0.80281%0.808SS**  trans-178.3158.5152.9-92.5-18.7000108.6
411T39.4Very low37.8Very low118 Ų118100.6 Ų100.672%0.72480%0.797SS**  cis165.6142.1-4237.20000107.3
412G38.7Very low37.6Very low87 Ų87103.7 Ų103.790%0.89779%0.793SS**  trans84.4143.6-176.900000113.1
413G38.4Very low37.5Very low85 Ų85107.8 Ų107.888%0.87679%0.794SS**  cis151.6147.8-2.300000109.4
414G39.8Very low37.3Very low71 Ų71111.6 Ų111.673%0.73279%0.791SS**  cis176.6167-4.700000109.6
415S44.4Very low36.8Very low130 Ų130113.7 Ų113.791%0.90978%0.784SS**  trans64.4137.5-176.1-164.10000115.2
416G39.4Very low36.5Very low73 Ų73113.2 Ų113.275%0.75378%0.78SS**  cis134128.64.800000109.6
417G36.1Very low36.4Very low57 Ų57116 Ų11659%0.58877%0.774SS**  cis-179.3-175.9-4.200000111.6
418H39.1Very low36.2Very low201 Ų201123.6 Ų123.693%0.93178%0.781SS**  trans58119.9164-38.3-74.7000118.1
419G34.8Very low36Very low63 Ų63122.5 Ų122.565%0.64977%0.77SS**  cis-153.8146.6-3.200000110.9
420S36.1Very low35.8Very low109 Ų109125.7 Ų125.776%0.76278%0.778SS**  81.775.5101.4-62.80000113
421T37.2Very low35.6Very low116 Ų116121.9 Ų121.971%0.71277%0.774SS**  88.5107.581.3530000112.4
422I32.1Very low35.3Very low146 Ų146125.7 Ų125.775%0.74978%0.783SS**  74.8123.280.4-71166.5000109.5
423L33.8Very low35.1Very low172 Ų172127.1 Ų127.190%0.90178%0.78SS**  -12513657.8-69.6156.2000116
424H31.6Very low34.9Very low156 Ų156131.8 Ų131.872%0.72278%0.779SS**  trans-129.9166156.2-169.3-99.2000107.8
425E28.5Very low34.4Very low143 Ų143135.2 Ų135.267%0.66878%0.779SS**  trans-21.8133.2-175.3-63.9176.4133.400118.9
426S31Very low33.8Very low108 Ų108138.4 Ų138.476%0.75578%0.779SS**  trans-112.1104.7149.346.50000109.8
427I35.4Very low33.4Very low142 Ų142140 Ų14073%0.72878%0.775SS**PPolyproline II helixtrans-66.2135.3178.3-67.6161.2000110.1
428W32.4Very low33.5Very low232 Ų232143.5 Ų143.588%0.87979%0.787SS**PPolyproline II helixtrans-92.2136.6165.4-75.486.4000110.3
429P35.1Very low33.3Very low113 Ų113140.2 Ų140.273%0.73478%0.781SS**PPolyproline II helixtrans-75.2148.1-17630.8-35.4000112.5
430I30.6Very low33Very low168 Ų168142.5 Ų142.586%0.86279%0.786SS**PPolyproline II helixtrans-74.9132.7172.4-62169.1000109.1
431G34.8Very low32.7Very low70 Ų70147.3 Ų147.372%0.72279%0.793SS**  trans-124.3122.8169.800000110.6
432E32.5Very low32.4Very low197 Ų197148.2 Ų148.292%0.92179%0.794SS**  trans-84.1133.3178.4-60.8-179.811600111.4
433S35.1Very low32.6Very low118 Ų118145.9 Ų145.983%0.82580%0.796SS**  trans-147.599.7167.256.70000113.1
434Q32.6Very low32.7Very low183 Ų183141.3 Ų141.386%0.85578%0.784SS**  trans21.6136.7164.6-64.5-163-1.900122.9
435I30.8Very low32.8Very low143 Ų143145.1 Ų145.173%0.73379%0.793SS**  trans-85140.4170.9-61.5160.9000111T437I435-T437 HydrophobicContact CG2-CG2 3.98Å
436Q30.9Very low33.2Very low197 Ų197144.1 Ų144.192%0.92180%0.799SS**  trans-133.4116146-79.2-164.9-12.700110.9
437T30.1Very low33.5Very low107 Ų107142.2 Ų142.266%0.65680%0.796SS**  trans-120.7131.5172.249.20000109.6I435I435-T437 HydrophobicContact CG2-CG2 3.98Å
438P39.3Very low33.8Very low129 Ų129141.7 Ų141.784%0.83880%0.802SS**PPolyproline II helixtrans-67.5144.7163.230.4-32.9000109.9
439T34.7Very low33.8Very low133 Ų133138.1 Ų138.182%0.81680%0.799SS**PPolyproline II helixtrans-82160.9-169.648.60000113.9
440C28.3Very low33.8Very low110 Ų110140.2 Ų140.274%0.74381%0.805SS**PPolyproline II helixtrans-63.3161.7172.257.20000113.3
441F30.1Very low33.7Very low210 Ų210140.3 Ų140.392%0.92180%0.799SS**  trans-128.1120.2146.4-136.3-87.5000107.6
442D31.6Very low33.7Very low136 Ų136140.9 Ų140.973%0.72780%0.797SS**  trans-99.8145.5-178.5-168.83.9000109.8
443A36.3Very low33.9Very low96 Ų96138.5 Ų138.579%0.79379%0.789SS**  trans-143.481.7-175.600000109.4
444A35.7Very low33.8Very low77 Ų77142.9 Ų142.964%0.63679%0.789SS**  trans-68.8141.7-170.500000114.2
445Y31.9Very low34.3Very low235 Ų235139.6 Ų139.692%0.92278%0.784SS**  trans-149.9114.7146.4-105.9-72.4000110.6
446P38.5Very low34.5Very low123 Ų123138.7 Ų138.780%0.79979%0.785SS**  trans-91.5146.3173.334.8-32.1000111.9
447G37.3Very low34.6Very low67 Ų67136.3 Ų136.369%0.69178%0.778SS**  trans-155122.1169.600000110.2
448P42.3Very low35Very low131 Ų131140.9 Ų140.985%0.85179%0.792SS**  trans-74.4150.6-174.929.7-34.6000112.6
449L31.7Very low34.6Very low157 Ų157140.1 Ų140.182%0.82279%0.79SS**  trans-57.9136.7174.4-65.2167.9000111.1
450N34.1Very low34.7Very low158 Ų158142.5 Ų142.585%0.84580%0.797SS**  trans-126.9117.7170.6-151.5-7.4000109.5A452N450-A452 PolarHBondContact O-N 2.62Å
451F29.9Very low35Very low169 Ų169144.4 Ų144.474%0.74180%0.799SS**  trans-81.599.9-171.9-78.5-95.1000111.2I453F451-I453 VanDerWaalsContact C-N 3.32Å; F451-I453 PolarHBondContact O-N 3.21Å
452A33.5Very low35.2Very low82 Ų82139.2 Ų139.268%0.67879%0.785SS**  trans-74.480.4173.200000111.7N450 Y454N450-A452 PolarHBondContact O-N 2.62Å; A452-Y454 HydrophobicContact CB-CE2 4.37Å; A452-Y454 PolarHBondContact O-N 2.78Å
453I37.1Very low35.4Very low147 Ų147137.2 Ų137.275%0.75479%0.786SS**  trans-71.2114.1168-59.1174.2000108.2F451 P455F451-I453 VanDerWaalsContact C-N 3.32Å; F451-I453 PolarHBondContact O-N 3.21Å; I453-P455 WeakPolarHBondContact O-CD 3.46Å
454Y32.4Very low35.1Very low211 Ų211140.8 Ų140.883%0.82779%0.789SS**  trans-93.5110.6170.1-86.8-86.1000110.4A452A452-Y454 HydrophobicContact CB-CE2 4.37Å; A452-Y454 PolarHBondContact O-N 2.78Å
455P43.1Very low35.1Very low114 Ų114141.9 Ų141.974%0.7480%0.798SS**  trans-77.7143.8173.132.2-34.2000111.3I453I453-P455 WeakPolarHBondContact O-CD 3.46Å
456T36.2Very low35.2Very low123 Ų123135.3 Ų135.376%0.75579%0.787SS**  trans-84.7136.3-179.4-4.60000112.5
457N32.7Very low35.1Very low148 Ų148141.2 Ų141.279%0.79179%0.793SS**  trans41.5102.1152.3-56.9-14.7000118.6
458Q37.7Very low35.2Very low203 Ų203146.5 Ų146.595%0.94980%0.799SS**  trans-132.8136.2143.4-73.2-1627.300111.4
459S32.6Very low35Very low113 Ų113144.5 Ų144.579%0.7979%0.786SS**  trans-117.4129.5172.756.10000109
460L36.5Very low34.9Very low183 Ų183142.1 Ų142.196%0.95878%0.783SS**  trans-152.7172.2157.3-115.8171.4000111.1
461L34.9Very low34.9Very low149 Ų149144.1 Ų144.178%0.7879%0.787SS**  trans-119.4167.3-153.6-155.173.6000112
462T33.3Very low34.9Very low102 Ų102141.1 Ų141.163%0.62679%0.787SS**  trans79.3104152.7-50.30000119.3M464T462-M464 HydrophobicContact CG2-CE 3.81Å; T462-M464 HydrophobicContact CG2-CG 4.36Å
463A35.7Very low34.9Very low93 Ų93147.3 Ų147.377%0.76979%0.794SS**  -169.6104122.900000108.1
464M31.1Very low34.8Very low171 Ų171148 Ų14884%0.84279%0.794SS**  86.3128.976.6-78.1-173-168.400114.7T462T462-M464 HydrophobicContact CG2-CE 3.81Å; T462-M464 HydrophobicContact CG2-CG 4.36Å
465A35.4Very low34.9Very low101 Ų101141.8 Ų141.884%0.83578%0.782SS**  trans67148.817300000118.4
466S34.1Very low34.5Very low97 Ų97145 Ų14568%0.67879%0.787SS**  cis-167.3162.7-27.660.50000111.4
467R35.4Very low34.5Very low247 Ų247143.9 Ų143.993%0.93278%0.781SS**  trans82.8160.7165.6-55.7-178.9-177.9-135-2.1118.5
468H38.9Very low34.6Very low178 Ų178143.7 Ų143.782%0.82478%0.78SS**  trans-173159.6-156.9178.3-100.4000106.4
469P38.3Very low34.3Very low89 Ų89140.3 Ų140.358%0.57877%0.767SS**  cis-124.5-161.9-30.339.8-22.6000112.4
470S30.1Very low34.3Very low106 Ų106144.4 Ų144.474%0.74177%0.771SS**  trans59.8117.6147.965.70000122.2
471E33.9Very low34.2Very low201 Ų201139.8 Ų139.894%0.93976%0.76SS**  trans-158160.7141.1-121.8170.3-159.700110.5
472S31Very low34.4Very low105 Ų105138.9 Ų138.973%0.73476%0.762SS**  trans-160.4121.1-162.558.40000116.7
473Y33.1Very low34.6Very low212 Ų212139.3 Ų139.383%0.83177%0.77SS**  trans-157.3150.6173.3-90.1-96000109.8
474Q35Very low34.4Very low161 Ų161140 Ų14075%0.75277%0.769SS**  cis-160.8165.9-25.7-138.8-176-500112.2
475S33.3Very low34.8Very low81 Ų81137.8 Ų137.857%0.56677%0.767SS**  trans-33.3153.3174530000122.4
476H34.7Very low34.5Very low183 Ų183143.2 Ų143.285%0.84777%0.768SS**  -158.1139.6119.6-119.5-78.8000113.5
477P36.2Very low34.4Very low98 Ų98145.1 Ų145.164%0.63677%0.768SS**  trans-118.6162.2172.640.6-31.3000114.2
478D35.4Very low34.2Very low144 Ų144139.4 Ų139.477%0.7776%0.76SS**  trans-174.5116.6149.6-91.4-36.2000107.8
479I31.9Very low33.9Very low132 Ų132134.1 Ų134.168%0.67775%0.754SS**  6092.176.9-48.5171.2000114.7
480F32.8Very low33.7Very low199 Ų199137.7 Ų137.787%0.87377%0.766SS**  176.5152.1116.1-108.8-75.9000111.7
481A33.2Very low33.8Very low87 Ų87137.3 Ų137.372%0.71976%0.763SS**  trans-110.2154.116900000110.7
482P39.2Very low33.8Very low129 Ų129136.3 Ų136.384%0.83876%0.759SS**  trans-125.4154.8149.336.4-26.6000113.3
483S36.9Very low34Very low112 Ų112136.2 Ų136.278%0.78376%0.756SS**  trans-78.3164.8176.252.20000113.2
484S32.5Very low33.9Very low106 Ų106131 Ų13174%0.74175%0.75SS**  trans-63.416416565.70000111.7
485P40.2Very low33.7Very low126 Ų126132 Ų13282%0.81875%0.752SS**  -144.4-168.390.240.9-24.7000115.9
486Y28.7Very low33.4Very low214 Ų214132.9 Ų132.984%0.83975%0.754SS**  trans-74.9173.9-165.6-129.5-137.8000117.2
487M31Very low33.3Very low138 Ų138131.1 Ų131.168%0.6875%0.749SS**  trans87.2121152.8-67.1-99.389.600122.1
488T32.2Very low33.4Very low127 Ų127131.8 Ų131.878%0.77975%0.754SS**  trans56.9135.5141.457.70000120.5
489G31.2Very low33Very low66 Ų66135.3 Ų135.368%0.6876%0.758SS**  cis168.9-145.5300000111.3
490I34.8Very low32.8Very low165 Ų165133.7 Ų133.785%0.84676%0.758SS**  trans80.892.9163.9-51.8175.2000117.4
491S33.3Very low32.8Very low97 Ų97130.2 Ų130.268%0.67875%0.754SS**  trans35.8123.8139.1640000123.9
492Q32.1Very low32.8Very low181 Ų181131.5 Ų131.585%0.84676%0.757SS**  39.8162.2110.7-74.8-169.3-1.300122.2
493P37Very low32.8Very low103 Ų103130.8 Ų130.867%0.66975%0.752SS**  cis-138.5-163.3-23.833.1-10.3000114
494S30.3Very low32.6Very low101 Ų101130.7 Ų130.771%0.70675%0.752SS**  trans98.8132.5144-66.80000123.8
495F30.5Very low32.5Very low184 Ų184133.1 Ų133.181%0.80776%0.756SS**  trans83.497.8138.9-91.2-117.2000124.6
496T27.3Very low32.3Very low98 Ų98135.6 Ų135.660%0.60176%0.759SS**  59.8112.196.4-54.90000122.9
497I31.7Very low32.6Very low146 Ų146129.2 Ų129.275%0.74976%0.757SS**  trans70.7161.9144.2-74.3175.6000116.1
498P38.6Very low32.9Very low112 Ų112126 Ų12673%0.72776%0.759SS**  cis-130.2178.710.521.84.7000119.5
499Y27.4Very low33.3Very low218 Ų218128.4 Ų128.486%0.85577%0.768SS**  trans-40.2161.3153-59.4-103.2000117.2
500S28.9Very low33.7Very low98 Ų98128.9 Ų128.969%0.68577%0.772SS**  146.7145.6110.1-168.60000117
501T32.7Very low34Very low127 Ų127124.9 Ų124.978%0.77977%0.772SS**  trans61.9121.8149.235.40000123.2
502S32.2Very low34.2Very low113 Ų113127.1 Ų127.179%0.7978%0.776SS**  trans-62161.8150.3-32.60000111.9
503P39.9Very low34.5Very low114 Ų114126 Ų12674%0.7478%0.776SS**  -156.8161.795.541-22.6000118.7
504S31.4Very low34.6Very low110 Ų110127.6 Ų127.677%0.76978%0.783SS**  trans48.8115.3134.7-58.70000125.3
505L30.9Very low34.9Very low158 Ų158125.9 Ų125.983%0.82778%0.781SS**  79.3153.9120.2-137.576.3000122.3
506M36Very low35.3Very low178 Ų178123.8 Ų123.888%0.87778%0.783SS**  trans69.2142.3175.9-68.8128.960.100117.3
507G34.2Very low35.8Very low79 Ų79124.7 Ų124.781%0.81479%0.791SS**  cis160.9143.4-10.400000114.2
508G38.8Very low36Very low70 Ų70126.3 Ų126.372%0.72280%0.795SS**  trans107.2122.6178.100000113.5
509N40.3Very low35.9Very low179 Ų179128 Ų12896%0.95780%0.797SS**  74.512672-79.4-1.3000114.2
510G39.7Very low36.1Very low75 Ų75124.6 Ų124.677%0.77379%0.793SS**  cis162.8155.4-9.900000114.8
511G40.2Very low37.1Very low81 Ų81126 Ų12684%0.83580%0.8SS**  trans78.8169.4168.700000117.1
512N37.2Very low37.3Very low144 Ų144123.9 Ų123.977%0.7780%0.803SS**  cis-165.1-175.1-23.7-151.2-9.6000110
513L39.6Very low37.9Very low159 Ų159122 Ų12283%0.83280%0.802SS**  trans80.5120.1178.6-50.2171000114.4
514V38.7Very low38.2Very low135 Ų135122.5 Ų122.582%0.81881%0.805SS**  cis94.5118.111.9-170.40000116.9
515G37.1Very low38.5Very low66 Ų66125.5 Ų125.568%0.6881%0.807SS**  trans116.6148.6160.600000115.6
516V38.2Very low38.7Very low140 Ų140125 Ų12585%0.84881%0.805SS**  cis-154143.2-13.8-179.70000107.7
517P38.8Very low38.6Very low117 Ų117120.8 Ų120.876%0.7680%0.798SS**  trans-103.2-175.2176.240.2-35.6000114.6
518Q34.8Very low38.6Very low180 Ų180122.3 Ų122.384%0.84179%0.791SS**  trans114.3148.9153.7-158-175-37.700118
519I37Very low38.3Very low147 Ų147126.9 Ų126.975%0.75480%0.799SS**  trans115.9109.6154.9-57.1179.5000117.3
520D31.4Very low37.8Very low147 Ų147128.8 Ų128.879%0.78679%0.794SS**  trans-84.2-162.9168.1-77.6-74.8000112.9
521P49.2Very low37.8Very low126 Ų126130.8 Ų130.882%0.81879%0.793SS**  cis-133.3-177.2-32.423.3-0.3000114.6
522G37.1Very low37.5Very low83 Ų83130 Ų13086%0.85679%0.786SS**  trans108150.3151.100000116.2
523G44.9Very low37.3Very low74 Ų74131.5 Ų131.576%0.76379%0.792SS**  cis-158.8-178.31.100000112.6
524P47.4Very low36.8Very low125 Ų125129.1 Ų129.181%0.81279%0.788SS**  trans-104.7175.4-159.240.4-37.5000115.5
525Q37.6Very low36.7Very low172 Ų172128 Ų12880%0.80478%0.783SS**  -163.5154.5128.8-80.8-128.811.400113
526L34.6Very low36.5Very low148 Ų148129.5 Ų129.578%0.77578%0.784SS**  trans-15156163.1-69.5124.9000118.8
527A34Very low36.1Very low89 Ų89130.4 Ų130.474%0.73678%0.783SS**  cis-169.8176.818.600000109.6
528T33.1Very low35.6Very low111 Ų111129.8 Ų129.868%0.68178%0.78SS**  cis-175.8157.7-23.9-86.50000109
529L33.7Very low35.4Very low166 Ų166128.8 Ų128.887%0.86978%0.78SS**  trans69.5107.9169-81.2164.8000120.7
530Y29.6Very low35.3Very low219 Ų219127.7 Ų127.786%0.85979%0.785SS**  trans-73.3-176.5145.8-99.7-107.9000110.7
531P40.4Very low35.5Very low118 Ų118127.9 Ų127.977%0.76678%0.782SS**  cis-136.5161.1135.7-16.5000117.8
532G32.4Very low34.9Very low65 Ų65128 Ų12867%0.6778%0.782SS**  99.3154.8114.600000122.5
533I34.8Very low34.6Very low175 Ų175131.8 Ų131.890%0.89778%0.775SS**  trans81.7124.1156.9-50.2170.4000117.8
534S27.5Very low34.2Very low108 Ų108133.4 Ų133.476%0.75577%0.773SS**  trans-85.3-171.3174.2-35.10000111.6
535P38.2Very low33.6Very low111 Ų111133.4 Ų133.472%0.72177%0.77SS**  cis-138.2-167-341.3-21.1000115
536S32.4Very low33.4Very low98 Ų98130.3 Ų130.369%0.68577%0.767SS**  trans73.5109.8147.4-61.80000122.6
537L30.1Very low33.4Very low160 Ų160129.5 Ų129.584%0.83877%0.768SS**  79.3141.5129.7-67.6172000123.3
538C27.9Very low33.2Very low104 Ų104130.6 Ų130.670%0.70377%0.771SS**  trans87.3117.6148.8-71.50000123.1
539L29.8Very low33.3Very low158 Ų158130.2 Ų130.283%0.82777%0.772SS**  trans53.6126.3139.8-83.269.2000121.8
540S36.1Very low33.3Very low124 Ų124130.8 Ų130.887%0.86777%0.771SS**  -173160.2108.5-77.90000112.2
541Q34Very low33.5Very low152 Ų152128.3 Ų128.371%0.7177%0.769SS**  trans-100.6177.9178.3-59.4-172.7-34.300112.2
542P38.2Very low33Very low129 Ų129130 Ų13084%0.83877%0.771SS**  -145169.885.837.6-19.9000117.3
543F29.6Very low32.9Very low161 Ų161132.6 Ų132.671%0.70677%0.774SS**  trans-85.9-177.3169.8-88.5-73.5000111.2
544P37.3Very low32.7Very low109 Ų109134 Ų13471%0.70877%0.774SS**  cis-155.5-179.831.939.1-12.9000122.2
545V35.4Very low33.1Very low125 Ų125134.7 Ų134.776%0.75877%0.773SS**  trans65.3127.5153.8-74.30000125.7
546S31.7Very low32.9Very low107 Ų107132.9 Ų132.975%0.74877%0.768SS**  trans70.8139.8139-63.80000120.3
547V35Very low33Very low130 Ų130134.6 Ų134.679%0.78878%0.776SS**  cis-151.4167.4-1.5-107.50000110.5
548S30.6Very low33.2Very low113 Ų113133 Ų13379%0.7977%0.767SS**  trans11.2143155-56.30000121.4
549S34.8Very low33.3Very low102 Ų102140.4 Ų140.471%0.71378%0.78SS**  cis-166.9168.96.941.20000113.2
550E33.5Very low33.8Very low179 Ų179140.5 Ų140.584%0.83678%0.777SS**  trans78.5162.3160.3-119.5157.1114.300120.4
551M33.4Very low34Very low167 Ų167143.2 Ų143.282%0.82378%0.776SS**  trans-76161.9-169.3-6685.8170.400112.4
552D29.7Very low34.5Very low152 Ų152140.7 Ų140.781%0.81377%0.772SS**  cis-156.9177.941.3-147.5-28.7000114.3
553V31.5Very low35.1Very low121 Ų121137 Ų13773%0.73375%0.748SS**  trans-82.2122.8-164-179.90000113.8V555V553-V555 PolarHBondContact O-N 3.15Å
554K29.7Very low37Very low204 Ų204132.9 Ų132.989%0.88774%0.737SS**  trans-81.494.5176.4-168.4171.2-175172.70112.2
555V35.7Very low38.1Very low123 Ų123131.6 Ų131.675%0.74572%0.723SS**  trans-67.4132.9176.1177.30000111.7V553V553-V555 PolarHBondContact O-N 3.15Å
556A33.6Very low39.2Very low73 Ų73131.8 Ų131.860%0.60372%0.72SS**  trans-88.8148170.200000111.1I558A556-I558 PolarHBondContact O-N 3.23Å
557P35.5Very low40.6Very low133 Ų133132 Ų13286%0.86471%0.709SS**  trans-74.3112.1-167.128.7-35.2000113.1
558I35Very low41.6Very low127 Ų127127.1 Ų127.165%0.65168%0.679SS**  trans-83.6119.7170.6-56177.7000109.2A556 Q560A556-I558 PolarHBondContact O-N 3.23Å; I558-Q560 HydrophobicContact CG2-CB 4.23Å; I558-Q560 HydrophobicContact CG2-CG 3.68Å; I558-Q560 PolarHBondContact O-N 3.32Å; I558-Q560 VanDerWaalsContact O-N 3.16Å
559R30.2Very low43.1Very low259 Ų259126.1 Ų126.198%0.97766%0.664SS**  trans-7989.9165-115.8-174.2172.4-170.5-2.6109
560Q39.5Very low44.2Very low160 Ų160124.5 Ų124.575%0.74866%0.663SS**PPolyproline II helixtrans-99.5131.9175.1-103.7164.42.300111I558I558-Q560 HydrophobicContact CG2-CB 4.23Å; I558-Q560 HydrophobicContact CG2-CG 3.68Å; I558-Q560 PolarHBondContact O-N 3.32Å; I558-Q560 VanDerWaalsContact O-N 3.16Å
561Q40Very low45.1Very low182 Ų182120 Ų12085%0.8565%0.651SS**PPolyproline II helixtrans-77.3149.5156.9-72.9178.2-54.800108.8
562P43.7Very low46Very low98 Ų98114.9 Ų114.964%0.63663%0.627SS**PPolyproline II helixtrans-66.4139.6174.428.3-34000110.5
563P52.4Low47.3Very low52 Ų52114.7 Ų114.734%0.33862%0.615SS.*PPolyproline II helixtrans-66.9151.3176.829.3-35.2000111.1
564T69.9Low48.1Very low75 Ų75117.5 Ų117.546%0.4663%0.625SS.*PPolyproline II helixtrans-79.6153.5178.866.10000111.8N566 E567 L568T564-N566 PolarHBondContact O-N 2.98Å; T564-N566 VanDerWaalsContact O-N 3.13Å; T564-E567 WeakPolarHBondContact CB-OE2 3.49Å; T564-E567 PolarHBondContact N-OE2 3.3Å; T564-E567 PolarHBondContact O-N 3.41Å; T564-E567 WeakPolarHBondContact OG1-CG 3.48Å; T564-E567 PolarHBondContact OG1-OE2 2.99Å; T564-L568 PolarHBondContact O-N 3.29Å
565L58.5Low48.7Very low82 Ų82111.4 Ų111.443%0.42962%0.62SS.*Hα-helixtrans-55.5-31.9177.3-177.6145.2000112.6L568 L569L565-L568 PolarHBondContact O-N 3.22Å; L565-L569 HydrophobicContact CD2-CD1 3.82Å; L565-L569 HydrophobicContact CG-CD1 4Å; L565-L569 VanDerWaalsContact O-CD1 3.32Å; L565-L569 WeakPolarHBondContact O-CD1 3.07Å; L565-L569 PolarHBondContact O-N 2.83Å
566N59.5Low49.4Very low128 Ų128108.2 Ų108.268%0.68460%0.602SS**Hα-helixtrans-70.4-27.1176.5-69.6-25.5000113.7T564 G570T564-N566 PolarHBondContact O-N 2.98Å; T564-N566 VanDerWaalsContact O-N 3.13Å; N566-G570 WeakPolarHBondContact O-CA 3.37Å; N566-G570 PolarHBondContact O-N 3.49Å
567E60.7Low49.8Very low113 Ų113111.9 Ų111.953%0.52861%0.605SS.*Hα-helixtrans-77.6-34.6174.9-69.7162.5114.700111.3T564 S571T564-E567 WeakPolarHBondContact CB-OE2 3.49Å; T564-E567 PolarHBondContact N-OE2 3.3Å; T564-E567 PolarHBondContact O-N 3.41Å; T564-E567 WeakPolarHBondContact OG1-CG 3.48Å; T564-E567 PolarHBondContact OG1-OE2 2.99Å; E567-S571 PolarHBondContact O-N 3.07Å; E567-S571 PolarHBondContact O-OG 3.26Å
568L55.4Low50.5Low27 Ų27111.5 Ų111.514%0.14160%0.6CS.*Hα-helixtrans-66.4-49171.6-77164000111.4T564 L565 G570 S571 L592T564-L568 PolarHBondContact O-N 3.29Å; L565-L568 PolarHBondContact O-N 3.22Å; L568-G570 PolarHBondContact O-N 3.11Å; L568-S571 WeakPolarHBondContact O-CB 3.34Å; L568-S571 PolarHBondContact O-N 2.79Å; L568-L592 HydrophobicContact CD1-CD2 3.74Å; L568-L592 HydrophobicContact CD1-CG 4.36Å
569L62.2Low51.5Low92 Ų92113 Ų11348%0.48260%0.604SS.*Hα-helixtrans-67.3-35.2175.9-88.975.3000112.5L565 S571 L572L565-L569 HydrophobicContact CD2-CD1 3.82Å; L565-L569 HydrophobicContact CG-CD1 4Å; L565-L569 VanDerWaalsContact O-CD1 3.32Å; L565-L569 WeakPolarHBondContact O-CD1 3.07Å; L565-L569 PolarHBondContact O-N 2.83Å; L569-S571 PolarHBondContact O-N 3.49Å; L569-S571 VanDerWaalsContact O-N 3.15Å; L569-L572 PolarHBondContact O-N 3.32Å
570G58Low52.8Low67 Ų67104.4 Ų104.469%0.69158%0.577SS**THydrogen-bonded Turntrans-67.5-6.6175.200000114.9N566 L568N566-G570 WeakPolarHBondContact O-CA 3.37Å; N566-G570 PolarHBondContact O-N 3.49Å; L568-G570 PolarHBondContact O-N 3.11Å
571S53.5Low53.7Low84 Ų8499.2 Ų99.259%0.58756%0.557SS**THydrogen-bonded Turntrans-92.3-17177.3-62.30000114E567 L568 L569 R573E567-S571 PolarHBondContact O-N 3.07Å; E567-S571 PolarHBondContact O-OG 3.26Å; L568-S571 WeakPolarHBondContact O-CB 3.34Å; L568-S571 PolarHBondContact O-N 2.79Å; L569-S571 PolarHBondContact O-N 3.49Å; L569-S571 VanDerWaalsContact O-N 3.15Å; S571-R573 PolarHBondContact O-N 3.12Å
572L52.9Low54.9Low60 Ų6094.7 Ų94.731%0.31454%0.541SS..  trans-68.4125.8-178.3-77.9161000112L569 L574 E584 I585L569-L572 PolarHBondContact O-N 3.32Å; L572-L574 PolarHBondContact O-N 2.77Å; L572-E584 HydrophobicContact CD2-CG 4.24Å; L572-I585 HydrophobicContact CD2-CG1 4.4Å
573R56Low56.1Low148 Ų14893.4 Ų93.456%0.55854%0.535SS*.  trans-90.188.6179.3-72.3-172.5178.5170.38.6111.7S571 G575 E584S571-R573 PolarHBondContact O-N 3.12Å; R573-G575 PolarHBondContact O-N 2.99Å; R573-E584 PolarHBondContact N-OE2 3.41Å
574L48.2Very low56.7Low181 Ų18193.7 Ų93.795%0.94853%0.531SS*.THydrogen-bonded Turntrans-65.378.2164.7-65.5171.6000110.9L572L572-L574 PolarHBondContact O-N 2.77Å
575G43.1Very low56.7Low75 Ų7594 Ų9477%0.77353%0.529SS*.THydrogen-bonded Turntrans170.64.7-178.700000116.4R573R573-G575 PolarHBondContact O-N 2.99Å
576C49.1Very low57.4Low57 Ų5794.6 Ų94.639%0.38553%0.533SS..SBendtrans-94.3173.4175.4-65.80000111.9D580C576-D580 HydrophobicContact CB-CB 3.74Å
577K42.6Very low58Low150 Ų15095 Ų9565%0.65253%0.531SS*.  trans-70.3158-179.4-63.3176.8-179.7176.90110.3E579 D580 V581K577-E579 PolarHBondContact O-N 3.29Å; K577-D580 WeakPolarHBondContact CB-OD2 3.32Å; K577-D580 PolarHBondContact N-OD2 2.72Å; K577-D580 WeakPolarHBondContact O-CB 3.45Å; K577-D580 PolarHBondContact O-N 2.91Å; K577-V581 WeakPolarHBondContact O-CG2 3.45Å; K577-V581 PolarHBondContact O-N 2.94Å
578T50.7Low58.3Low124 Ų12490.8 Ų90.876%0.76151%0.513SS*.Hα-helixtrans-52.9-32.5-177.8-27.70000113.2
579E56.6Low59.1Low160 Ų16095 Ų9575%0.74853%0.53SS*.Hα-helixtrans-72.1-41.5178.4-61.9163.2-100.400112.3K577K577-E579 PolarHBondContact O-N 3.29Å
580D55.9Low59.5Low77 Ų7793.6 Ų93.641%0.41253%0.528SS..Hα-helixtrans-64.2-42.6177.5-54.7-48.1000110.8C576 K577 V582 S583 E584C576-D580 HydrophobicContact CB-CB 3.74Å; K577-D580 WeakPolarHBondContact CB-OD2 3.32Å; K577-D580 PolarHBondContact N-OD2 2.72Å; K577-D580 WeakPolarHBondContact O-CB 3.45Å; K577-D580 PolarHBondContact O-N 2.91Å; D580-V582 VanDerWaalsContact C-N 3.3Å; D580-V582 PolarHBondContact O-N 3.16Å; D580-S583 WeakPolarHBondContact O-CB 3.48Å; D580-S583 PolarHBondContact O-N 3.43Å; D580-S583 PolarHBondContact O-OG 3.12Å; D580-E584 PolarHBondContact O-N 3.32Å
581V58.5Low59.9Low51 Ų5192.6 Ų92.631%0.30951%0.508SS..Hα-helixtrans-59.6-38.3-1751720000112K577 S583 E584 I585K577-V581 WeakPolarHBondContact O-CG2 3.45Å; K577-V581 PolarHBondContact O-N 2.94Å; V581-S583 VanDerWaalsContact C-N 3.3Å; V581-S583 PolarHBondContact O-N 3.19Å; V581-E584 PolarHBondContact O-N 3.3Å; V581-I585 HydrophobicContact CG1-CD1 3.64Å; V581-I585 HydrophobicContact CG1-CG1 4.3Å; V581-I585 WeakPolarHBondContact O-CB 3.34Å; V581-I585 VanDerWaalsContact O-CG1 3.26Å; V581-I585 WeakPolarHBondContact O-CG1 3.47Å; V581-I585 PolarHBondContact O-N 3.04Å
582V66.7Low60.8Low87 Ų8789.5 Ų89.553%0.52749%0.485SS..Hα-helixtrans-64.5-35.7176.3177.60000111.3D580 N586D580-V582 VanDerWaalsContact C-N 3.3Å; D580-V582 PolarHBondContact O-N 3.16Å; V582-N586 WeakPolarHBondContact O-CB 3.36Å; V582-N586 VanDerWaalsContact O-CG 3.28Å; V582-N586 PolarHBondContact O-N 3Å; V582-N586 VanDerWaalsContact O-N 3.09Å; V582-N586 PolarHBondContact O-ND2 3.06Å; V582-N586 VanDerWaalsContact O-ND2 3.08Å
583S67.5Low61.6Low71 Ų7190.3 Ų90.350%0.49749%0.493SS..Hα-helixtrans-71-44.3176.777.70000112.4D580 V581 N586 Q587D580-S583 WeakPolarHBondContact O-CB 3.48Å; D580-S583 PolarHBondContact O-N 3.43Å; D580-S583 PolarHBondContact O-OG 3.12Å; V581-S583 VanDerWaalsContact C-N 3.3Å; V581-S583 PolarHBondContact O-N 3.19Å; S583-N586 PolarHBondContact O-N 3.34Å; S583-Q587 WeakPolarHBondContact O-CB 3.34Å; S583-Q587 PolarHBondContact O-N 3.42Å
584E64.4Low62.1Low58 Ų5893.6 Ų93.627%0.27151%0.505SS..Hα-helixtrans-68.5-37-178.6-156175.9-115.700111.3L572 R573 D580 V581 T588L572-E584 HydrophobicContact CD2-CG 4.24Å; R573-E584 PolarHBondContact N-OE2 3.41Å; D580-E584 PolarHBondContact O-N 3.32Å; V581-E584 PolarHBondContact O-N 3.3Å; E584-T588 WeakPolarHBondContact O-CB 3.49Å; E584-T588 PolarHBondContact O-N 3.06Å; E584-T588 PolarHBondContact O-OG1 3.32Å
585I71.8Confident62.9Low81 Ų8189.7 Ų89.742%0.41548%0.482SS..Hα-helixtrans-63.8-50.9171-70.1171.7000111L572 V581 Q587 T588 F589L572-I585 HydrophobicContact CD2-CG1 4.4Å; V581-I585 HydrophobicContact CG1-CD1 3.64Å; V581-I585 HydrophobicContact CG1-CG1 4.3Å; V581-I585 WeakPolarHBondContact O-CB 3.34Å; V581-I585 VanDerWaalsContact O-CG1 3.26Å; V581-I585 WeakPolarHBondContact O-CG1 3.47Å; V581-I585 PolarHBondContact O-N 3.04Å; I585-Q587 VanDerWaalsContact C-N 3.27Å; I585-Q587 PolarHBondContact O-N 3.13Å; I585-T588 PolarHBondContact O-N 2.91Å; I585-T588 VanDerWaalsContact O-N 3.13Å; I585-F589 WeakPolarHBondContact O-CB 3.47Å; I585-F589 PolarHBondContact O-N 2.86Å
586N71.2Confident63.6Low95 Ų9588.9 Ų88.951%0.50847%0.474SS..Hα-helixtrans-61-36.7179.7-80-32.7000112.4V582 S583 S590V582-N586 WeakPolarHBondContact O-CB 3.36Å; V582-N586 VanDerWaalsContact O-CG 3.28Å; V582-N586 PolarHBondContact O-N 3Å; V582-N586 VanDerWaalsContact O-N 3.09Å; V582-N586 PolarHBondContact O-ND2 3.06Å; V582-N586 VanDerWaalsContact O-ND2 3.08Å; S583-N586 PolarHBondContact O-N 3.34Å; N586-S590 WeakPolarHBondContact O-CB 3.47Å; N586-S590 PolarHBondContact O-N 3.21Å; N586-S590 PolarHBondContact O-OG 2.92Å
587Q72.7Confident64.1Low138 Ų13890.6 Ų90.665%0.64548%0.475SS*.Hα-helixtrans-69-38.8175.8-167.6164.27.200111.9S583 I585 S590 T591S583-Q587 WeakPolarHBondContact O-CB 3.34Å; S583-Q587 PolarHBondContact O-N 3.42Å; I585-Q587 VanDerWaalsContact C-N 3.27Å; I585-Q587 PolarHBondContact O-N 3.13Å; Q587-S590 WeakPolarHBondContact O-CB 3.26Å; Q587-S590 PolarHBondContact O-N 2.96Å; Q587-T591 PolarHBondContact O-N 3.38Å; Q587-T591 PolarHBondContact O-OG1 3.33Å; Q587-T591 VanDerWaalsContact O-OG1 3.12Å
588T68.3Low64.2Low23 Ų2386.1 Ų86.114%0.14146%0.458CS..Hα-helixtrans-66.7-41.6174.1-560000112.1E584 I585 S590 T591 L592E584-T588 WeakPolarHBondContact O-CB 3.49Å; E584-T588 PolarHBondContact O-N 3.06Å; E584-T588 PolarHBondContact O-OG1 3.32Å; I585-T588 PolarHBondContact O-N 2.91Å; I585-T588 VanDerWaalsContact O-N 3.13Å; T588-S590 VanDerWaalsContact C-N 3.3Å; T588-S590 PolarHBondContact O-N 2.98Å; T588-T591 WeakPolarHBondContact CA-OG1 3.28Å; T588-T591 PolarHBondContact O-N 3.42Å; T588-T591 PolarHBondContact O-OG1 3.45Å; T588-L592 HydrophobicContact CG2-CD1 4.09Å; T588-L592 WeakPolarHBondContact O-CB 3.43Å; T588-L592 WeakPolarHBondContact O-CG 3.43Å; T588-L592 PolarHBondContact O-N 2.85Å
589F71.1Confident63.8Low116 Ų11687.4 Ų87.451%0.50946%0.46SS..Hα-helixtrans-63.6-39.1175.3-136.2-92.4000111.1I585 L592 T593 L598I585-F589 WeakPolarHBondContact O-CB 3.47Å; I585-F589 PolarHBondContact O-N 2.86Å; F589-L592 PolarHBondContact O-N 3.29Å; F589-T593 WeakPolarHBondContact O-CB 3.39Å; F589-T593 PolarHBondContact O-N 2.91Å; F589-T593 PolarHBondContact O-OG1 2.83Å; F589-L598 HydrophobicContact CD1-CD1 3.79Å; F589-L598 HydrophobicContact CD2-CD1 4.44Å; F589-L598 HydrophobicContact CE1-CD1 3.59Å; F589-L598 HydrophobicContact CE2-CD1 4.26Å; F589-L598 HydrophobicContact CG-CD1 4.23Å; F589-L598 HydrophobicContact CZ-CD1 3.84Å
590S70.1Confident63.1Low62 Ų6287.4 Ų87.443%0.43446%0.462SS..Hα-helixtrans-64.7-39176.2-62.20000112.6N586 Q587 T588 R594N586-S590 WeakPolarHBondContact O-CB 3.47Å; N586-S590 PolarHBondContact O-N 3.21Å; N586-S590 PolarHBondContact O-OG 2.92Å; Q587-S590 WeakPolarHBondContact O-CB 3.26Å; Q587-S590 PolarHBondContact O-N 2.96Å; T588-S590 VanDerWaalsContact C-N 3.3Å; T588-S590 PolarHBondContact O-N 2.98Å; S590-R594 WeakPolarHBondContact O-CB 3.4Å; S590-R594 VanDerWaalsContact O-CG 3.28Å; S590-R594 WeakPolarHBondContact O-CG 3.46Å; S590-R594 PolarHBondContact O-N 3.19Å
591T67.8Low62.1Low46 Ų4688.1 Ų88.128%0.28248%0.478SS..Hα-helixtrans-72.1-42.2173.336.10000112.5Q587 T588 T593 R594 H595Q587-T591 PolarHBondContact O-N 3.38Å; Q587-T591 PolarHBondContact O-OG1 3.33Å; Q587-T591 VanDerWaalsContact O-OG1 3.12Å; T588-T591 WeakPolarHBondContact CA-OG1 3.28Å; T588-T591 PolarHBondContact O-N 3.42Å; T588-T591 PolarHBondContact O-OG1 3.45Å; T591-T593 VanDerWaalsContact C-N 3.27Å; T591-T593 PolarHBondContact O-N 3.05Å; T591-R594 PolarHBondContact O-N 2.96Å; T591-H595 WeakPolarHBondContact O-CB 3.44Å; T591-H595 PolarHBondContact O-CD2 3.18Å; T591-H595 PolarHBondContact O-N 2.68Å
592L70.6Confident60.9Low19 Ų1989.1 Ų89.110%0.09950%0.499CS..Hα-helixtrans-58.4-39.3175.5-74.9166.4000112.3L568 T588 F589 G596 F597 L598L568-L592 HydrophobicContact CD1-CD2 3.74Å; L568-L592 HydrophobicContact CD1-CG 4.36Å; T588-L592 HydrophobicContact CG2-CD1 4.09Å; T588-L592 WeakPolarHBondContact O-CB 3.43Å; T588-L592 WeakPolarHBondContact O-CG 3.43Å; T588-L592 PolarHBondContact O-N 2.85Å; F589-L592 PolarHBondContact O-N 3.29Å; L592-G596 PolarHBondContact O-N 2.97Å; L592-F597 HydrophobicContact CD2-CB 3.96Å; L592-F597 HydrophobicContact CD2-CD2 4.39Å; L592-F597 HydrophobicContact CD2-CG 4.41Å; L592-F597 PolarHBondContact O-N 2.98Å; L592-L598 HydrophobicContact CB-CD1 3.72Å; L592-L598 HydrophobicContact CB-CG 4.02Å
593T71.3Confident59.4Low78 Ų7890.5 Ų90.548%0.47951%0.512SS..Hα-helixtrans-68-46.9174.3-55.40000111.6F589 T591 H595 G596F589-T593 WeakPolarHBondContact O-CB 3.39Å; F589-T593 PolarHBondContact O-N 2.91Å; F589-T593 PolarHBondContact O-OG1 2.83Å; T591-T593 VanDerWaalsContact C-N 3.27Å; T591-T593 PolarHBondContact O-N 3.05Å; T593-H595 VanDerWaalsContact C-N 3.26Å; T593-H595 PolarHBondContact O-N 2.99Å; T593-G596 PolarHBondContact O-N 3.04Å; T593-G596 VanDerWaalsContact O-N 3.12Å
594R65.1Low57.9Low216 Ų21689.5 Ų89.582%0.81551%0.513SS*.Hα-helixtrans-61.3-30.5177.2-78.3178.4-176-167.13113.8S590 T591S590-R594 WeakPolarHBondContact O-CB 3.4Å; S590-R594 VanDerWaalsContact O-CG 3.28Å; S590-R594 WeakPolarHBondContact O-CG 3.46Å; S590-R594 PolarHBondContact O-N 3.19Å; T591-R594 PolarHBondContact O-N 2.96Å
595H65.1Low56.4Low100 Ų10093.1 Ų93.146%0.46354%0.542SS..THydrogen-bonded Turntrans-92.57.2178.2-69-62.4000113.8T591 T593 F597T591-H595 WeakPolarHBondContact O-CB 3.44Å; T591-H595 PolarHBondContact O-CD2 3.18Å; T591-H595 PolarHBondContact O-N 2.68Å; T593-H595 VanDerWaalsContact C-N 3.26Å; T593-H595 PolarHBondContact O-N 2.99Å; H595-F597 VanDerWaalsContact C-N 3.26Å; H595-F597 HydrophobicContact CB-CD2 3.73Å; H595-F597 HydrophobicContact CB-CE2 3.93Å; H595-F597 PolarHBondContact O-N 3.31Å
596G58.5Low54.6Low58 Ų5898.4 Ų98.460%0.59856%0.563SS**THydrogen-bonded Turntrans73.99173.900000115.5L592 T593 L598L592-G596 PolarHBondContact O-N 2.97Å; T593-G596 PolarHBondContact O-N 3.04Å; T593-G596 VanDerWaalsContact O-N 3.12Å; G596-L598 PolarHBondContact O-N 2.74Å
597F58.6Low52.8Low92 Ų9299.1 Ų99.140%0.40457%0.572SS.*  trans-74.4-14.1177.2-72.4-73.8000113.2L592 H595L592-F597 HydrophobicContact CD2-CB 3.96Å; L592-F597 HydrophobicContact CD2-CD2 4.39Å; L592-F597 HydrophobicContact CD2-CG 4.41Å; L592-F597 PolarHBondContact O-N 2.98Å; H595-F597 VanDerWaalsContact C-N 3.26Å; H595-F597 HydrophobicContact CB-CD2 3.73Å; H595-F597 HydrophobicContact CB-CE2 3.93Å; H595-F597 PolarHBondContact O-N 3.31Å
598L45.8Very low50.7Low56 Ų56100.9 Ų100.929%0.29359%0.585SS.*SBendtrans-117.393174.8-65.5174.1000109.9F589 L592 G596 M600F589-L598 HydrophobicContact CD1-CD1 3.79Å; F589-L598 HydrophobicContact CD2-CD1 4.44Å; F589-L598 HydrophobicContact CE1-CD1 3.59Å; F589-L598 HydrophobicContact CE2-CD1 4.26Å; F589-L598 HydrophobicContact CG-CD1 4.23Å; F589-L598 HydrophobicContact CZ-CD1 3.84Å; L592-L598 HydrophobicContact CB-CD1 3.72Å; L592-L598 HydrophobicContact CB-CG 4.02Å; G596-L598 PolarHBondContact O-N 2.74Å; L598-M600 PolarHBondContact O-N 3.32Å
599N41.5Very low49.1Very low152 Ų152107.5 Ų107.581%0.81362%0.618SS**  trans-78.165.1177.1-171.621.5000111.8A601N599-A601 PolarHBondContact O-N 3.09Å
600M43.3Very low47.3Very low160 Ų160107.1 Ų107.179%0.78863%0.63SS**  trans-81.987.2174.2-76.9-63.7-66.700110.4L598 G602L598-M600 PolarHBondContact O-N 3.32Å; M600-G602 PolarHBondContact O-N 3.08Å
601A34.8Very low45.5Very low91 Ų91110.4 Ų110.475%0.75265%0.65SS**  trans-72112.2172.700000111.2N599N599-A601 PolarHBondContact O-N 3.09Å
602G32.2Very low44Very low73 Ų73113.3 Ų113.375%0.75368%0.678SS**  trans92.784.4158.700000117.7M600M600-G602 PolarHBondContact O-N 3.08Å
603S35.5Very low42.2Very low115 Ų115115.8 Ų115.880%0.80471%0.708SS**  trans-168.6155.513623.60000110.4
604G35.2Very low40.5Very low50 Ų50117.2 Ų117.252%0.51572%0.722SS.*  trans-78.1167.8-174.900000114.4F606G604-F606 PolarHBondContact O-N 3.29Å
605P33.9Very low39Very low135 Ų135115.8 Ų115.888%0.87772%0.724SS**  trans-72.1114.8179.329.7-33.9000111.3
606F34Very low37.7Very low192 Ų192116.5 Ų116.584%0.84274%0.738SS**PPolyproline II helixtrans-85.8132.6170.5-78.4-82.7000111G604G604-F606 PolarHBondContact O-N 3.29Å
607P33.7Very low36.6Very low110 Ų110118 Ų11871%0.71475%0.745SS**PPolyproline II helixtrans-82.3160.4-175.133.4-36.2000113.5
608L27.9Very low35.4Very low175 Ų175118 Ų11892%0.91676%0.756SS**PPolyproline II helixtrans-65.9128.7175.1-62165000111.8
609I34.2Very low34.8Very low161 Ų161125.5 Ų125.583%0.82678%0.782SS**  trans-137.6131.5162.3-60.7-176000109.4
610S34.2Very low34.5Very low108 Ų108125.8 Ų125.876%0.75578%0.782SS**  trans-86.5160.1-178.9-60.30000112.7
611P32.9Very low34.1Very low132 Ų132122.1 Ų122.186%0.85778%0.777SS**  trans-87.9125.6-166.932.6-35000115.1
612A35.8Very low34.6Very low107 Ų107122.9 Ų122.988%0.88477%0.774SS**  trans-167.6149.7155.800000111.2
613G33Very low34.8Very low70 Ų70126.5 Ų126.572%0.72278%0.776SS**  trans113.179156.400000120
614S35.4Very low34.7Very low109 Ų109128.2 Ų128.276%0.76278%0.775SS**  trans38.7107.2133.960.10000123.8
615Q34.5Very low34.8Very low185 Ų185129.8 Ų129.886%0.86478%0.783SS**  65.3162121.1-62.9-61.27.600121.6
616P37.4Very low34.9Very low116 Ų116129 Ų12975%0.75378%0.776SS**  trans-136172-141.943.7-25.9000118.5
617A35.2Very low34.9Very low90 Ų90127.8 Ų127.874%0.74477%0.772SS**  trans-158.6136.2160.400000107.6
618S34.2Very low35Very low92 Ų92129.7 Ų129.764%0.64378%0.776SS**  cis107.2157.827.677.20000113.1
619Y32.4Very low35.6Very low213 Ų213127.2 Ų127.284%0.83577%0.77SS**  trans72.2139.6-170.5-57.3-91.5000114.7
620I35.4Very low35.5Very low157 Ų157124.3 Ų124.381%0.80576%0.764SS**  cis-148.8158.52.4-111.9155000111.2
621A33.8Very low35.7Very low84 Ų84124 Ų12469%0.69476%0.759SS**  trans-105.3-140.7175.800000110.4
622P45.2Very low35.4Very low106 Ų106124 Ų12469%0.68876%0.757SS**  cis-135-173-7.344.9-27.2000115
623L37.1Very low35.1Very low150 Ų150122.9 Ų122.979%0.78575%0.748SS**  trans171.3107.5134.1-90.1166.1000107.9
624L34.5Very low34.8Very low151 Ų151128.5 Ų128.579%0.79176%0.755SS**  60.6128.298.7-90.270.4000114.6
625A35.6Very low34.6Very low82 Ų82128.8 Ų128.868%0.67876%0.757SS**  cis-158.8-156.8-3.100000109.1
626T36.1Very low34.2Very low119 Ų119131.2 Ų131.273%0.7376%0.759SS**  cis-165.7145.910.1-8.40000110.1
627H35.5Very low33.7Very low167 Ų167131 Ų13177%0.77376%0.76SS**  trans58.5131.2167.5-73.3-98.1000119.6
628L34.9Very low33.2Very low150 Ų150131.1 Ų131.179%0.78576%0.755SS**  cis76.6142.829.7-65.1168.9000115.5
629P39.9Very low32.8Very low122 Ų122134 Ų13479%0.79276%0.762SS**  cis-135.7-171.625.743.4-25.6000117.9
630S32Very low32.7Very low100 Ų100131 Ų13170%0.69976%0.759SS**  trans-96.5-154.3174.353.60000110.6
631P38.5Very low32.3Very low102 Ų102130 Ų13066%0.66276%0.755SS**  cis-150.8-162.96.440-14.6000118.4
632T27.1Very low32.5Very low132 Ų132132.2 Ų132.281%0.8176%0.761SS**  trans80.6162.5145.240.40000123.4
633A30.1Very low31.7Very low83 Ų83132.9 Ų132.969%0.68676%0.755SS**  trans70.9115.8-178.600000114.8
634E26.9Very low31.5Very low189 Ų189133.5 Ų133.588%0.88376%0.76SS**  62.5127.559.7-57.3-174.2136.600112
635S30.3Very low31.3Very low115 Ų115131.7 Ų131.780%0.80475%0.751SS**  cis-154.6169.935.655.90000115
636R25.6Very low31.1Very low235 Ų235133.2 Ų133.289%0.88776%0.756SS**  trans-55.4145.3165.4-63.2160.7167.9159.8-7.1110.4
637S26.9Very low30.7Very low113 Ų113130.6 Ų130.679%0.7975%0.747SS**  163.6157.5105.847.70000108.2
638S26.2Very low30.4Very low91 Ų91129.5 Ų129.564%0.63675%0.747SS**  cis-172.3166-5.839.20000109.2
639I25.7Very low30Very low153 Ų153129 Ų12979%0.78574%0.744SS**  trans41.5111.7139-58.6159.5000115.4
640I30.3Very low29.4Very low150 Ų150131.4 Ų131.477%0.76974%0.742SS**  -148.6143.159.7-67175000111.1
641L25.3Very low29.2Very low137 Ų137133 Ų13372%0.71775%0.747SS**  trans-93136156.3-71.3170.3000109.6E643L641-E643 HydrophobicContact CD1-CG 4.5Å; L641-E643 PolarHBondContact O-N 3.15Å
642P38.6Very low28.8Very low129 Ų129131 Ų13184%0.83875%0.746SS**  trans-80.779146.632.8-27.9000108.5
643E29.5Very low29.1Very low120 Ų120131.3 Ų131.356%0.56175%0.747SS**  trans-65.7137133.9-76.8-167.576.200108.8L641 N645L641-E643 HydrophobicContact CD1-CG 4.5Å; L641-E643 PolarHBondContact O-N 3.15Å; E643-N645 HydrophobicContact CB-CB 4.37Å; E643-N645 PolarHBondContact OE1-ND2 3.21Å
644D32.9Very low29.1Very low164 Ų164138.4 Ų138.488%0.87776%0.756SS**  trans-176.192.7145.5-98.7-24.6000104.9
645N28.6Very low29.6Very low112 Ų112134.8 Ų134.860%0.59975%0.749SS**  cis77.451.327.5-147.1-1.9000115.5E643E643-N645 HydrophobicContact CB-CB 4.37Å; E643-N645 PolarHBondContact OE1-ND2 3.21Å
646S32.5Very low29.5Very low114 Ų114133.3 Ų133.380%0.79774%0.739SS**  trans-136.2117.8147.545.50000107.6
647A27.9Very low30.1Very low64 Ų64129.5 Ų129.553%0.52974%0.742SS.*  cis68136.325.800000114.1
648N28.1Very low30.7Very low145 Ų145130.8 Ų130.878%0.77574%0.739SS**  trans72.9139.8168.3-53.7-40.7000115.9
649L26.8Very low31.5Very low138 Ų138131 Ų13172%0.72374%0.737SS**  cis-167.4-177.3-14.9-152.561.1000109.6
650F27.2Very low31.8Very low173 Ų173129.9 Ų129.976%0.75973%0.733SS**  trans71.3115.2170.3-84.5-115.9000116.5
651V28.9Very low31.7Very low133 Ų133128.3 Ų128.381%0.80673%0.731SS**  82.6120.964.3167.40000111.9
652G29.2Very low31.8Very low62 Ų62126.4 Ų126.464%0.63973%0.729SS**  cis173.6-163.2-2.100000113.5
653V33.5Very low31.2Very low138 Ų138128.6 Ų128.684%0.83673%0.726SS**  trans73102.3176.5-166.70000114.1
654R29.7Very low31.2Very low231 Ų231129.2 Ų129.287%0.87273%0.73SS**  75.8147.864.5-76.9-171.2164.4-163.3-2114.8
655P37Very low31Very low113 Ų113130.9 Ų130.973%0.73472%0.724SS**  -142.6161.8-56.537.6-19000114.3
656S29.4Very low31.2Very low84 Ų84130.7 Ų130.759%0.58773%0.727SS**SBendtrans169.299.2141.3370000113.3I658S656-I658 VanDerWaalsContact O-CD1 3.3Å; S656-I658 WeakPolarHBondContact O-CD1 3.33Å; S656-I658 WeakPolarHBondContact O-CG1 3.34Å; S656-I658 PolarHBondContact O-N 3.23Å
657T38.2Very low31Very low155 Ų155130.9 Ų130.995%0.95172%0.724SS**SBendtrans40.762162.848.10000115.5
658I39.2Very low31Very low141 Ų141136.1 Ų136.172%0.72374%0.735SS**  trans-126.9153-164.2-97.8159.1000112.8S656S656-I658 VanDerWaalsContact O-CD1 3.3Å; S656-I658 WeakPolarHBondContact O-CD1 3.33Å; S656-I658 WeakPolarHBondContact O-CG1 3.34Å; S656-I658 PolarHBondContact O-N 3.23Å
659P43.5Very low31.2Very low94 Ų94136.8 Ų136.861%0.6173%0.733SS**  trans-137.5-156.3-151.637-12.4000113.8
660D32Very low31.3Very low130 Ų130136.1 Ų136.170%0.69573%0.734SS**  trans61120.5138.1-68.2-19.1000123.7
661T28.9Very low31.6Very low117 Ų117132.9 Ų132.972%0.71873%0.731SS**  71.1126128.865.60000123.2
662S26.5Very low31.5Very low98 Ų98131.2 Ų131.269%0.68573%0.725SS**  79.6136.9124.674.70000123.8
663F27Very low31.4Very low175 Ų175138.7 Ų138.777%0.76874%0.736SS**  trans81.7133.7134-93.7-134000122.9
664M28.7Very low31.1Very low132 Ų132136 Ų13665%0.6572%0.723SS**  trans72.7147.9142.8-81-163.1-177.900119.8
665R29.1Very low30.9Very low200 Ų200131.7 Ų131.776%0.75572%0.717SS**  cis-166-172-16-152.7177.7-168.3165.90.2109.7
666T31.4Very low30.4Very low107 Ų107131.3 Ų131.366%0.65672%0.717SS**  trans79.7107.3155.963.30000121.5
667T29.9Very low30.4Very low119 Ų119133.1 Ų133.173%0.7373%0.725SS**  66.1145127.962.50000120.2
668K27.4Very low29.9Very low173 Ų173130.3 Ų130.375%0.75271%0.712SS**  cis-162.11704.7-129.9172.6179.7-173.10111.4
669H32.6Very low29.3Very low160 Ų160130.2 Ų130.274%0.74171%0.713SS**  trans70.9105.5161.7-77-71000120.7
670T28.5Very low28.6Very low123 Ų123130.5 Ų130.576%0.75571%0.712SS**  trans-57.3171.4141.645.60000111.8
671P33.4Very low28.4Very low105 Ų105134.3 Ų134.368%0.68272%0.718SS**  cis-150.1173.127.943.3-22.5000120.7
672S25.6Very low28.4Very low98 Ų98131.9 Ų131.969%0.68571%0.706SS**  trans68.3153.614165.40000122.4
673Y27.2Very low28.6Very low220 Ų220133.8 Ų133.886%0.86370%0.704SS**  trans64.3147.8175.5-89.4-116.9000115.7
674S27Very low28.9Very low81 Ų81131.9 Ų131.957%0.56670%0.702SS**  cis-169.2160.9-22.749.30000109.4
675D26.8Very low29Very low141 Ų141132.7 Ų132.775%0.75470%0.704SS**  trans32.7139.9146.2-72.1-53.4000122.6
676S27Very low29.2Very low105 Ų105128.1 Ų128.173%0.73470%0.702SS**  trans70.7158.3142.777.60000118
677T27.8Very low29.4Very low121 Ų121131.3 Ų131.374%0.74272%0.715SS**  cis-164-178.5-35.237.40000104.7
678S28.2Very low29.6Very low97 Ų97129.3 Ų129.368%0.67872%0.718SS**  trans76.4160.3146940000116.1
679N27.7Very low29.7Very low139 Ų139127.8 Ų127.874%0.74372%0.723SS**  cis-158.8147.8-22.1-115.20.1000110.7
680V28.3Very low29.8Very low99 Ų99125.3 Ų125.360%0.672%0.721SS**  46.1139129.5-172.40000119.9
681Y27.4Very low29.9Very low210 Ų210124.9 Ų124.982%0.82472%0.723SS**  159.4141.2126.8-100.1-103000109.2
682S29.3Very low29.8Very low67 Ų67125.1 Ų125.147%0.46973%0.727SS.*  cis-178.5167.2-21.3-1100000111.3
683H30.8Very low29.9Very low138 Ų138128.3 Ų128.364%0.63973%0.728SS**  trans65.5155.2161-64.7-51.1000117.4
684N32.3Very low30.1Very low135 Ų135123.6 Ų123.672%0.72273%0.725SS**  cis-119.1131.89.5-80.9-69.4000111.3
685Q31.3Very low30.1Very low149 Ų149123.4 Ų123.470%0.69672%0.72SS**  58.2108.886.9-60.2-170.952.700115.6
686S34.2Very low30.2Very low103 Ų103126.4 Ų126.472%0.7273%0.73SS**  -179.8131.7124.6-161.10000112.9
687L34.9Very low30.1Very low174 Ų174125.3 Ų125.391%0.91172%0.722SS**  trans49127.7154.1-62.2165.2000122.1
688G33.2Very low30.2Very low77 Ų77131.1 Ų131.179%0.79473%0.732SS**  trans135103.8150.300000118.2
689V29.5Very low30.1Very low142 Ų142130.4 Ų130.486%0.86173%0.728SS**  trans-141142.9172.5-1670000105.2
690P35.7Very low30Very low108 Ų108132.5 Ų132.570%0.70173%0.733SS**  cis-149.5-16342.445.2-24.1000117.3
691S29.3Very low30.1Very low113 Ų113135.2 Ų135.279%0.7974%0.742SS**  trans70.3157.2155.9-78.80000119.5
692S32.1Very low30.1Very low110 Ų110130.8 Ų130.877%0.76974%0.737SS**  cis-164.6168.2-21.149.40000111
693K28.6Very low29.9Very low165 Ų165133.6 Ų133.672%0.71776%0.756SS**  trans-68.1166.3177-60.6170.1155.1-167.80112.5T695K693-T695 VanDerWaalsContact CD-OG1 3.32Å; K693-T695 WeakPolarHBondContact CD-OG1 3.36Å
694P31.1Very low29.8Very low122 Ų122130.1 Ų130.179%0.79276%0.758SS**  -115.3158.765.237.4-34.4000113.1
695T27.3Very low29.6Very low76 Ų76132 Ų13247%0.46676%0.762SS.*  cis58.484.82.3-47.90000116.5K693 S697K693-T695 VanDerWaalsContact CD-OG1 3.32Å; K693-T695 WeakPolarHBondContact CD-OG1 3.36Å; T695-S697 VanDerWaalsContact CG2-OG 3.24Å; T695-S697 WeakPolarHBondContact CG2-OG 3.3Å
696Q28.6Very low29.6Very low204 Ų204132.3 Ų132.395%0.95376%0.764SS**  trans-95.293.2137.7-83-168.6-12.600108.6
697S25.3Very low29.5Very low83 Ų83134.9 Ų134.958%0.5876%0.764SS**  trans-107.2120.7155.953.70000106.6T695T695-S697 VanDerWaalsContact CG2-OG 3.24Å; T695-S697 WeakPolarHBondContact CG2-OG 3.3Å
698Y29.1Very low29.3Very low242 Ų242132.4 Ų132.495%0.94975%0.752SS**  trans-104.5111.5166.2-135.9-84.3000107.9
699S25.6Very low29.6Very low83 Ų83132.7 Ų132.758%0.5874%0.74SS**  trans-127.8130.7-173.652.30000110.1
700E25.8Very low29.7Very low183 Ų183132 Ų13286%0.85573%0.731SS**  trans42.596.5153.1-60-175.5115.100119.1
701I29.7Very low29.6Very low156 Ų156134.6 Ų134.680%0.873%0.734SS**  trans-134.398.2146.3-60.1-176.2000104.9
702V27.8Very low29.9Very low117 Ų117133.2 Ų133.271%0.70972%0.724SS**  77.910578.5172.50000113.5
703S26Very low29.9Very low125 Ų125135.6 Ų135.687%0.87473%0.727SS**  trans60.2140.4146.4-57.50000122.8
704G28.4Very low29.8Very low66 Ų66133 Ų13368%0.6873%0.728SS**  trans129121.617600000109.8
705H28.7Very low29.8Very low173 Ų173131.7 Ų131.780%0.80172%0.722SS**  54.9122.361.7-76.546.4000111.8
706E30.7Very low30.2Very low156 Ų156135.7 Ų135.773%0.72974%0.736SS**  cis-141.7164.311.3-107.3160.687.300110.7
707H31Very low30.3Very low158 Ų158131 Ų13173%0.73173%0.725SS**  35.6133.293.3-83.5-89.4000113.8
708D32.1Very low30.8Very low122 Ų122132.8 Ų132.865%0.65274%0.738SS**  cis-169.4-154.11.6-143.6-1.3000108.9
709P39.5Very low31Very low83 Ų83124.3 Ų124.354%0.53973%0.725SS.*  -110.1-153.4-77.420.32.7000109.5
710N31.3Very low31.3Very low127 Ų127126.5 Ų126.568%0.67974%0.738SS**  trans72.6142153.5-58-36.1000116
711Q33.9Very low31.8Very low163 Ų163125 Ų12576%0.76274%0.735SS**  cis176.2164.1-1.5-107.9173.354.200102.4
712S34.3Very low32.2Very low84 Ų84123.4 Ų123.459%0.58773%0.734SS**  cis-159.8153.22.828.90000110.2
713L32.4Very low32.8Very low159 Ų159122.2 Ų122.283%0.83274%0.737SS**  trans49114.9141.9-57.3167.7000118.7
714C27.1Very low33.4Very low110 Ų110124.5 Ų124.574%0.74373%0.731SS**  62.3117.756.9-170.20000114.2
715S31Very low33.8Very low95 Ų95128.3 Ų128.366%0.66473%0.731SS**  trans161.2144.7152.3-800000110.1
716Q34.9Very low34.4Very low160 Ų160128.3 Ų128.375%0.74873%0.731SS**  cis-164.4146.5-6.7-121.2168.773.600110.8
717S30.9Very low34.5Very low105 Ų105126.6 Ų126.673%0.73473%0.727SS**  trans51.3153.3145.363.10000121.6
718S36.1Very low34.8Very low122 Ų122124.6 Ų124.685%0.85373%0.726SS**  cis-157.5162.9-0.9380000108.5
719G33.1Very low34.9Very low64 Ų64124.4 Ų124.466%0.6672%0.724SS**  cis171.2-171.5-3.400000111.3
720C33.4Very low34.7Very low128 Ų128128.4 Ų128.487%0.86574%0.735SS**  trans71.5132.2173.5-59.70000117.2
721I36.2Very low34.7Very low153 Ų153127.2 Ų127.279%0.78573%0.732SS**  cis-143.6140.5-6.2-86.2140.5000108.3
722P38.2Very low34.5Very low121 Ų121128.5 Ų128.579%0.78674%0.736SS**  trans-107166177.139.9-33.9000114.2
723A40Very low34.6Very low93 Ų93129.6 Ų129.677%0.76974%0.741SS**  trans-154.2109161.600000113.4
724K37.6Very low34.4Very low172 Ų172127.4 Ų127.475%0.74874%0.738SS**  trans57.7117.4145.4-62.2-163.4162.3-80.60118.8
725E37.9Very low34.6Very low146 Ų146131.7 Ų131.768%0.68274%0.744SS**  68.6131.380.2-66.9161.3170.600111.8
726E40.7Very low34.5Very low173 Ų173131.7 Ų131.781%0.80874%0.744SS**  cis-151.3173.425.8-132.8166.4153.800115.2
727N33.8Very low34.7Very low121 Ų121133.3 Ų133.365%0.64775%0.752SS**  trans-50.5169.7173-52.6-68.2000114.2I729N727-I729 HydrophobicContact CB-CD1 4.14Å
728V37.5Very low34.7Very low116 Ų116135.7 Ų135.770%0.70376%0.756SS**  cis-156119.749.6171.10000107.6
729I32.6Very low34.5Very low117 Ų117134.4 Ų134.460%0.675%0.753SS**  68.1144.381.5-53.1158.4000114.2N727N727-I729 HydrophobicContact CB-CD1 4.14Å
730H36.2Very low34.5Very low168 Ų168139.5 Ų139.578%0.77876%0.76SS**  trans99.8131.9173.9-61.6-74.8000118.2
731T31.3Very low34.3Very low101 Ų101142.3 Ų142.362%0.6276%0.757SS**  177.3108.5-53.9-870000109.3
732F28.9Very low33.9Very low191 Ų191140.6 Ų140.684%0.83876%0.758SS**  trans62.4175.8153.8-71.7-111.9000117.6
733P36.9Very low33.4Very low107 Ų107143 Ų14370%0.69576%0.758SS**  -139.1169.2-5941.4-26.4000116.6
734S27.8Very low32.9Very low112 Ų112147.8 Ų147.878%0.78376%0.762SS**  trans11.1127.5146.1-470000122.7
735K31.3Very low32.3Very low200 Ų200145 Ų14587%0.8777%0.765SS**  173.5109.9126.6-94.6173.1-179.9-173.70109.1
736S30.1Very low32Very low95 Ų95141.8 Ų141.866%0.66476%0.763SS**  64.9110.182.873.60000115.1
737H37.3Very low31.4Very low195 Ų195139 Ų13990%0.90376%0.763SS**  trans-155.9145.8157.9-116.3-81.6000110.5
738D32.4Very low31.4Very low154 Ų154138.8 Ų138.882%0.82477%0.771SS**  trans-100166.5-167.9-70.6-82.5000115.8
739A31.6Very low31Very low95 Ų95138.5 Ų138.579%0.78577%0.774SS**  trans72.2150.6161.700000116.7
740Q32.7Very low31Very low171 Ų171138 Ų13880%0.79979%0.787SS**  cis-142.3165.624.2-73.5179.5-42.100113.6
741F28.6Very low30.6Very low187 Ų187135.3 Ų135.382%0.8279%0.787SS**  trans33.5139141.9-74.3-117.6000119.7
742C29.6Very low30.7Very low118 Ų118137.7 Ų137.780%0.79780%0.801SS**  cis-160.217036-147.10000112.7
743E26.8Very low30.7Very low170 Ų170135.5 Ų135.579%0.79480%0.798SS**  trans-80.9160173.9-63.6174.872.500113.2
744F29.2Very low30.6Very low194 Ų194136.4 Ų136.485%0.85180%0.802SS**  -159.9141.3113.9-126.8-86.3000112.6
745S26Very low30.9Very low115 Ų115134.7 Ų134.780%0.80480%0.801SS**  trans-126107.9173.6-72.10000111.1
746A31Very low31Very low77 Ų77131.9 Ų131.964%0.63680%0.796SS**  trans-158.2110.6171.800000107.7
747S29Very low31.4Very low115 Ų115134.8 Ų134.880%0.80480%0.804SS**  85137.761.875.90000114.2
748S32.7Very low31.4Very low117 Ų117129.7 Ų129.782%0.81879%0.79SS**  trans112.2127.1164.5-1590000116.3
749S29.1Very low31.5Very low110 Ų110130.2 Ų130.277%0.76979%0.792SS**  trans-69.8145.2160.849.50000112
750A32.9Very low31.5Very low105 Ų105130.2 Ų130.287%0.86879%0.792SS**  trans-157.1136.4147.100000110.2
751S27.3Very low31.6Very low113 Ų113128.1 Ų128.179%0.7980%0.796SS**  trans-92.4141.9162.552.20000109.6
752V34.5Very low31.8Very low150 Ų150123 Ų12391%0.90979%0.788SS**  trans-164164.3149.41320000108.6
753D27.4Very low31.8Very low145 Ų145123.4 Ų123.478%0.77579%0.787SS**  trans-119.2177.6-155.3-148.9-42.9000112.6
754V34.9Very low32.1Very low127 Ų127122.3 Ų122.377%0.7779%0.786SS**  trans74.3134169.4-169.70000117.7
755G34.9Very low32.4Very low75 Ų75118.7 Ų118.777%0.77378%0.78SS**  trans16363.6172.100000114.5
756D33.9Very low32.8Very low142 Ų142121.3 Ų121.376%0.75978%0.78SS**  trans-68.3141.3-178.8-59.3-96000114.8
757D37.6Very low33Very low156 Ų156122.5 Ų122.583%0.83478%0.779SS**  trans175.2149.6139.2-99.5-29.8000110.7
758S36.6Very low33.3Very low88 Ų88122.2 Ų122.262%0.61577%0.772SS**  cis-172.5151.3-28.3-109.10000109.4
759L36.3Very low33.4Very low165 Ų165125.4 Ų125.486%0.86477%0.772SS**  trans68.1129.5171.4-55.8162.3000115.9
760A31.6Very low33.7Very low94 Ų94127.7 Ų127.778%0.77777%0.768SS**  73.114354.700000113.4
761S32.9Very low33.7Very low128 Ų128130.1 Ų130.190%0.89576%0.761SS**  cis-147.8-175.316.7-167.10000112.9
762A34.1Very low34.1Very low78 Ų78129.1 Ų129.165%0.64575%0.754SS**  trans-99.1169.6-160.900000117.7
763T29.7Very low34.2Very low127 Ų127129.7 Ų129.778%0.77975%0.751SS**  trans75127.2146.740.20000123.9
764L32.2Very low34.3Very low147 Ų147128.2 Ų128.277%0.7775%0.751SS**  trans83.8139.9137.4-75.3165.6000122.6
765T35.7Very low34.3Very low119 Ų119126.9 Ų126.973%0.7375%0.747SS**  trans64.2142.4156.440.30000118.9
766E33.8Very low34.6Very low170 Ų170128.3 Ų128.379%0.79475%0.745SS**  cis-168.5-178.1-14.8-151.6-165.1128.300110.5
767V36Very low34.7Very low101 Ų101129.4 Ų129.461%0.61274%0.743SS**  trans71.883.5157.1-172.10000121.7
768T35.6Very low34.7Very low109 Ų109127 Ų12767%0.66973%0.731SS**  55.9150.7128.679.50000126.3
769K34.1Very low34.6Very low185 Ų185130 Ų13080%0.80474%0.738SS**  trans73.4138.8154.6-71.7166.1-179.2164.80116.4
770K35.3Very low34.4Very low158 Ų158125.1 Ų125.169%0.68773%0.727SS**  cis-169.1144.516.8-132.6176.6164.7-152.90111.4
771Q34.2Very low34.4Very low155 Ų155127 Ų12772%0.72473%0.733SS**  trans60.2153.1153-67.2164.9-73.200117.9
772S34.7Very low34.2Very low93 Ų93127.5 Ų127.565%0.6574%0.735SS**  cis-168.5141.6-17.949.30000107.2
773L35.8Very low34.2Very low162 Ų162129.6 Ų129.685%0.84875%0.745SS**  -178.8166.790.8-102.7139.7000112.6
774C31.2Very low34.6Very low114 Ų114128.6 Ų128.677%0.7774%0.743SS**  trans-57.6172.8179.4-49.40000115.2
775S34.3Very low34.5Very low99 Ų99127.5 Ų127.569%0.69275%0.747SS**  cis-159.3152.919.1-152.40000114.6
776S40.1Very low34.7Very low104 Ų104127.8 Ų127.873%0.72775%0.75SS**  trans32.7124.9143.7-50.40000118.9
777K37.2Very low34.8Very low165 Ų165126.3 Ų126.372%0.71775%0.752SS**  cis-161.2-17529.8-123.4165.7158.1-77.60108.3
778D36.5Very low34.8Very low107 Ų107128.6 Ų128.657%0.57277%0.766SS**  cis-152.6-174.712.7-139.7-33.4000113.9
779I35.3Very low34.6Very low151 Ų151126.4 Ų126.477%0.77477%0.766SS**  trans-62.7141.1176.8-58151.1000112.2
780G32.8Very low34.7Very low61 Ų61123.8 Ų123.863%0.62977%0.771SS**  cis121.494.5-10.800000115.9
781C31.1Very low34.6Very low135 Ų135122 Ų12291%0.91278%0.778SS**  trans-166.6117.8156.1-104.10000112.9
782C28.5Very low34.8Very low138 Ų138120.3 Ų120.393%0.93278%0.781SS**  trans-139.4121.7165.9-76.90000109.5
783S34.5Very low34.7Very low121 Ų121121 Ų12185%0.84679%0.786SS**  trans-167.2154.616874.50000108.4
784S37.6Very low34.5Very low106 Ų106120 Ų12074%0.74178%0.78SS**  cis-151.6153.67.144.50000111.6
785C31.1Very low34.6Very low125 Ų125122.6 Ų122.685%0.84578%0.78SS**  trans-120.9128.5162.6-660000108.7
786P39.5Very low34.5Very low124 Ų124123.1 Ų123.181%0.80578%0.779SS**  trans-99.5129172.934.1-28.6000112
787V34.6Very low34.2Very low139 Ų139124.9 Ų124.984%0.84279%0.786SS**  trans-134.784.5172.5-177.30000110.9
788V37.2Very low34Very low149 Ų149122 Ų12290%0.90379%0.786SS**  trans-155.5138.6157.4-165.20000105.4
789G31.6Very low34Very low64 Ų64122.1 Ų122.166%0.6680%0.796SS**  cis131.374.12.100000111.9
790S35.2Very low34.1Very low129 Ų129120 Ų12090%0.90280%0.795SS**  trans-166.9161.7168.9-85.20000112.7
791S32.9Very low34.2Very low122 Ų122121.9 Ų121.985%0.85380%0.798SS**  trans-108.4171.1-164.1-66.30000114.1
792P38.1Very low34.5Very low119 Ų119121 Ų12177%0.77379%0.793SS**  trans-104.8169.2-154.640-37.2000117.2
793S32.9Very low35Very low108 Ų108122.8 Ų122.876%0.75579%0.792SS**  trans-158.3116.4158-75.20000109
794I32.2Very low35Very low140 Ų140120.7 Ų120.772%0.71879%0.79SS**  68.7106.589.7-60.9163.8000114.3
795H34Very low34.9Very low168 Ų168121.2 Ų121.278%0.77879%0.794SS**  trans160.196.1140.3-92.6-66.6000109.8
796T31.2Very low34.6Very low111 Ų111121.8 Ų121.868%0.68180%0.798SS**  71.998.383.163.10000116.7
797T34.6Very low34.3Very low140 Ų140120.5 Ų120.586%0.85980%0.798SS**  trans173.8150.4137.937.60000109.9
798S33.1Very low33.9Very low105 Ų105120.2 Ų120.273%0.73480%0.8SS**  cis175.789.4-47.946.70000111.4
799S36.8Very low33.8Very low109 Ų109119 Ų11976%0.76280%0.798SS**  trans-175.2134.6160.449.50000109.6
800S35.9Very low33.9Very low108 Ų108121.5 Ų121.576%0.75581%0.806SS**  cis72.9129.232.981.50000114.7
801S35.1Very low33.9Very low100 Ų100125.5 Ų125.570%0.69981%0.807SS**  cis-178.1137.4-2.245.60000112.9
802S37.7Very low33.9Very low117 Ų117126.9 Ų126.982%0.81880%0.804SS**  trans-174.8125.8150.947.30000108.5
803L38.7Very low33.7Very low174 Ų174129.5 Ų129.591%0.91181%0.811SS**  cis81119.829.7-69.2172.1000116.6
804G34.9Very low33.5Very low77 Ų77132.9 Ų132.979%0.79481%0.813SS**  trans107130.3168.300000114.5
805S35.1Very low33.7Very low117 Ų117134.9 Ų134.982%0.81882%0.819SS**  cis-166.4136.9-13.948.10000110.2
806C25.4Very low33.5Very low138 Ų138133.1 Ų133.193%0.93282%0.815SS**  trans-83.4148.7169.1-62.50000111.4
807A33.9Very low33.7Very low97 Ų97132.5 Ų132.580%0.80282%0.815SS**  trans-146.394.2171.100000111.8
808C26.3Very low33.5Very low132 Ų132130.4 Ų130.489%0.89281%0.806SS**  trans-96.6127.5157.6-67.60000107.9
809S35Very low33.6Very low123 Ų123131.8 Ų131.886%0.8681%0.811SS**  trans-145.8118.8170.6-78.70000110.2
810S33Very low33.4Very low118 Ų118135.5 Ų135.583%0.82582%0.816SS**  trans-81.4151.5177.132.50000111.9
811K34.2Very low33Very low212 Ų212135.7 Ų135.792%0.92282%0.816SS**  trans-135.8120.6156.9-100.8-177.8177.3177.80109.9
812L34.4Very low33Very low152 Ų152140 Ų14080%0.79683%0.825SS**  trans-75.5155.4168.2-67.2158.2000109.5
813N32.6Very low32.9Very low173 Ų173141.3 Ų141.393%0.92582%0.818SS**  trans-156.4148.7139.5-103.9-15.2000110
814F29Very low32.8Very low180 Ų180140 Ų14079%0.78981%0.811SS**  trans-123.5132.7-170.8-125.8-96.9000108.8
815H37.3Very low32.8Very low181 Ų181143 Ų14384%0.83880%0.804SS**  trans176.9118.6161.6-106.2-75.5000106.1
816D30.4Very low32.9Very low132 Ų132145.4 Ų145.471%0.70680%0.803SS**  cis85.7141.821.7-150.71.1000115.2
817S34.9Very low33.5Very low98 Ų98144.5 Ų144.569%0.68579%0.792SS**  trans83121.8-155.8-36.50000113.8
818S29.4Very low33.6Very low96 Ų96145.1 Ų145.167%0.67179%0.786SS**  cis107.3147.812.187.70000115.8
819T35.5Very low34Very low134 Ų134144.7 Ų144.782%0.82278%0.78SS**  trans71.5153.1-176.475.80000115.9
820Q33.1Very low34Very low187 Ų187147.3 Ų147.387%0.87478%0.778SS**  cis-143.61684.6-154.2170.51.300112.5
821C26.5Very low34Very low111 Ų111147.4 Ų147.475%0.7578%0.779SS**  trans-96.9158.8-169.4-41.30000115
822Q35.7Very low34.5Very low190 Ų190143.6 Ų143.689%0.88878%0.776SS**  trans171.3164.2131.3-95.1163.527.700111.5
823Q35Very low34.4Very low145 Ų145141.7 Ų141.768%0.67878%0.775SS**  -159.2172.1-62.1-176154.6-18.400108.6E825Q823-E825 WeakPolarHBondContact CG-OE1 3.18Å; Q823-E825 PolarHBondContact NE2-OE1 2.77Å; Q823-E825 VanDerWaalsContact NE2-OE1 3.15Å
824L36.6Very low34.6Very low147 Ų147137.6 Ų137.677%0.7776%0.76SS**  trans77.7141.3175.3-60.9106.4000117.8
825E35.1Very low34.9Very low139 Ų139138 Ų13865%0.6576%0.762SS**  cis175.8160.1-33.1-109.7140.4-120.400107.3Q823Q823-E825 WeakPolarHBondContact CG-OE1 3.18Å; Q823-E825 PolarHBondContact NE2-OE1 2.77Å; Q823-E825 VanDerWaalsContact NE2-OE1 3.15Å
826H38.1Very low34.8Very low169 Ų169133.5 Ų133.578%0.78275%0.75SS**  cis-161.9-150.24-178.6-134.1000108.7
827V37.1Very low35Very low118 Ų118133.8 Ų133.872%0.71575%0.752SS**  trans97.692.7158.5-1700000119
828V37.3Very low35Very low110 Ų110135.3 Ų135.367%0.66775%0.751SS**  trans62.896.7137.6178.50000117.3
829T34.4Very low35.3Very low124 Ų124137.6 Ų137.676%0.76176%0.755SS**  70.8146.571.5690000114.9
830E34.4Very low35.1Very low178 Ų178140.1 Ų140.183%0.83276%0.757SS**  cis-136.6173.120.1-69.6-173.913400114.7
831S33.8Very low35.3Very low120 Ų120134.6 Ų134.684%0.83975%0.75SS**  trans-161.4140.9159.9-69.60000110.4
832P44.8Very low35.5Very low131 Ų131134.2 Ų134.285%0.85175%0.749SS**  trans-120.6138.9166.936.1-25.3000113.6
833S31.1Very low35.4Very low113 Ų113134.1 Ų134.179%0.7975%0.746SS**  trans-117167.9164.367.10000110.1
834S36.1Very low35.1Very low86 Ų86132.6 Ų132.660%0.60175%0.747SS**  trans146.9157.6131.664.90000114.8
835K36.4Very low34.8Very low190 Ų190130.9 Ų130.983%0.82675%0.747SS**  trans74.6149.9161.7-59155.5-168.9171.60117.5
836S35.4Very low34.6Very low85 Ų85128.8 Ų128.859%0.59475%0.748SS**  cis-178.7156.5-27.454.30000110.4
837N34.6Very low34.3Very low138 Ų138125.4 Ų125.474%0.73874%0.743SS**  trans73.1156.8152.5-61.3-13.7000118.4
838I34.9Very low34Very low131 Ų131125.6 Ų125.667%0.67274%0.74SS**  cis-165.7166.5-18-107.5166.8000108.9
839L36.3Very low33.9Very low144 Ų144127.1 Ų127.175%0.75474%0.74SS**  trans69.9130.6171.1-106.450.8000115.5
840Q31.5Very low33.8Very low186 Ų186127.5 Ų127.587%0.86973%0.733SS**  cis88.4133.633.1-69.2-169.8-7.500116.3
841G35.5Very low33.7Very low71 Ų71125.2 Ų125.273%0.73273%0.726SS**  trans113.199.3176.600000112.5
842S31.8Very low33.9Very low103 Ų103124.9 Ų124.972%0.7272%0.719SS**  cis92.8135.129.691.80000114.7
843K34Very low33.4Very low188 Ų188123.8 Ų123.882%0.81772%0.715SS**  trans72.2154.3169.7-60.7175.8-179.11770116.2
844T28.2Very low33.8Very low114 Ų114124 Ų12470%0.69971%0.714SS**  cis-178.6166.5-3736.40000106
845S31Very low34.2Very low110 Ų110124.9 Ų124.977%0.76972%0.717SS**  trans62.7158.9160.240.60000117.1
846S30.5Very low34.4Very low96 Ų96124 Ų12467%0.67172%0.716SS**  cis-172.7173.6-2654.90000107.5
847S31.9Very low34.3Very low98 Ų98127.8 Ų127.869%0.68572%0.724SS**  trans63.9156.1158.837.20000116.5
848N30.9Very low34.4Very low122 Ų122127.5 Ų127.565%0.65272%0.721SS**  cis-151.8166.6-10.2-116.617.4000109.6
849E33.9Very low34.6Very low141 Ų141129.8 Ų129.866%0.65973%0.726SS**  trans38.6151.7136.1-58.217712400121.8
850Q32Very low34.7Very low132 Ų132128 Ų12862%0.61772%0.721SS**  cis-174.7177.3-10.5-107.6170.624.100106.9
851N33.8Very low35.2Very low130 Ų130126 Ų12670%0.69572%0.717SS**  trans70.3150.4156-56.5-30.8000118.4
852T36.6Very low35.7Very low113 Ų113134.2 Ų134.269%0.69374%0.744SS**  cis-163.7123.1-26.828.30000110.6
853S34.3Very low35.8Very low109 Ų109135.8 Ų135.876%0.76275%0.745SS**  trans61-170.6131.1-35.10000118.8
854P40.5Very low35.9Very low118 Ų118133.1 Ų133.177%0.76674%0.741SS**  -135.5-132.8-126.138.7-12.2000113.1
855P44.2Very low36.4Very low103 Ų103134.1 Ų134.167%0.66974%0.744SS**  -108.5-170.7-69.438.6-24.1000113.2
856H40.2Very low36.7Very low172 Ų172135.5 Ų135.580%0.79674%0.742SS**  trans142.1132158.4-86.7-76.3000108.7
857Q34.8Very low37.1Very low165 Ų165138 Ų13877%0.77175%0.747SS**  cis90.212816.4-143.3-158.672.100117.1
858I36.2Very low37.4Very low131 Ų131140.7 Ų140.767%0.67275%0.751SS**  trans97.7134.6162.4-55.9174.1000118.9
859K39.1Very low37.9Very low180 Ų180142 Ų14278%0.78376%0.758SS**  trans91.4102171.4-82.9158.1178.1-1760116.4
860T38.5Very low38.2Very low106 Ų106142.1 Ų142.165%0.6577%0.765SS**  cis81.9139.449.375.10000115.3
861D41.7Very low38.7Very low145 Ų145142.9 Ų142.978%0.77578%0.778SS**  trans85.8122.5160.8-46.6-55.8000118.3
862N44.5Very low39.2Very low243 Ų243144.1 Ų144.1100%1.29979%0.785SS**  trans66.20-174.5-63.2-21.6000116.7

Retrieved 862 of 862 residues in 900.6 ms (Link to these results)

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