A0A3Q0KCX0_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KCX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 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
1M28.9Very low27.5Very low244 Ų244144.7 Ų144.7100%1.20280%0.8SS**  083.60-80-174-91.600108.4C3M1-C3 PolarHBondContact O-N 2.64Å
2S21.9Very low28Very low117 Ų117139.8 Ų139.882%0.81881%0.806SS**  trans-74.3103.91751740000107.6I4S2-I4 PolarHBondContact O-N 3.11Å
3C23.7Very low28.8Very low118 Ų118137.2 Ų137.280%0.79778%0.782SS**  trans-80.8101.1175-149.70000107.4M1 V5M1-C3 PolarHBondContact O-N 2.64Å; C3-V5 PolarHBondContact O-N 3.12Å; C3-V5 VanDerWaalsContact O-N 3.16Å
4I24.7Very low29.6Very low143 Ų143135.5 Ų135.573%0.73378%0.776SS**  trans-60110166.3-66.9168.1000106.3S2 Q6S2-I4 PolarHBondContact O-N 3.11Å; I4-Q6 PolarHBondContact O-N 2.63Å; I4-Q6 VanDerWaalsContact O-N 3.1Å
5V29.4Very low31Very low131 Ų131129 Ų12979%0.79474%0.736SS**  trans-68.5109.4174.7-176.10000107.2C3 T7C3-V5 PolarHBondContact O-N 3.12Å; C3-V5 VanDerWaalsContact O-N 3.16Å; V5-T7 PolarHBondContact O-N 3.5Å
6Q25.1Very low32Very low177 Ų177129.9 Ų129.983%0.82773%0.731SS**  trans-55.5117.5172.1-88.3169.5-52.100110.1I4 A8I4-Q6 PolarHBondContact O-N 2.63Å; I4-Q6 VanDerWaalsContact O-N 3.1Å; Q6-A8 PolarHBondContact O-N 3.02Å
7T26.1Very low33.4Very low119 Ų119126.8 Ų126.873%0.7372%0.721SS**  trans-63.8106.8159.827.80000108.9V5V5-T7 PolarHBondContact O-N 3.5Å
8A27.9Very low35.3Very low85 Ų85124.5 Ų124.570%0.70271%0.709SS**  trans-125.998.4170.200000110.6Q6Q6-A8 PolarHBondContact O-N 3.02Å
9Y28.3Very low37.7Very low219 Ų219119.4 Ų119.486%0.85968%0.678SS**  trans27.8113.2142.7-70.5-91.2000120
10T31.9Very low40.1Very low71 Ų71120.9 Ų120.944%0.43668%0.677SS.*  trans-152.8126131.4400000110.7Q84T10-Q84 HydrophobicContact CG2-CG 4.47Å
11N34.3Very low42.3Very low168 Ų168115.7 Ų115.790%0.89865%0.648SS**THydrogen-bonded Turntrans32.281.2165-65.2-9.4000117.7Q13N11-Q13 VanDerWaalsContact C-N 3.27Å; N11-Q13 PolarHBondContact O-N 2.71Å
12G33.5Very low45.2Very low85 Ų85109.5 Ų109.588%0.87662%0.616SS**THydrogen-bonded Turntrans76-8.5152.200000118.1
13Q38.5Very low48.6Very low106 Ų106107.3 Ų107.350%0.49559%0.592SS.*  trans-115.790167.2-79.7-174.6-26.200109.8N11 F15N11-Q13 VanDerWaalsContact C-N 3.27Å; N11-Q13 PolarHBondContact O-N 2.71Å; Q13-F15 PolarHBondContact O-N 3.18Å
14T40.2Very low51.9Low114 Ų114101.9 Ų101.970%0.69956%0.555SS**  trans-72.5108.2164.741.10000108.3E16T14-E16 VanDerWaalsContact C-N 3.29Å; T14-E16 PolarHBondContact O-N 2.92Å
15F50.8Low55.2Low38 Ų38100.5 Ų100.517%0.16755%0.548CS..  trans-67.791.6166-72.8-86.6000108.4Q13 S17 K80 H83 M91 K92 Y94Q13-F15 PolarHBondContact O-N 3.18Å; F15-S17 PolarHBondContact O-N 3.36Å; F15-K80 HydrophobicContact CD2-CG 4.47Å; F15-K80 HydrophobicContact CE2-CG 4.16Å; F15-H83 AromaticContact CE2-CE1 3.51Å; F15-H83 AromaticContact CZ-CE1 3.47Å; F15-H83 VanDerWaalsContact CZ-CE1 3.47Å; F15-H83 WeakPolarHBondContact CZ-CE1 3.44Å; F15-H83 AromaticContact CZ-NE2 3.96Å; F15-M91 HydrophobicContact CD1-CE 4.2Å; F15-M91 HydrophobicContact CE1-CE 3.47Å; F15-M91 VanDerWaalsContact CE1-CE 3.47Å; F15-M91 HydrophobicContact CE1-CG 4.12Å; F15-M91 HydrophobicContact CE2-CE 4.13Å; F15-M91 HydrophobicContact CZ-CB 4.28Å; F15-M91 HydrophobicContact CZ-CE 3.41Å; F15-M91 VanDerWaalsContact CZ-CE 3.41Å; F15-M91 HydrophobicContact CZ-CG 4.25Å; F15-M91 VanDerWaalsContact CZ-O 3.26Å; F15-M91 WeakPolarHBondContact CZ-O 3.42Å; F15-K92 VanDerWaalsContact CE1-O 3.31Å; F15-K92 WeakPolarHBondContact CE1-O 3.47Å; F15-Y94 HydrophobicContact CD1-CD1 4.2Å; F15-Y94 HydrophobicContact CD1-CE1 4.36Å
16E46.8Very low58.3Low143 Ų14398.3 Ų98.367%0.66854%0.538SS*.  trans-76.2110.5177.7-80.5-168.8151.600110.4T14 H19T14-E16 VanDerWaalsContact C-N 3.29Å; T14-E16 PolarHBondContact O-N 2.92Å; E16-H19 PolarHBondContact O-CE1 3.27Å; E16-H19 PolarHBondContact O-NE2 3.23Å
17S56.6Low61.7Low78 Ų7892.6 Ų92.655%0.54551%0.512SS..SBendtrans64.6145.9164.872.40000117.1F15 H19F15-S17 PolarHBondContact O-N 3.36Å; S17-H19 PolarHBondContact O-N 3.02Å; S17-H19 PolarHBondContact OG-CE1 3.19Å; S17-H19 VanDerWaalsContact OG-CE1 3.24Å; S17-H19 PolarHBondContact OG-ND1 3.25Å
18V67.4Low65.1Low85 Ų8588.4 Ų88.452%0.51548%0.483SS..  trans-66.2106.9169.51770000107.8Y94 V96V18-Y94 HydrophobicContact CG2-CE2 4.18Å; V18-V96 HydrophobicContact CG1-CB 3.56Å; V18-V96 HydrophobicContact CG1-CG1 4.44Å; V18-V96 HydrophobicContact CG1-CG2 3.59Å
19H79.6Confident68.4Low27 Ų2792.7 Ų92.713%0.12548%0.481CS..BIsolated β-bridgetrans-78.9144.2176.6-64.5-41.1000110.9E16 S17 K23 D93 Y95 V96E16-H19 PolarHBondContact O-CE1 3.27Å; E16-H19 PolarHBondContact O-NE2 3.23Å; S17-H19 PolarHBondContact O-N 3.02Å; S17-H19 PolarHBondContact OG-CE1 3.19Å; S17-H19 VanDerWaalsContact OG-CE1 3.24Å; S17-H19 PolarHBondContact OG-ND1 3.25Å; H19-K23 HydrophobicContact CB-CD 4.17Å; H19-K23 PolarHBondContact CE1-NZ 3.12Å; H19-K23 VanDerWaalsContact CE1-NZ 3.27Å; H19-K23 PolarHBondContact NE2-NZ 3.02Å; H19-K23 VanDerWaalsContact NE2-NZ 3.18Å; H19-D93 IonicContact CD2-OD1 3.18Å; H19-D93 PolarHBondContact CD2-OD1 3.23Å; H19-D93 IonicContact CD2-OD2 2.74Å; H19-D93 PolarHBondContact CD2-OD2 3.25Å; H19-D93 IonicContact NE2-OD2 3.4Å; H19-D93 PolarHBondContact NE2-OD2 3.38Å; H19-Y95 HydrophobicContact CB-CD1 3.42Å; H19-Y95 VanDerWaalsContact CB-CD1 3.42Å; H19-Y95 HydrophobicContact CB-CE1 3.78Å; H19-Y95 HydrophobicContact CB-CG 4.25Å; H19-Y95 CarbonylContact O-C 3.6Å; H19-Y95 WeakPolarHBondContact O-CA 3.46Å; H19-V96 PolarHBondContact O-N 3.46Å
20K86.4Confident71.6Confident149 Ų14986 Ų8665%0.64846%0.459SS*.  trans-78.1149.8172.4-55.3-171.5169.8-173.30110.9E22 K23 V96K20-E22 WeakPolarHBondContact CB-OE2 3.24Å; K20-E22 PolarHBondContact O-N 3.25Å; K20-E22 VanDerWaalsContact O-N 3.16Å; K20-K23 WeakPolarHBondContact O-CB 3.19Å; K20-K23 PolarHBondContact O-N 3.13Å; K20-V96 WeakPolarHBondContact CA-O 3.48Å
21T87.4Confident74.7Confident12 Ų1286.4 Ų86.47%0.07446%0.456CS..Hα-helixtrans-59.4-23.4177.2370000114.2K23 F24 I25 G97 E100 V102T21-K23 PolarHBondContact O-N 3.3Å; T21-F24 WeakPolarHBondContact O-CB 3.43Å; T21-F24 PolarHBondContact O-N 3.32Å; T21-I25 WeakPolarHBondContact O-CG1 3.22Å; T21-I25 PolarHBondContact O-N 2.91Å; T21-G97 WeakPolarHBondContact OG1-CA 3.21Å; T21-E100 HydrophobicContact CG2-CG 4.2Å; T21-V102 HydrophobicContact CG2-CG2 4.13Å
22E88.8Confident77.5Confident115 Ų11581.7 Ų81.754%0.53743%0.433SS..Hα-helixtrans-61-35173.1-63.680.2-174.700112K20 I25 S26K20-E22 WeakPolarHBondContact CB-OE2 3.24Å; K20-E22 PolarHBondContact O-N 3.25Å; K20-E22 VanDerWaalsContact O-N 3.16Å; E22-I25 PolarHBondContact O-N 3.24Å; E22-S26 PolarHBondContact O-N 2.88Å; E22-S26 PolarHBondContact O-OG 3.08Å
23K92.4Very high80.5Confident70 Ų7081.5 Ų81.530%0.30441%0.409SS..Hα-helixtrans-63.4-46.7175.6-174.8-176.8170.1-165.40110.6H19 K20 T21 I25 S26 E27 Y95H19-K23 HydrophobicContact CB-CD 4.17Å; H19-K23 PolarHBondContact CE1-NZ 3.12Å; H19-K23 VanDerWaalsContact CE1-NZ 3.27Å; H19-K23 PolarHBondContact NE2-NZ 3.02Å; H19-K23 VanDerWaalsContact NE2-NZ 3.18Å; K20-K23 WeakPolarHBondContact O-CB 3.19Å; K20-K23 PolarHBondContact O-N 3.13Å; T21-K23 PolarHBondContact O-N 3.3Å; K23-I25 VanDerWaalsContact C-N 3.33Å; K23-I25 PolarHBondContact O-N 3.46Å; K23-S26 WeakPolarHBondContact CA-OG 3.47Å; K23-S26 PolarHBondContact O-N 3.08Å; K23-S26 VanDerWaalsContact O-N 3.13Å; K23-S26 PolarHBondContact O-OG 2.83Å; K23-E27 VanDerWaalsContact CE-CD 3.42Å; K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 VanDerWaalsContact CE-OE2 3.24Å; K23-E27 WeakPolarHBondContact CE-OE2 3.45Å; K23-E27 HydrophobicContact CG-CG 4.4Å; K23-E27 WeakPolarHBondContact CG-OE1 3.49Å; K23-E27 WeakPolarHBondContact O-CB 3.39Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 3.47Å; K23-Y95 HydrophobicContact CB-CD1 4.35Å; K23-Y95 HydrophobicContact CB-CE1 4.22Å; K23-Y95 HydrophobicContact CD-CE1 4.18Å; K23-Y95 HydrophobicContact CG-CE1 4.17Å
24F94.3Very high83Confident5 Ų580.7 Ų80.72%0.02241%0.408CS..Hα-helixtrans-56.6-46.2174.9170-102.1000112.1T21 S26 E27 Y28 V45 A56 Y95 V102T21-F24 WeakPolarHBondContact O-CB 3.43Å; T21-F24 PolarHBondContact O-N 3.32Å; F24-S26 VanDerWaalsContact C-N 3.27Å; F24-S26 PolarHBondContact O-N 3.29Å; F24-E27 PolarHBondContact O-N 3.12Å; F24-Y28 AromaticContact CD2-CD2 3.68Å; F24-Y28 HydrophobicContact CD2-CD2 3.68Å; F24-Y28 HydrophobicContact CD2-CE2 4.42Å; F24-Y28 HydrophobicContact CD2-CG 4Å; F24-Y28 HydrophobicContact CE2-CD2 4.12Å; F24-Y28 AromaticContact CE2-CG 3.97Å; F24-Y28 HydrophobicContact CE2-CG 3.97Å; F24-Y28 WeakPolarHBondContact O-CB 3.11Å; F24-Y28 PolarHBondContact O-N 3.14Å; F24-V45 HydrophobicContact CE2-CG1 4.43Å; F24-V45 HydrophobicContact CE2-CG2 4.49Å; F24-V45 HydrophobicContact CZ-CG1 4.03Å; F24-A56 HydrophobicContact CE2-CB 4.14Å; F24-A56 HydrophobicContact CZ-CB 3.91Å; F24-Y95 HydrophobicContact CB-CD1 3.6Å; F24-Y95 HydrophobicContact CB-CD2 3.86Å; F24-Y95 HydrophobicContact CB-CE1 3.89Å; F24-Y95 HydrophobicContact CB-CE2 4.17Å; F24-Y95 HydrophobicContact CB-CG 3.59Å; F24-Y95 HydrophobicContact CD2-CD2 4.02Å; F24-Y95 AromaticContact CD2-CE2 3.97Å; F24-Y95 HydrophobicContact CD2-CE2 3.97Å; F24-Y95 HydrophobicContact CG-CD2 4.25Å; F24-Y95 HydrophobicContact CG-CG 4.41Å; F24-V102 HydrophobicContact CD1-CG1 4.45Å; F24-V102 HydrophobicContact CD1-CG2 4.07Å; F24-V102 HydrophobicContact CD2-CG1 4.05Å; F24-V102 HydrophobicContact CE1-CG1 4.2Å; F24-V102 HydrophobicContact CE1-CG2 4.15Å; F24-V102 HydrophobicContact CE2-CG1 3.78Å; F24-V102 HydrophobicContact CG-CG1 4.37Å; F24-V102 HydrophobicContact CG-CG2 4.46Å; F24-V102 HydrophobicContact CZ-CG1 3.85Å
25I93.8Very high85.3Confident114 Ų11476.6 Ų76.659%0.58539%0.388SS*.Hα-helixtrans-63.2-34.7179-65.2166000111.5T21 E22 K23T21-I25 WeakPolarHBondContact O-CG1 3.22Å; T21-I25 PolarHBondContact O-N 2.91Å; E22-I25 PolarHBondContact O-N 3.24Å; K23-I25 VanDerWaalsContact C-N 3.33Å; K23-I25 PolarHBondContact O-N 3.46Å
26S94.7Very high87.2Confident84 Ų8482.4 Ų82.459%0.58741%0.409SS*.Hα-helixtrans-75.4-31.2177.359.70000114E22 K23 F24E22-S26 PolarHBondContact O-N 2.88Å; E22-S26 PolarHBondContact O-OG 3.08Å; K23-S26 WeakPolarHBondContact CA-OG 3.47Å; K23-S26 PolarHBondContact O-N 3.08Å; K23-S26 VanDerWaalsContact O-N 3.13Å; K23-S26 PolarHBondContact O-OG 2.83Å; F24-S26 VanDerWaalsContact C-N 3.27Å; F24-S26 PolarHBondContact O-N 3.29Å
27E95.9Very high89Confident58 Ų5878 Ų7827%0.27140%0.402SS..Hα-helixtrans-97.7-21.1-171.8-70.8174.917800113.3K23 F24 H47 C48K23-E27 VanDerWaalsContact CE-CD 3.42Å; K23-E27 WeakPolarHBondContact CE-OE1 3.38Å; K23-E27 VanDerWaalsContact CE-OE2 3.24Å; K23-E27 WeakPolarHBondContact CE-OE2 3.45Å; K23-E27 HydrophobicContact CG-CG 4.4Å; K23-E27 WeakPolarHBondContact CG-OE1 3.49Å; K23-E27 WeakPolarHBondContact O-CB 3.39Å; K23-E27 WeakPolarHBondContact O-CG 3.26Å; K23-E27 PolarHBondContact O-N 3.47Å; F24-E27 PolarHBondContact O-N 3.12Å; E27-H47 PolarHBondContact O-CD2 3.43Å; E27-H47 VanDerWaalsContact O-CD2 3.25Å; E27-C48 WeakPolarHBondContact O-CB 3.48Å; E27-C48 PolarHBondContact O-N 3.06Å; E27-C48 PolarHBondContact O-SG 2.84Å; E27-C48 VanDerWaalsContact O-SG 3.38Å
28Y97.5Very high90.4Very high31 Ų3183.9 Ų83.912%0.12241%0.412CS..EExtended strand (participates in β ladder)trans-126.9138.1-173.8-64.4-94.3000112.8F24 V45 R46 H47 Y95 L104F24-Y28 AromaticContact CD2-CD2 3.68Å; F24-Y28 HydrophobicContact CD2-CD2 3.68Å; F24-Y28 HydrophobicContact CD2-CE2 4.42Å; F24-Y28 HydrophobicContact CD2-CG 4Å; F24-Y28 HydrophobicContact CE2-CD2 4.12Å; F24-Y28 AromaticContact CE2-CG 3.97Å; F24-Y28 HydrophobicContact CE2-CG 3.97Å; F24-Y28 WeakPolarHBondContact O-CB 3.11Å; F24-Y28 PolarHBondContact O-N 3.14Å; Y28-V45 HydrophobicContact CD1-CB 4.39Å; Y28-V45 HydrophobicContact CD1-CG2 3.96Å; Y28-R46 WeakPolarHBondContact CA-O 3.22Å; Y28-H47 HydrophobicContact CD1-CB 3.97Å; Y28-H47 HydrophobicContact CE1-CB 3.59Å; Y28-H47 AromaticContact CE1-CD2 3.8Å; Y28-H47 AromaticContact CE2-CD2 3.9Å; Y28-H47 AromaticContact CZ-CD2 3.56Å; Y28-Y95 WeakPolarHBondContact CE2-OH 3.36Å; Y28-L104 HydrophobicContact CD1-CD1 4.29Å; Y28-L104 HydrophobicContact CE1-CD1 3.97Å; Y28-L104 HydrophobicContact CE1-CD2 3.84Å; Y28-L104 HydrophobicContact CE2-CD2 4.24Å; Y28-L104 WeakPolarHBondContact OH-CD2 3.21Å
29R97.5Very high91.5Very high174 Ų17482.9 Ų82.966%0.65740%0.401SS*.EExtended strand (participates in β ladder)trans-99.1126.5168.9-175.6-176.8-60.6-1772.1109.6V45 R46R29-V45 CarbonylContact O-C 3.54Å; R29-V45 VanDerWaalsContact O-CA 3.26Å; R29-V45 WeakPolarHBondContact O-CA 3.5Å; R29-R46 PolarHBondContact N-O 3.04Å; R29-R46 PolarHBondContact O-N 3.29Å
30I96.7Very high92.3Very high80 Ų8082.7 Ų82.741%0.4140%0.404SS..EExtended strand (participates in β ladder)trans-73.1128.2170.2-59.3175.4000108.8V45 I58I30-V45 HydrophobicContact CG1-CG1 4.1Å; I30-I58 HydrophobicContact CD1-CD1 4.14Å
31E95.4Very high92.7Very high78 Ų7878.6 Ų78.636%0.36439%0.386SS..EExtended strand (participates in β ladder)trans-102.4-72179.7-60.1-166.214300110.9L44 R46E31-L44 HydrophobicContact CB-CB 4.49Å; E31-L44 PolarHBondContact N-O 3.27Å; E31-R46 HydrophobicContact CG-CB 4.28Å; E31-R46 IonicContact OE1-CZ 3.31Å; E31-R46 VanDerWaalsContact OE1-CZ 3.31Å; E31-R46 IonicContact OE1-NE 2.69Å; E31-R46 PolarHBondContact OE1-NE 3.28Å; E31-R46 IonicContact OE1-NH2 3.04Å; E31-R46 PolarHBondContact OE1-NH2 3.12Å; E31-R46 IonicContact OE2-CZ 3.97Å; E31-R46 IonicContact OE2-NE 3.96Å; E31-R46 IonicContact OE2-NH2 3.2Å; E31-R46 PolarHBondContact OE2-NH2 3.48Å
32T94.5Very high93.1Very high69 Ų6980 Ų8042%0.42339%0.394SS..EExtended strand (participates in β ladder)trans-132.1135.2-171.2-52.30000110.4S43 L44T32-S43 CarbonylContact O-C 3.42Å; T32-S43 WeakPolarHBondContact O-CA 3.33Å; T32-S43 WeakPolarHBondContact O-CB 3.23Å; T32-L44 PolarHBondContact O-N 2.99Å
33E94.9Very high93.5Very high81 Ų8174.5 Ų74.538%0.37937%0.369SS..EExtended strand (participates in β ladder)trans-76.2122.5168.6-173.3170.3127.400109.6R36E33-R36 VanDerWaalsContact CD-NH2 3.29Å; E33-R36 IonicContact OE1-CZ 2.91Å; E33-R36 VanDerWaalsContact OE1-CZ 3.31Å; E33-R36 IonicContact OE1-NE 2.7Å; E33-R36 PolarHBondContact OE1-NE 2.72Å; E33-R36 IonicContact OE1-NH2 3.16Å; E33-R36 PolarHBondContact OE1-NH2 3.47Å; E33-R36 VanDerWaalsContact OE1-NH2 3.08Å; E33-R36 IonicContact OE2-CZ 3.65Å; E33-R36 IonicContact OE2-NE 3.17Å; E33-R36 IonicContact OE2-NH2 3.43Å; E33-R36 PolarHBondContact OE2-NH2 3.21Å
34I91.4Very high93.8Very high90 Ų9072.3 Ų72.346%0.46236%0.36SS..EExtended strand (participates in β ladder)trans-107.5-11.5-177.756.5171.6000112.8V42 L44 A55I34-V42 HydrophobicContact CD1-CG1 3.77Å; I34-V42 HydrophobicContact CG1-CB 4.04Å; I34-V42 HydrophobicContact CG1-CG1 3.74Å; I34-V42 WeakPolarHBondContact CG1-O 3.38Å; I34-V42 PolarHBondContact N-O 3.35Å; I34-L44 HydrophobicContact CD1-CD2 4.04Å; I34-L44 HydrophobicContact CD1-CG 4.29Å; I34-L44 HydrophobicContact CG2-CD1 4.05Å; I34-L44 HydrophobicContact CG2-CG 3.75Å; I34-A55 HydrophobicContact CD1-CB 4.46Å
35G88.2Confident94Very high28 Ų2872 Ų7229%0.28936%0.359SS..EExtended strand (participates in β ladder)trans-167.9152.5175.900000112.4K41 V42G35-K41 CarbonylContact O-C 3.56Å; G35-K41 WeakPolarHBondContact O-CA 3.49Å; G35-V42 PolarHBondContact N-O 2.89Å; G35-V42 VanDerWaalsContact N-O 3.17Å; G35-V42 PolarHBondContact O-N 2.69Å
36R90.9Very high94.2Very high160 Ų16071 Ų7160%0.60435%0.348SS*.EExtended strand (participates in β ladder)trans-141.6118.2176.7-177.6175.5-70-118.31.5111E33E33-R36 VanDerWaalsContact CD-NH2 3.29Å; E33-R36 IonicContact OE1-CZ 2.91Å; E33-R36 VanDerWaalsContact OE1-CZ 3.31Å; E33-R36 IonicContact OE1-NE 2.7Å; E33-R36 PolarHBondContact OE1-NE 2.72Å; E33-R36 IonicContact OE1-NH2 3.16Å; E33-R36 PolarHBondContact OE1-NH2 3.47Å; E33-R36 VanDerWaalsContact OE1-NH2 3.08Å; E33-R36 IonicContact OE2-CZ 3.65Å; E33-R36 IonicContact OE2-NE 3.17Å; E33-R36 IonicContact OE2-NH2 3.43Å; E33-R36 PolarHBondContact OE2-NH2 3.21Å
37G86Confident94.3Very high50 Ų5068.6 Ų68.652%0.51533%0.327SS..  trans-99.4-173.7168.600000112.4F39 A40G37-F39 PolarHBondContact O-N 3.38Å; G37-A40 CarbonylContact C-O 3.57Å; G37-A40 WeakPolarHBondContact CA-O 3.46Å; G37-A40 PolarHBondContact N-O 2.98Å
38R85.8Confident94.3Very high201 Ų20169.5 Ų69.576%0.75834%0.339SS*.SBendtrans-63.3-38.6-179-175176.5176.4-175.1-0.3113.7
39F90.5Very high94.3Very high65 Ų6576.5 Ų76.529%0.28537%0.373SS..SBendtrans-123.9-3.3-174-54.4-63.2000113.7G37 R60 R63G37-F39 PolarHBondContact O-N 3.38Å; F39-R60 PolarHBondContact O-N 2.61Å; F39-R63 HydrophobicContact CD1-CG 3.96Å; F39-R63 HydrophobicContact CE1-CB 4.37Å; F39-R63 HydrophobicContact CE1-CG 4.23Å; F39-R63 HydrophobicContact CG-CG 4.38Å
40A94.9Very high94.2Very high22 Ų2271.8 Ų71.818%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-138.7151.4-177.600000110.1G37 K57 I58 I59G37-A40 CarbonylContact C-O 3.57Å; G37-A40 WeakPolarHBondContact CA-O 3.46Å; G37-A40 PolarHBondContact N-O 2.98Å; A40-K57 HydrophobicContact CB-CG 4.28Å; A40-I58 CarbonylContact C-O 3.59Å; A40-I58 WeakPolarHBondContact CA-O 3.09Å; A40-I59 HydrophobicContact CB-CB 4.43Å; A40-I59 HydrophobicContact CB-CG1 3.97Å
41K95.7Very high94.2Very high63 Ų6369.3 Ų69.327%0.27436%0.361SS..EExtended strand (participates in β ladder)trans-122.4150.5163.465.3177-171171.40108.7G35 I58G35-K41 CarbonylContact O-C 3.56Å; G35-K41 WeakPolarHBondContact O-CA 3.49Å; K41-I58 HydrophobicContact CG-CB 4.06Å; K41-I58 PolarHBondContact N-O 2.68Å; K41-I58 PolarHBondContact O-N 3.18Å
42V96.3Very high94.3Very high41 Ų4170.3 Ų70.325%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-115.3127.8176.6-169.40000107.4I34 G35 A55 A56 K57I34-V42 HydrophobicContact CD1-CG1 3.77Å; I34-V42 HydrophobicContact CG1-CB 4.04Å; I34-V42 HydrophobicContact CG1-CG1 3.74Å; I34-V42 WeakPolarHBondContact CG1-O 3.38Å; I34-V42 PolarHBondContact N-O 3.35Å; G35-V42 PolarHBondContact N-O 2.89Å; G35-V42 VanDerWaalsContact N-O 3.17Å; G35-V42 PolarHBondContact O-N 2.69Å; V42-A55 HydrophobicContact CG1-CB 4.35Å; V42-A56 WeakPolarHBondContact CA-O 3.46Å; V42-K57 HydrophobicContact CG2-CB 4.37Å; V42-K57 HydrophobicContact CG2-CG 4.21Å
43S97Very high94.4Very high1 Ų168.7 Ų68.71%0.00736%0.356CS..EExtended strand (participates in β ladder)trans-133.6144.6178.8-520000110.6T32 A55 A56T32-S43 CarbonylContact O-C 3.42Å; T32-S43 WeakPolarHBondContact O-CA 3.33Å; T32-S43 WeakPolarHBondContact O-CB 3.23Å; S43-A55 CarbonylContact O-C 3.49Å; S43-A56 PolarHBondContact N-O 3.37Å; S43-A56 PolarHBondContact O-N 3.16Å
44L97.6Very high94.5Very high23 Ų2364.9 Ų64.912%0.1234%0.338CS..EExtended strand (participates in β ladder)trans-66.4135.9163.8-66.5177.9000109.1E31 T32 I34 V53 S54 N107E31-L44 HydrophobicContact CB-CB 4.49Å; E31-L44 PolarHBondContact N-O 3.27Å; T32-L44 PolarHBondContact O-N 2.99Å; I34-L44 HydrophobicContact CD1-CD2 4.04Å; I34-L44 HydrophobicContact CD1-CG 4.29Å; I34-L44 HydrophobicContact CG2-CD1 4.05Å; I34-L44 HydrophobicContact CG2-CG 3.75Å; L44-V53 HydrophobicContact CB-CG1 4.44Å; L44-V53 HydrophobicContact CD2-CG1 4.24Å; L44-S54 WeakPolarHBondContact CA-O 3.43Å; L44-N107 WeakPolarHBondContact CD2-OD1 3.42Å
45V98.1Very high94.8Very high0 Ų061 Ų610%032%0.32CS..EExtended strand (participates in β ladder)trans-132.4141.9179-59.50000109.9F24 Y28 R29 I30 V53 S54 A56 L104F24-V45 HydrophobicContact CE2-CG1 4.43Å; F24-V45 HydrophobicContact CE2-CG2 4.49Å; F24-V45 HydrophobicContact CZ-CG1 4.03Å; Y28-V45 HydrophobicContact CD1-CB 4.39Å; Y28-V45 HydrophobicContact CD1-CG2 3.96Å; R29-V45 CarbonylContact O-C 3.54Å; R29-V45 VanDerWaalsContact O-CA 3.26Å; R29-V45 WeakPolarHBondContact O-CA 3.5Å; I30-V45 HydrophobicContact CG1-CG1 4.1Å; V45-V53 CarbonylContact O-C 3.58Å; V45-V53 WeakPolarHBondContact O-CA 3.09Å; V45-S54 PolarHBondContact N-O 3.01Å; V45-S54 PolarHBondContact O-N 3.45Å; V45-A56 HydrophobicContact CB-CB 4.4Å; V45-A56 HydrophobicContact CG1-CB 3.48Å; V45-A56 VanDerWaalsContact CG1-CB 3.48Å; V45-A56 HydrophobicContact CG2-CB 3.96Å; V45-L104 HydrophobicContact CG2-CD1 3.62Å
46R98.1Very high95.3Very high93 Ų9359.7 Ų59.735%0.35131%0.306SS..EExtended strand (participates in β ladder)trans-109.7126.7175.8-173.8175-56.2-84.6-7.1110.1Y28 R29 E31 C48 G51 E52 V53Y28-R46 WeakPolarHBondContact CA-O 3.22Å; R29-R46 PolarHBondContact N-O 3.04Å; R29-R46 PolarHBondContact O-N 3.29Å; E31-R46 HydrophobicContact CG-CB 4.28Å; E31-R46 IonicContact OE1-CZ 3.31Å; E31-R46 VanDerWaalsContact OE1-CZ 3.31Å; E31-R46 IonicContact OE1-NE 2.69Å; E31-R46 PolarHBondContact OE1-NE 3.28Å; E31-R46 IonicContact OE1-NH2 3.04Å; E31-R46 PolarHBondContact OE1-NH2 3.12Å; E31-R46 IonicContact OE2-CZ 3.97Å; E31-R46 IonicContact OE2-NE 3.96Å; E31-R46 IonicContact OE2-NH2 3.2Å; E31-R46 PolarHBondContact OE2-NH2 3.48Å; R46-C48 PolarHBondContact O-N 3.04Å; R46-G51 WeakPolarHBondContact CG-O 3.45Å; R46-G51 PolarHBondContact NH1-O 3.29Å; R46-E52 WeakPolarHBondContact CA-O 3.4Å; R46-V53 VanDerWaalsContact CZ-CG2 3.44Å; R46-V53 VanDerWaalsContact NH1-CG2 3.34Å; R46-V53 VanDerWaalsContact NH2-CG2 3.34Å
47H97.6Very high95.5Very high33 Ų3352.9 Ų52.915%0.15328%0.281CS..EExtended strand (participates in β ladder)trans-67.1122.9170.3-174.4-124000109.4E27 Y28 E49 S50 G51 E52E27-H47 PolarHBondContact O-CD2 3.43Å; E27-H47 VanDerWaalsContact O-CD2 3.25Å; Y28-H47 HydrophobicContact CD1-CB 3.97Å; Y28-H47 HydrophobicContact CE1-CB 3.59Å; Y28-H47 AromaticContact CE1-CD2 3.8Å; Y28-H47 AromaticContact CE2-CD2 3.9Å; Y28-H47 AromaticContact CZ-CD2 3.56Å; H47-E49 VanDerWaalsContact C-N 3.31Å; H47-E49 PolarHBondContact O-N 2.91Å; H47-S50 WeakPolarHBondContact CB-OG 3.26Å; H47-S50 WeakPolarHBondContact ND1-CB 3.49Å; H47-S50 PolarHBondContact ND1-N 3.32Å; H47-S50 PolarHBondContact ND1-OG 2.89Å; H47-G51 VanDerWaalsContact O-CA 3.29Å; H47-G51 WeakPolarHBondContact O-CA 3.24Å; H47-G51 PolarHBondContact O-N 3.27Å; H47-E52 PolarHBondContact N-O 2.94Å
48C96.7Very high96.1Very high77 Ų7751 Ų5152%0.5226%0.258SS..THydrogen-bonded Turntrans-61.2-35.6-168.6-71.90000113.4E27 R46E27-C48 WeakPolarHBondContact O-CB 3.48Å; E27-C48 PolarHBondContact O-N 3.06Å; E27-C48 PolarHBondContact O-SG 2.84Å; E27-C48 VanDerWaalsContact O-SG 3.38Å; R46-C48 PolarHBondContact O-N 3.04Å
49E96.1Very high96.6Very high178 Ų17841.5 Ų41.583%0.83222%0.223SC*.THydrogen-bonded Turntrans-86-53.7-177.6-173.5175.8-168.900112.1H47H47-E49 VanDerWaalsContact C-N 3.31Å; H47-E49 PolarHBondContact O-N 2.91Å
50S96.2Very high96.8Very high75 Ų7545.6 Ų45.652%0.52424%0.236SC..THydrogen-bonded Turntrans-79.6-17.5-175.367.30000114.4H47 E52H47-S50 WeakPolarHBondContact CB-OG 3.26Å; H47-S50 WeakPolarHBondContact ND1-CB 3.49Å; H47-S50 PolarHBondContact ND1-N 3.32Å; H47-S50 PolarHBondContact ND1-OG 2.89Å; S50-E52 PolarHBondContact O-N 3.32Å; S50-E52 WeakPolarHBondContact OG-CB 3.24Å; S50-E52 PolarHBondContact OG-N 3.46Å
51G96.4Very high96.8Very high28 Ų2846.5 Ų46.529%0.28924%0.235SC..  trans70.81-17100000114.9R46 H47R46-G51 WeakPolarHBondContact CG-O 3.45Å; R46-G51 PolarHBondContact NH1-O 3.29Å; H47-G51 VanDerWaalsContact O-CA 3.29Å; H47-G51 WeakPolarHBondContact O-CA 3.24Å; H47-G51 PolarHBondContact O-N 3.27Å
52E96.6Very high96.8Very high98 Ų9849.8 Ų49.846%0.45825%0.246SC..  trans-62133.5179.4-171.9-176.3-176.500111.9R46 H47 S50 K92R46-E52 WeakPolarHBondContact CA-O 3.4Å; H47-E52 PolarHBondContact N-O 2.94Å; S50-E52 PolarHBondContact O-N 3.32Å; S50-E52 WeakPolarHBondContact OG-CB 3.24Å; S50-E52 PolarHBondContact OG-N 3.46Å; E52-K92 IonicContact OE1-NZ 3.19Å; E52-K92 PolarHBondContact OE1-NZ 3.15Å
53V97Very high96.6Very high36 Ų3650.5 Ų50.522%0.21824%0.244CC..EExtended strand (participates in β ladder)trans-95.2134.7176.7-174.50000110.2L44 V45 R46 N107L44-V53 HydrophobicContact CB-CG1 4.44Å; L44-V53 HydrophobicContact CD2-CG1 4.24Å; V45-V53 CarbonylContact O-C 3.58Å; V45-V53 WeakPolarHBondContact O-CA 3.09Å; R46-V53 VanDerWaalsContact CZ-CG2 3.44Å; R46-V53 VanDerWaalsContact NH1-CG2 3.34Å; R46-V53 VanDerWaalsContact NH2-CG2 3.34Å; V53-N107 WeakPolarHBondContact CG1-ND2 3.34Å
54S97.6Very high96.2Very high1 Ų156.4 Ų56.41%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-136.1168.7178.7-58.10000110L44 V45 K92 L105L44-S54 WeakPolarHBondContact CA-O 3.43Å; V45-S54 PolarHBondContact N-O 3.01Å; V45-S54 PolarHBondContact O-N 3.45Å; S54-K92 PolarHBondContact OG-NZ 3.08Å; S54-L105 WeakPolarHBondContact CB-O 3.47Å
55A97.8Very high95.8Very high9 Ų958.5 Ų58.57%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-100.1135.6168.100000109.5I34 V42 S43 L105I34-A55 HydrophobicContact CD1-CB 4.46Å; V42-A55 HydrophobicContact CG1-CB 4.35Å; S43-A55 CarbonylContact O-C 3.49Å; A55-L105 HydrophobicContact CB-CB 4.35Å; A55-L105 PolarHBondContact N-O 3.21Å; A55-L105 PolarHBondContact O-N 2.84Å
56A97.8Very high95.6Very high0 Ų065.9 Ų65.90%034%0.343CS..EExtended strand (participates in β ladder)trans-112.8112.4174.500000109.6F24 V42 S43 V45 I58 V102 L103F24-A56 HydrophobicContact CE2-CB 4.14Å; F24-A56 HydrophobicContact CZ-CB 3.91Å; V42-A56 WeakPolarHBondContact CA-O 3.46Å; S43-A56 PolarHBondContact N-O 3.37Å; S43-A56 PolarHBondContact O-N 3.16Å; V45-A56 HydrophobicContact CB-CB 4.4Å; V45-A56 HydrophobicContact CG1-CB 3.48Å; V45-A56 VanDerWaalsContact CG1-CB 3.48Å; V45-A56 HydrophobicContact CG2-CB 3.96Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 2.98Å; A56-V102 HydrophobicContact CB-CG1 3.92Å; A56-L103 WeakPolarHBondContact CA-O 3.16Å
57K96.9Very high95.4Very high17 Ų1764.7 Ų64.77%0.07434%0.344CS..EExtended strand (participates in β ladder)trans-87.2103.4169.3-175.3179-173.2178.80108.2A40 V42 I59 E75 V102 L103 L105 D173A40-K57 HydrophobicContact CB-CG 4.28Å; V42-K57 HydrophobicContact CG2-CB 4.37Å; V42-K57 HydrophobicContact CG2-CG 4.21Å; K57-I59 HydrophobicContact CD-CD1 4.2Å; K57-I59 HydrophobicContact CD-CG1 4.39Å; K57-I59 HydrophobicContact CG-CD1 4.23Å; K57-I59 HydrophobicContact CG-CG1 3.92Å; K57-E75 IonicContact NZ-OE1 3.21Å; K57-E75 PolarHBondContact NZ-OE1 3.28Å; K57-V102 WeakPolarHBondContact O-CA 3.27Å; K57-L103 HydrophobicContact CB-CB 4.29Å; K57-L103 PolarHBondContact N-O 3.39Å; K57-L103 PolarHBondContact O-N 2.88Å; K57-L105 HydrophobicContact CB-CD1 4.24Å; K57-D173 IonicContact NZ-OD1 3.87Å; K57-D173 PolarHBondContact NZ-OD1 3.18Å; K57-D173 IonicContact NZ-OD2 3.48Å; K57-D173 PolarHBondContact NZ-OD2 3.23Å; K57-D173 VanDerWaalsContact NZ-OD2 3.17Å
58I97Very high95.3Very high9 Ų964.2 Ų64.25%0.04634%0.343CS..EExtended strand (participates in β ladder)trans-95.9108-177-53.1-179.2000108.3I30 A40 K41 A56 E100 V102I30-I58 HydrophobicContact CD1-CD1 4.14Å; A40-I58 CarbonylContact C-O 3.59Å; A40-I58 WeakPolarHBondContact CA-O 3.09Å; K41-I58 HydrophobicContact CG-CB 4.06Å; K41-I58 PolarHBondContact N-O 2.68Å; K41-I58 PolarHBondContact O-N 3.18Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 2.98Å; I58-E100 HydrophobicContact CG2-CB 4.21Å; I58-E100 HydrophobicContact CG2-CG 4.28Å; I58-E100 VanDerWaalsContact CG2-OE2 3.31Å; I58-E100 WeakPolarHBondContact CG2-OE2 3.44Å; I58-V102 HydrophobicContact CG1-CG1 4.26Å; I58-V102 HydrophobicContact CG1-CG2 4.14Å; I58-V102 HydrophobicContact CG2-CG2 4.29Å
59I96.8Very high95.2Very high3 Ų362.4 Ų62.42%0.01533%0.328CS..EExtended strand (participates in β ladder)trans-107.3129.2-171.5-50.9173.9000109.7A40 K57 R61 I72 E100 V101 L103A40-I59 HydrophobicContact CB-CB 4.43Å; A40-I59 HydrophobicContact CB-CG1 3.97Å; K57-I59 HydrophobicContact CD-CD1 4.2Å; K57-I59 HydrophobicContact CD-CG1 4.39Å; K57-I59 HydrophobicContact CG-CD1 4.23Å; K57-I59 HydrophobicContact CG-CG1 3.92Å; I59-R61 PolarHBondContact O-N 2.97Å; I59-I72 HydrophobicContact CB-CD1 4.28Å; I59-I72 HydrophobicContact CD1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CD1 3.67Å; I59-I72 HydrophobicContact CG2-CG1 3.96Å; I59-E100 CarbonylContact O-C 3.49Å; I59-E100 WeakPolarHBondContact O-CA 3.11Å; I59-E100 WeakPolarHBondContact O-CB 3.33Å; I59-V101 PolarHBondContact N-O 3.49Å; I59-V101 PolarHBondContact O-N 2.93Å; I59-L103 HydrophobicContact CD1-CD1 3.82Å
60R95.9Very high95.1Very high151 Ų15157.9 Ų57.957%0.5732%0.321SS*.EExtended strand (participates in β ladder)trans-67.4123.7173.1-66-180178.7174.4-0.5110.3F39 R63F39-R60 PolarHBondContact O-N 2.61Å; R60-R63 PolarHBondContact O-NE 3.18Å
61R95Very high94.9Very high40 Ų4056.9 Ų56.915%0.15131%0.314CS..SBendtrans-69.9-38.6177.3179.5174.2172.3-175.1-5.2111.8I59 D67 T68 L69 G97 K99I59-R61 PolarHBondContact O-N 2.97Å; R61-D67 WeakPolarHBondContact CG-OD1 3.44Å; R61-D67 IonicContact CZ-OD1 2.67Å; R61-D67 IonicContact CZ-OD2 3.31Å; R61-D67 IonicContact NE-OD1 3.77Å; R61-D67 PolarHBondContact NE-OD1 3.31Å; R61-D67 IonicContact NE-OD2 3.08Å; R61-D67 PolarHBondContact NE-OD2 2.81Å; R61-D67 IonicContact NH2-OD1 2.71Å; R61-D67 IonicContact NH2-OD2 3.6Å; R61-D67 PolarHBondContact NH2-OD2 3.5Å; R61-T68 WeakPolarHBondContact O-CB 3.42Å; R61-T68 PolarHBondContact O-N 2.75Å; R61-T68 PolarHBondContact O-OG1 3.07Å; R61-L69 HydrophobicContact CG-CB 4.31Å; R61-G97 WeakPolarHBondContact CD-O 3.32Å; R61-G97 PolarHBondContact NH1-O 2.99Å; R61-G97 VanDerWaalsContact NH1-O 3.14Å; R61-K99 WeakPolarHBondContact CB-O 3.49Å; R61-K99 PolarHBondContact N-O 3.3Å
62W94.7Very high94.9Very high132 Ų13255.5 Ų55.550%0.530%0.3SS..EExtended strand (participates in β ladder)trans-97.2125.4-178-62.492.3000111.5K66 D67 D98W62-K66 WeakPolarHBondContact CA-O 3.36Å; W62-D67 HydrophobicContact CE3-CB 4.16Å; W62-D67 HydrophobicContact CH2-CB 3.88Å; W62-D67 HydrophobicContact CZ2-CB 4.39Å; W62-D67 HydrophobicContact CZ3-CB 3.76Å; W62-D98 PolarHBondContact NE1-O 3.42Å
63R92.1Very high94.8Very high56 Ų5653 Ų5321%0.21129%0.289CS..EExtended strand (participates in β ladder)trans-131.7118.6177.5-53.7-176.9-161.61621.1109.2F39 R60 G65 K66 T68F39-R63 HydrophobicContact CD1-CG 3.96Å; F39-R63 HydrophobicContact CE1-CB 4.37Å; F39-R63 HydrophobicContact CE1-CG 4.23Å; F39-R63 HydrophobicContact CG-CG 4.38Å; R60-R63 PolarHBondContact O-NE 3.18Å; R63-G65 PolarHBondContact O-N 2.87Å; R63-K66 PolarHBondContact N-O 2.94Å; R63-K66 WeakPolarHBondContact O-CB 3.23Å; R63-K66 PolarHBondContact O-N 3.01Å; R63-T68 HydrophobicContact CB-CG2 3.87Å; R63-T68 HydrophobicContact CG-CG2 3.78Å; R63-T68 PolarHBondContact NE-OG1 3.07Å
64C89.1Confident94.6Very high126 Ų12655.1 Ų55.185%0.85130%0.296SS*.THydrogen-bonded Turntrans4942.6-177.5-590000113K66C64-K66 PolarHBondContact O-N 3.11Å
65G89.6Confident94.5Very high66 Ų6655.8 Ų55.868%0.6830%0.299SS*.THydrogen-bonded Turntrans76.4-1.4-179.100000115.8R63R63-G65 PolarHBondContact O-N 2.87Å
66K93.3Very high94.4Very high155 Ų15555.3 Ų55.367%0.67430%0.296SS*.EExtended strand (participates in β ladder)trans-97.4135.6177.6-61.4-177.5179.7-179.90110.8W62 R63 C64 T68W62-K66 WeakPolarHBondContact CA-O 3.36Å; R63-K66 PolarHBondContact N-O 2.94Å; R63-K66 WeakPolarHBondContact O-CB 3.23Å; R63-K66 PolarHBondContact O-N 3.01Å; C64-K66 PolarHBondContact O-N 3.11Å; K66-T68 PolarHBondContact O-N 3.37Å
67D93.5Very high94.2Very high69 Ų6959 Ų5937%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-71.6120167.7-170.9-5.4000108.8R61 W62 L69R61-D67 WeakPolarHBondContact CG-OD1 3.44Å; R61-D67 IonicContact CZ-OD1 2.67Å; R61-D67 IonicContact CZ-OD2 3.31Å; R61-D67 IonicContact NE-OD1 3.77Å; R61-D67 PolarHBondContact NE-OD1 3.31Å; R61-D67 IonicContact NE-OD2 3.08Å; R61-D67 PolarHBondContact NE-OD2 2.81Å; R61-D67 IonicContact NH2-OD1 2.71Å; R61-D67 IonicContact NH2-OD2 3.6Å; R61-D67 PolarHBondContact NH2-OD2 3.5Å; W62-D67 HydrophobicContact CE3-CB 4.16Å; W62-D67 HydrophobicContact CH2-CB 3.88Å; W62-D67 HydrophobicContact CZ2-CB 4.39Å; W62-D67 HydrophobicContact CZ3-CB 3.76Å; D67-L69 VanDerWaalsContact OD1-CB 3.24Å; D67-L69 WeakPolarHBondContact OD1-CB 3.45Å; D67-L69 PolarHBondContact OD1-N 3.04Å
68T95Very high94.1Very high23 Ų2358.9 Ų58.914%0.14132%0.315CS..  trans-105.611.4-178.963.60000113.1R61 R63 K66 A70 S71 I72R61-T68 WeakPolarHBondContact O-CB 3.42Å; R61-T68 PolarHBondContact O-N 2.75Å; R61-T68 PolarHBondContact O-OG1 3.07Å; R63-T68 HydrophobicContact CB-CG2 3.87Å; R63-T68 HydrophobicContact CG-CG2 3.78Å; R63-T68 PolarHBondContact NE-OG1 3.07Å; K66-T68 PolarHBondContact O-N 3.37Å; T68-A70 PolarHBondContact O-N 2.7Å; T68-A70 VanDerWaalsContact O-N 3.15Å; T68-S71 PolarHBondContact O-N 3Å; T68-I72 PolarHBondContact O-N 2.88Å; T68-I72 VanDerWaalsContact O-N 3.11Å
69L95.2Very high94Very high39 Ų3958.6 Ų58.620%0.20431%0.314CS..Hα-helixtrans-50.7-41.7-179.6-179.260.5000112.7R61 D67 S71 I72 M73 V96 V101R61-L69 HydrophobicContact CG-CB 4.31Å; D67-L69 VanDerWaalsContact OD1-CB 3.24Å; D67-L69 WeakPolarHBondContact OD1-CB 3.45Å; D67-L69 PolarHBondContact OD1-N 3.04Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.37Å; L69-I72 PolarHBondContact O-N 2.71Å; L69-I72 VanDerWaalsContact O-N 3.15Å; L69-M73 HydrophobicContact CD1-CG 4.03Å; L69-M73 HydrophobicContact CD1-SD 4.32Å; L69-M73 HydrophobicContact CG-CG 4.18Å; L69-M73 WeakPolarHBondContact O-CB 3.44Å; L69-M73 VanDerWaalsContact O-CG 3.3Å; L69-M73 WeakPolarHBondContact O-CG 3.43Å; L69-M73 PolarHBondContact O-N 2.98Å; L69-V96 HydrophobicContact CD1-CG1 3.74Å; L69-V96 HydrophobicContact CD1-CG2 4.39Å; L69-V96 HydrophobicContact CD2-CG1 4.29Å; L69-V101 HydrophobicContact CD1-CG2 3.82Å
70A93.9Very high93.9Very high82 Ų8260.9 Ų60.968%0.67832%0.324SS*.Hα-helixtrans-59.7-40.8178.700000113.1T68 M73 Q74T68-A70 PolarHBondContact O-N 2.7Å; T68-A70 VanDerWaalsContact O-N 3.15Å; A70-M73 PolarHBondContact O-N 3.11Å; A70-Q74 PolarHBondContact O-N 2.78Å
71S92.8Very high93.8Very high54 Ų5456.4 Ų56.438%0.37831%0.31SS..Hα-helixtrans-70.2-35.1176.4168.40000111.8T68 L69 Q74 E75T68-S71 PolarHBondContact O-N 3Å; L69-S71 VanDerWaalsContact C-N 3.33Å; L69-S71 PolarHBondContact O-N 3.37Å; S71-Q74 WeakPolarHBondContact O-CB 3.46Å; S71-Q74 PolarHBondContact O-N 2.78Å; S71-E75 PolarHBondContact O-N 3.12Å; S71-E75 VanDerWaalsContact O-N 3.15Å
72I95.4Very high93.8Very high0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-70.4-39.4176.3-58.3168.5000110.7I59 T68 L69 Q74 E75 I76 V101 L103I59-I72 HydrophobicContact CB-CD1 4.28Å; I59-I72 HydrophobicContact CD1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CD1 3.67Å; I59-I72 HydrophobicContact CG2-CG1 3.96Å; T68-I72 PolarHBondContact O-N 2.88Å; T68-I72 VanDerWaalsContact O-N 3.11Å; L69-I72 PolarHBondContact O-N 2.71Å; L69-I72 VanDerWaalsContact O-N 3.15Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.34Å; I72-E75 WeakPolarHBondContact O-CB 3.33Å; I72-E75 PolarHBondContact O-N 2.94Å; I72-I76 HydrophobicContact CG2-CD1 4.24Å; I72-I76 WeakPolarHBondContact O-CG1 3.31Å; I72-I76 PolarHBondContact O-N 3.39Å; I72-V101 HydrophobicContact CD1-CB 4.32Å; I72-V101 HydrophobicContact CD1-CG2 3.95Å; I72-V101 HydrophobicContact CG2-CB 3.85Å; I72-V101 HydrophobicContact CG2-CG1 3.69Å; I72-V101 HydrophobicContact CG2-CG2 4.11Å; I72-L103 HydrophobicContact CG2-CD1 4.31Å
73M94.8Very high93.7Very high45 Ų4550 Ų5022%0.22229%0.287CS..Hα-helixtrans-63.5-35.7174-70.4-55.5-57.500111.5L69 A70 I76 D77 Y94 V96L69-M73 HydrophobicContact CD1-CG 4.03Å; L69-M73 HydrophobicContact CD1-SD 4.32Å; L69-M73 HydrophobicContact CG-CG 4.18Å; L69-M73 WeakPolarHBondContact O-CB 3.44Å; L69-M73 VanDerWaalsContact O-CG 3.3Å; L69-M73 WeakPolarHBondContact O-CG 3.43Å; L69-M73 PolarHBondContact O-N 2.98Å; A70-M73 PolarHBondContact O-N 3.11Å; M73-I76 WeakPolarHBondContact O-CB 3.45Å; M73-I76 PolarHBondContact O-N 3.37Å; M73-I76 HydrophobicContact SD-CD1 3.79Å; M73-D77 VanDerWaalsContact O-CG 3.29Å; M73-D77 PolarHBondContact O-N 3.42Å; M73-Y94 HydrophobicContact CE-CE2 4.06Å; M73-Y94 HydrophobicContact SD-CE2 4.2Å; M73-V96 HydrophobicContact SD-CG2 4.43Å
74Q93.5Very high93.8Very high80 Ų8052.2 Ų52.237%0.37430%0.301SS..Hα-helixtrans-61.4-44.7171.8-175.6-178.8-1700111.6A70 S71 I72 I76 D77 M78 A177A70-Q74 PolarHBondContact O-N 2.78Å; S71-Q74 WeakPolarHBondContact O-CB 3.46Å; S71-Q74 PolarHBondContact O-N 2.78Å; I72-Q74 VanDerWaalsContact C-N 3.27Å; I72-Q74 PolarHBondContact O-N 3.34Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 3.42Å; Q74-D77 PolarHBondContact O-N 3.16Å; Q74-M78 HydrophobicContact CG-CE 3.87Å; Q74-M78 VanDerWaalsContact O-CG 3.31Å; Q74-M78 WeakPolarHBondContact O-CG 3.48Å; Q74-M78 PolarHBondContact O-N 2.94Å; Q74-A177 PolarHBondContact NE2-O 3Å
75E94.7Very high94.2Very high15 Ų1547.2 Ų47.27%0.0727%0.265CS..Hα-helixtrans-57.6-46.7173.8176.8179177.100111.3K57 S71 I72 D77 M78 V79 L103 F174K57-E75 IonicContact NZ-OE1 3.21Å; K57-E75 PolarHBondContact NZ-OE1 3.28Å; S71-E75 PolarHBondContact O-N 3.12Å; S71-E75 VanDerWaalsContact O-N 3.15Å; I72-E75 WeakPolarHBondContact O-CB 3.33Å; I72-E75 PolarHBondContact O-N 2.94Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.26Å; E75-M78 PolarHBondContact O-N 3.2Å; E75-V79 WeakPolarHBondContact O-CG2 3.46Å; E75-V79 PolarHBondContact O-N 2.91Å; E75-L103 HydrophobicContact CG-CD2 4.27Å; E75-F174 HydrophobicContact CG-CB 4.38Å
76I95.3Very high94.6Very high0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-56.3-44.6176.2-72.7164.7000111.1I72 M73 Q74 V79 K80 M91 Y94 V101 L103I72-I76 HydrophobicContact CG2-CD1 4.24Å; I72-I76 WeakPolarHBondContact O-CG1 3.31Å; I72-I76 PolarHBondContact O-N 3.39Å; M73-I76 WeakPolarHBondContact O-CB 3.45Å; M73-I76 PolarHBondContact O-N 3.37Å; M73-I76 HydrophobicContact SD-CD1 3.79Å; Q74-I76 VanDerWaalsContact C-N 3.34Å; Q74-I76 PolarHBondContact O-N 3.42Å; I76-V79 PolarHBondContact O-N 3.46Å; I76-K80 HydrophobicContact CG2-CD 4.29Å; I76-K80 WeakPolarHBondContact O-CG 3.48Å; I76-K80 PolarHBondContact O-N 3.45Å; I76-M91 HydrophobicContact CG1-SD 4.48Å; I76-M91 HydrophobicContact CG2-CE 3.93Å; I76-M91 HydrophobicContact CG2-SD 4.3Å; I76-Y94 HydrophobicContact CD1-CD2 3.62Å; I76-Y94 HydrophobicContact CD1-CE2 4.28Å; I76-Y94 HydrophobicContact CD1-CG 3.93Å; I76-Y94 HydrophobicContact CG2-CD1 4.14Å; I76-Y94 HydrophobicContact CG2-CE1 4.34Å; I76-Y94 HydrophobicContact CG2-CG 4.25Å; I76-V101 HydrophobicContact CD1-CG1 4.11Å; I76-L103 HydrophobicContact CD1-CD1 3.95Å; I76-L103 HydrophobicContact CD1-CG 4.48Å; I76-L103 HydrophobicContact CG1-CD1 3.81Å; I76-L103 HydrophobicContact CG1-CD2 4.04Å; I76-L103 HydrophobicContact CG1-CG 3.89Å
77D95Very high94.8Very high76 Ų7641 Ų4141%0.40623%0.229SC..Hα-helixtrans-67.1-38179.1-69-22.3000112M73 Q74 E75 K80 I81M73-D77 VanDerWaalsContact O-CG 3.29Å; M73-D77 PolarHBondContact O-N 3.42Å; Q74-D77 PolarHBondContact O-N 3.16Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.26Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 3.49Å; D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 3.22Å
78M94.2Very high95Very high15 Ų1537.8 Ų37.87%0.07421%0.212CC..Hα-helixtrans-62.7-44.1174-63.7-54.7160.300111.6Q74 E75 K80 I81 G82 I148 F174 A177 H179Q74-M78 HydrophobicContact CG-CE 3.87Å; Q74-M78 VanDerWaalsContact O-CG 3.31Å; Q74-M78 WeakPolarHBondContact O-CG 3.48Å; Q74-M78 PolarHBondContact O-N 2.94Å; E75-M78 PolarHBondContact O-N 3.2Å; M78-K80 PolarHBondContact O-N 3.44Å; M78-I81 PolarHBondContact O-N 3.34Å; M78-G82 PolarHBondContact O-N 2.63Å; M78-I148 HydrophobicContact SD-CD1 3.58Å; M78-I148 VanDerWaalsContact SD-CD1 3.58Å; M78-I148 HydrophobicContact SD-CG1 3.85Å; M78-I148 HydrophobicContact SD-CG2 4.01Å; M78-F174 HydrophobicContact CB-CB 3.94Å; M78-F174 HydrophobicContact CB-CD1 3.99Å; M78-F174 HydrophobicContact CB-CG 4.23Å; M78-A177 HydrophobicContact CG-CB 4.21Å; M78-H179 HydrophobicContact CE-CB 4.21Å
79V94.5Very high95.1Very high4 Ų436.8 Ų36.82%0.02421%0.206CC..Hα-helixtrans-65-40177.6178.90000111E75 I76 I81 G82 H83 M91 F174E75-V79 WeakPolarHBondContact O-CG2 3.46Å; E75-V79 PolarHBondContact O-N 2.91Å; I76-V79 PolarHBondContact O-N 3.46Å; V79-I81 PolarHBondContact O-N 3.01Å; V79-G82 CarbonylContact O-C 3.51Å; V79-G82 WeakPolarHBondContact O-CA 3.19Å; V79-G82 PolarHBondContact O-N 3.2Å; V79-H83 PolarHBondContact O-CD2 3.08Å; V79-H83 VanDerWaalsContact O-CD2 3.23Å; V79-H83 PolarHBondContact O-N 2.89Å; V79-M91 HydrophobicContact CG1-CB 3.69Å; V79-F174 HydrophobicContact CG2-CB 4.08Å; V79-F174 HydrophobicContact CG2-CD2 3.96Å; V79-F174 HydrophobicContact CG2-CG 4.24Å
80K95Very high95.2Very high51 Ų5137.2 Ų37.222%0.22221%0.206CC..Hα-helixtrans-59.4-44.4173.8-75172.6-175165.30112.2F15 I76 D77 M78 G82 H83 M91F15-K80 HydrophobicContact CD2-CG 4.47Å; F15-K80 HydrophobicContact CE2-CG 4.16Å; I76-K80 HydrophobicContact CG2-CD 4.29Å; I76-K80 WeakPolarHBondContact O-CG 3.48Å; I76-K80 PolarHBondContact O-N 3.45Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 3.49Å; M78-K80 PolarHBondContact O-N 3.44Å; K80-G82 PolarHBondContact O-N 3.43Å; K80-H83 VanDerWaalsContact O-CB 3.26Å; K80-H83 WeakPolarHBondContact O-CB 3.42Å; K80-H83 PolarHBondContact O-N 3.01Å; K80-H83 VanDerWaalsContact O-N 3.08Å; K80-M91 HydrophobicContact CD-CE 4.36Å; K80-M91 HydrophobicContact CG-CE 3.64Å
81I94.3Very high95.3Very high56 Ų5633.3 Ų33.329%0.28717%0.173SC..Hα-helixtrans-58.5-40.6174.4-67.6165.9000110D77 M78 V79 H83 Q84 F142 K146 I148D77-I81 WeakPolarHBondContact O-CG1 3.44Å; D77-I81 PolarHBondContact O-N 3.22Å; M78-I81 PolarHBondContact O-N 3.34Å; V79-I81 PolarHBondContact O-N 3.01Å; I81-H83 PolarHBondContact O-N 3.09Å; I81-H83 VanDerWaalsContact O-N 3.15Å; I81-Q84 PolarHBondContact O-N 2.84Å; I81-F142 HydrophobicContact CG2-CE1 4.22Å; I81-F142 HydrophobicContact CG2-CZ 4.25Å; I81-F142 WeakPolarHBondContact O-CE1 3.49Å; I81-F142 VanDerWaalsContact O-CZ 3.31Å; I81-F142 WeakPolarHBondContact O-CZ 3.48Å; I81-K146 HydrophobicContact CG2-CG 4.06Å; I81-I148 HydrophobicContact CD1-CD1 3.95Å; I81-I148 HydrophobicContact CG2-CD1 4.07Å
82G93.5Very high95.4Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-58.4-19.6175.600000115.6M78 V79 K80 Q84 N85 K90M78-G82 PolarHBondContact O-N 2.63Å; V79-G82 CarbonylContact O-C 3.51Å; V79-G82 WeakPolarHBondContact O-CA 3.19Å; V79-G82 PolarHBondContact O-N 3.2Å; K80-G82 PolarHBondContact O-N 3.43Å; G82-Q84 PolarHBondContact O-N 3.45Å; G82-Q84 VanDerWaalsContact O-N 3.07Å; G82-N85 PolarHBondContact O-N 3.1Å; G82-K90 PolarHBondContact O-NZ 2.93Å
83H93.9Very high95.4Very high37 Ų3734.5 Ų34.517%0.17117%0.173CC..THydrogen-bonded Turntrans-58.2-26.3178.8-81.2-147.7000113.4F15 V79 K80 I81 N85 K90 M91F15-H83 AromaticContact CE2-CE1 3.51Å; F15-H83 AromaticContact CZ-CE1 3.47Å; F15-H83 VanDerWaalsContact CZ-CE1 3.47Å; F15-H83 WeakPolarHBondContact CZ-CE1 3.44Å; F15-H83 AromaticContact CZ-NE2 3.96Å; V79-H83 PolarHBondContact O-CD2 3.08Å; V79-H83 VanDerWaalsContact O-CD2 3.23Å; V79-H83 PolarHBondContact O-N 2.89Å; K80-H83 VanDerWaalsContact O-CB 3.26Å; K80-H83 WeakPolarHBondContact O-CB 3.42Å; K80-H83 PolarHBondContact O-N 3.01Å; K80-H83 VanDerWaalsContact O-N 3.08Å; I81-H83 PolarHBondContact O-N 3.09Å; I81-H83 VanDerWaalsContact O-N 3.15Å; H83-N85 PolarHBondContact O-N 3.06Å; H83-K90 PolarHBondContact O-NZ 3.26Å; H83-M91 PolarHBondContact CE1-O 3.28Å; H83-M91 PolarHBondContact NE2-N 3.21Å; H83-M91 PolarHBondContact NE2-O 3.16Å
84Q93.8Very high95.4Very high104 Ų10433.2 Ų33.249%0.48617%0.166SC..THydrogen-bonded Turntrans-73-8.6179-57.8173.68.700113.7T10 I81 G82 F142T10-Q84 HydrophobicContact CG2-CG 4.47Å; I81-Q84 PolarHBondContact O-N 2.84Å; G82-Q84 PolarHBondContact O-N 3.45Å; G82-Q84 VanDerWaalsContact O-N 3.07Å; Q84-F142 HydrophobicContact CB-CE2 3.79Å; Q84-F142 HydrophobicContact CB-CZ 3.66Å; Q84-F142 HydrophobicContact CG-CZ 4.45Å
85N97.4Very high95.6Very high21 Ų2129.4 Ų29.411%0.11215%0.148CC..SBendtrans-119.1129.8-179.6-172.3-72000111.6G82 H83 H87 I88 K90 K138 F142G82-N85 PolarHBondContact O-N 3.1Å; H83-N85 PolarHBondContact O-N 3.06Å; N85-H87 VanDerWaalsContact C-N 3.25Å; N85-H87 PolarHBondContact O-N 3.13Å; N85-H87 WeakPolarHBondContact OD1-CA 3.47Å; N85-H87 WeakPolarHBondContact OD1-CB 3.35Å; N85-H87 PolarHBondContact OD1-N 3.36Å; N85-I88 HydrophobicContact CB-CD1 3.99Å; N85-I88 HydrophobicContact CB-CG1 4.27Å; N85-I88 PolarHBondContact O-N 3.42Å; N85-K90 PolarHBondContact O-NZ 2.86Å; N85-K138 PolarHBondContact ND2-O 2.99Å; N85-K138 VanDerWaalsContact ND2-O 3.13Å; N85-F142 HydrophobicContact CB-CB 4.19Å; N85-F142 HydrophobicContact CB-CD1 3.66Å; N85-F142 HydrophobicContact CB-CD2 4.17Å; N85-F142 HydrophobicContact CB-CE1 4.1Å; N85-F142 HydrophobicContact CB-CG 3.72Å; N85-F142 WeakPolarHBondContact ND2-CB 3.48Å
86S97.3Very high95.6Very high73 Ų7329.7 Ų29.751%0.5115%0.151SC..THydrogen-bonded Turntrans-63.5-26.3-177.849.10000114.2I88 R161S86-I88 VanDerWaalsContact C-N 3.34Å; S86-I88 PolarHBondContact O-N 2.84Å; S86-R161 VanDerWaalsContact O-CZ 3.32Å; S86-R161 PolarHBondContact O-NH1 3.21Å; S86-R161 PolarHBondContact O-NH2 3.14Å; S86-R161 VanDerWaalsContact O-NH2 3.12Å
87H98.1Very high95.6Very high18 Ų1829.9 Ų29.98%0.08315%0.153CC..THydrogen-bonded Turntrans-96.117.2-174.3-55-63.4000113.2N85 Q135 A139 I169 L171N85-H87 VanDerWaalsContact C-N 3.25Å; N85-H87 PolarHBondContact O-N 3.13Å; N85-H87 WeakPolarHBondContact OD1-CA 3.47Å; N85-H87 WeakPolarHBondContact OD1-CB 3.35Å; N85-H87 PolarHBondContact OD1-N 3.36Å; H87-Q135 VanDerWaalsContact CE1-CG 3.45Å; H87-Q135 WeakPolarHBondContact CE1-CG 3.35Å; H87-Q135 PolarHBondContact CE1-OE1 3.38Å; H87-Q135 VanDerWaalsContact CE1-OE1 3.29Å; H87-Q135 PolarHBondContact ND1-OE1 2.83Å; H87-Q135 VanDerWaalsContact ND1-OE1 3.15Å; H87-A139 HydrophobicContact CB-CB 3.97Å; H87-I169 WeakPolarHBondContact CA-O 3.44Å; H87-I169 HydrophobicContact CB-CD1 4.02Å; H87-L171 PolarHBondContact O-N 3.45Å
88I98.1Very high95.4Very high0 Ų032.4 Ų32.40%017%0.166CC..BIsolated β-bridgetrans-115.2140171.5-64.7174.5000108.9N85 S86 K90 A139 F142 I143 R161 F174N85-I88 HydrophobicContact CB-CD1 3.99Å; N85-I88 HydrophobicContact CB-CG1 4.27Å; N85-I88 PolarHBondContact O-N 3.42Å; S86-I88 VanDerWaalsContact C-N 3.34Å; S86-I88 PolarHBondContact O-N 2.84Å; I88-K90 WeakPolarHBondContact O-CE 3.39Å; I88-K90 PolarHBondContact O-N 3.22Å; I88-A139 HydrophobicContact CG1-CB 3.93Å; I88-F142 HydrophobicContact CD1-CD1 3.75Å; I88-F142 HydrophobicContact CD1-CE1 4.18Å; I88-I143 HydrophobicContact CD1-CG2 3.57Å; I88-R161 PolarHBondContact O-NH2 3.1Å; I88-F174 HydrophobicContact CD1-CZ 4.16Å; I88-F174 HydrophobicContact CG1-CZ 4.33Å; I88-F174 HydrophobicContact CG2-CE2 3.66Å; I88-F174 HydrophobicContact CG2-CZ 3.79Å
89V97.3Very high95.4Very high3 Ų340 Ų402%0.01820%0.199CC..PPolyproline II helixtrans-54.2135.517972.10000111.5L105 E106 A170 L171 C172V89-L105 HydrophobicContact CG2-CB 4.39Å; V89-E106 VanDerWaalsContact CA-OE1 3.29Å; V89-E106 WeakPolarHBondContact CA-OE1 3.21Å; V89-E106 HydrophobicContact CG2-CG 3.79Å; V89-A170 HydrophobicContact CB-CB 4.46Å; V89-L171 PolarHBondContact N-O 2.88Å; V89-C172 HydrophobicContact CB-CB 3.92Å; V89-C172 HydrophobicContact CG1-CB 3.76Å; V89-C172 HydrophobicContact CG2-CB 4.43Å
90K96.7Very high95.5Very high47 Ų4742.8 Ų42.820%0.20421%0.212CC..PPolyproline II helixtrans-88.9131.3177.3-54.7-54.2172.4-172.10110.4G82 H83 N85 I88 L105 E106G82-K90 PolarHBondContact O-NZ 2.93Å; H83-K90 PolarHBondContact O-NZ 3.26Å; N85-K90 PolarHBondContact O-NZ 2.86Å; I88-K90 WeakPolarHBondContact O-CE 3.39Å; I88-K90 PolarHBondContact O-N 3.22Å; K90-L105 CarbonylContact O-C 3.48Å; K90-L105 WeakPolarHBondContact O-CA 3.47Å; K90-E106 HydrophobicContact CB-CB 4.33Å; K90-E106 HydrophobicContact CB-CG 4.22Å; K90-E106 WeakPolarHBondContact CG-OE1 3.27Å; K90-E106 PolarHBondContact N-OE1 3.24Å; K90-E106 PolarHBondContact O-N 3.13Å
91M96.4Very high95.5Very high0 Ų040.4 Ų40.40%020%0.201CC..EExtended strand (participates in β ladder)trans-93.4129166.7-176.817870.800108.2F15 I76 V79 K80 H83 D93 Y94 L103 L104 L105F15-M91 HydrophobicContact CD1-CE 4.2Å; F15-M91 HydrophobicContact CE1-CE 3.47Å; F15-M91 VanDerWaalsContact CE1-CE 3.47Å; F15-M91 HydrophobicContact CE1-CG 4.12Å; F15-M91 HydrophobicContact CE2-CE 4.13Å; F15-M91 HydrophobicContact CZ-CB 4.28Å; F15-M91 HydrophobicContact CZ-CE 3.41Å; F15-M91 VanDerWaalsContact CZ-CE 3.41Å; F15-M91 HydrophobicContact CZ-CG 4.25Å; F15-M91 VanDerWaalsContact CZ-O 3.26Å; F15-M91 WeakPolarHBondContact CZ-O 3.42Å; I76-M91 HydrophobicContact CG1-SD 4.48Å; I76-M91 HydrophobicContact CG2-CE 3.93Å; I76-M91 HydrophobicContact CG2-SD 4.3Å; V79-M91 HydrophobicContact CG1-CB 3.69Å; K80-M91 HydrophobicContact CD-CE 4.36Å; K80-M91 HydrophobicContact CG-CE 3.64Å; H83-M91 PolarHBondContact CE1-O 3.28Å; H83-M91 PolarHBondContact NE2-N 3.21Å; H83-M91 PolarHBondContact NE2-O 3.16Å; M91-D93 VanDerWaalsContact CG-O 3.32Å; M91-D93 WeakPolarHBondContact CG-O 3.25Å; M91-Y94 HydrophobicContact CE-CD1 4.21Å; M91-L103 HydrophobicContact SD-CG 4.23Å; M91-L104 CarbonylContact C-O 3.51Å; M91-L104 WeakPolarHBondContact CA-O 3.24Å; M91-L104 WeakPolarHBondContact CG-O 3.28Å; M91-L105 HydrophobicContact CB-CD2 3.86Å; M91-L105 HydrophobicContact CG-CD2 4.11Å
92K94.7Very high95.7Very high56 Ų5637.7 Ų37.724%0.24319%0.188CC..EExtended strand (participates in β ladder)trans-86.8-42.2175.5-61.4-179.1-176.3178.70111F15 E52 S54 L104F15-K92 VanDerWaalsContact CE1-O 3.31Å; F15-K92 WeakPolarHBondContact CE1-O 3.47Å; E52-K92 IonicContact OE1-NZ 3.19Å; E52-K92 PolarHBondContact OE1-NZ 3.15Å; S54-K92 PolarHBondContact OG-NZ 3.08Å; K92-L104 HydrophobicContact CB-CD2 4.02Å; K92-L104 HydrophobicContact CB-CG 4.22Å; K92-L104 PolarHBondContact N-O 3.46Å
93D94.8Very high95.8Very high24 Ų2437.8 Ų37.813%0.12819%0.188CC..EExtended strand (participates in β ladder)trans-159.3173.1-179-148.1-21.1000111.5H19 M91 Y95 L104H19-D93 IonicContact CD2-OD1 3.18Å; H19-D93 PolarHBondContact CD2-OD1 3.23Å; H19-D93 IonicContact CD2-OD2 2.74Å; H19-D93 PolarHBondContact CD2-OD2 3.25Å; H19-D93 IonicContact NE2-OD2 3.4Å; H19-D93 PolarHBondContact NE2-OD2 3.38Å; M91-D93 VanDerWaalsContact CG-O 3.32Å; M91-D93 WeakPolarHBondContact CG-O 3.25Å; D93-Y95 HydrophobicContact CB-CE2 4Å; D93-Y95 PolarHBondContact OD2-OH 2.9Å; D93-L104 HydrophobicContact CB-CB 4.21Å; D93-L104 HydrophobicContact CB-CD2 4.12Å; D93-L104 PolarHBondContact N-O 3.16Å; D93-L104 WeakPolarHBondContact O-CB 3.42Å; D93-L104 PolarHBondContact O-N 3.18Å
94Y96.4Very high96Very high17 Ų1736 Ų367%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-145.1147168.271-77.7000112.1F15 V18 M73 I76 M91 V96 V102F15-Y94 HydrophobicContact CD1-CD1 4.2Å; F15-Y94 HydrophobicContact CD1-CE1 4.36Å; V18-Y94 HydrophobicContact CG2-CE2 4.18Å; M73-Y94 HydrophobicContact CE-CE2 4.06Å; M73-Y94 HydrophobicContact SD-CE2 4.2Å; I76-Y94 HydrophobicContact CD1-CD2 3.62Å; I76-Y94 HydrophobicContact CD1-CE2 4.28Å; I76-Y94 HydrophobicContact CD1-CG 3.93Å; I76-Y94 HydrophobicContact CG2-CD1 4.14Å; I76-Y94 HydrophobicContact CG2-CE1 4.34Å; I76-Y94 HydrophobicContact CG2-CG 4.25Å; M91-Y94 HydrophobicContact CE-CD1 4.21Å; Y94-V96 HydrophobicContact CD2-CG2 3.99Å; Y94-V96 HydrophobicContact CE2-CG2 4.07Å; Y94-V102 CarbonylContact C-O 3.51Å; Y94-V102 WeakPolarHBondContact CA-O 3.17Å
95Y96.7Very high96.2Very high1 Ų132.1 Ų32.10%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-126.8129.4-176-55.1-100.5000109.9H19 K23 F24 Y28 D93 V101 V102 L104H19-Y95 HydrophobicContact CB-CD1 3.42Å; H19-Y95 VanDerWaalsContact CB-CD1 3.42Å; H19-Y95 HydrophobicContact CB-CE1 3.78Å; H19-Y95 HydrophobicContact CB-CG 4.25Å; H19-Y95 CarbonylContact O-C 3.6Å; H19-Y95 WeakPolarHBondContact O-CA 3.46Å; K23-Y95 HydrophobicContact CB-CD1 4.35Å; K23-Y95 HydrophobicContact CB-CE1 4.22Å; K23-Y95 HydrophobicContact CD-CE1 4.18Å; K23-Y95 HydrophobicContact CG-CE1 4.17Å; F24-Y95 HydrophobicContact CB-CD1 3.6Å; F24-Y95 HydrophobicContact CB-CD2 3.86Å; F24-Y95 HydrophobicContact CB-CE1 3.89Å; F24-Y95 HydrophobicContact CB-CE2 4.17Å; F24-Y95 HydrophobicContact CB-CG 3.59Å; F24-Y95 HydrophobicContact CD2-CD2 4.02Å; F24-Y95 AromaticContact CD2-CE2 3.97Å; F24-Y95 HydrophobicContact CD2-CE2 3.97Å; F24-Y95 HydrophobicContact CG-CD2 4.25Å; F24-Y95 HydrophobicContact CG-CG 4.41Å; Y28-Y95 WeakPolarHBondContact CE2-OH 3.36Å; D93-Y95 HydrophobicContact CB-CE2 4Å; D93-Y95 PolarHBondContact OD2-OH 2.9Å; Y95-V101 CarbonylContact O-C 3.54Å; Y95-V101 VanDerWaalsContact O-CA 3.26Å; Y95-V101 WeakPolarHBondContact O-CA 3.34Å; Y95-V101 WeakPolarHBondContact O-CG1 3.49Å; Y95-V102 HydrophobicContact CD2-CB 4.33Å; Y95-V102 PolarHBondContact N-O 3.44Å; Y95-V102 PolarHBondContact O-N 3.45Å; Y95-L104 HydrophobicContact CE2-CB 4.29Å; Y95-L104 HydrophobicContact CE2-CD2 4.5Å
96V95.6Very high96.1Very high20 Ų2032.8 Ų32.812%0.12117%0.165CC..EExtended strand (participates in β ladder)trans-111.9118.6-178.4-179.60000109.5V18 H19 K20 L69 M73 Y94 V101V18-V96 HydrophobicContact CG1-CB 3.56Å; V18-V96 HydrophobicContact CG1-CG1 4.44Å; V18-V96 HydrophobicContact CG1-CG2 3.59Å; H19-V96 PolarHBondContact O-N 3.46Å; K20-V96 WeakPolarHBondContact CA-O 3.48Å; L69-V96 HydrophobicContact CD1-CG1 3.74Å; L69-V96 HydrophobicContact CD1-CG2 4.39Å; L69-V96 HydrophobicContact CD2-CG1 4.29Å; M73-V96 HydrophobicContact SD-CG2 4.43Å; Y94-V96 HydrophobicContact CD2-CG2 3.99Å; Y94-V96 HydrophobicContact CE2-CG2 4.07Å; V96-V101 HydrophobicContact CG1-CG2 4.33Å; V96-V101 HydrophobicContact CG2-CG1 4.18Å; V96-V101 HydrophobicContact CG2-CG2 4.48Å
97G93.7Very high96Very high5 Ų531 Ų315%0.05215%0.15CC..  trans-111.2-179.9173.500000113.1T21 R61 E100T21-G97 WeakPolarHBondContact OG1-CA 3.21Å; R61-G97 WeakPolarHBondContact CD-O 3.32Å; R61-G97 PolarHBondContact NH1-O 2.99Å; R61-G97 VanDerWaalsContact NH1-O 3.14Å; G97-E100 VanDerWaalsContact CA-O 3.31Å; G97-E100 WeakPolarHBondContact CA-O 3.36Å; G97-E100 PolarHBondContact N-O 3.25Å
98D92.1Very high95.9Very high128 Ų12830.8 Ų30.868%0.68415%0.15SC*.SBendtrans-72.3-30.4176.4-71.5-23000112.5W62W62-D98 PolarHBondContact NE1-O 3.42Å
99K93.5Very high95.6Very high174 Ų17436.9 Ų36.976%0.75718%0.182SC*.SBendtrans-107.6-30.1-176.5-65-177.6-178.11760113.7R61R61-K99 WeakPolarHBondContact CB-O 3.49Å; R61-K99 PolarHBondContact N-O 3.3Å
100E95.7Very high95.5Very high64 Ų6440.6 Ų40.630%0.29920%0.199SC..EExtended strand (participates in β ladder)trans-146158.9-171.763.6-169.8-168.400111.8T21 I58 I59 G97T21-E100 HydrophobicContact CG2-CG 4.2Å; I58-E100 HydrophobicContact CG2-CB 4.21Å; I58-E100 HydrophobicContact CG2-CG 4.28Å; I58-E100 VanDerWaalsContact CG2-OE2 3.31Å; I58-E100 WeakPolarHBondContact CG2-OE2 3.44Å; I59-E100 CarbonylContact O-C 3.49Å; I59-E100 WeakPolarHBondContact O-CA 3.11Å; I59-E100 WeakPolarHBondContact O-CB 3.33Å; G97-E100 VanDerWaalsContact CA-O 3.31Å; G97-E100 WeakPolarHBondContact CA-O 3.36Å; G97-E100 PolarHBondContact N-O 3.25Å
101V96.7Very high95.3Very high0 Ų040.1 Ų40.10%021%0.207CC..EExtended strand (participates in β ladder)trans-121.1135171.1-178.70000107I59 L69 I72 I76 Y95 V96 L103I59-V101 PolarHBondContact N-O 3.49Å; I59-V101 PolarHBondContact O-N 2.93Å; L69-V101 HydrophobicContact CD1-CG2 3.82Å; I72-V101 HydrophobicContact CD1-CB 4.32Å; I72-V101 HydrophobicContact CD1-CG2 3.95Å; I72-V101 HydrophobicContact CG2-CB 3.85Å; I72-V101 HydrophobicContact CG2-CG1 3.69Å; I72-V101 HydrophobicContact CG2-CG2 4.11Å; I76-V101 HydrophobicContact CD1-CG1 4.11Å; Y95-V101 CarbonylContact O-C 3.54Å; Y95-V101 VanDerWaalsContact O-CA 3.26Å; Y95-V101 WeakPolarHBondContact O-CA 3.34Å; Y95-V101 WeakPolarHBondContact O-CG1 3.49Å; V96-V101 HydrophobicContact CG1-CG2 4.33Å; V96-V101 HydrophobicContact CG2-CG1 4.18Å; V96-V101 HydrophobicContact CG2-CG2 4.48Å; V101-L103 HydrophobicContact CG1-CD1 3.96Å
102V97.2Very high95.3Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-111.9122.4178.5-176.60000108.6T21 F24 A56 K57 I58 Y94 Y95T21-V102 HydrophobicContact CG2-CG2 4.13Å; F24-V102 HydrophobicContact CD1-CG1 4.45Å; F24-V102 HydrophobicContact CD1-CG2 4.07Å; F24-V102 HydrophobicContact CD2-CG1 4.05Å; F24-V102 HydrophobicContact CE1-CG1 4.2Å; F24-V102 HydrophobicContact CE1-CG2 4.15Å; F24-V102 HydrophobicContact CE2-CG1 3.78Å; F24-V102 HydrophobicContact CG-CG1 4.37Å; F24-V102 HydrophobicContact CG-CG2 4.46Å; F24-V102 HydrophobicContact CZ-CG1 3.85Å; A56-V102 HydrophobicContact CB-CG1 3.92Å; K57-V102 WeakPolarHBondContact O-CA 3.27Å; I58-V102 HydrophobicContact CG1-CG1 4.26Å; I58-V102 HydrophobicContact CG1-CG2 4.14Å; I58-V102 HydrophobicContact CG2-CG2 4.29Å; Y94-V102 CarbonylContact C-O 3.51Å; Y94-V102 WeakPolarHBondContact CA-O 3.17Å; Y95-V102 HydrophobicContact CD2-CB 4.33Å; Y95-V102 PolarHBondContact N-O 3.44Å; Y95-V102 PolarHBondContact O-N 3.45Å
103L96.7Very high95.4Very high1 Ų138.7 Ų38.71%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-96117.4166.3-79.361.6000107.4A56 K57 I59 I72 E75 I76 M91 V101 L105A56-L103 WeakPolarHBondContact CA-O 3.16Å; K57-L103 HydrophobicContact CB-CB 4.29Å; K57-L103 PolarHBondContact N-O 3.39Å; K57-L103 PolarHBondContact O-N 2.88Å; I59-L103 HydrophobicContact CD1-CD1 3.82Å; I72-L103 HydrophobicContact CG2-CD1 4.31Å; E75-L103 HydrophobicContact CG-CD2 4.27Å; I76-L103 HydrophobicContact CD1-CD1 3.95Å; I76-L103 HydrophobicContact CD1-CG 4.48Å; I76-L103 HydrophobicContact CG1-CD1 3.81Å; I76-L103 HydrophobicContact CG1-CD2 4.04Å; I76-L103 HydrophobicContact CG1-CG 3.89Å; M91-L103 HydrophobicContact SD-CG 4.23Å; V101-L103 HydrophobicContact CG1-CD1 3.96Å; L103-L105 HydrophobicContact CB-CD2 4.23Å; L103-L105 HydrophobicContact CB-CG 4.36Å
104L97.2Very high95.4Very high1 Ų140.7 Ų40.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-88.7111.8174.5-17372.4000108.4Y28 V45 M91 K92 D93 Y95Y28-L104 HydrophobicContact CD1-CD1 4.29Å; Y28-L104 HydrophobicContact CE1-CD1 3.97Å; Y28-L104 HydrophobicContact CE1-CD2 3.84Å; Y28-L104 HydrophobicContact CE2-CD2 4.24Å; Y28-L104 WeakPolarHBondContact OH-CD2 3.21Å; V45-L104 HydrophobicContact CG2-CD1 3.62Å; M91-L104 CarbonylContact C-O 3.51Å; M91-L104 WeakPolarHBondContact CA-O 3.24Å; M91-L104 WeakPolarHBondContact CG-O 3.28Å; K92-L104 HydrophobicContact CB-CD2 4.02Å; K92-L104 HydrophobicContact CB-CG 4.22Å; K92-L104 PolarHBondContact N-O 3.46Å; D93-L104 HydrophobicContact CB-CB 4.21Å; D93-L104 HydrophobicContact CB-CD2 4.12Å; D93-L104 PolarHBondContact N-O 3.16Å; D93-L104 WeakPolarHBondContact O-CB 3.42Å; D93-L104 PolarHBondContact O-N 3.18Å; Y95-L104 HydrophobicContact CE2-CB 4.29Å; Y95-L104 HydrophobicContact CE2-CD2 4.5Å
105L97.1Very high95.3Very high22 Ų2244.2 Ų44.212%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-112.1158.3-173-55.7175.3000110.9S54 A55 K57 V89 K90 M91 L103S54-L105 WeakPolarHBondContact CB-O 3.47Å; A55-L105 HydrophobicContact CB-CB 4.35Å; A55-L105 PolarHBondContact N-O 3.21Å; A55-L105 PolarHBondContact O-N 2.84Å; K57-L105 HydrophobicContact CB-CD1 4.24Å; V89-L105 HydrophobicContact CG2-CB 4.39Å; K90-L105 CarbonylContact O-C 3.48Å; K90-L105 WeakPolarHBondContact O-CA 3.47Å; M91-L105 HydrophobicContact CB-CD2 3.86Å; M91-L105 HydrophobicContact CG-CD2 4.11Å; L103-L105 HydrophobicContact CB-CD2 4.23Å; L103-L105 HydrophobicContact CB-CG 4.36Å
106E96.2Very high95.2Very high34 Ų3447.7 Ų47.716%0.15924%0.239CC..  trans-57148.1166.469.9179.9142.200111.5V89 K90 R161V89-E106 VanDerWaalsContact CA-OE1 3.29Å; V89-E106 WeakPolarHBondContact CA-OE1 3.21Å; V89-E106 HydrophobicContact CG2-CG 3.79Å; K90-E106 HydrophobicContact CB-CB 4.33Å; K90-E106 HydrophobicContact CB-CG 4.22Å; K90-E106 WeakPolarHBondContact CG-OE1 3.27Å; K90-E106 PolarHBondContact N-OE1 3.24Å; K90-E106 PolarHBondContact O-N 3.13Å; E106-R161 VanDerWaalsContact CD-NE 3.34Å; E106-R161 IonicContact OE1-CZ 2.91Å; E106-R161 IonicContact OE1-NE 3.8Å; E106-R161 PolarHBondContact OE1-NE 3.23Å; E106-R161 IonicContact OE1-NH2 3.63Å; E106-R161 PolarHBondContact OE1-NH2 2.97Å; E106-R161 IonicContact OE2-CZ 3.97Å; E106-R161 IonicContact OE2-NE 2.72Å; E106-R161 PolarHBondContact OE2-NE 3.46Å; E106-R161 IonicContact OE2-NH2 2.63Å
107N95.5Very high95.2Very high37 Ų3747.3 Ų47.320%0.19824%0.236CC..  trans-89.4109.5175.2-177.514.6000109.6L44 V53 L109L44-N107 WeakPolarHBondContact CD2-OD1 3.42Å; V53-N107 WeakPolarHBondContact CG1-ND2 3.34Å; N107-L109 WeakPolarHBondContact ND2-CD2 3.5Å; N107-L109 PolarHBondContact O-N 3.4Å
108C95.6Very high95.3Very high13 Ų1351.9 Ų51.99%0.08826%0.256CS..  trans-83.394.7170.4-64.10000109H110 G111 L159 L160C108-H110 PolarHBondContact O-N 2.86Å; C108-G111 PolarHBondContact O-N 3.12Å; C108-L159 HydrophobicContact CB-CB 3.58Å; C108-L159 HydrophobicContact CB-CD1 3.94Å; C108-L159 HydrophobicContact CB-CG 4.36Å; C108-L160 CarbonylContact C-O 3.44Å
109L92.1Very high95.3Very high127 Ų12753.6 Ų53.667%0.66525%0.254SS*.THydrogen-bonded Turntrans-61.4-19.2-166.2-71.7165.6000115.4N107N107-L109 WeakPolarHBondContact ND2-CD2 3.5Å; N107-L109 PolarHBondContact O-N 3.4Å
110H94.4Very high95.2Very high82 Ų8248.9 Ų48.938%0.3824%0.237SC..THydrogen-bonded Turntrans-106.618.8-171.3-57.384.7000112.9C108 L160 R161 P163C108-H110 PolarHBondContact O-N 2.86Å; H110-L160 HydrophobicContact CB-CB 3.65Å; H110-L160 WeakPolarHBondContact CB-O 3.45Å; H110-L160 PolarHBondContact N-O 3.47Å; H110-L160 VanDerWaalsContact N-O 3.12Å; H110-R161 PolarHBondContact CE1-O 3.47Å; H110-R161 PolarHBondContact ND1-O 2.93Å; H110-P163 WeakPolarHBondContact NE2-CD 3.4Å
111G93.5Very high94.8Very high36 Ų3655.5 Ų55.537%0.37127%0.268SS..  trans73.2-148.6174.800000113C108 L159 L160C108-G111 PolarHBondContact O-N 3.12Å; G111-L159 CarbonylContact O-C 3.59Å; G111-L159 WeakPolarHBondContact O-CA 3.33Å; G111-L160 PolarHBondContact O-N 3.43Å
112D95.4Very high94.6Very high26 Ų2663.7 Ų63.714%0.13931%0.306CS..BIsolated β-bridgetrans-120.7163.9-177.962.966.8000112.1Y114 H115 Y116 E156 I158 L159D112-Y114 VanDerWaalsContact C-N 3.29Å; D112-Y114 PolarHBondContact O-N 2.92Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.34Å; D112-Y114 VanDerWaalsContact OD1-CB 3.27Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.35Å; D112-Y114 PolarHBondContact OD1-N 3.35Å; D112-H115 IonicContact OD1-CE1 3.47Å; D112-H115 IonicContact OD1-CG 2.61Å; D112-H115 PolarHBondContact OD1-N 2.79Å; D112-H115 IonicContact OD1-ND1 2.82Å; D112-H115 PolarHBondContact OD1-ND1 3.19Å; D112-H115 IonicContact OD2-CE1 3.95Å; D112-H115 PolarHBondContact OD2-CE1 3.45Å; D112-H115 IonicContact OD2-CG 3.9Å; D112-H115 IonicContact OD2-ND1 2.94Å; D112-H115 PolarHBondContact OD2-ND1 3.25Å; D112-Y116 PolarHBondContact O-N 3.17Å; D112-Y116 VanDerWaalsContact O-N 3.09Å; D112-E156 WeakPolarHBondContact CB-O 3.31Å; D112-I158 WeakPolarHBondContact CA-O 3.5Å; D112-L159 HydrophobicContact CB-CD2 3.87Å
113L96.4Very high94.4Very high0 Ų068 Ų680%033%0.329CS..Hα-helixtrans-68.1-26.1-178.8-74.2-178.4000113.5V117 I132 P155 I158 L160 L222L113-V117 WeakPolarHBondContact O-CG2 3.18Å; L113-V117 PolarHBondContact O-N 3.2Å; L113-I132 HydrophobicContact CD1-CD1 4.34Å; L113-I132 HydrophobicContact CD1-CG2 3.56Å; L113-I132 HydrophobicContact CD2-CD1 3.86Å; L113-P155 HydrophobicContact CB-CB 4.06Å; L113-P155 PolarHBondContact N-O 3.21Å; L113-I158 HydrophobicContact CD1-CB 3.79Å; L113-I158 HydrophobicContact CD1-CD1 4.2Å; L113-I158 HydrophobicContact CD1-CG2 3.39Å; L113-I158 HydrophobicContact CG-CB 4.17Å; L113-I158 HydrophobicContact CG-CG2 3.97Å; L113-I158 PolarHBondContact N-O 3.24Å; L113-L160 HydrophobicContact CD2-CD1 4.23Å; L113-L160 HydrophobicContact CD2-CD2 3.88Å; L113-L160 HydrophobicContact CD2-CG 4.21Å; L113-L222 HydrophobicContact CB-CD2 4.26Å; L113-L222 HydrophobicContact CD1-CD1 4.25Å; L113-L222 HydrophobicContact CD1-CD2 4.1Å
114Y96.1Very high94.3Very high66 Ų6668.7 Ų68.726%0.25933%0.332SS..Hα-helixtrans-63-55.8176177.2-91000110D112 Y116 V117 H118 P155 E156 Y221D112-Y114 VanDerWaalsContact C-N 3.29Å; D112-Y114 PolarHBondContact O-N 2.92Å; D112-Y114 WeakPolarHBondContact OD1-CA 3.34Å; D112-Y114 VanDerWaalsContact OD1-CB 3.27Å; D112-Y114 WeakPolarHBondContact OD1-CB 3.35Å; D112-Y114 PolarHBondContact OD1-N 3.35Å; Y114-Y116 VanDerWaalsContact C-N 3.27Å; Y114-Y116 PolarHBondContact O-N 3.36Å; Y114-V117 PolarHBondContact O-N 2.95Å; Y114-H118 HydrophobicContact CD1-CB 4.47Å; Y114-H118 HydrophobicContact CE1-CB 4.16Å; Y114-H118 WeakPolarHBondContact O-CB 3.26Å; Y114-H118 PolarHBondContact O-N 3.4Å; Y114-P155 PolarHBondContact N-O 2.63Å; Y114-E156 HydrophobicContact CD1-CG 4.46Å; Y114-E156 HydrophobicContact CD2-CG 4.32Å; Y114-E156 HydrophobicContact CG-CG 3.91Å; Y114-Y221 PolarHBondContact O-OH 2.87Å
115H94.4Very high94.2Very high91 Ų9172.1 Ų72.142%0.42136%0.355SS..Hα-helixtrans-63.1-37.8-180-70.482.1000111.1D112 Y119D112-H115 IonicContact OD1-CE1 3.47Å; D112-H115 IonicContact OD1-CG 2.61Å; D112-H115 PolarHBondContact OD1-N 2.79Å; D112-H115 IonicContact OD1-ND1 2.82Å; D112-H115 PolarHBondContact OD1-ND1 3.19Å; D112-H115 IonicContact OD2-CE1 3.95Å; D112-H115 PolarHBondContact OD2-CE1 3.45Å; D112-H115 IonicContact OD2-CG 3.9Å; D112-H115 IonicContact OD2-ND1 2.94Å; D112-H115 PolarHBondContact OD2-ND1 3.25Å; H115-Y119 HydrophobicContact CB-CD2 4.12Å; H115-Y119 HydrophobicContact CB-CE2 4.42Å; H115-Y119 AromaticContact CD2-CE2 3.52Å; H115-Y119 WeakPolarHBondContact O-CB 3.35Å; H115-Y119 VanDerWaalsContact O-CD2 3.32Å; H115-Y119 WeakPolarHBondContact O-CD2 3.4Å; H115-Y119 PolarHBondContact O-N 3.48Å; H115-Y119 VanDerWaalsContact O-N 3.13Å
116Y94.6Very high94.2Very high75 Ų7573.5 Ų73.529%0.29436%0.361SS..Hα-helixtrans-58.3-52.1175.8-171.5-78.6000111.3D112 Y114 N120 L124 L160 L164D112-Y116 PolarHBondContact O-N 3.17Å; D112-Y116 VanDerWaalsContact O-N 3.09Å; Y114-Y116 VanDerWaalsContact C-N 3.27Å; Y114-Y116 PolarHBondContact O-N 3.36Å; Y116-N120 WeakPolarHBondContact CD1-ND2 3.33Å; Y116-N120 VanDerWaalsContact CE1-ND2 3.29Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.44Å; Y116-N120 VanDerWaalsContact O-CB 3.31Å; Y116-N120 WeakPolarHBondContact O-CB 3.44Å; Y116-N120 PolarHBondContact O-N 3.28Å; Y116-N120 PolarHBondContact O-ND2 3.21Å; Y116-L124 HydrophobicContact CD1-CD2 4.07Å; Y116-L124 HydrophobicContact CE1-CD2 3.47Å; Y116-L124 VanDerWaalsContact CE1-CD2 3.47Å; Y116-L124 HydrophobicContact CE1-CG 4.34Å; Y116-L160 HydrophobicContact CD2-CD1 4Å; Y116-L160 HydrophobicContact CG-CD1 4.37Å; Y116-L164 HydrophobicContact CD1-CD1 4.03Å; Y116-L164 HydrophobicContact CD2-CD1 4.34Å; Y116-L164 HydrophobicContact CE1-CD1 3.68Å; Y116-L164 HydrophobicContact CE2-CB 4.33Å; Y116-L164 HydrophobicContact CE2-CD1 3.96Å; Y116-L164 HydrophobicContact CE2-CG 4.25Å; Y116-L164 HydrophobicContact CG-CD1 4.37Å
117V95.7Very high94.1Very high12 Ų1276.3 Ų76.37%0.07338%0.377CS..Hα-helixtrans-73.4-41.2-176.41740000111.5L113 Y114 Y119 L124 Y221 L222L113-V117 WeakPolarHBondContact O-CG2 3.18Å; L113-V117 PolarHBondContact O-N 3.2Å; Y114-V117 PolarHBondContact O-N 2.95Å; V117-Y119 VanDerWaalsContact C-N 3.35Å; V117-Y119 PolarHBondContact O-N 2.91Å; V117-L124 HydrophobicContact CG2-CD1 3.79Å; V117-L124 HydrophobicContact CG2-CG 4.29Å; V117-Y221 HydrophobicContact CB-CE1 3.72Å; V117-Y221 HydrophobicContact CG1-CD1 4.46Å; V117-Y221 HydrophobicContact CG1-CE1 3.83Å; V117-Y221 HydrophobicContact CG2-CE1 4.23Å; V117-L222 HydrophobicContact CG2-CD2 3.82Å
118H94.6Very high94.1Very high101 Ų10175.4 Ų75.447%0.46837%0.372SS..Hα-helixtrans-66.6-33.4-175.5-171.572.1000113.7Y114Y114-H118 HydrophobicContact CD1-CB 4.47Å; Y114-H118 HydrophobicContact CE1-CB 4.16Å; Y114-H118 WeakPolarHBondContact O-CB 3.26Å; Y114-H118 PolarHBondContact O-N 3.4Å
119Y93.4Very high94.2Very high164 Ų16474.8 Ų74.864%0.64337%0.368SS*.Hα-helixtrans-102.4-6.2-176-67.8-69.2000114.5H115 V117H115-Y119 HydrophobicContact CB-CD2 4.12Å; H115-Y119 HydrophobicContact CB-CE2 4.42Å; H115-Y119 AromaticContact CD2-CE2 3.52Å; H115-Y119 WeakPolarHBondContact O-CB 3.35Å; H115-Y119 VanDerWaalsContact O-CD2 3.32Å; H115-Y119 WeakPolarHBondContact O-CD2 3.4Å; H115-Y119 PolarHBondContact O-N 3.48Å; H115-Y119 VanDerWaalsContact O-N 3.13Å; V117-Y119 VanDerWaalsContact C-N 3.35Å; V117-Y119 PolarHBondContact O-N 2.91Å
120N91.3Very high94.5Very high75 Ų7569 Ų6940%0.40134%0.337SS..  trans-90.3136.7171.2-79.4-58000110.4Y116 E122Y116-N120 WeakPolarHBondContact CD1-ND2 3.33Å; Y116-N120 VanDerWaalsContact CE1-ND2 3.29Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.44Å; Y116-N120 VanDerWaalsContact O-CB 3.31Å; Y116-N120 WeakPolarHBondContact O-CB 3.44Å; Y116-N120 PolarHBondContact O-N 3.28Å; Y116-N120 PolarHBondContact O-ND2 3.21Å; N120-E122 VanDerWaalsContact C-N 3.33Å
121E87.3Confident94.6Very high203 Ų20368.4 Ų68.495%0.94934%0.335SS*.SBendtrans-71.3-30.8177.7-64-175.9174.500112.2
122E92.6Very high94.8Very high171 Ų17166.7 Ų66.780%0.79932%0.317SS*.SBendtrans-94.1133.1-179.3-65.1-176.4176.500111.3N120N120-E122 VanDerWaalsContact C-N 3.33Å
123L93.2Very high94.9Very high91 Ų9165.5 Ų65.548%0.47631%0.311SS..PPolyproline II helixtrans-65.6152.8171.7-66.3175.3000111.1P125 T224L123-P125 WeakPolarHBondContact O-CD 3.46Å; L123-T224 VanDerWaalsContact CD2-C 3.49Å
124L94.9Very high95Very high15 Ų1567.6 Ų67.68%0.07932%0.319CS..PPolyproline II helixtrans-65.6128.6175.9-72.1173.4000110.5Y116 V117 I128 V129 I132 L164 L222Y116-L124 HydrophobicContact CD1-CD2 4.07Å; Y116-L124 HydrophobicContact CE1-CD2 3.47Å; Y116-L124 VanDerWaalsContact CE1-CD2 3.47Å; Y116-L124 HydrophobicContact CE1-CG 4.34Å; V117-L124 HydrophobicContact CG2-CD1 3.79Å; V117-L124 HydrophobicContact CG2-CG 4.29Å; L124-I128 HydrophobicContact CD2-CG2 4.05Å; L124-V129 HydrophobicContact CB-CG2 3.61Å; L124-V129 HydrophobicContact CD1-CG2 4.28Å; L124-I132 HydrophobicContact CD1-CD1 3.96Å; L124-L164 HydrophobicContact CD2-CD1 3.51Å; L124-L222 HydrophobicContact CD1-CB 4.4Å; L124-L222 HydrophobicContact CD1-CD2 4.03Å
125P94.4Very high95.1Very high74 Ų7464.8 Ų64.848%0.48131%0.308SS..PPolyproline II helixtrans-57.3142.2169.3-25.135.1000110.8L123 N127 I128 V129L123-P125 WeakPolarHBondContact O-CD 3.46Å; P125-N127 WeakPolarHBondContact CB-OD1 3.39Å; P125-N127 PolarHBondContact O-N 3.34Å; P125-N127 VanDerWaalsContact O-N 3.12Å; P125-I128 HydrophobicContact CB-CG1 4.17Å; P125-I128 HydrophobicContact CG-CG1 4.29Å; P125-I128 WeakPolarHBondContact O-CA 3.46Å; P125-I128 WeakPolarHBondContact O-CB 3.43Å; P125-I128 PolarHBondContact O-N 2.9Å; P125-V129 PolarHBondContact O-N 3.48Å; P125-V129 VanDerWaalsContact O-N 3.12Å
126E95.8Very high95.3Very high51 Ų5160.5 Ų60.524%0.23829%0.288CS..Hα-helixtrans-56.6-35.3-173.7-165.5176.4120.200112.8I128 V129 I130 L223 S257 W286E126-I128 VanDerWaalsContact C-N 3.3Å; E126-I128 PolarHBondContact O-N 3.42Å; E126-V129 PolarHBondContact O-N 3.3Å; E126-I130 HydrophobicContact CG-CD1 4.33Å; E126-I130 VanDerWaalsContact O-CG1 3.27Å; E126-I130 WeakPolarHBondContact O-CG1 3.33Å; E126-I130 PolarHBondContact O-N 3.07Å; E126-L223 HydrophobicContact CG-CD2 4.2Å; E126-S257 VanDerWaalsContact CD-OG 3.27Å; E126-S257 VanDerWaalsContact OE1-CB 3.26Å; E126-S257 WeakPolarHBondContact OE1-CB 3.47Å; E126-S257 PolarHBondContact OE1-OG 2.91Å; E126-S257 VanDerWaalsContact OE2-CB 3.24Å; E126-S257 WeakPolarHBondContact OE2-CB 3.33Å; E126-S257 PolarHBondContact OE2-N 2.73Å; E126-S257 PolarHBondContact OE2-OG 3.47Å; E126-W286 HydrophobicContact CG-CZ2 3.7Å; E126-W286 PolarHBondContact OE1-NE1 3.04Å
127N95Very high95.5Very high93 Ų9356.9 Ų56.950%0.49727%0.274SS..Hα-helixtrans-64-33175.665.5-56000112.9P125 E131P125-N127 WeakPolarHBondContact CB-OD1 3.39Å; P125-N127 PolarHBondContact O-N 3.34Å; P125-N127 VanDerWaalsContact O-N 3.12Å; N127-E131 PolarHBondContact O-N 2.82Å; N127-E131 VanDerWaalsContact O-N 3.13Å
128I96Very high95.6Very high17 Ų1760.5 Ų60.59%0.08729%0.288CS..Hα-helixtrans-73.1-40.8174.9-55.9-55.8000110.5L124 P125 E126 I130 E131 I132 L164 P165L124-I128 HydrophobicContact CD2-CG2 4.05Å; P125-I128 HydrophobicContact CB-CG1 4.17Å; P125-I128 HydrophobicContact CG-CG1 4.29Å; P125-I128 WeakPolarHBondContact O-CA 3.46Å; P125-I128 WeakPolarHBondContact O-CB 3.43Å; P125-I128 PolarHBondContact O-N 2.9Å; E126-I128 VanDerWaalsContact C-N 3.3Å; E126-I128 PolarHBondContact O-N 3.42Å; I128-I130 VanDerWaalsContact C-N 3.3Å; I128-I130 PolarHBondContact O-N 3.02Å; I128-E131 PolarHBondContact O-N 2.91Å; I128-I132 HydrophobicContact CG2-CD1 4.18Å; I128-I132 WeakPolarHBondContact O-CG1 3.46Å; I128-I132 PolarHBondContact O-N 3.2Å; I128-L164 HydrophobicContact CG2-CB 4.5Å; I128-L164 HydrophobicContact CG2-CD1 3.94Å; I128-L164 HydrophobicContact CG2-CD2 3.96Å; I128-L164 HydrophobicContact CG2-CG 4.36Å; I128-P165 HydrophobicContact CD1-CB 3.44Å; I128-P165 VanDerWaalsContact CD1-CB 3.44Å
129V97.3Very high95.8Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-59.7-42.9173.4-179.90000110.7L124 P125 E126 E131 I132 L133 L222 L223 W286L124-V129 HydrophobicContact CB-CG2 3.61Å; L124-V129 HydrophobicContact CD1-CG2 4.28Å; P125-V129 PolarHBondContact O-N 3.48Å; P125-V129 VanDerWaalsContact O-N 3.12Å; E126-V129 PolarHBondContact O-N 3.3Å; V129-E131 PolarHBondContact O-N 2.92Å; V129-I132 PolarHBondContact O-N 3.17Å; V129-L133 HydrophobicContact CG1-CD1 3.83Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.25Å; V129-L133 WeakPolarHBondContact O-CG 3.46Å; V129-L133 PolarHBondContact O-N 2.87Å; V129-L222 HydrophobicContact CG1-CB 3.97Å; V129-L222 HydrophobicContact CG1-CD1 4.28Å; V129-L222 HydrophobicContact CG2-CB 4.08Å; V129-L223 HydrophobicContact CB-CD2 4.12Å; V129-L223 HydrophobicContact CG1-CD2 4.01Å; V129-L223 HydrophobicContact CG1-CG 4.2Å; V129-L223 HydrophobicContact CG2-CD2 3.95Å; V129-W286 HydrophobicContact CG1-CH2 4.28Å
130I97.3Very high96.1Very high6 Ų647.9 Ų47.93%0.03124%0.236CC..Hα-helixtrans-59.1-46.1175.5-70.8164.7000111E126 I128 I132 L133 R134 W286 L287 A290E126-I130 HydrophobicContact CG-CD1 4.33Å; E126-I130 VanDerWaalsContact O-CG1 3.27Å; E126-I130 WeakPolarHBondContact O-CG1 3.33Å; E126-I130 PolarHBondContact O-N 3.07Å; I128-I130 VanDerWaalsContact C-N 3.3Å; I128-I130 PolarHBondContact O-N 3.02Å; I130-I132 PolarHBondContact O-N 3.03Å; I130-L133 PolarHBondContact O-N 2.71Å; I130-R134 HydrophobicContact CG2-CG 4.27Å; I130-R134 VanDerWaalsContact O-CG 3.24Å; I130-R134 WeakPolarHBondContact O-CG 3.44Å; I130-R134 PolarHBondContact O-N 2.93Å; I130-W286 HydrophobicContact CD1-CZ2 4.2Å; I130-W286 WeakPolarHBondContact CD1-O 3.29Å; I130-W286 HydrophobicContact CG1-CD2 4.33Å; I130-W286 HydrophobicContact CG1-CH2 4.12Å; I130-W286 HydrophobicContact CG1-CZ2 3.72Å; I130-L287 HydrophobicContact CB-CD2 4.19Å; I130-L287 HydrophobicContact CG1-CD2 4.13Å; I130-L287 HydrophobicContact CG2-CD2 3.88Å; I130-A290 HydrophobicContact CB-CB 4.23Å; I130-A290 HydrophobicContact CD1-CB 3.79Å; I130-A290 HydrophobicContact CG2-CB 3.78Å
131E96.6Very high96.4Very high70 Ų7045.3 Ų45.333%0.32722%0.223SC..Hα-helixtrans-62.7-44.5179.8-175.351.5-142.900112.2N127 I128 V129 L133 R134 Q135 C167N127-E131 PolarHBondContact O-N 2.82Å; N127-E131 VanDerWaalsContact O-N 3.13Å; I128-E131 PolarHBondContact O-N 2.91Å; V129-E131 PolarHBondContact O-N 2.92Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.15Å; E131-R134 PolarHBondContact O-N 3.38Å; E131-Q135 WeakPolarHBondContact O-CG 3.35Å; E131-Q135 PolarHBondContact O-N 3.06Å; E131-Q135 PolarHBondContact OE1-NE2 2.83Å; E131-C167 HydrophobicContact CG-CB 3.89Å
132I98.1Very high96.9Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-55.6-50.2173.2-69.7165.5000110.5L113 L124 I128 V129 I130 R134 Q135 L136 L164 C167 I169 L222L113-I132 HydrophobicContact CD1-CD1 4.34Å; L113-I132 HydrophobicContact CD1-CG2 3.56Å; L113-I132 HydrophobicContact CD2-CD1 3.86Å; L124-I132 HydrophobicContact CD1-CD1 3.96Å; I128-I132 HydrophobicContact CG2-CD1 4.18Å; I128-I132 WeakPolarHBondContact O-CG1 3.46Å; I128-I132 PolarHBondContact O-N 3.2Å; V129-I132 PolarHBondContact O-N 3.17Å; I130-I132 PolarHBondContact O-N 3.03Å; I132-R134 PolarHBondContact O-N 3.04Å; I132-Q135 PolarHBondContact O-N 3.34Å; I132-L136 PolarHBondContact O-N 3.26Å; I132-L164 HydrophobicContact CD1-CD1 4.29Å; I132-L164 HydrophobicContact CD1-CD2 4.37Å; I132-L164 HydrophobicContact CG1-CD2 4.49Å; I132-C167 WeakPolarHBondContact CG1-SG 3.33Å; I132-I169 HydrophobicContact CG1-CG2 4.38Å; I132-I169 HydrophobicContact CG2-CG2 4.37Å; I132-L222 HydrophobicContact CD1-CD1 4.49Å; I132-L222 HydrophobicContact CG2-CD1 3.85Å
133L98.2Very high97.2Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-67-36.2-175.7-71.7175.6000112.7V129 I130 E131 Q135 L136 L137 V215 V219 F263 W286 L287V129-L133 HydrophobicContact CG1-CD1 3.83Å; V129-L133 HydrophobicContact CG1-CG 4.24Å; V129-L133 WeakPolarHBondContact O-CB 3.38Å; V129-L133 VanDerWaalsContact O-CG 3.25Å; V129-L133 WeakPolarHBondContact O-CG 3.46Å; V129-L133 PolarHBondContact O-N 2.87Å; I130-L133 PolarHBondContact O-N 2.71Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.15Å; L133-Q135 VanDerWaalsContact C-N 3.29Å; L133-Q135 PolarHBondContact O-N 2.95Å; L133-L136 HydrophobicContact CD2-CD2 4.29Å; L133-L136 PolarHBondContact O-N 2.99Å; L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.25Å; L133-L137 PolarHBondContact O-N 2.92Å; L133-V215 HydrophobicContact CD2-CG1 4.31Å; L133-V219 HydrophobicContact CD1-CB 4.32Å; L133-V219 HydrophobicContact CD1-CG1 4.12Å; L133-V219 HydrophobicContact CD1-CG2 3.54Å; L133-V219 HydrophobicContact CD2-CG2 3.66Å; L133-V219 HydrophobicContact CG-CG2 4.26Å; L133-F263 HydrophobicContact CD1-CE1 4.32Å; L133-W286 HydrophobicContact CD1-CH2 3.72Å; L133-W286 HydrophobicContact CD1-CZ3 3.55Å; L133-L287 HydrophobicContact CB-CD2 3.83Å; L133-L287 HydrophobicContact CD1-CD2 4.24Å
134R97.9Very high97.4Very high44 Ų4425.5 Ų25.517%0.16613%0.128CC..Hα-helixtrans-60.5-41.4174.8-72.9176.269.168.27.7111.2I130 E131 I132 K138 F282 L287I130-R134 HydrophobicContact CG2-CG 4.27Å; I130-R134 VanDerWaalsContact O-CG 3.24Å; I130-R134 WeakPolarHBondContact O-CG 3.44Å; I130-R134 PolarHBondContact O-N 2.93Å; E131-R134 PolarHBondContact O-N 3.38Å; I132-R134 PolarHBondContact O-N 3.04Å; R134-K138 WeakPolarHBondContact O-CG 3.31Å; R134-K138 PolarHBondContact O-N 3.23Å; R134-K138 VanDerWaalsContact O-N 3.14Å; R134-F282 HydrophobicContact CB-CE2 4.15Å; R134-F282 WeakPolarHBondContact O-CE2 3.41Å; R134-L287 HydrophobicContact CG-CB 4.36Å; R134-L287 HydrophobicContact CG-CD2 4.33Å; R134-L287 PolarHBondContact NH1-O 3.36Å
135Q98.2Very high97.5Very high8 Ų828.7 Ų28.74%0.03715%0.152CC..Hα-helixtrans-72.2-42.7177.6-64.3-176.142.400112.3H87 E131 I132 L133 L137 K138 A139 C167 I169H87-Q135 VanDerWaalsContact CE1-CG 3.45Å; H87-Q135 WeakPolarHBondContact CE1-CG 3.35Å; H87-Q135 PolarHBondContact CE1-OE1 3.38Å; H87-Q135 VanDerWaalsContact CE1-OE1 3.29Å; H87-Q135 PolarHBondContact ND1-OE1 2.83Å; H87-Q135 VanDerWaalsContact ND1-OE1 3.15Å; E131-Q135 WeakPolarHBondContact O-CG 3.35Å; E131-Q135 PolarHBondContact O-N 3.06Å; E131-Q135 PolarHBondContact OE1-NE2 2.83Å; I132-Q135 PolarHBondContact O-N 3.34Å; L133-Q135 VanDerWaalsContact C-N 3.29Å; L133-Q135 PolarHBondContact O-N 2.95Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 3.26Å; Q135-K138 WeakPolarHBondContact O-CB 3.33Å; Q135-K138 PolarHBondContact O-N 3.09Å; Q135-A139 PolarHBondContact O-N 3.27Å; Q135-A139 VanDerWaalsContact O-N 3.1Å; Q135-C167 PolarHBondContact NE2-O 3.47Å; Q135-I169 HydrophobicContact CB-CD1 4.02Å; Q135-I169 HydrophobicContact CB-CG1 3.41Å; Q135-I169 VanDerWaalsContact CB-CG1 3.41Å; Q135-I169 HydrophobicContact CG-CG1 4.44Å
136L98.7Very high97.7Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-57.9-47.4174.3179.360.8000111I132 L133 K138 A139 V140 I153 I158 L171 V215 V218I132-L136 PolarHBondContact O-N 3.26Å; L133-L136 HydrophobicContact CD2-CD2 4.29Å; L133-L136 PolarHBondContact O-N 2.99Å; L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 2.9Å; L136-A139 WeakPolarHBondContact O-CB 3.1Å; L136-A139 PolarHBondContact O-N 3.45Å; L136-V140 HydrophobicContact CD1-CG2 4.09Å; L136-V140 HydrophobicContact CG-CG2 4.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.31Å; L136-I153 HydrophobicContact CD1-CG2 4.46Å; L136-I153 HydrophobicContact CD2-CG2 4.43Å; L136-I158 HydrophobicContact CD1-CD1 4.16Å; L136-I158 HydrophobicContact CD1-CG1 4.26Å; L136-I158 HydrophobicContact CD2-CD1 3.86Å; L136-L171 HydrophobicContact CD1-CD1 4.29Å; L136-V215 HydrophobicContact CD2-CG1 4.3Å; L136-V215 HydrophobicContact CD2-CG2 4.15Å; L136-V218 HydrophobicContact CD2-CG1 4.41Å
137L98.7Very high97.7Very high0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-66.8-29179.5-72.6168000112.9L133 Q135 S141 V215 F263 C281 F282 L287L133-L137 VanDerWaalsContact O-CB 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 VanDerWaalsContact O-CG 3.24Å; L133-L137 WeakPolarHBondContact O-CG 3.25Å; L133-L137 PolarHBondContact O-N 2.92Å; Q135-L137 VanDerWaalsContact C-N 3.34Å; Q135-L137 PolarHBondContact O-N 3.26Å; L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 3.07Å; L137-S141 PolarHBondContact O-OG 3.4Å; L137-V215 HydrophobicContact CD2-CG1 4.22Å; L137-F263 HydrophobicContact CD1-CZ 4.2Å; L137-C281 HydrophobicContact CD1-CB 3.77Å; L137-C281 HydrophobicContact CD2-CB 3.61Å; L137-C281 HydrophobicContact CG-CB 4.34Å; L137-F282 HydrophobicContact CB-CB 4.24Å; L137-F282 HydrophobicContact CB-CD2 4.14Å; L137-L287 HydrophobicContact CD1-CD1 3.4Å
138K98.3Very high97.8Very high87 Ų8724.7 Ų24.738%0.37813%0.128SC..Hα-helixtrans-65.3-41.3168.8-76.5171.2179174.10111.9N85 R134 Q135 L136 F142 F282N85-K138 PolarHBondContact ND2-O 2.99Å; N85-K138 VanDerWaalsContact ND2-O 3.13Å; R134-K138 WeakPolarHBondContact O-CG 3.31Å; R134-K138 PolarHBondContact O-N 3.23Å; R134-K138 VanDerWaalsContact O-N 3.14Å; Q135-K138 WeakPolarHBondContact O-CB 3.33Å; Q135-K138 PolarHBondContact O-N 3.09Å; L136-K138 VanDerWaalsContact C-N 3.3Å; L136-K138 PolarHBondContact O-N 2.9Å; K138-F142 WeakPolarHBondContact O-CB 3.27Å; K138-F142 PolarHBondContact O-N 3.01Å; K138-F142 VanDerWaalsContact O-N 3.16Å; K138-F282 HydrophobicContact CD-CE2 4.19Å; K138-F282 HydrophobicContact CG-CD2 4.16Å; K138-F282 HydrophobicContact CG-CE2 3.68Å; K138-F282 HydrophobicContact CG-CZ 4.31Å
139A98.7Very high97.9Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-65.1-49.4175.400000111.3H87 I88 Q135 L136 F142 I143 L171H87-A139 HydrophobicContact CB-CB 3.97Å; I88-A139 HydrophobicContact CG1-CB 3.93Å; Q135-A139 PolarHBondContact O-N 3.27Å; Q135-A139 VanDerWaalsContact O-N 3.1Å; L136-A139 WeakPolarHBondContact O-CB 3.1Å; L136-A139 PolarHBondContact O-N 3.45Å; A139-F142 WeakPolarHBondContact O-CB 3.13Å; A139-F142 PolarHBondContact O-N 3.29Å; A139-I143 PolarHBondContact O-N 3.43Å; A139-I143 VanDerWaalsContact O-N 3.08Å; A139-L171 HydrophobicContact CB-CB 4.26Å; A139-L171 HydrophobicContact CB-CD2 4.3Å
140V98.8Very high97.9Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-63.7-46.9-178.9178.10000111.1L136 F142 I143 H144 I153 D211 I212 V215 A278L136-V140 HydrophobicContact CD1-CG2 4.09Å; L136-V140 HydrophobicContact CG-CG2 4.28Å; L136-V140 WeakPolarHBondContact O-CG2 3.34Å; L136-V140 PolarHBondContact O-N 3.31Å; V140-F142 PolarHBondContact O-N 3.44Å; V140-I143 WeakPolarHBondContact O-CG1 3.31Å; V140-I143 PolarHBondContact O-N 2.84Å; V140-H144 WeakPolarHBondContact CG1-CE1 3.45Å; V140-H144 WeakPolarHBondContact CG1-NE2 3.48Å; V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.47Å; V140-H144 PolarHBondContact O-CD2 2.87Å; V140-H144 VanDerWaalsContact O-CG 3.23Å; V140-H144 PolarHBondContact O-N 2.91Å; V140-I153 HydrophobicContact CG2-CD1 3.61Å; V140-D211 HydrophobicContact CG1-CB 4.38Å; V140-I212 HydrophobicContact CG1-CD1 4.35Å; V140-V215 HydrophobicContact CG2-CG2 4.37Å; V140-A278 HydrophobicContact CB-CB 4.41Å; V140-A278 HydrophobicContact CG1-CB 3.89Å
141S98.5Very high97.9Very high21 Ų2124 Ų2415%0.14712%0.124CC..Hα-helixtrans-58.4-38.4175.7-62.20000111.9L137 S145 A278 V279L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 3.07Å; L137-S141 PolarHBondContact O-OG 3.4Å; S141-S145 WeakPolarHBondContact O-CB 3.37Å; S141-S145 PolarHBondContact O-N 3.34Å; S141-A278 VanDerWaalsContact OG-C 3.27Å; S141-A278 WeakPolarHBondContact OG-CB 3.47Å; S141-A278 PolarHBondContact OG-O 3.23Å; S141-V279 PolarHBondContact OG-N 2.84Å
142F98.6Very high98Very high29 Ų2921.4 Ų21.413%0.12711%0.113CC..Hα-helixtrans-64-51177.3169.4-94.6000111.9I81 Q84 N85 I88 K138 A139 V140 H144 S145 K146I81-F142 HydrophobicContact CG2-CE1 4.22Å; I81-F142 HydrophobicContact CG2-CZ 4.25Å; I81-F142 WeakPolarHBondContact O-CE1 3.49Å; I81-F142 VanDerWaalsContact O-CZ 3.31Å; I81-F142 WeakPolarHBondContact O-CZ 3.48Å; Q84-F142 HydrophobicContact CB-CE2 3.79Å; Q84-F142 HydrophobicContact CB-CZ 3.66Å; Q84-F142 HydrophobicContact CG-CZ 4.45Å; N85-F142 HydrophobicContact CB-CB 4.19Å; N85-F142 HydrophobicContact CB-CD1 3.66Å; N85-F142 HydrophobicContact CB-CD2 4.17Å; N85-F142 HydrophobicContact CB-CE1 4.1Å; N85-F142 HydrophobicContact CB-CG 3.72Å; N85-F142 WeakPolarHBondContact ND2-CB 3.48Å; I88-F142 HydrophobicContact CD1-CD1 3.75Å; I88-F142 HydrophobicContact CD1-CE1 4.18Å; K138-F142 WeakPolarHBondContact O-CB 3.27Å; K138-F142 PolarHBondContact O-N 3.01Å; K138-F142 VanDerWaalsContact O-N 3.16Å; A139-F142 WeakPolarHBondContact O-CB 3.13Å; A139-F142 PolarHBondContact O-N 3.29Å; V140-F142 PolarHBondContact O-N 3.44Å; F142-H144 VanDerWaalsContact C-N 3.31Å; F142-H144 PolarHBondContact O-N 3.15Å; F142-S145 WeakPolarHBondContact O-CB 3.39Å; F142-S145 PolarHBondContact O-N 3.49Å; F142-S145 PolarHBondContact O-OG 3.13Å; F142-K146 HydrophobicContact CZ-CG 4.43Å; F142-K146 PolarHBondContact O-N 3.31Å
143I98.2Very high98Very high2 Ų221.4 Ų21.41%0.0111%0.113CC..Hα-helixtrans-66.7-35.7-18062.4172.7000111.4I88 A139 V140 S145 K146 S147 I148 H150 F174I88-I143 HydrophobicContact CD1-CG2 3.57Å; A139-I143 PolarHBondContact O-N 3.43Å; A139-I143 VanDerWaalsContact O-N 3.08Å; V140-I143 WeakPolarHBondContact O-CG1 3.31Å; V140-I143 PolarHBondContact O-N 2.84Å; I143-S145 VanDerWaalsContact C-N 3.33Å; I143-S145 PolarHBondContact O-N 2.85Å; I143-K146 CarbonylContact O-C 3.55Å; I143-K146 WeakPolarHBondContact O-CA 3.38Å; I143-K146 WeakPolarHBondContact O-CB 3.45Å; I143-K146 PolarHBondContact O-N 3.44Å; I143-S147 PolarHBondContact O-N 3.09Å; I143-I148 CarbonylContact C-O 3.57Å; I143-I148 HydrophobicContact CB-CB 4.13Å; I143-I148 HydrophobicContact CB-CG2 4.3Å; I143-I148 WeakPolarHBondContact O-CB 3.47Å; I143-I148 PolarHBondContact O-N 2.94Å; I143-H150 HydrophobicContact CD1-CB 3.89Å; I143-F174 HydrophobicContact CD1-CE1 4.34Å; I143-F174 HydrophobicContact CG2-CE1 4.04Å; I143-F174 HydrophobicContact CG2-CZ 4.41Å
144H97.9Very high98Very high18 Ų1822.6 Ų22.68%0.08312%0.118CC..Hα-helixtrans-63.3-37.7174.3-73.9-169.3000112V140 F142 K146 S147 I148 L208 D211V140-H144 WeakPolarHBondContact CG1-CE1 3.45Å; V140-H144 WeakPolarHBondContact CG1-NE2 3.48Å; V140-H144 VanDerWaalsContact O-CB 3.31Å; V140-H144 WeakPolarHBondContact O-CB 3.47Å; V140-H144 PolarHBondContact O-CD2 2.87Å; V140-H144 VanDerWaalsContact O-CG 3.23Å; V140-H144 PolarHBondContact O-N 2.91Å; F142-H144 VanDerWaalsContact C-N 3.31Å; F142-H144 PolarHBondContact O-N 3.15Å; H144-K146 PolarHBondContact O-N 3.45Å; H144-K146 VanDerWaalsContact O-N 3.16Å; H144-S147 WeakPolarHBondContact O-CA 3.43Å; H144-S147 PolarHBondContact O-N 3.2Å; H144-I148 PolarHBondContact CD2-O 3.23Å; H144-I148 VanDerWaalsContact CD2-O 3.28Å; H144-L208 HydrophobicContact CB-CD1 4.19Å; H144-L208 HydrophobicContact CB-CD2 4.34Å; H144-L208 PolarHBondContact CE1-O 3.11Å; H144-L208 PolarHBondContact NE2-O 3.19Å; H144-D211 IonicContact CD2-OD2 3.53Å; H144-D211 IonicContact CE1-OD2 3.61Å; H144-D211 IonicContact NE2-OD2 2.78Å; H144-D211 PolarHBondContact NE2-OD2 3.43Å
145S97.3Very high98Very high83 Ų8320.5 Ų20.558%0.5811%0.11SC*.Hα-helixtrans-62.7-20.4173.981.60000113.4S141 F142 I143S141-S145 WeakPolarHBondContact O-CB 3.37Å; S141-S145 PolarHBondContact O-N 3.34Å; F142-S145 WeakPolarHBondContact O-CB 3.39Å; F142-S145 PolarHBondContact O-N 3.49Å; F142-S145 PolarHBondContact O-OG 3.13Å; I143-S145 VanDerWaalsContact C-N 3.33Å; I143-S145 PolarHBondContact O-N 2.85Å
146K96.6Very high97.9Very high81 Ų8122.8 Ų22.835%0.35212%0.121SC..THydrogen-bonded Turntrans-96.210.3174-54.6-62.6179.3175.30112.3I81 F142 I143 H144 I148 H179I81-K146 HydrophobicContact CG2-CG 4.06Å; F142-K146 HydrophobicContact CZ-CG 4.43Å; F142-K146 PolarHBondContact O-N 3.31Å; I143-K146 CarbonylContact O-C 3.55Å; I143-K146 WeakPolarHBondContact O-CA 3.38Å; I143-K146 WeakPolarHBondContact O-CB 3.45Å; I143-K146 PolarHBondContact O-N 3.44Å; H144-K146 PolarHBondContact O-N 3.45Å; H144-K146 VanDerWaalsContact O-N 3.16Å; K146-I148 HydrophobicContact CB-CD1 3.86Å; K146-I148 HydrophobicContact CB-CG1 4.18Å; K146-I148 PolarHBondContact O-N 2.73Å; K146-H179 PolarHBondContact O-NE2 3.03Å
147S96.4Very high97.8Very high49 Ų4923.4 Ų23.434%0.34312%0.124SC..THydrogen-bonded Turntrans56.833.5-173.8-51.60000113.2I143 H144 H179 L180I143-S147 PolarHBondContact O-N 3.09Å; H144-S147 WeakPolarHBondContact O-CA 3.43Å; H144-S147 PolarHBondContact O-N 3.2Å; S147-H179 CarbonylContact O-C 3.53Å; S147-H179 WeakPolarHBondContact O-CA 3.05Å; S147-L180 WeakPolarHBondContact CB-O 3.34Å; S147-L180 PolarHBondContact O-N 3.31Å
148I97.2Very high97.8Very high3 Ų323.4 Ų23.42%0.01512%0.124CC..EExtended strand (participates in β ladder)trans-104.3133.5175.8-62.8164.4000108.6M78 I81 I143 H144 K146 A177 K178M78-I148 HydrophobicContact SD-CD1 3.58Å; M78-I148 VanDerWaalsContact SD-CD1 3.58Å; M78-I148 HydrophobicContact SD-CG1 3.85Å; M78-I148 HydrophobicContact SD-CG2 4.01Å; I81-I148 HydrophobicContact CD1-CD1 3.95Å; I81-I148 HydrophobicContact CG2-CD1 4.07Å; I143-I148 CarbonylContact C-O 3.57Å; I143-I148 HydrophobicContact CB-CB 4.13Å; I143-I148 HydrophobicContact CB-CG2 4.3Å; I143-I148 WeakPolarHBondContact O-CB 3.47Å; I143-I148 PolarHBondContact O-N 2.94Å; H144-I148 PolarHBondContact CD2-O 3.23Å; H144-I148 VanDerWaalsContact CD2-O 3.28Å; K146-I148 HydrophobicContact CB-CD1 3.86Å; K146-I148 HydrophobicContact CB-CG1 4.18Å; K146-I148 PolarHBondContact O-N 2.73Å; I148-A177 HydrophobicContact CG2-CB 4.27Å; I148-K178 WeakPolarHBondContact CA-O 3.29Å
149V97.7Very high97.8Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-109.3137.2169.762.30000109L151 A177 K178 L180 I206 L208 D211V149-L151 HydrophobicContact CB-CD2 4.48Å; V149-L151 HydrophobicContact CB-CG 4.45Å; V149-L151 HydrophobicContact CG1-CD1 4.06Å; V149-L151 HydrophobicContact CG1-CD2 4.14Å; V149-L151 HydrophobicContact CG1-CG 3.91Å; V149-L151 HydrophobicContact CG2-CD2 3.55Å; V149-L151 HydrophobicContact CG2-CG 3.89Å; V149-A177 CarbonylContact O-C 3.52Å; V149-A177 WeakPolarHBondContact O-CA 3.33Å; V149-A177 WeakPolarHBondContact O-CB 3.4Å; V149-K178 HydrophobicContact CG1-CB 4.05Å; V149-K178 PolarHBondContact N-O 2.97Å; V149-K178 PolarHBondContact O-N 3.49Å; V149-L180 HydrophobicContact CB-CD1 4.32Å; V149-L180 HydrophobicContact CB-CG 4.43Å; V149-L180 HydrophobicContact CG1-CD1 4.25Å; V149-L180 HydrophobicContact CG1-CD2 3.92Å; V149-L180 HydrophobicContact CG1-CG 3.98Å; V149-I206 HydrophobicContact CG1-CG2 3.98Å; V149-I206 HydrophobicContact CG2-CG2 4.25Å; V149-L208 HydrophobicContact CB-CD2 4.48Å; V149-D211 WeakPolarHBondContact CA-OD2 3.41Å; V149-D211 WeakPolarHBondContact CG2-OD1 3.38Å; V149-D211 WeakPolarHBondContact CG2-OD2 3.27Å
150H98.1Very high97.7Very high0 Ų021 Ų210%012%0.115CC..  trans-81.2-45.2-174.6-170.7-89.8000112.9I143 D152 I153 C172 D173 F174 L176 A177 D211I143-H150 HydrophobicContact CD1-CB 3.89Å; H150-D152 PolarHBondContact CE1-O 2.64Å; H150-D152 VanDerWaalsContact ND1-C 3.28Å; H150-D152 PolarHBondContact ND1-N 3.15Å; H150-D152 PolarHBondContact ND1-O 3.1Å; H150-D152 PolarHBondContact O-N 3.29Å; H150-D152 VanDerWaalsContact O-N 3.17Å; H150-I153 HydrophobicContact CB-CD1 4.21Å; H150-I153 HydrophobicContact CB-CG1 3.87Å; H150-I153 PolarHBondContact ND1-N 3.02Å; H150-C172 PolarHBondContact CE1-O 3.14Å; H150-C172 PolarHBondContact NE2-O 3.1Å; H150-D173 PolarHBondContact CE1-O 3.27Å; H150-D173 PolarHBondContact NE2-O 2.82Å; H150-D173 VanDerWaalsContact NE2-O 3.15Å; H150-F174 AromaticContact CD2-CD1 3.83Å; H150-F174 AromaticContact CD2-CE1 3.69Å; H150-F174 AromaticContact CD2-CZ 3.91Å; H150-L176 CarbonylContact O-C 3.46Å; H150-A177 PolarHBondContact O-N 3.36Å; H150-D211 PolarHBondContact N-OD1 2.92Å; H150-D211 PolarHBondContact N-OD2 3.16Å
151L98Very high97.6Very high9 Ų922.9 Ų22.95%0.04712%0.122CC..SBendtrans67.4-2178-56.6175.6000117.4V149 L176 K178 V190 I206 T210 D211V149-L151 HydrophobicContact CB-CD2 4.48Å; V149-L151 HydrophobicContact CB-CG 4.45Å; V149-L151 HydrophobicContact CG1-CD1 4.06Å; V149-L151 HydrophobicContact CG1-CD2 4.14Å; V149-L151 HydrophobicContact CG1-CG 3.91Å; V149-L151 HydrophobicContact CG2-CD2 3.55Å; V149-L151 HydrophobicContact CG2-CG 3.89Å; L151-L176 HydrophobicContact CB-CB 4.33Å; L151-K178 HydrophobicContact CD1-CB 4.5Å; L151-K178 HydrophobicContact CD1-CD 3.88Å; L151-K178 HydrophobicContact CD1-CG 4.07Å; L151-V190 HydrophobicContact CB-CG2 4.11Å; L151-V190 HydrophobicContact CD1-CG2 4.02Å; L151-I206 HydrophobicContact CD1-CD1 3.98Å; L151-I206 HydrophobicContact CD2-CD1 4.14Å; L151-I206 HydrophobicContact CD2-CG2 3.7Å; L151-T210 HydrophobicContact CD2-CG2 3.79Å; L151-D211 PolarHBondContact N-OD1 3.29Å
152D97.4Very high97.4Very high15 Ų1529 Ų298%0.0814%0.142CC..  trans-138.642.7174.1-154.338.6000112.3H150 K154 N157 L176 T192H150-D152 PolarHBondContact CE1-O 2.64Å; H150-D152 VanDerWaalsContact ND1-C 3.28Å; H150-D152 PolarHBondContact ND1-N 3.15Å; H150-D152 PolarHBondContact ND1-O 3.1Å; H150-D152 PolarHBondContact O-N 3.29Å; H150-D152 VanDerWaalsContact O-N 3.17Å; D152-K154 PolarHBondContact O-N 3.25Å; D152-K154 IonicContact OD1-NZ 3.02Å; D152-K154 PolarHBondContact OD1-NZ 3.13Å; D152-K154 VanDerWaalsContact OD2-CE 3.29Å; D152-K154 WeakPolarHBondContact OD2-CE 3.45Å; D152-K154 IonicContact OD2-NZ 3.78Å; D152-K154 PolarHBondContact OD2-NZ 3.13Å; D152-K154 VanDerWaalsContact OD2-NZ 3.16Å; D152-N157 PolarHBondContact O-ND2 3.12Å; D152-N157 PolarHBondContact OD2-ND2 2.82Å; D152-L176 HydrophobicContact CB-CD1 3.88Å; D152-T192 PolarHBondContact OD1-N 3.43Å
153I98.7Very high97.1Very high0 Ų030.3 Ų30.30%015%0.154CC..  trans-74.3119.6173.7-61.6178.4000108.6L136 V140 H150 L171 D211 S214 V215 V218L136-I153 HydrophobicContact CD1-CG2 4.46Å; L136-I153 HydrophobicContact CD2-CG2 4.43Å; V140-I153 HydrophobicContact CG2-CD1 3.61Å; H150-I153 HydrophobicContact CB-CD1 4.21Å; H150-I153 HydrophobicContact CB-CG1 3.87Å; H150-I153 PolarHBondContact ND1-N 3.02Å; I153-L171 HydrophobicContact CG1-CD1 4.45Å; I153-D211 HydrophobicContact CD1-CB 3.69Å; I153-S214 WeakPolarHBondContact O-CB 3.32Å; I153-V215 HydrophobicContact CD1-CG2 4.18Å; I153-V215 HydrophobicContact CG2-CG2 4.31Å; I153-V218 HydrophobicContact CG2-CG2 4.26Å
154K97.8Very high96.7Very high25 Ų2531.3 Ų31.311%0.10916%0.159CC..SBendtrans-162163178.560-175.5172.8-1700109.7D152 E156 N157 T192 Y195D152-K154 PolarHBondContact O-N 3.25Å; D152-K154 IonicContact OD1-NZ 3.02Å; D152-K154 PolarHBondContact OD1-NZ 3.13Å; D152-K154 VanDerWaalsContact OD2-CE 3.29Å; D152-K154 WeakPolarHBondContact OD2-CE 3.45Å; D152-K154 IonicContact OD2-NZ 3.78Å; D152-K154 PolarHBondContact OD2-NZ 3.13Å; D152-K154 VanDerWaalsContact OD2-NZ 3.16Å; K154-E156 WeakPolarHBondContact CB-OE2 3.43Å; K154-E156 HydrophobicContact CD-CB 4.48Å; K154-E156 WeakPolarHBondContact CD-OE2 3.44Å; K154-E156 HydrophobicContact CG-CB 4.34Å; K154-E156 VanDerWaalsContact CG-OE2 3.29Å; K154-E156 WeakPolarHBondContact CG-OE2 3.44Å; K154-E156 PolarHBondContact O-N 3.12Å; K154-N157 WeakPolarHBondContact CE-ND2 3.35Å; K154-N157 HydrophobicContact CG-CB 4.25Å; K154-N157 PolarHBondContact O-N 2.75Å; K154-T192 PolarHBondContact NZ-OG1 3.49Å; K154-Y195 HydrophobicContact CB-CD1 3.84Å; K154-Y195 HydrophobicContact CB-CD2 3.84Å; K154-Y195 HydrophobicContact CB-CE1 4.11Å; K154-Y195 HydrophobicContact CB-CE2 4.11Å; K154-Y195 HydrophobicContact CB-CG 3.71Å
155P97.6Very high96.3Very high0 Ų034.6 Ų34.60%018%0.182CC..G310 helixtrans-56.9-32.4-175.4-24.435.3000114L113 Y114 N157 I158 Y195 V218 Y221L113-P155 HydrophobicContact CB-CB 4.06Å; L113-P155 PolarHBondContact N-O 3.21Å; Y114-P155 PolarHBondContact N-O 2.63Å; P155-N157 VanDerWaalsContact C-N 3.26Å; P155-N157 PolarHBondContact O-N 3.27Å; P155-I158 PolarHBondContact O-N 2.91Å; P155-Y195 VanDerWaalsContact CD-CZ 3.44Å; P155-Y195 WeakPolarHBondContact CD-OH 3.45Å; P155-Y195 HydrophobicContact CG-CE1 4.06Å; P155-V218 HydrophobicContact CG-CG2 4.3Å; P155-Y221 HydrophobicContact CB-CD1 3.99Å; P155-Y221 HydrophobicContact CB-CE1 3.89Å; P155-Y221 HydrophobicContact CG-CD1 3.37Å; P155-Y221 HydrophobicContact CG-CE1 3.74Å; P155-Y221 HydrophobicContact CG-CG 4.09Å
156E96.3Very high96Very high57 Ų5736.3 Ų36.327%0.26618%0.181SC..G310 helixtrans-64.6-27.7176.1-56.794.1124.200113.2D112 Y114 K154D112-E156 WeakPolarHBondContact CB-O 3.31Å; Y114-E156 HydrophobicContact CD1-CG 4.46Å; Y114-E156 HydrophobicContact CD2-CG 4.32Å; Y114-E156 HydrophobicContact CG-CG 3.91Å; K154-E156 WeakPolarHBondContact CB-OE2 3.43Å; K154-E156 HydrophobicContact CD-CB 4.48Å; K154-E156 WeakPolarHBondContact CD-OE2 3.44Å; K154-E156 HydrophobicContact CG-CB 4.34Å; K154-E156 VanDerWaalsContact CG-OE2 3.29Å; K154-E156 WeakPolarHBondContact CG-OE2 3.44Å; K154-E156 PolarHBondContact O-N 3.12Å
157N97.6Very high95.5Very high13 Ų1332.7 Ų32.77%0.0717%0.165CC..G310 helixtrans-97.18.5-179.3-72-14000112.6D152 K154 P155 C172D152-N157 PolarHBondContact O-ND2 3.12Å; D152-N157 PolarHBondContact OD2-ND2 2.82Å; K154-N157 WeakPolarHBondContact CE-ND2 3.35Å; K154-N157 HydrophobicContact CG-CB 4.25Å; K154-N157 PolarHBondContact O-N 2.75Å; P155-N157 VanDerWaalsContact C-N 3.26Å; P155-N157 PolarHBondContact O-N 3.27Å; N157-C172 PolarHBondContact O-N 3.03Å; N157-C172 PolarHBondContact O-SG 3.45Å
158I98.4Very high95.6Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-113.297.8175.5-56.2164.2000107.8D112 L113 L136 P155 I169 L171 V218D112-I158 WeakPolarHBondContact CA-O 3.5Å; L113-I158 HydrophobicContact CD1-CB 3.79Å; L113-I158 HydrophobicContact CD1-CD1 4.2Å; L113-I158 HydrophobicContact CD1-CG2 3.39Å; L113-I158 HydrophobicContact CG-CB 4.17Å; L113-I158 HydrophobicContact CG-CG2 3.97Å; L113-I158 PolarHBondContact N-O 3.24Å; L136-I158 HydrophobicContact CD1-CD1 4.16Å; L136-I158 HydrophobicContact CD1-CG1 4.26Å; L136-I158 HydrophobicContact CD2-CD1 3.86Å; P155-I158 PolarHBondContact O-N 2.91Å; I158-I169 HydrophobicContact CG2-CB 3.94Å; I158-I169 HydrophobicContact CG2-CD1 4.3Å; I158-I169 HydrophobicContact CG2-CG1 4.46Å; I158-I169 HydrophobicContact CG2-CG2 4.21Å; I158-L171 HydrophobicContact CG1-CD1 4.42Å; I158-V218 HydrophobicContact CD1-CG1 3.98Å; I158-V218 HydrophobicContact CD1-CG2 4.28Å
159L97.7Very high95.6Very high35 Ų3532 Ų3218%0.18316%0.158CC..EExtended strand (participates in β ladder)trans-86.6155.2-174.9-51.9-179.1000111.9C108 G111 D112 I169 A170 C172C108-L159 HydrophobicContact CB-CB 3.58Å; C108-L159 HydrophobicContact CB-CD1 3.94Å; C108-L159 HydrophobicContact CB-CG 4.36Å; G111-L159 CarbonylContact O-C 3.59Å; G111-L159 WeakPolarHBondContact O-CA 3.33Å; D112-L159 HydrophobicContact CB-CD2 3.87Å; L159-I169 CarbonylContact O-C 3.48Å; L159-I169 WeakPolarHBondContact O-CA 3.47Å; L159-A170 HydrophobicContact CB-CB 4.4Å; L159-A170 PolarHBondContact N-O 3.4Å; L159-A170 PolarHBondContact O-N 3.28Å; L159-C172 HydrophobicContact CD1-CB 3.88Å; L159-C172 HydrophobicContact CG-CB 4.17Å
160L97.2Very high95.6Very high1 Ų132 Ų321%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-107112177-65.5174.6000110.8C108 H110 G111 L113 Y116 L164 I169C108-L160 CarbonylContact C-O 3.44Å; H110-L160 HydrophobicContact CB-CB 3.65Å; H110-L160 WeakPolarHBondContact CB-O 3.45Å; H110-L160 PolarHBondContact N-O 3.47Å; H110-L160 VanDerWaalsContact N-O 3.12Å; G111-L160 PolarHBondContact O-N 3.43Å; L113-L160 HydrophobicContact CD2-CD1 4.23Å; L113-L160 HydrophobicContact CD2-CD2 3.88Å; L113-L160 HydrophobicContact CD2-CG 4.21Å; Y116-L160 HydrophobicContact CD2-CD1 4Å; Y116-L160 HydrophobicContact CG-CD1 4.37Å; L160-L164 HydrophobicContact CD2-CD2 4.25Å; L160-I169 HydrophobicContact CD2-CG2 4.07Å
161R95.6Very high95.6Very high40 Ų4032 Ų3215%0.15116%0.158CC..EExtended strand (participates in β ladder)trans-74.1-40.3169.9-65.8-167.3-17595.20.5111.5S86 I88 E106 H110 D168 I169 A170S86-R161 VanDerWaalsContact O-CZ 3.32Å; S86-R161 PolarHBondContact O-NH1 3.21Å; S86-R161 PolarHBondContact O-NH2 3.14Å; S86-R161 VanDerWaalsContact O-NH2 3.12Å; I88-R161 PolarHBondContact O-NH2 3.1Å; E106-R161 VanDerWaalsContact CD-NE 3.34Å; E106-R161 IonicContact OE1-CZ 2.91Å; E106-R161 IonicContact OE1-NE 3.8Å; E106-R161 PolarHBondContact OE1-NE 3.23Å; E106-R161 IonicContact OE1-NH2 3.63Å; E106-R161 PolarHBondContact OE1-NH2 2.97Å; E106-R161 IonicContact OE2-CZ 3.97Å; E106-R161 IonicContact OE2-NE 2.72Å; E106-R161 PolarHBondContact OE2-NE 3.46Å; E106-R161 IonicContact OE2-NH2 2.63Å; H110-R161 PolarHBondContact CE1-O 3.47Å; H110-R161 PolarHBondContact ND1-O 2.93Å; R161-D168 HydrophobicContact CB-CB 4.09Å; R161-D168 WeakPolarHBondContact CB-O 3.37Å; R161-D168 PolarHBondContact N-O 3.17Å; R161-D168 IonicContact NH1-OD1 3.38Å; R161-D168 PolarHBondContact NH1-OD1 3.12Å; R161-I169 PolarHBondContact NH1-O 2.81Å; R161-I169 VanDerWaalsContact NH1-O 3.11Å; R161-A170 HydrophobicContact CG-CB 4.44Å
162R95.2Very high95.6Very high149 Ų14932.3 Ų32.356%0.56216%0.161SC*.EExtended strand (participates in β ladder)trans-117.4153.3177-68.2-172.1-178.4-154.8-0.5110.1Q166 D168R162-Q166 HydrophobicContact CB-CB 4.43Å; R162-D168 HydrophobicContact CB-CB 3.96Å; R162-D168 HydrophobicContact CG-CB 3.94Å
163P92.4Very high95.5Very high57 Ų5734 Ų3437%0.3717%0.17SC..  trans-66.4164.4174.830.3-31.5000110.4H110 Q166 C167H110-P163 WeakPolarHBondContact NE2-CD 3.4Å; P163-Q166 PolarHBondContact O-N 3.17Å; P163-Q166 PolarHBondContact O-OE1 3.47Å; P163-C167 PolarHBondContact O-N 3.22Å; P163-C167 VanDerWaalsContact O-N 3.13Å
164L90.6Very high95.3Very high23 Ų2334.1 Ų34.112%0.1217%0.17CC..THydrogen-bonded Turntrans-78.5145.4166.2-59.9-179.3000109Y116 L124 I128 I132 L160 C167Y116-L164 HydrophobicContact CD1-CD1 4.03Å; Y116-L164 HydrophobicContact CD2-CD1 4.34Å; Y116-L164 HydrophobicContact CE1-CD1 3.68Å; Y116-L164 HydrophobicContact CE2-CB 4.33Å; Y116-L164 HydrophobicContact CE2-CD1 3.96Å; Y116-L164 HydrophobicContact CE2-CG 4.25Å; Y116-L164 HydrophobicContact CG-CD1 4.37Å; L124-L164 HydrophobicContact CD2-CD1 3.51Å; I128-L164 HydrophobicContact CG2-CB 4.5Å; I128-L164 HydrophobicContact CG2-CD1 3.94Å; I128-L164 HydrophobicContact CG2-CD2 3.96Å; I128-L164 HydrophobicContact CG2-CG 4.36Å; I132-L164 HydrophobicContact CD1-CD1 4.29Å; I132-L164 HydrophobicContact CD1-CD2 4.37Å; I132-L164 HydrophobicContact CG1-CD2 4.49Å; L160-L164 HydrophobicContact CD2-CD2 4.25Å; L164-C167 HydrophobicContact CD2-CB 3.62Å
165P89.5Confident95.2Very high87 Ų8734.3 Ų34.357%0.56518%0.179SC*.THydrogen-bonded Turncis-88.4-2.89.535.7-37000115.2I128 C167I128-P165 HydrophobicContact CD1-CB 3.44Å; I128-P165 VanDerWaalsContact CD1-CB 3.44Å; P165-C167 PolarHBondContact O-N 3.06Å; P165-C167 VanDerWaalsContact O-N 3.13Å
166Q89.8Confident95.1Very high119 Ų11937 Ų3756%0.55619%0.193SC*.THydrogen-bonded Turntrans-61.2-27-176.2-64.982.13.400112.9R162 P163R162-Q166 HydrophobicContact CB-CB 4.43Å; P163-Q166 PolarHBondContact O-N 3.17Å; P163-Q166 PolarHBondContact O-OE1 3.47Å
167C87.4Confident95.1Very high4 Ų434.5 Ų34.53%0.02718%0.183CC..  trans48.198.7168.1-1660000113.8E131 I132 Q135 P163 L164 P165E131-C167 HydrophobicContact CG-CB 3.89Å; I132-C167 WeakPolarHBondContact CG1-SG 3.33Å; Q135-C167 PolarHBondContact NE2-O 3.47Å; P163-C167 PolarHBondContact O-N 3.22Å; P163-C167 VanDerWaalsContact O-N 3.13Å; L164-C167 HydrophobicContact CD2-CB 3.62Å; P165-C167 PolarHBondContact O-N 3.06Å; P165-C167 VanDerWaalsContact O-N 3.13Å
168D96.7Very high95Very high39 Ų3936.2 Ų36.221%0.20919%0.189CC..EExtended strand (participates in β ladder)trans-131.6102.2167.2177.20.8000107.2R161 R162R161-D168 HydrophobicContact CB-CB 4.09Å; R161-D168 WeakPolarHBondContact CB-O 3.37Å; R161-D168 PolarHBondContact N-O 3.17Å; R161-D168 IonicContact NH1-OD1 3.38Å; R161-D168 PolarHBondContact NH1-OD1 3.12Å; R162-D168 HydrophobicContact CB-CB 3.96Å; R162-D168 HydrophobicContact CG-CB 3.94Å
169I98.1Very high94.8Very high0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans-92.7151.1-175.671.290.5000111.8H87 I132 Q135 I158 L159 L160 R161H87-I169 WeakPolarHBondContact CA-O 3.44Å; H87-I169 HydrophobicContact CB-CD1 4.02Å; I132-I169 HydrophobicContact CG1-CG2 4.38Å; I132-I169 HydrophobicContact CG2-CG2 4.37Å; Q135-I169 HydrophobicContact CB-CD1 4.02Å; Q135-I169 HydrophobicContact CB-CG1 3.41Å; Q135-I169 VanDerWaalsContact CB-CG1 3.41Å; Q135-I169 HydrophobicContact CG-CG1 4.44Å; I158-I169 HydrophobicContact CG2-CB 3.94Å; I158-I169 HydrophobicContact CG2-CD1 4.3Å; I158-I169 HydrophobicContact CG2-CG1 4.46Å; I158-I169 HydrophobicContact CG2-CG2 4.21Å; L159-I169 CarbonylContact O-C 3.48Å; L159-I169 WeakPolarHBondContact O-CA 3.47Å; L160-I169 HydrophobicContact CD2-CG2 4.07Å; R161-I169 PolarHBondContact NH1-O 2.81Å; R161-I169 VanDerWaalsContact NH1-O 3.11Å
170A98.2Very high94.7Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-129.3115.816900000110.3V89 L159 R161V89-A170 HydrophobicContact CB-CB 4.46Å; L159-A170 HydrophobicContact CB-CB 4.4Å; L159-A170 PolarHBondContact N-O 3.4Å; L159-A170 PolarHBondContact O-N 3.28Å; R161-A170 HydrophobicContact CG-CB 4.44Å
171L98.6Very high94.3Very high0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-69129.9167.4-178.764.2000109.3H87 V89 L136 A139 I153 I158 F174H87-L171 PolarHBondContact O-N 3.45Å; V89-L171 PolarHBondContact N-O 2.88Å; L136-L171 HydrophobicContact CD1-CD1 4.29Å; A139-L171 HydrophobicContact CB-CB 4.26Å; A139-L171 HydrophobicContact CB-CD2 4.3Å; I153-L171 HydrophobicContact CG1-CD1 4.45Å; I158-L171 HydrophobicContact CG1-CD1 4.42Å; L171-F174 HydrophobicContact CD2-CZ 4.32Å; L171-F174 HydrophobicContact CG-CZ 4.49Å
172C96.8Very high93.5Very high15 Ų1551.5 Ų51.510%0.10127%0.266CS..  trans-130.3179.7-178.680.20000112.1V89 H150 N157 L159V89-C172 HydrophobicContact CB-CB 3.92Å; V89-C172 HydrophobicContact CG1-CB 3.76Å; V89-C172 HydrophobicContact CG2-CB 4.43Å; H150-C172 PolarHBondContact CE1-O 3.14Å; H150-C172 PolarHBondContact NE2-O 3.1Å; N157-C172 PolarHBondContact O-N 3.03Å; N157-C172 PolarHBondContact O-SG 3.45Å; L159-C172 HydrophobicContact CD1-CB 3.88Å; L159-C172 HydrophobicContact CG-CB 4.17Å
173D94.8Very high92.9Very high51 Ų5152.1 Ų52.127%0.27328%0.28SS..  trans60.472.8179.5-152.3-21000116.7K57 H150 G175K57-D173 IonicContact NZ-OD1 3.87Å; K57-D173 PolarHBondContact NZ-OD1 3.18Å; K57-D173 IonicContact NZ-OD2 3.48Å; K57-D173 PolarHBondContact NZ-OD2 3.23Å; K57-D173 VanDerWaalsContact NZ-OD2 3.17Å; H150-D173 PolarHBondContact CE1-O 3.27Å; H150-D173 PolarHBondContact NE2-O 2.82Å; H150-D173 VanDerWaalsContact NE2-O 3.15Å; D173-G175 PolarHBondContact O-N 3.01Å; D173-G175 PolarHBondContact OD1-N 3.47Å; D173-G175 VanDerWaalsContact OD1-N 3.15Å
174F96.1Very high92.7Very high2 Ų254.2 Ų54.21%0.00929%0.285CS..G310 helixtrans-82.816.5174-71.1-100.6000113.4E75 M78 V79 I88 I143 H150 L171 L176 A177E75-F174 HydrophobicContact CG-CB 4.38Å; M78-F174 HydrophobicContact CB-CB 3.94Å; M78-F174 HydrophobicContact CB-CD1 3.99Å; M78-F174 HydrophobicContact CB-CG 4.23Å; V79-F174 HydrophobicContact CG2-CB 4.08Å; V79-F174 HydrophobicContact CG2-CD2 3.96Å; V79-F174 HydrophobicContact CG2-CG 4.24Å; I88-F174 HydrophobicContact CD1-CZ 4.16Å; I88-F174 HydrophobicContact CG1-CZ 4.33Å; I88-F174 HydrophobicContact CG2-CE2 3.66Å; I88-F174 HydrophobicContact CG2-CZ 3.79Å; I143-F174 HydrophobicContact CD1-CE1 4.34Å; I143-F174 HydrophobicContact CG2-CE1 4.04Å; I143-F174 HydrophobicContact CG2-CZ 4.41Å; H150-F174 AromaticContact CD2-CD1 3.83Å; H150-F174 AromaticContact CD2-CE1 3.69Å; H150-F174 AromaticContact CD2-CZ 3.91Å; L171-F174 HydrophobicContact CD2-CZ 4.32Å; L171-F174 HydrophobicContact CG-CZ 4.49Å; F174-L176 PolarHBondContact O-N 3.29Å; F174-A177 HydrophobicContact CB-CB 4.02Å; F174-A177 HydrophobicContact CD1-CB 3.86Å; F174-A177 HydrophobicContact CG-CB 4.42Å; F174-A177 WeakPolarHBondContact O-CB 3.26Å; F174-A177 PolarHBondContact O-N 2.95Å
175G94.6Very high92.9Very high28 Ų2857.7 Ų57.729%0.28931%0.307SS..G310 helixtrans-64.7-20.9-175.400000114.2D173D173-G175 PolarHBondContact O-N 3.01Å; D173-G175 PolarHBondContact OD1-N 3.47Å; D173-G175 VanDerWaalsContact OD1-N 3.15Å
176L95.2Very high93.1Very high56 Ų5654.9 Ų54.929%0.29329%0.287SS..G310 helixtrans-104-4.8175.1-63-178.5000113.4H150 L151 D152 F174 V190H150-L176 CarbonylContact O-C 3.46Å; L151-L176 HydrophobicContact CB-CB 4.33Å; D152-L176 HydrophobicContact CB-CD1 3.88Å; F174-L176 PolarHBondContact O-N 3.29Å; L176-V190 HydrophobicContact CD1-CB 4.04Å; L176-V190 HydrophobicContact CD2-CB 4.15Å; L176-V190 HydrophobicContact CD2-CG1 4.1Å
177A96.6Very high93.5Very high6 Ų654.7 Ų54.75%0.0528%0.281CS..  trans-66.1144.7-172.800000112.5Q74 M78 I148 V149 H150 F174Q74-A177 PolarHBondContact NE2-O 3Å; M78-A177 HydrophobicContact CG-CB 4.21Å; I148-A177 HydrophobicContact CG2-CB 4.27Å; V149-A177 CarbonylContact O-C 3.52Å; V149-A177 WeakPolarHBondContact O-CA 3.33Å; V149-A177 WeakPolarHBondContact O-CB 3.4Å; H150-A177 PolarHBondContact O-N 3.36Å; F174-A177 HydrophobicContact CB-CB 4.02Å; F174-A177 HydrophobicContact CD1-CB 3.86Å; F174-A177 HydrophobicContact CG-CB 4.42Å; F174-A177 WeakPolarHBondContact O-CB 3.26Å; F174-A177 PolarHBondContact O-N 2.95Å
178K95.7Very high93.7Very high48 Ų4856.8 Ų56.821%0.20929%0.292CS..EExtended strand (participates in β ladder)trans-134146.2-177.3-63.6-177.6-171.3-97.90111.7I148 V149 L151 I186 D188I148-K178 WeakPolarHBondContact CA-O 3.29Å; V149-K178 HydrophobicContact CG1-CB 4.05Å; V149-K178 PolarHBondContact N-O 2.97Å; V149-K178 PolarHBondContact O-N 3.49Å; L151-K178 HydrophobicContact CD1-CB 4.5Å; L151-K178 HydrophobicContact CD1-CD 3.88Å; L151-K178 HydrophobicContact CD1-CG 4.07Å; K178-I186 HydrophobicContact CB-CD1 4.25Å; K178-I186 HydrophobicContact CD-CD1 4.4Å; K178-I186 HydrophobicContact CD-CG2 3.49Å; K178-I186 VanDerWaalsContact CD-CG2 3.49Å; K178-D188 WeakPolarHBondContact CE-OD2 3.26Å; K178-D188 IonicContact NZ-OD2 3.74Å; K178-D188 PolarHBondContact NZ-OD2 3.38Å
179H94.7Very high93.6Very high71 Ų7160.4 Ų60.433%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-89.4114.1171.5-160.8-58.9000109.4M78 K146 S147 R181 I186M78-H179 HydrophobicContact CE-CB 4.21Å; K146-H179 PolarHBondContact O-NE2 3.03Å; S147-H179 CarbonylContact O-C 3.53Å; S147-H179 WeakPolarHBondContact O-CA 3.05Å; H179-R181 PolarHBondContact O-N 3.36Å; H179-R181 VanDerWaalsContact O-N 3.11Å; H179-I186 WeakPolarHBondContact O-CD1 3.44Å
180L94.1Very high93.4Very high31 Ų3161.7 Ų61.716%0.16232%0.319CS..  trans-79.688.7174.9-58.5-173.2000109.1S147 V149 I186 I206 L208S147-L180 WeakPolarHBondContact CB-O 3.34Å; S147-L180 PolarHBondContact O-N 3.31Å; V149-L180 HydrophobicContact CB-CD1 4.32Å; V149-L180 HydrophobicContact CB-CG 4.43Å; V149-L180 HydrophobicContact CG1-CD1 4.25Å; V149-L180 HydrophobicContact CG1-CD2 3.92Å; V149-L180 HydrophobicContact CG1-CG 3.98Å; L180-I186 HydrophobicContact CD2-CB 4.22Å; L180-I186 HydrophobicContact CD2-CD1 3.94Å; L180-I186 HydrophobicContact CD2-CG1 4.22Å; L180-I206 HydrophobicContact CD2-CG2 4.34Å; L180-L208 HydrophobicContact CD1-CD2 3.79Å; L180-L208 HydrophobicContact CD1-CG 4.01Å; L180-L208 HydrophobicContact CG-CD2 4.48Å
181R88.7Confident93.1Very high149 Ų14963 Ų6356%0.56233%0.332SS*.  trans-73.4145.1176.4-64.8176177.2171.2-0.7109.8H179 N183 E184H179-R181 PolarHBondContact O-N 3.36Å; H179-R181 VanDerWaalsContact O-N 3.11Å; R181-N183 PolarHBondContact O-N 3.15Å; R181-E184 HydrophobicContact CB-CB 4.35Å; R181-E184 HydrophobicContact CB-CG 4.27Å; R181-E184 IonicContact NH1-OE1 3.65Å; R181-E184 PolarHBondContact O-N 3.2Å
182T78.7Confident92.8Very high147 Ų14764.8 Ų64.890%0.90234%0.343SS*.THydrogen-bonded Turntrans-56.2-18.5-168.5-12.40000115.6
183N82.9Confident92.6Very high161 Ų16166.5 Ų66.586%0.86135%0.354SS*.THydrogen-bonded Turntrans-120.610.3-177.5-64.1-19.8000113.7R181R181-N183 PolarHBondContact O-N 3.15Å
184E89.4Confident92.6Very high101 Ų10164.9 Ų64.947%0.47235%0.346SS..  trans-113.4122.1-177.8-70.2177.9-171.800110.4R181R181-E184 HydrophobicContact CB-CB 4.35Å; R181-E184 HydrophobicContact CB-CG 4.27Å; R181-E184 IonicContact NH1-OE1 3.65Å; R181-E184 PolarHBondContact O-N 3.2Å
185V93.4Very high92.7Very high96 Ų9665.1 Ų65.158%0.58235%0.347SS*.  trans-88.4109.3168.9-179.30000108.2P205V185-P205 HydrophobicContact CG1-CB 3.84Å; V185-P205 HydrophobicContact CG1-CG 3.8Å
186I95Very high92.8Very high29 Ų2964.1 Ų64.115%0.14934%0.335CS..  trans-93.3131.2178.1-57.9-164.6000109.4K178 H179 L180 I206K178-I186 HydrophobicContact CB-CD1 4.25Å; K178-I186 HydrophobicContact CD-CD1 4.4Å; K178-I186 HydrophobicContact CD-CG2 3.49Å; K178-I186 VanDerWaalsContact CD-CG2 3.49Å; H179-I186 WeakPolarHBondContact O-CD1 3.44Å; L180-I186 HydrophobicContact CD2-CB 4.22Å; L180-I186 HydrophobicContact CD2-CD1 3.94Å; L180-I186 HydrophobicContact CD2-CG1 4.22Å; I186-I206 HydrophobicContact CG2-CD1 4.36Å; I186-I206 PolarHBondContact O-N 3.34Å
187R96.7Very high92.9Very high114 Ų11461.4 Ų61.443%0.4332%0.321SS..  trans-128.8135.1169.3-64.8175.4176.588-0.1107.7Y203R187-Y203 HydrophobicContact CB-CD1 4.2Å; R187-Y203 HydrophobicContact CB-CD2 4.32Å; R187-Y203 HydrophobicContact CB-CE1 3.91Å; R187-Y203 HydrophobicContact CB-CE2 4.04Å; R187-Y203 HydrophobicContact CB-CG 4.4Å; R187-Y203 WeakPolarHBondContact CD-O 3.49Å
188D93.2Very high92.9Very high48 Ų4861.2 Ų61.226%0.25732%0.32SS..  trans-155.7152.1175.3-148-15.6000110.3K178 V190 V200 I206K178-D188 WeakPolarHBondContact CE-OD2 3.26Å; K178-D188 IonicContact NZ-OD2 3.74Å; K178-D188 PolarHBondContact NZ-OD2 3.38Å; D188-V190 HydrophobicContact CB-CG1 4.17Å; D188-V190 HydrophobicContact CB-CG2 4.22Å; D188-V200 WeakPolarHBondContact O-CG1 3.49Å; D188-I206 HydrophobicContact CB-CD1 4.05Å
189L94.3Very high93Very high115 Ų11559.3 Ų59.360%0.60231%0.311SS*.  trans-108.886175.6-17370.3000108.1V200 L201 Y203L189-V200 WeakPolarHBondContact CD1-O 3.49Å; L189-L201 HydrophobicContact CD1-CD2 4.39Å; L189-Y203 HydrophobicContact CB-CD2 4.43Å
190V93.5Very high93.2Very high27 Ų2756.1 Ų56.116%0.16430%0.297CS..  trans-136.6173.7-171.5-65.70000111.5L151 L176 D188 V200L151-V190 HydrophobicContact CB-CG2 4.11Å; L151-V190 HydrophobicContact CD1-CG2 4.02Å; L176-V190 HydrophobicContact CD1-CB 4.04Å; L176-V190 HydrophobicContact CD2-CB 4.15Å; L176-V190 HydrophobicContact CD2-CG1 4.1Å; D188-V190 HydrophobicContact CB-CG1 4.17Å; D188-V190 HydrophobicContact CB-CG2 4.22Å; V190-V200 HydrophobicContact CG2-CG1 4.49Å; V190-V200 WeakPolarHBondContact O-CG1 3.44Å
191G91.8Very high93.3Very high27 Ų2756.1 Ų56.128%0.27830%0.297SS..SBendtrans86.7175.7179.500000113.6
192T92.1Very high93.6Very high39 Ų3952.9 Ų52.924%0.23929%0.29CS..  trans-83.4128.5173.9-58.20000110.1D152 K154 D194 Y195 A196D152-T192 PolarHBondContact OD1-N 3.43Å; K154-T192 PolarHBondContact NZ-OG1 3.49Å; T192-D194 VanDerWaalsContact C-N 3.34Å; T192-D194 WeakPolarHBondContact CG2-OD1 3.2Å; T192-D194 PolarHBondContact O-N 2.96Å; T192-D194 VanDerWaalsContact O-N 3.14Å; T192-Y195 HydrophobicContact CG2-CD2 4.2Å; T192-Y195 PolarHBondContact O-N 3.18Å; T192-A196 WeakPolarHBondContact O-CB 3.41Å; T192-A196 PolarHBondContact O-N 3.38Å
193P92.6Very high94.4Very high51 Ų5152.2 Ų52.233%0.33127%0.273SS..THydrogen-bonded Turntrans-53-38.3-166.8-32.336.5000117.2T237 L238P193-T237 HydrophobicContact CB-CG2 4.3Å; P193-L238 HydrophobicContact CB-CD2 3.99Å
194D95.1Very high95.1Very high17 Ų1748.2 Ų48.29%0.09125%0.251CS..THydrogen-bonded Turntrans-78.4-19.2-178.757.5-27.6000113.8T192 S227 T237T192-D194 VanDerWaalsContact C-N 3.34Å; T192-D194 WeakPolarHBondContact CG2-OD1 3.2Å; T192-D194 PolarHBondContact O-N 2.96Å; T192-D194 VanDerWaalsContact O-N 3.14Å; D194-S227 PolarHBondContact OD2-OG 3.22Å; D194-S227 VanDerWaalsContact OD2-OG 3.1Å; D194-T237 HydrophobicContact CB-CG2 3.79Å
195Y97.3Very high95.4Very high7 Ų745.2 Ų45.23%0.02724%0.24CC..THydrogen-bonded Turntrans-100.6-16.8173.3-62-86.5000113.2K154 P155 T192 S214 V217 V218K154-Y195 HydrophobicContact CB-CD1 3.84Å; K154-Y195 HydrophobicContact CB-CD2 3.84Å; K154-Y195 HydrophobicContact CB-CE1 4.11Å; K154-Y195 HydrophobicContact CB-CE2 4.11Å; K154-Y195 HydrophobicContact CB-CG 3.71Å; P155-Y195 VanDerWaalsContact CD-CZ 3.44Å; P155-Y195 WeakPolarHBondContact CD-OH 3.45Å; P155-Y195 HydrophobicContact CG-CE1 4.06Å; T192-Y195 HydrophobicContact CG2-CD2 4.2Å; T192-Y195 PolarHBondContact O-N 3.18Å; Y195-S214 WeakPolarHBondContact O-CB 3.48Å; Y195-S214 PolarHBondContact O-OG 3.38Å; Y195-V217 HydrophobicContact CD1-CB 3.94Å; Y195-V217 HydrophobicContact CD1-CG1 3.39Å; Y195-V217 HydrophobicContact CE1-CB 4.41Å; Y195-V217 HydrophobicContact CE1-CG1 3.57Å; Y195-V217 HydrophobicContact CG-CG1 4.18Å; Y195-V218 HydrophobicContact CD1-CG2 4.45Å; Y195-V218 HydrophobicContact CE1-CG2 4.42Å
196A97.3Very high95.6Very high6 Ų641.1 Ų41.15%0.0522%0.215CC..SBendtrans-69.4140.517900000111.1T192 L201 W213 V241T192-A196 WeakPolarHBondContact O-CB 3.41Å; T192-A196 PolarHBondContact O-N 3.38Å; A196-L201 HydrophobicContact CB-CD2 3.91Å; A196-L201 HydrophobicContact CB-CG 4.29Å; A196-W213 PolarHBondContact O-NE1 2.77Å; A196-V241 WeakPolarHBondContact O-CG1 3.47Å
197A97.7Very high95.7Very high0 Ų043.1 Ų43.10%022%0.224CC..  trans-75.7154.6179.300000112E199 V200 L201 T210 W213A197-E199 VanDerWaalsContact CB-CD 3.41Å; A197-E199 HydrophobicContact CB-CG 4.42Å; A197-E199 WeakPolarHBondContact CB-OE1 3.29Å; A197-E199 VanDerWaalsContact CB-OE2 3.23Å; A197-E199 WeakPolarHBondContact CB-OE2 3.44Å; A197-E199 PolarHBondContact O-N 3.3Å; A197-E199 VanDerWaalsContact O-N 3.17Å; A197-V200 HydrophobicContact CB-CG2 4.42Å; A197-V200 WeakPolarHBondContact O-CB 3.24Å; A197-V200 PolarHBondContact O-N 3.26Å; A197-L201 PolarHBondContact O-N 3.23Å; A197-T210 HydrophobicContact CB-CG2 3.89Å; A197-W213 VanDerWaalsContact CA-CD1 3.49Å; A197-W213 HydrophobicContact CB-CB 3.73Å; A197-W213 HydrophobicContact CB-CD2 4.23Å; A197-W213 HydrophobicContact CB-CG 3.65Å
198P97.5Very high95.8Very high2 Ų240.3 Ų40.31%0.01322%0.217CC..Hα-helixtrans-54.9-37.1-179.6-26.734.3000113.7V200 L201 N202 W213 V241P198-V200 VanDerWaalsContact C-N 3.28Å; P198-V200 PolarHBondContact O-N 3.03Å; P198-L201 PolarHBondContact O-N 3.35Å; P198-N202 WeakPolarHBondContact O-CB 3.4Å; P198-N202 VanDerWaalsContact O-CG 3.28Å; P198-N202 PolarHBondContact O-N 3.08Å; P198-N202 PolarHBondContact O-ND2 2.92Å; P198-W213 HydrophobicContact CG-CE3 4.19Å; P198-W213 HydrophobicContact CG-CH2 3.55Å; P198-W213 HydrophobicContact CG-CZ2 3.97Å; P198-W213 HydrophobicContact CG-CZ3 3.68Å; P198-V241 HydrophobicContact CG-CG1 3.99Å
199E97.5Very high96Very high7 Ų739.3 Ų39.33%0.03321%0.213CC..Hα-helixtrans-65.8-29.8178.166.7-87.2-156.400112.9A197 Y203 D204 T210 P272 R275A197-E199 VanDerWaalsContact CB-CD 3.41Å; A197-E199 HydrophobicContact CB-CG 4.42Å; A197-E199 WeakPolarHBondContact CB-OE1 3.29Å; A197-E199 VanDerWaalsContact CB-OE2 3.23Å; A197-E199 WeakPolarHBondContact CB-OE2 3.44Å; A197-E199 PolarHBondContact O-N 3.3Å; A197-E199 VanDerWaalsContact O-N 3.17Å; E199-Y203 PolarHBondContact O-N 2.89Å; E199-D204 HydrophobicContact CB-CB 3.8Å; E199-D204 WeakPolarHBondContact O-CA 3.44Å; E199-D204 WeakPolarHBondContact O-CB 3.41Å; E199-D204 PolarHBondContact O-N 3.23Å; E199-T210 VanDerWaalsContact OE1-CA 3.32Å; E199-T210 WeakPolarHBondContact OE1-CA 3.21Å; E199-T210 WeakPolarHBondContact OE1-CB 3.44Å; E199-T210 PolarHBondContact OE1-OG1 2.8Å; E199-P272 HydrophobicContact CB-CG 4.24Å; E199-P272 VanDerWaalsContact CD-CG 3.46Å; E199-P272 HydrophobicContact CG-CG 4Å; E199-R275 IonicContact OE1-CZ 2.88Å; E199-R275 IonicContact OE1-NH1 2.71Å; E199-R275 PolarHBondContact OE1-NH1 2.77Å; E199-R275 IonicContact OE1-NH2 3.63Å; E199-R275 IonicContact OE2-CZ 2.69Å; E199-R275 IonicContact OE2-NH1 3.37Å; E199-R275 PolarHBondContact OE2-NH1 3.17Å; E199-R275 IonicContact OE2-NH2 3.99Å; E199-R275 PolarHBondContact OE2-NH2 3.17Å
200V97.5Very high96.2Very high4 Ų434 Ų342%0.02419%0.185CC..Hα-helixtrans-70-46174.7179.60000109.4D188 L189 V190 A197 P198 N202 Y203 I206 T210D188-V200 WeakPolarHBondContact O-CG1 3.49Å; L189-V200 WeakPolarHBondContact CD1-O 3.49Å; V190-V200 HydrophobicContact CG2-CG1 4.49Å; V190-V200 WeakPolarHBondContact O-CG1 3.44Å; A197-V200 HydrophobicContact CB-CG2 4.42Å; A197-V200 WeakPolarHBondContact O-CB 3.24Å; A197-V200 PolarHBondContact O-N 3.26Å; P198-V200 VanDerWaalsContact C-N 3.28Å; P198-V200 PolarHBondContact O-N 3.03Å; V200-N202 PolarHBondContact O-N 3.27Å; V200-Y203 PolarHBondContact O-N 3.43Å; V200-I206 HydrophobicContact CG2-CG1 4.36Å; V200-T210 HydrophobicContact CG2-CG2 3.52Å
201L96.2Very high96.5Very high32 Ų3232.7 Ų32.717%0.16818%0.177CC..Hα-helixtrans-69.2-32-178.6-58.8-174.1000113.2L189 A196 A197 P198 Y203 L238 V241L189-L201 HydrophobicContact CD1-CD2 4.39Å; A196-L201 HydrophobicContact CB-CD2 3.91Å; A196-L201 HydrophobicContact CB-CG 4.29Å; A197-L201 PolarHBondContact O-N 3.23Å; P198-L201 PolarHBondContact O-N 3.35Å; L201-Y203 VanDerWaalsContact C-N 3.29Å; L201-L238 HydrophobicContact CD1-CD2 3.63Å; L201-L238 HydrophobicContact CD2-CD2 3.67Å; L201-L238 HydrophobicContact CG-CD2 4.19Å; L201-V241 HydrophobicContact CD1-CB 3.68Å; L201-V241 HydrophobicContact CD1-CG1 3.45Å; L201-V241 VanDerWaalsContact CD1-CG1 3.45Å; L201-V241 HydrophobicContact CD1-CG2 4.32Å; L201-V241 HydrophobicContact CG-CG1 4.44Å
202N95.3Very high96.8Very high80 Ų8031.4 Ų31.443%0.42816%0.164SC..THydrogen-bonded Turntrans-84.3-0.7175.3-67.6-30.2000113.5P198 V200 D204 C242P198-N202 WeakPolarHBondContact O-CB 3.4Å; P198-N202 VanDerWaalsContact O-CG 3.28Å; P198-N202 PolarHBondContact O-N 3.08Å; P198-N202 PolarHBondContact O-ND2 2.92Å; V200-N202 PolarHBondContact O-N 3.27Å; N202-D204 WeakPolarHBondContact CB-OD2 3.43Å; N202-D204 PolarHBondContact O-N 2.77Å; N202-C242 PolarHBondContact OD1-SG 2.94Å
203Y96.4Very high97.1Very high134 Ų13429.6 Ų29.653%0.52515%0.153SC..THydrogen-bonded Turntrans5932.9-175-155.6-109.6000113.5R187 L189 E199 V200 L201R187-Y203 HydrophobicContact CB-CD1 4.2Å; R187-Y203 HydrophobicContact CB-CD2 4.32Å; R187-Y203 HydrophobicContact CB-CE1 3.91Å; R187-Y203 HydrophobicContact CB-CE2 4.04Å; R187-Y203 HydrophobicContact CB-CG 4.4Å; R187-Y203 WeakPolarHBondContact CD-O 3.49Å; L189-Y203 HydrophobicContact CB-CD2 4.43Å; E199-Y203 PolarHBondContact O-N 2.89Å; V200-Y203 PolarHBondContact O-N 3.43Å; L201-Y203 VanDerWaalsContact C-N 3.29Å
204D96.9Very high97.4Very high76 Ų7627.4 Ų27.441%0.40614%0.138SC..PPolyproline II helixtrans-82.7166.8173.1-74-39.9000111.1E199 N202 I206E199-D204 HydrophobicContact CB-CB 3.8Å; E199-D204 WeakPolarHBondContact O-CA 3.44Å; E199-D204 WeakPolarHBondContact O-CB 3.41Å; E199-D204 PolarHBondContact O-N 3.23Å; N202-D204 WeakPolarHBondContact CB-OD2 3.43Å; N202-D204 PolarHBondContact O-N 2.77Å; D204-I206 PolarHBondContact O-N 3.01Å
205P96.9Very high97.6Very high39 Ų3926.6 Ų26.625%0.25313%0.134SC..PPolyproline II helixtrans-54.2131.7175.4-29.138.2000113.2V185 H207V185-P205 HydrophobicContact CG1-CB 3.84Å; V185-P205 HydrophobicContact CG1-CG 3.8Å; P205-H207 PolarHBondContact O-CE1 3.02Å; P205-H207 PolarHBondContact O-ND1 3.05Å
206I97.4Very high97.6Very high9 Ų926.2 Ų26.25%0.04613%0.133CC..PPolyproline II helixtrans-80.3142.1174.4-68.8173.9000110.1V149 L151 L180 I186 D188 V200 D204 T210V149-I206 HydrophobicContact CG1-CG2 3.98Å; V149-I206 HydrophobicContact CG2-CG2 4.25Å; L151-I206 HydrophobicContact CD1-CD1 3.98Å; L151-I206 HydrophobicContact CD2-CD1 4.14Å; L151-I206 HydrophobicContact CD2-CG2 3.7Å; L180-I206 HydrophobicContact CD2-CG2 4.34Å; I186-I206 HydrophobicContact CG2-CD1 4.36Å; I186-I206 PolarHBondContact O-N 3.34Å; D188-I206 HydrophobicContact CB-CD1 4.05Å; V200-I206 HydrophobicContact CG2-CG1 4.36Å; D204-I206 PolarHBondContact O-N 3.01Å; I206-T210 HydrophobicContact CG2-CG2 4.49Å
207H96.7Very high97.7Very high71 Ų7126 Ų2633%0.32913%0.13SC..  trans-128.7168.4179.5-55.585.3000110.6P205 T209 T210P205-H207 PolarHBondContact O-CE1 3.02Å; P205-H207 PolarHBondContact O-ND1 3.05Å; H207-T209 PolarHBondContact O-N 2.85Å; H207-T210 PolarHBondContact N-OG1 2.75Å; H207-T210 WeakPolarHBondContact O-CB 3.29Å; H207-T210 PolarHBondContact O-N 3.48Å; H207-T210 VanDerWaalsContact O-N 3.07Å; H207-T210 PolarHBondContact O-OG1 2.72Å; H207-T210 VanDerWaalsContact O-OG1 3.07Å
208L97.8Very high97.7Very high55 Ų5526 Ų2629%0.28813%0.13SC..THydrogen-bonded Turntrans-60.3-37.3170.1-64.1177.3000111.1H144 V149 L180 T210 D211H144-L208 HydrophobicContact CB-CD1 4.19Å; H144-L208 HydrophobicContact CB-CD2 4.34Å; H144-L208 PolarHBondContact CE1-O 3.11Å; H144-L208 PolarHBondContact NE2-O 3.19Å; V149-L208 HydrophobicContact CB-CD2 4.48Å; L180-L208 HydrophobicContact CD1-CD2 3.79Å; L180-L208 HydrophobicContact CD1-CG 4.01Å; L180-L208 HydrophobicContact CG-CD2 4.48Å; L208-T210 PolarHBondContact O-N 3.03Å; L208-T210 VanDerWaalsContact O-N 3.11Å; L208-D211 PolarHBondContact O-N 2.91Å
209T98.3Very high97.8Very high28 Ų2825.9 Ų25.917%0.17213%0.13CC..Hα-helixtrans-69.3-3.7176.4560000114.1H207 D211 I212 W213 P272 R275H207-T209 PolarHBondContact O-N 2.85Å; T209-D211 VanDerWaalsContact C-N 3.31Å; T209-I212 HydrophobicContact CG2-CG1 4.48Å; T209-I212 WeakPolarHBondContact O-CB 3.36Å; T209-I212 PolarHBondContact O-N 3.12Å; T209-W213 PolarHBondContact O-N 2.76Å; T209-P272 WeakPolarHBondContact CB-O 3.33Å; T209-P272 PolarHBondContact OG1-O 2.76Å; T209-R275 HydrophobicContact CG2-CB 4.34Å; T209-R275 WeakPolarHBondContact O-CD 3.36Å; T209-R275 PolarHBondContact O-NH1 2.87Å
210T98.5Very high97.8Very high3 Ų325.9 Ų25.92%0.01813%0.13CC..Hα-helixtrans-61.5-41.1167.7-61.20000110.8L151 A197 E199 V200 I206 H207 L208 I212 W213L151-T210 HydrophobicContact CD2-CG2 3.79Å; A197-T210 HydrophobicContact CB-CG2 3.89Å; E199-T210 VanDerWaalsContact OE1-CA 3.32Å; E199-T210 WeakPolarHBondContact OE1-CA 3.21Å; E199-T210 WeakPolarHBondContact OE1-CB 3.44Å; E199-T210 PolarHBondContact OE1-OG1 2.8Å; V200-T210 HydrophobicContact CG2-CG2 3.52Å; I206-T210 HydrophobicContact CG2-CG2 4.49Å; H207-T210 PolarHBondContact N-OG1 2.75Å; H207-T210 WeakPolarHBondContact O-CB 3.29Å; H207-T210 PolarHBondContact O-N 3.48Å; H207-T210 VanDerWaalsContact O-N 3.07Å; H207-T210 PolarHBondContact O-OG1 2.72Å; H207-T210 VanDerWaalsContact O-OG1 3.07Å; L208-T210 PolarHBondContact O-N 3.03Å; L208-T210 VanDerWaalsContact O-N 3.11Å; T210-I212 VanDerWaalsContact C-N 3.26Å; T210-I212 PolarHBondContact O-N 3.42Å; T210-W213 WeakPolarHBondContact O-CB 3.41Å; T210-W213 PolarHBondContact O-N 3.25Å
211D98.7Very high97.8Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-65.7-29175-75.5-21.7000112.6V140 H144 V149 H150 L151 I153 L208 T209 W213 S214 V215V140-D211 HydrophobicContact CG1-CB 4.38Å; H144-D211 IonicContact CD2-OD2 3.53Å; H144-D211 IonicContact CE1-OD2 3.61Å; H144-D211 IonicContact NE2-OD2 2.78Å; H144-D211 PolarHBondContact NE2-OD2 3.43Å; V149-D211 WeakPolarHBondContact CA-OD2 3.41Å; V149-D211 WeakPolarHBondContact CG2-OD1 3.38Å; V149-D211 WeakPolarHBondContact CG2-OD2 3.27Å; H150-D211 PolarHBondContact N-OD1 2.92Å; H150-D211 PolarHBondContact N-OD2 3.16Å; L151-D211 PolarHBondContact N-OD1 3.29Å; I153-D211 HydrophobicContact CD1-CB 3.69Å; L208-D211 PolarHBondContact O-N 2.91Å; T209-D211 VanDerWaalsContact C-N 3.31Å; D211-W213 VanDerWaalsContact C-N 3.31Å; D211-W213 PolarHBondContact O-N 3.24Å; D211-S214 WeakPolarHBondContact O-CB 3.26Å; D211-S214 PolarHBondContact O-N 3.15Å; D211-S214 VanDerWaalsContact O-N 3.15Å; D211-V215 WeakPolarHBondContact O-CG2 3.39Å; D211-V215 PolarHBondContact O-N 3.16Å
212I98.8Very high97.9Very high0 Ų024.5 Ų24.50%012%0.122CC..Hα-helixtrans-68.8-32.1-178.2-58.8-60.7000111.7V140 T209 T210 V215 G216 L267 R275 P276 A278V140-I212 HydrophobicContact CG1-CD1 4.35Å; T209-I212 HydrophobicContact CG2-CG1 4.48Å; T209-I212 WeakPolarHBondContact O-CB 3.36Å; T209-I212 PolarHBondContact O-N 3.12Å; T210-I212 VanDerWaalsContact C-N 3.26Å; T210-I212 PolarHBondContact O-N 3.42Å; I212-V215 PolarHBondContact O-N 3.22Å; I212-G216 PolarHBondContact O-N 3.32Å; I212-L267 HydrophobicContact CG2-CB 4.21Å; I212-L267 HydrophobicContact CG2-CD2 4.23Å; I212-L267 HydrophobicContact CG2-CG 3.75Å; I212-R275 HydrophobicContact CG2-CB 4.32Å; I212-P276 HydrophobicContact CG2-CG 4.44Å; I212-A278 HydrophobicContact CD1-CB 3.81Å
213W98.6Very high98Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-57.4-51.8168.7171.5-82.9000110.7A196 A197 P198 T209 T210 D211 V215 G216 V217 F229 V241 L244 I268A196-W213 PolarHBondContact O-NE1 2.77Å; A197-W213 VanDerWaalsContact CA-CD1 3.49Å; A197-W213 HydrophobicContact CB-CB 3.73Å; A197-W213 HydrophobicContact CB-CD2 4.23Å; A197-W213 HydrophobicContact CB-CG 3.65Å; P198-W213 HydrophobicContact CG-CE3 4.19Å; P198-W213 HydrophobicContact CG-CH2 3.55Å; P198-W213 HydrophobicContact CG-CZ2 3.97Å; P198-W213 HydrophobicContact CG-CZ3 3.68Å; T209-W213 PolarHBondContact O-N 2.76Å; T210-W213 WeakPolarHBondContact O-CB 3.41Å; T210-W213 PolarHBondContact O-N 3.25Å; D211-W213 VanDerWaalsContact C-N 3.31Å; D211-W213 PolarHBondContact O-N 3.24Å; W213-V215 VanDerWaalsContact C-N 3.3Å; W213-V215 PolarHBondContact O-N 3.16Å; W213-G216 WeakPolarHBondContact O-CA 3.29Å; W213-G216 PolarHBondContact O-N 3.48Å; W213-V217 PolarHBondContact O-N 3.03Å; W213-F229 AromaticContact CE2-CE2 3.99Å; W213-F229 HydrophobicContact CH2-CE2 4.07Å; W213-F229 AromaticContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CZ2-CD2 4.2Å; W213-F229 HydrophobicContact CZ2-CE1 4.38Å; W213-F229 AromaticContact CZ2-CE2 3.33Å; W213-F229 HydrophobicContact CZ2-CE2 3.33Å; W213-F229 AromaticContact CZ2-CZ 3.44Å; W213-F229 HydrophobicContact CZ2-CZ 3.44Å; W213-F229 VanDerWaalsContact CZ2-CZ 3.44Å; W213-V241 HydrophobicContact CZ2-CG1 3.83Å; W213-L244 HydrophobicContact CH2-CD1 3.59Å; W213-L244 HydrophobicContact CZ3-CD1 3.87Å; W213-I268 HydrophobicContact CD2-CG2 4.42Å; W213-I268 HydrophobicContact CE3-CG2 4.01Å; W213-I268 HydrophobicContact CH2-CG2 3.7Å; W213-I268 HydrophobicContact CZ2-CG2 4.1Å; W213-I268 HydrophobicContact CZ3-CG2 3.64Å
214S98.7Very high98Very high5 Ų515 Ų154%0.0358%0.08CC..Hα-helixtrans-62.6-37.3-178.4-530000111.9I153 Y195 D211 G216 V217 V218I153-S214 WeakPolarHBondContact O-CB 3.32Å; Y195-S214 WeakPolarHBondContact O-CB 3.48Å; Y195-S214 PolarHBondContact O-OG 3.38Å; D211-S214 WeakPolarHBondContact O-CB 3.26Å; D211-S214 PolarHBondContact O-N 3.15Å; D211-S214 VanDerWaalsContact O-N 3.15Å; S214-G216 VanDerWaalsContact C-N 3.31Å; S214-G216 PolarHBondContact O-N 2.96Å; S214-V217 PolarHBondContact O-N 3.18Å; S214-V218 WeakPolarHBondContact O-CG2 3.27Å; S214-V218 PolarHBondContact O-N 3.43Å
215V98.8Very high98Very high0 Ų012.5 Ų12.50%07%0.072CC..Hα-helixtrans-59.7-41.5169.9175.70000111.1L133 L136 L137 V140 I153 D211 I212 W213 V218 V219 L267L133-V215 HydrophobicContact CD2-CG1 4.31Å; L136-V215 HydrophobicContact CD2-CG1 4.3Å; L136-V215 HydrophobicContact CD2-CG2 4.15Å; L137-V215 HydrophobicContact CD2-CG1 4.22Å; V140-V215 HydrophobicContact CG2-CG2 4.37Å; I153-V215 HydrophobicContact CD1-CG2 4.18Å; I153-V215 HydrophobicContact CG2-CG2 4.31Å; D211-V215 WeakPolarHBondContact O-CG2 3.39Å; D211-V215 PolarHBondContact O-N 3.16Å; I212-V215 PolarHBondContact O-N 3.22Å; W213-V215 VanDerWaalsContact C-N 3.3Å; W213-V215 PolarHBondContact O-N 3.16Å; V215-V218 WeakPolarHBondContact O-CB 3.5Å; V215-V218 PolarHBondContact O-N 3.3Å; V215-V219 HydrophobicContact CG1-CG2 4.46Å; V215-V219 WeakPolarHBondContact O-CG2 3.31Å; V215-V219 PolarHBondContact O-N 3.2Å; V215-L267 HydrophobicContact CB-CD2 4.1Å; V215-L267 HydrophobicContact CG1-CD2 3.7Å
216G98.6Very high97.9Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-60.2-43.3174.800000113.1I212 W213 S214 V219 Y220I212-G216 PolarHBondContact O-N 3.32Å; W213-G216 WeakPolarHBondContact O-CA 3.29Å; W213-G216 PolarHBondContact O-N 3.48Å; S214-G216 VanDerWaalsContact C-N 3.31Å; S214-G216 PolarHBondContact O-N 2.96Å; G216-V219 WeakPolarHBondContact O-CB 3.43Å; G216-V219 PolarHBondContact O-N 3.28Å; G216-Y220 PolarHBondContact O-N 2.96Å; G216-Y220 VanDerWaalsContact O-N 3.09Å
217V98.5Very high97.8Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-63.4-41.7174.7-178.60000111.1Y195 W213 S214 V219 Y220 Y221 P228 F229Y195-V217 HydrophobicContact CD1-CB 3.94Å; Y195-V217 HydrophobicContact CD1-CG1 3.39Å; Y195-V217 HydrophobicContact CE1-CB 4.41Å; Y195-V217 HydrophobicContact CE1-CG1 3.57Å; Y195-V217 HydrophobicContact CG-CG1 4.18Å; W213-V217 PolarHBondContact O-N 3.03Å; S214-V217 PolarHBondContact O-N 3.18Å; V217-V219 VanDerWaalsContact C-N 3.33Å; V217-V219 PolarHBondContact O-N 3.23Å; V217-Y220 WeakPolarHBondContact O-CB 3.44Å; V217-Y220 PolarHBondContact O-N 2.91Å; V217-Y221 PolarHBondContact O-N 3.36Å; V217-P228 HydrophobicContact CB-CG 4.43Å; V217-P228 HydrophobicContact CG1-CG 3.79Å; V217-P228 HydrophobicContact CG2-CG 4.41Å; V217-F229 HydrophobicContact CG2-CD2 4.19Å; V217-F229 HydrophobicContact CG2-CE2 3.87Å
218V98.6Very high97.8Very high0 Ų013.4 Ų13.40%08%0.076CC..Hα-helixtrans-59.5-43.2173.2168.90000110.9L136 I153 P155 I158 Y195 S214 V215 Y220 Y221 L222L136-V218 HydrophobicContact CD2-CG1 4.41Å; I153-V218 HydrophobicContact CG2-CG2 4.26Å; P155-V218 HydrophobicContact CG-CG2 4.3Å; I158-V218 HydrophobicContact CD1-CG1 3.98Å; I158-V218 HydrophobicContact CD1-CG2 4.28Å; Y195-V218 HydrophobicContact CD1-CG2 4.45Å; Y195-V218 HydrophobicContact CE1-CG2 4.42Å; S214-V218 WeakPolarHBondContact O-CG2 3.27Å; S214-V218 PolarHBondContact O-N 3.43Å; V215-V218 WeakPolarHBondContact O-CB 3.5Å; V215-V218 PolarHBondContact O-N 3.3Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.99Å; V218-Y221 PolarHBondContact O-N 3.17Å; V218-L222 HydrophobicContact CG1-CD1 3.72Å; V218-L222 HydrophobicContact CG1-CG 3.97Å; V218-L222 WeakPolarHBondContact O-CB 3.24Å; V218-L222 VanDerWaalsContact O-CG 3.27Å; V218-L222 WeakPolarHBondContact O-CG 3.48Å; V218-L222 PolarHBondContact O-N 3.18Å
219V98.4Very high97.8Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-58.4-47.3176.9-179.10000111L133 V215 G216 V217 Y221 L222 L223 F263 M264 W286L133-V219 HydrophobicContact CD1-CB 4.32Å; L133-V219 HydrophobicContact CD1-CG1 4.12Å; L133-V219 HydrophobicContact CD1-CG2 3.54Å; L133-V219 HydrophobicContact CD2-CG2 3.66Å; L133-V219 HydrophobicContact CG-CG2 4.26Å; V215-V219 HydrophobicContact CG1-CG2 4.46Å; V215-V219 WeakPolarHBondContact O-CG2 3.31Å; V215-V219 PolarHBondContact O-N 3.2Å; G216-V219 WeakPolarHBondContact O-CB 3.43Å; G216-V219 PolarHBondContact O-N 3.28Å; V217-V219 VanDerWaalsContact C-N 3.33Å; V217-V219 PolarHBondContact O-N 3.23Å; V219-Y221 VanDerWaalsContact C-N 3.33Å; V219-Y221 PolarHBondContact O-N 2.83Å; V219-L222 PolarHBondContact O-N 3.16Å; V219-L223 HydrophobicContact CG1-CD1 3.68Å; V219-L223 HydrophobicContact CG1-CG 4.41Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.28Å; V219-L223 WeakPolarHBondContact O-CG 3.18Å; V219-L223 PolarHBondContact O-N 3.43Å; V219-L223 VanDerWaalsContact O-N 3.13Å; V219-F263 HydrophobicContact CG1-CD1 4.45Å; V219-F263 HydrophobicContact CG2-CD1 4.28Å; V219-F263 HydrophobicContact CG2-CE1 3.92Å; V219-M264 HydrophobicContact CG1-CB 4.09Å; V219-M264 HydrophobicContact CG1-CG 4.42Å; V219-W286 HydrophobicContact CG1-CH2 4.11Å; V219-W286 HydrophobicContact CG1-CZ3 4.24Å
220Y98.2Very high97.6Very high8 Ų816.8 Ų16.83%0.0318%0.082CC..Hα-helixtrans-56-51176.9-172.3-70.2000110.5G216 V217 V218 L223 T224 E226 P228 I246 S247 Y248 F253 M264G216-Y220 PolarHBondContact O-N 2.96Å; G216-Y220 VanDerWaalsContact O-N 3.09Å; V217-Y220 WeakPolarHBondContact O-CB 3.44Å; V217-Y220 PolarHBondContact O-N 2.91Å; V218-Y220 VanDerWaalsContact C-N 3.34Å; V218-Y220 PolarHBondContact O-N 2.99Å; Y220-L223 PolarHBondContact O-N 2.94Å; Y220-T224 HydrophobicContact CD1-CG2 4.34Å; Y220-T224 VanDerWaalsContact CD1-OG1 3.31Å; Y220-T224 WeakPolarHBondContact CD1-OG1 3.32Å; Y220-T224 HydrophobicContact CE1-CG2 4.16Å; Y220-T224 VanDerWaalsContact CE1-OG1 3.25Å; Y220-T224 WeakPolarHBondContact CE1-OG1 3.31Å; Y220-T224 WeakPolarHBondContact O-CB 3.16Å; Y220-T224 WeakPolarHBondContact O-CG2 3.34Å; Y220-T224 PolarHBondContact O-N 3.15Å; Y220-T224 VanDerWaalsContact O-N 3.09Å; Y220-T224 PolarHBondContact O-OG1 3.24Å; Y220-E226 WeakPolarHBondContact CD1-O 3.42Å; Y220-E226 HydrophobicContact CE1-CB 4.3Å; Y220-E226 WeakPolarHBondContact CE1-O 3.45Å; Y220-P228 HydrophobicContact CD1-CB 3.87Å; Y220-P228 HydrophobicContact CD1-CG 4.03Å; Y220-P228 HydrophobicContact CD2-CB 3.64Å; Y220-P228 HydrophobicContact CD2-CG 4.22Å; Y220-P228 HydrophobicContact CE1-CB 4.01Å; Y220-P228 HydrophobicContact CE2-CB 3.74Å; Y220-P228 HydrophobicContact CG-CB 3.71Å; Y220-P228 HydrophobicContact CG-CG 3.84Å; Y220-I246 HydrophobicContact CD2-CD1 3.96Å; Y220-I246 HydrophobicContact CE2-CD1 4.11Å; Y220-I246 HydrophobicContact CE2-CG1 4.2Å; Y220-S247 PolarHBondContact OH-O 3.21Å; Y220-Y248 HydrophobicContact CD2-CE1 4.33Å; Y220-Y248 HydrophobicContact CE2-CD1 4.19Å; Y220-Y248 HydrophobicContact CE2-CE1 4.2Å; Y220-F253 AromaticContact CD2-CZ 3.75Å; Y220-F253 HydrophobicContact CD2-CZ 3.75Å; Y220-F253 HydrophobicContact CE1-CZ 4.36Å; Y220-F253 HydrophobicContact CE2-CE1 4.5Å; Y220-F253 AromaticContact CE2-CE2 3.71Å; Y220-F253 HydrophobicContact CE2-CE2 3.71Å; Y220-F253 AromaticContact CE2-CZ 3.32Å; Y220-F253 HydrophobicContact CE2-CZ 3.32Å; Y220-F253 HydrophobicContact CG-CZ 4.44Å; Y220-F253 AromaticContact CZ-CE2 3.71Å; Y220-F253 AromaticContact CZ-CZ 3.66Å; Y220-M264 WeakPolarHBondContact CA-SD 3.47Å; Y220-M264 WeakPolarHBondContact CB-SD 3.43Å; Y220-M264 HydrophobicContact CD2-CE 4.25Å; Y220-M264 HydrophobicContact CD2-SD 3.53Å; Y220-M264 VanDerWaalsContact CD2-SD 3.53Å; Y220-M264 HydrophobicContact CG-SD 3.85Å
221Y98Very high97.4Very high7 Ų719.5 Ų19.53%0.02710%0.097CC..Hα-helixtrans-62.6-45.7-177.5178.3-100.4000112.4Y114 V117 P155 V217 V218 V219 L223 T224 G225 E226Y114-Y221 PolarHBondContact O-OH 2.87Å; V117-Y221 HydrophobicContact CB-CE1 3.72Å; V117-Y221 HydrophobicContact CG1-CD1 4.46Å; V117-Y221 HydrophobicContact CG1-CE1 3.83Å; V117-Y221 HydrophobicContact CG2-CE1 4.23Å; P155-Y221 HydrophobicContact CB-CD1 3.99Å; P155-Y221 HydrophobicContact CB-CE1 3.89Å; P155-Y221 HydrophobicContact CG-CD1 3.37Å; P155-Y221 HydrophobicContact CG-CE1 3.74Å; P155-Y221 HydrophobicContact CG-CG 4.09Å; V217-Y221 PolarHBondContact O-N 3.36Å; V218-Y221 PolarHBondContact O-N 3.17Å; V219-Y221 VanDerWaalsContact C-N 3.33Å; V219-Y221 PolarHBondContact O-N 2.83Å; Y221-L223 VanDerWaalsContact C-N 3.26Å; Y221-L223 PolarHBondContact O-N 2.7Å; Y221-T224 PolarHBondContact O-N 3.17Å; Y221-G225 VanDerWaalsContact CE2-O 3.26Å; Y221-G225 WeakPolarHBondContact CE2-O 3.48Å; Y221-G225 WeakPolarHBondContact O-CA 3.3Å; Y221-G225 PolarHBondContact O-N 3.41Å; Y221-E226 WeakPolarHBondContact CA-O 3.42Å
222L97.7Very high97.1Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-65-31-179.4-66.3-178.4000112.9L113 V117 L124 V129 I132 V218 V219L113-L222 HydrophobicContact CB-CD2 4.26Å; L113-L222 HydrophobicContact CD1-CD1 4.25Å; L113-L222 HydrophobicContact CD1-CD2 4.1Å; V117-L222 HydrophobicContact CG2-CD2 3.82Å; L124-L222 HydrophobicContact CD1-CB 4.4Å; L124-L222 HydrophobicContact CD1-CD2 4.03Å; V129-L222 HydrophobicContact CG1-CB 3.97Å; V129-L222 HydrophobicContact CG1-CD1 4.28Å; V129-L222 HydrophobicContact CG2-CB 4.08Å; I132-L222 HydrophobicContact CD1-CD1 4.49Å; I132-L222 HydrophobicContact CG2-CD1 3.85Å; V218-L222 HydrophobicContact CG1-CD1 3.72Å; V218-L222 HydrophobicContact CG1-CG 3.97Å; V218-L222 WeakPolarHBondContact O-CB 3.24Å; V218-L222 VanDerWaalsContact O-CG 3.27Å; V218-L222 WeakPolarHBondContact O-CG 3.48Å; V218-L222 PolarHBondContact O-N 3.18Å; V219-L222 PolarHBondContact O-N 3.16Å
223L97.2Very high96.9Very high9 Ų929.4 Ų29.45%0.04715%0.146CC..Hα-helixtrans-82.6-24.7179.4-68.5170.3000113.4E126 V129 V219 Y220 Y221 I256 A260E126-L223 HydrophobicContact CG-CD2 4.2Å; V129-L223 HydrophobicContact CB-CD2 4.12Å; V129-L223 HydrophobicContact CG1-CD2 4.01Å; V129-L223 HydrophobicContact CG1-CG 4.2Å; V129-L223 HydrophobicContact CG2-CD2 3.95Å; V219-L223 HydrophobicContact CG1-CD1 3.68Å; V219-L223 HydrophobicContact CG1-CG 4.41Å; V219-L223 WeakPolarHBondContact O-CB 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.28Å; V219-L223 WeakPolarHBondContact O-CG 3.18Å; V219-L223 PolarHBondContact O-N 3.43Å; V219-L223 VanDerWaalsContact O-N 3.13Å; Y220-L223 PolarHBondContact O-N 2.94Å; Y221-L223 VanDerWaalsContact C-N 3.26Å; Y221-L223 PolarHBondContact O-N 2.7Å; L223-I256 HydrophobicContact CB-CD1 3.71Å; L223-I256 HydrophobicContact CB-CG1 4.4Å; L223-I256 HydrophobicContact CD1-CG2 4.14Å; L223-A260 HydrophobicContact CD1-CB 3.96Å
224T96.8Very high96.6Very high6 Ų636.7 Ų36.74%0.03718%0.178CC..Hα-helixtrans-122.9-16.9-169640000114.9L123 Y220 Y221 E226 L252 F253 I256L123-T224 VanDerWaalsContact CD2-C 3.49Å; Y220-T224 HydrophobicContact CD1-CG2 4.34Å; Y220-T224 VanDerWaalsContact CD1-OG1 3.31Å; Y220-T224 WeakPolarHBondContact CD1-OG1 3.32Å; Y220-T224 HydrophobicContact CE1-CG2 4.16Å; Y220-T224 VanDerWaalsContact CE1-OG1 3.25Å; Y220-T224 WeakPolarHBondContact CE1-OG1 3.31Å; Y220-T224 WeakPolarHBondContact O-CB 3.16Å; Y220-T224 WeakPolarHBondContact O-CG2 3.34Å; Y220-T224 PolarHBondContact O-N 3.15Å; Y220-T224 VanDerWaalsContact O-N 3.09Å; Y220-T224 PolarHBondContact O-OG1 3.24Å; Y221-T224 PolarHBondContact O-N 3.17Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-N 2.69Å; T224-E226 PolarHBondContact OG1-O 3.33Å; T224-L252 HydrophobicContact CG2-CB 4.13Å; T224-F253 HydrophobicContact CG2-CE1 3.94Å; T224-F253 HydrophobicContact CG2-CE2 3.83Å; T224-F253 HydrophobicContact CG2-CZ 3.47Å; T224-F253 VanDerWaalsContact CG2-CZ 3.47Å; T224-I256 HydrophobicContact CG2-CD1 3.72Å
225G96.3Very high96.4Very high22 Ų2242.3 Ų42.323%0.22720%0.204CC..SBendtrans74.9-2.5-169.700000114.6Y221Y221-G225 VanDerWaalsContact CE2-O 3.26Å; Y221-G225 WeakPolarHBondContact CE2-O 3.48Å; Y221-G225 WeakPolarHBondContact O-CA 3.3Å; Y221-G225 PolarHBondContact O-N 3.41Å
226E95.2Very high96.3Very high106 Ų10647 Ų4750%0.49523%0.225SC..SBendtrans-117.8148.8-171.8-70.5-70.6179.300111.7Y220 Y221 T224 L252Y220-E226 WeakPolarHBondContact CD1-O 3.42Å; Y220-E226 HydrophobicContact CE1-CB 4.3Å; Y220-E226 WeakPolarHBondContact CE1-O 3.45Å; Y221-E226 WeakPolarHBondContact CA-O 3.42Å; T224-E226 PolarHBondContact O-N 2.91Å; T224-E226 PolarHBondContact OG1-N 2.69Å; T224-E226 PolarHBondContact OG1-O 3.33Å; E226-L252 HydrophobicContact CB-CD1 4.24Å; E226-L252 HydrophobicContact CG-CD1 4.05Å
227S95.3Very high96.2Very high21 Ų2147.3 Ų47.315%0.14723%0.227CC..  trans-86.2129.5174174.10000110.1D194 F229 W230D194-S227 PolarHBondContact OD2-OG 3.22Å; D194-S227 VanDerWaalsContact OD2-OG 3.1Å; S227-F229 PolarHBondContact O-N 3.4Å; S227-W230 WeakPolarHBondContact OG-CB 3.35Å
228P96.8Very high96Very high12 Ų1250.5 Ų50.58%0.07824%0.244CC..SBendtrans-66.3-21.3-173.622.1-30.7000114.7V217 Y220 I246V217-P228 HydrophobicContact CB-CG 4.43Å; V217-P228 HydrophobicContact CG1-CG 3.79Å; V217-P228 HydrophobicContact CG2-CG 4.41Å; Y220-P228 HydrophobicContact CD1-CB 3.87Å; Y220-P228 HydrophobicContact CD1-CG 4.03Å; Y220-P228 HydrophobicContact CD2-CB 3.64Å; Y220-P228 HydrophobicContact CD2-CG 4.22Å; Y220-P228 HydrophobicContact CE1-CB 4.01Å; Y220-P228 HydrophobicContact CE2-CB 3.74Å; Y220-P228 HydrophobicContact CG-CB 3.71Å; Y220-P228 HydrophobicContact CG-CG 3.84Å; P228-I246 HydrophobicContact CB-CD1 3.59Å; P228-I246 HydrophobicContact CB-CG1 3.87Å; P228-I246 HydrophobicContact CG-CD1 4.48Å
229F97.2Very high95.9Very high0 Ų054.4 Ų54.40%027%0.265CS..SBendtrans-120.4-10.5-172.9-59.4-63.4000113.6W213 V217 S227 N240 V241 L244 I246 I268W213-F229 AromaticContact CE2-CE2 3.99Å; W213-F229 HydrophobicContact CH2-CE2 4.07Å; W213-F229 AromaticContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CH2-CZ 3.7Å; W213-F229 HydrophobicContact CZ2-CD2 4.2Å; W213-F229 HydrophobicContact CZ2-CE1 4.38Å; W213-F229 AromaticContact CZ2-CE2 3.33Å; W213-F229 HydrophobicContact CZ2-CE2 3.33Å; W213-F229 AromaticContact CZ2-CZ 3.44Å; W213-F229 HydrophobicContact CZ2-CZ 3.44Å; W213-F229 VanDerWaalsContact CZ2-CZ 3.44Å; V217-F229 HydrophobicContact CG2-CD2 4.19Å; V217-F229 HydrophobicContact CG2-CE2 3.87Å; S227-F229 PolarHBondContact O-N 3.4Å; F229-N240 HydrophobicContact CB-CB 4.21Å; F229-N240 HydrophobicContact CD1-CB 4.09Å; F229-N240 PolarHBondContact O-ND2 3.15Å; F229-N240 VanDerWaalsContact O-ND2 3.12Å; F229-V241 HydrophobicContact CB-CG2 3.65Å; F229-V241 HydrophobicContact CD1-CG2 4.28Å; F229-V241 HydrophobicContact CD2-CG2 3.93Å; F229-V241 HydrophobicContact CG-CG2 3.7Å; F229-L244 HydrophobicContact CE1-CD1 4.36Å; F229-L244 HydrophobicContact CZ-CD1 4.1Å; F229-I246 HydrophobicContact CE1-CB 3.82Å; F229-I246 HydrophobicContact CZ-CB 4.24Å; F229-I246 HydrophobicContact CZ-CD1 4.22Å; F229-I268 HydrophobicContact CE2-CG2 4.12Å; F229-I268 HydrophobicContact CZ-CG2 3.7Å
230W94.7Very high95.9Very high154 Ų15455.8 Ų55.858%0.58327%0.272SS*.  trans-62.9141.3-174-177.493.9000111.9S227 E232S227-W230 WeakPolarHBondContact OG-CB 3.35Å; W230-E232 HydrophobicContact CH2-CG 3.86Å; W230-E232 HydrophobicContact CZ3-CG 4.39Å
231N94.1Very high95.8Very high60 Ų6055.4 Ų55.432%0.32127%0.27SS..  trans-146.1157.6171.3-164.5-94.2000108.7S233 H236 T237N231-S233 PolarHBondContact O-N 2.83Å; N231-S233 PolarHBondContact OD1-N 2.88Å; N231-H236 HydrophobicContact CB-CB 3.79Å; N231-H236 WeakPolarHBondContact OD1-CB 3.35Å; N231-H236 PolarHBondContact OD1-ND1 3.09Å; N231-T237 PolarHBondContact N-OG1 3.4Å; N231-T237 PolarHBondContact O-OG1 2.72Å
232E93Very high95.7Very high175 Ų17556.2 Ų56.282%0.81828%0.277SS*.SBendtrans-58.4-37.2175.2-65.3-176.8171.400112.2W230W230-E232 HydrophobicContact CH2-CG 3.86Å; W230-E232 HydrophobicContact CZ3-CG 4.39Å
233S95Very high95.6Very high32 Ų3262.4 Ų62.422%0.22431%0.306CS..SBendtrans-84.3125171.9162.90000110.2N231 E235 H236 T237N231-S233 PolarHBondContact O-N 2.83Å; N231-S233 PolarHBondContact OD1-N 2.88Å; S233-E235 PolarHBondContact O-N 3.26Å; S233-E235 WeakPolarHBondContact OG-CB 3.19Å; S233-E235 PolarHBondContact OG-N 3.34Å; S233-E235 PolarHBondContact OG-OE2 3.03Å; S233-H236 PolarHBondContact O-N 2.81Å; S233-H236 VanDerWaalsContact O-N 3.12Å; S233-H236 PolarHBondContact OG-N 2.84Å; S233-H236 VanDerWaalsContact OG-N 3.16Å; S233-T237 PolarHBondContact O-N 3.13Å; S233-T237 PolarHBondContact O-OG1 3.3Å
234K91.8Very high95.6Very high153 Ų15364.4 Ų64.467%0.66532%0.316SS*.Hα-helixtrans-58.6-38172.6-67.6-177.9-178.8178.10111.2H236 T237 L238K234-H236 VanDerWaalsContact C-N 3.34Å; K234-T237 WeakPolarHBondContact O-CB 3.44Å; K234-T237 PolarHBondContact O-N 3.36Å; K234-L238 VanDerWaalsContact O-CG 3.24Å; K234-L238 WeakPolarHBondContact O-CG 3.44Å; K234-L238 PolarHBondContact O-N 2.84Å
235E94.8Very high95.5Very high124 Ų12468.6 Ų68.658%0.57934%0.339SS*.Hα-helixtrans-62.2-42.3176.8-59.772.1-159.400111.1S233 L238 L239S233-E235 PolarHBondContact O-N 3.26Å; S233-E235 WeakPolarHBondContact OG-CB 3.19Å; S233-E235 PolarHBondContact OG-N 3.34Å; S233-E235 PolarHBondContact OG-OE2 3.03Å; E235-L238 PolarHBondContact O-N 3.42Å; E235-L239 WeakPolarHBondContact O-CB 3.25Å; E235-L239 VanDerWaalsContact O-CG 3.27Å; E235-L239 WeakPolarHBondContact O-CG 3.42Å; E235-L239 PolarHBondContact O-N 3.45Å
236H96.2Very high95.5Very high98 Ų9869 Ų6945%0.45434%0.335SS..Hα-helixtrans-66.7-40173.9-69.8158.5000112.7N231 S233 K234 L238 L239 N240N231-H236 HydrophobicContact CB-CB 3.79Å; N231-H236 WeakPolarHBondContact OD1-CB 3.35Å; N231-H236 PolarHBondContact OD1-ND1 3.09Å; S233-H236 PolarHBondContact O-N 2.81Å; S233-H236 VanDerWaalsContact O-N 3.12Å; S233-H236 PolarHBondContact OG-N 2.84Å; S233-H236 VanDerWaalsContact OG-N 3.16Å; K234-H236 VanDerWaalsContact C-N 3.34Å; H236-L238 VanDerWaalsContact C-N 3.34Å; H236-L238 PolarHBondContact O-N 3.26Å; H236-L239 PolarHBondContact O-N 3.12Å; H236-N240 WeakPolarHBondContact O-CB 3.46Å; H236-N240 VanDerWaalsContact O-CG 3.24Å; H236-N240 PolarHBondContact O-N 3.26Å; H236-N240 PolarHBondContact O-ND2 2.81Å
237T96.4Very high95.5Very high7 Ų767.5 Ų67.54%0.04334%0.336CS..Hα-helixtrans-58.1-47.6173.3-59.80000111.1P193 D194 N231 S233 K234 L239 N240 V241P193-T237 HydrophobicContact CB-CG2 4.3Å; D194-T237 HydrophobicContact CB-CG2 3.79Å; N231-T237 PolarHBondContact N-OG1 3.4Å; N231-T237 PolarHBondContact O-OG1 2.72Å; S233-T237 PolarHBondContact O-N 3.13Å; S233-T237 PolarHBondContact O-OG1 3.3Å; K234-T237 WeakPolarHBondContact O-CB 3.44Å; K234-T237 PolarHBondContact O-N 3.36Å; T237-L239 VanDerWaalsContact C-N 3.35Å; T237-L239 PolarHBondContact O-N 3.07Å; T237-N240 PolarHBondContact O-N 3.01Å; T237-V241 WeakPolarHBondContact O-CG2 3.16Å; T237-V241 PolarHBondContact O-N 3.15Å
238L95.5Very high95.5Very high66 Ų6669.2 Ų69.235%0.34634%0.34SS..Hα-helixtrans-61.2-43.2176.6-67171.5000111.6P193 L201 K234 E235 H236 V241 C242P193-L238 HydrophobicContact CB-CD2 3.99Å; L201-L238 HydrophobicContact CD1-CD2 3.63Å; L201-L238 HydrophobicContact CD2-CD2 3.67Å; L201-L238 HydrophobicContact CG-CD2 4.19Å; K234-L238 VanDerWaalsContact O-CG 3.24Å; K234-L238 WeakPolarHBondContact O-CG 3.44Å; K234-L238 PolarHBondContact O-N 2.84Å; E235-L238 PolarHBondContact O-N 3.42Å; H236-L238 VanDerWaalsContact C-N 3.34Å; H236-L238 PolarHBondContact O-N 3.26Å; L238-V241 PolarHBondContact O-N 2.98Å; L238-C242 WeakPolarHBondContact O-CB 3.49Å; L238-C242 PolarHBondContact O-N 3.37Å; L238-C242 PolarHBondContact O-SG 3.11Å; L238-C242 VanDerWaalsContact O-SG 3.34Å
239L96.5Very high95.5Very high83 Ų8370.4 Ų70.444%0.43535%0.347SS..Hα-helixtrans-61.8-43.1175.8-75.3168.8000111.6E235 H236 T237 V241 C242 Q243E235-L239 WeakPolarHBondContact O-CB 3.25Å; E235-L239 VanDerWaalsContact O-CG 3.27Å; E235-L239 WeakPolarHBondContact O-CG 3.42Å; E235-L239 PolarHBondContact O-N 3.45Å; H236-L239 PolarHBondContact O-N 3.12Å; T237-L239 VanDerWaalsContact C-N 3.35Å; T237-L239 PolarHBondContact O-N 3.07Å; L239-V241 PolarHBondContact O-N 3.37Å; L239-C242 PolarHBondContact O-N 2.98Å; L239-Q243 VanDerWaalsContact O-CB 3.26Å; L239-Q243 WeakPolarHBondContact O-CB 3.38Å; L239-Q243 WeakPolarHBondContact O-CG 3.48Å; L239-Q243 PolarHBondContact O-N 2.98Å
240N97.2Very high95.4Very high28 Ų2876.7 Ų76.715%0.1538%0.381CS..Hα-helixtrans-60.1-46.8178.6-74.2-21.2000111.3F229 H236 T237 L244 N245F229-N240 HydrophobicContact CB-CB 4.21Å; F229-N240 HydrophobicContact CD1-CB 4.09Å; F229-N240 PolarHBondContact O-ND2 3.15Å; F229-N240 VanDerWaalsContact O-ND2 3.12Å; H236-N240 WeakPolarHBondContact O-CB 3.46Å; H236-N240 VanDerWaalsContact O-CG 3.24Å; H236-N240 PolarHBondContact O-N 3.26Å; H236-N240 PolarHBondContact O-ND2 2.81Å; T237-N240 PolarHBondContact O-N 3.01Å; N240-L244 CarbonylContact O-C 3.49Å; N240-L244 WeakPolarHBondContact O-CA 3.31Å; N240-L244 PolarHBondContact O-N 3.03Å; N240-N245 HydrophobicContact CB-CB 4.29Å; N240-N245 PolarHBondContact O-N 3.38Å; N240-N245 PolarHBondContact OD1-ND2 2.99Å
241V97.1Very high95.4Very high0 Ų076.1 Ų76.10%039%0.385CS..Hα-helixtrans-63.2-54.1176.2175.20000111A196 P198 L201 W213 F229 T237 L238 L239 Q243 L244A196-V241 WeakPolarHBondContact O-CG1 3.47Å; P198-V241 HydrophobicContact CG-CG1 3.99Å; L201-V241 HydrophobicContact CD1-CB 3.68Å; L201-V241 HydrophobicContact CD1-CG1 3.45Å; L201-V241 VanDerWaalsContact CD1-CG1 3.45Å; L201-V241 HydrophobicContact CD1-CG2 4.32Å; L201-V241 HydrophobicContact CG-CG1 4.44Å; W213-V241 HydrophobicContact CZ2-CG1 3.83Å; F229-V241 HydrophobicContact CB-CG2 3.65Å; F229-V241 HydrophobicContact CD1-CG2 4.28Å; F229-V241 HydrophobicContact CD2-CG2 3.93Å; F229-V241 HydrophobicContact CG-CG2 3.7Å; T237-V241 WeakPolarHBondContact O-CG2 3.16Å; T237-V241 PolarHBondContact O-N 3.15Å; L238-V241 PolarHBondContact O-N 2.98Å; L239-V241 PolarHBondContact O-N 3.37Å; V241-Q243 PolarHBondContact O-N 3.32Å; V241-L244 PolarHBondContact O-N 2.92Å
242C95.3Very high95.4Very high25 Ų2575 Ų7517%0.16938%0.378CS..Hα-helixtrans-63.4-29-175.1-71.50000113.2N202 L238 L239 K270N202-C242 PolarHBondContact OD1-SG 2.94Å; L238-C242 WeakPolarHBondContact O-CB 3.49Å; L238-C242 PolarHBondContact O-N 3.37Å; L238-C242 PolarHBondContact O-SG 3.11Å; L238-C242 VanDerWaalsContact O-SG 3.34Å; L239-C242 PolarHBondContact O-N 2.98Å; C242-K270 WeakPolarHBondContact O-CE 3.14Å; C242-K270 PolarHBondContact O-NZ 2.78Å
243Q95.6Very high95.6Very high130 Ų13067.4 Ų67.461%0.60734%0.343SS*.Hα-helixtrans-94.7-4.3178-62.8-176.7-3.200113.5L239 V241 N245L239-Q243 VanDerWaalsContact O-CB 3.26Å; L239-Q243 WeakPolarHBondContact O-CB 3.38Å; L239-Q243 WeakPolarHBondContact O-CG 3.48Å; L239-Q243 PolarHBondContact O-N 2.98Å; V241-Q243 PolarHBondContact O-N 3.32Å; Q243-N245 PolarHBondContact O-N 3.35Å
244L96.3Very high95.6Very high50 Ų5072.4 Ų72.426%0.26236%0.363SS..THydrogen-bonded Turntrans53.744-169.8-171.560.7000111.4W213 F229 N240 V241 I246 I268 K270W213-L244 HydrophobicContact CH2-CD1 3.59Å; W213-L244 HydrophobicContact CZ3-CD1 3.87Å; F229-L244 HydrophobicContact CE1-CD1 4.36Å; F229-L244 HydrophobicContact CZ-CD1 4.1Å; N240-L244 CarbonylContact O-C 3.49Å; N240-L244 WeakPolarHBondContact O-CA 3.31Å; N240-L244 PolarHBondContact O-N 3.03Å; V241-L244 PolarHBondContact O-N 2.92Å; L244-I246 HydrophobicContact CD1-CG2 4.28Å; L244-I246 PolarHBondContact O-N 3.24Å; L244-I246 VanDerWaalsContact O-N 3.12Å; L244-I268 HydrophobicContact CD1-CG2 3.64Å; L244-K270 HydrophobicContact CD2-CB 4.14Å
245N96.2Very high95.7Very high95 Ų9571.6 Ų71.651%0.50837%0.365SS..  trans-82.683.6174.1-172.232.9000109.4N240 Q243N240-N245 HydrophobicContact CB-CB 4.29Å; N240-N245 PolarHBondContact O-N 3.38Å; N240-N245 PolarHBondContact OD1-ND2 2.99Å; Q243-N245 PolarHBondContact O-N 3.35Å
246I95.9Very high95.7Very high31 Ų3166.8 Ų66.816%0.15934%0.344CS..  trans-114141176.9-174.3165.2000109.4Y220 P228 F229 L244 Y248 I268Y220-I246 HydrophobicContact CD2-CD1 3.96Å; Y220-I246 HydrophobicContact CE2-CD1 4.11Å; Y220-I246 HydrophobicContact CE2-CG1 4.2Å; P228-I246 HydrophobicContact CB-CD1 3.59Å; P228-I246 HydrophobicContact CB-CG1 3.87Å; P228-I246 HydrophobicContact CG-CD1 4.48Å; F229-I246 HydrophobicContact CE1-CB 3.82Å; F229-I246 HydrophobicContact CZ-CB 4.24Å; F229-I246 HydrophobicContact CZ-CD1 4.22Å; L244-I246 HydrophobicContact CD1-CG2 4.28Å; L244-I246 PolarHBondContact O-N 3.24Å; L244-I246 VanDerWaalsContact O-N 3.12Å; I246-Y248 HydrophobicContact CD1-CE1 4.08Å; I246-Y248 HydrophobicContact CG1-CE1 4.27Å; I246-Y248 HydrophobicContact CG2-CE2 4.21Å; I246-I268 HydrophobicContact CD1-CD1 3.8Å; I246-I268 HydrophobicContact CD1-CG2 4.45Å
247S94.4Very high95.8Very high73 Ų7364.1 Ų64.151%0.5134%0.336SS..  trans-118.4159.3174.570.60000111.2Y220Y220-S247 PolarHBondContact OH-O 3.21Å
248Y96Very high95.8Very high57 Ų5772 Ų7222%0.22438%0.375CS..  trans-13172178-55.8-78.2000108.5Y220 I246 F253 M261 M264 K265Y220-Y248 HydrophobicContact CD2-CE1 4.33Å; Y220-Y248 HydrophobicContact CE2-CD1 4.19Å; Y220-Y248 HydrophobicContact CE2-CE1 4.2Å; I246-Y248 HydrophobicContact CD1-CE1 4.08Å; I246-Y248 HydrophobicContact CG1-CE1 4.27Å; I246-Y248 HydrophobicContact CG2-CE2 4.21Å; Y248-F253 VanDerWaalsContact CA-CD2 3.48Å; Y248-F253 HydrophobicContact CD1-CD1 4.33Å; Y248-F253 HydrophobicContact CD1-CD2 4.38Å; Y248-F253 AromaticContact CD1-CE1 3.9Å; Y248-F253 HydrophobicContact CD1-CE1 3.9Å; Y248-F253 AromaticContact CD1-CE2 3.95Å; Y248-F253 HydrophobicContact CD1-CE2 3.95Å; Y248-F253 AromaticContact CD1-CZ 3.69Å; Y248-F253 HydrophobicContact CD1-CZ 3.69Å; Y248-F253 HydrophobicContact CE1-CZ 4.44Å; Y248-M261 HydrophobicContact CD1-CE 3.64Å; Y248-M261 HydrophobicContact CD1-SD 4.09Å; Y248-M261 HydrophobicContact CE1-CE 4.31Å; Y248-M261 HydrophobicContact CG-CE 3.76Å; Y248-M264 HydrophobicContact CD1-CE 4.06Å; Y248-M264 HydrophobicContact CE1-CE 3.6Å; Y248-K265 WeakPolarHBondContact OH-CG 3.26Å
249P95.8Very high95.8Very high37 Ų3770.2 Ų70.224%0.2437%0.372CS..  trans-68.5137.1-17329.5-36.1000111.3H251 L252 F253P249-H251 PolarHBondContact O-N 3.49Å; P249-H251 VanDerWaalsContact O-N 3.1Å; P249-L252 HydrophobicContact CG-CB 4.24Å; P249-L252 HydrophobicContact CG-CD1 3.74Å; P249-L252 HydrophobicContact CG-CG 3.96Å; P249-L252 PolarHBondContact O-N 3.47Å; P249-F253 WeakPolarHBondContact O-CD2 3.18Å; P249-F253 PolarHBondContact O-N 3.48Å; P249-F253 VanDerWaalsContact O-N 3.15Å
250D95.4Very high95.9Very high133 Ų13366.3 Ų66.371%0.71135%0.351SS*.Hα-helixtrans-53.7-38.6-172.3-65.8-24.8000113L252 F253 Q254D250-L252 PolarHBondContact O-N 3.21Å; D250-F253 PolarHBondContact O-N 3.18Å; D250-F253 VanDerWaalsContact O-N 3.16Å; D250-Q254 WeakPolarHBondContact O-CB 3.41Å; D250-Q254 WeakPolarHBondContact O-CG 3.19Å; D250-Q254 PolarHBondContact O-N 2.75Å
251H95Very high95.9Very high142 Ų14266.5 Ų66.566%0.65735%0.352SS*.Hα-helixtrans-63.6-21.9179.970.9-85.7000114.5P249P249-H251 PolarHBondContact O-N 3.49Å; P249-H251 VanDerWaalsContact O-N 3.1Å
252L95.2Very high95.9Very high35 Ų3569.4 Ų69.418%0.18337%0.372CS..Hα-helixtrans-96.9-27.5173.8-59.7-178.5000112.3T224 E226 P249 D250 I256T224-L252 HydrophobicContact CG2-CB 4.13Å; E226-L252 HydrophobicContact CB-CD1 4.24Å; E226-L252 HydrophobicContact CG-CD1 4.05Å; P249-L252 HydrophobicContact CG-CB 4.24Å; P249-L252 HydrophobicContact CG-CD1 3.74Å; P249-L252 HydrophobicContact CG-CG 3.96Å; P249-L252 PolarHBondContact O-N 3.47Å; D250-L252 PolarHBondContact O-N 3.21Å; L252-I256 WeakPolarHBondContact O-CD1 3.44Å
253F96.4Very high96Very high17 Ų1768.2 Ų68.28%0.07536%0.364CS..Hα-helixtrans-109.7-6-167.5-76.6-80.6000115.2Y220 T224 Y248 P249 D250 D255 I256 M261 M264Y220-F253 AromaticContact CD2-CZ 3.75Å; Y220-F253 HydrophobicContact CD2-CZ 3.75Å; Y220-F253 HydrophobicContact CE1-CZ 4.36Å; Y220-F253 HydrophobicContact CE2-CE1 4.5Å; Y220-F253 AromaticContact CE2-CE2 3.71Å; Y220-F253 HydrophobicContact CE2-CE2 3.71Å; Y220-F253 AromaticContact CE2-CZ 3.32Å; Y220-F253 HydrophobicContact CE2-CZ 3.32Å; Y220-F253 HydrophobicContact CG-CZ 4.44Å; Y220-F253 AromaticContact CZ-CE2 3.71Å; Y220-F253 AromaticContact CZ-CZ 3.66Å; T224-F253 HydrophobicContact CG2-CE1 3.94Å; T224-F253 HydrophobicContact CG2-CE2 3.83Å; T224-F253 HydrophobicContact CG2-CZ 3.47Å; T224-F253 VanDerWaalsContact CG2-CZ 3.47Å; Y248-F253 VanDerWaalsContact CA-CD2 3.48Å; Y248-F253 HydrophobicContact CD1-CD1 4.33Å; Y248-F253 HydrophobicContact CD1-CD2 4.38Å; Y248-F253 AromaticContact CD1-CE1 3.9Å; Y248-F253 HydrophobicContact CD1-CE1 3.9Å; Y248-F253 AromaticContact CD1-CE2 3.95Å; Y248-F253 HydrophobicContact CD1-CE2 3.95Å; Y248-F253 AromaticContact CD1-CZ 3.69Å; Y248-F253 HydrophobicContact CD1-CZ 3.69Å; Y248-F253 HydrophobicContact CE1-CZ 4.44Å; P249-F253 WeakPolarHBondContact O-CD2 3.18Å; P249-F253 PolarHBondContact O-N 3.48Å; P249-F253 VanDerWaalsContact O-N 3.15Å; D250-F253 PolarHBondContact O-N 3.18Å; D250-F253 VanDerWaalsContact O-N 3.16Å; F253-D255 PolarHBondContact O-N 2.85Å; F253-I256 HydrophobicContact CD1-CB 4.2Å; F253-I256 HydrophobicContact CD1-CD1 3.45Å; F253-I256 VanDerWaalsContact CD1-CD1 3.45Å; F253-I256 HydrophobicContact CD1-CG1 4.33Å; F253-I256 HydrophobicContact CD1-CG2 4.37Å; F253-I256 HydrophobicContact CE1-CD1 3.57Å; F253-I256 HydrophobicContact CG-CD1 4.19Å; F253-I256 HydrophobicContact CZ-CD1 4.41Å; F253-I256 PolarHBondContact O-N 3.34Å; F253-M261 HydrophobicContact CD1-CE 3.77Å; F253-M261 HydrophobicContact CD1-CG 4.33Å; F253-M261 HydrophobicContact CD1-SD 3.17Å; F253-M261 WeakPolarHBondContact CD1-SD 2.87Å; F253-M261 HydrophobicContact CE1-CE 4.29Å; F253-M261 HydrophobicContact CE1-SD 3.42Å; F253-M261 WeakPolarHBondContact CE1-SD 3.24Å; F253-M261 HydrophobicContact CG-CE 4.26Å; F253-M261 HydrophobicContact CG-SD 4.19Å; F253-M264 HydrophobicContact CE1-CE 3.58Å; F253-M264 HydrophobicContact CZ-CE 4.12Å
254Q94.8Very high96.1Very high136 Ų13662 Ų6264%0.63634%0.335SS*.THydrogen-bonded Turntrans-57.3-33.8-178.356.8172.135.600113.6D250D250-Q254 WeakPolarHBondContact O-CB 3.41Å; D250-Q254 WeakPolarHBondContact O-CG 3.19Å; D250-Q254 PolarHBondContact O-N 2.75Å
255D93.7Very high96.2Very high136 Ų13664 Ų6473%0.72734%0.341SS*.THydrogen-bonded Turntrans-103.9-0.7-175.5-62.2-51.4000112.8F253F253-D255 PolarHBondContact O-N 2.85Å
256I96.1Very high96.2Very high24 Ų2464.4 Ų64.412%0.12334%0.336CS..SBendtrans-84.3131.9178.6-66.5176.2000109.5L223 T224 L252 F253 A260 M261L223-I256 HydrophobicContact CB-CD1 3.71Å; L223-I256 HydrophobicContact CB-CG1 4.4Å; L223-I256 HydrophobicContact CD1-CG2 4.14Å; T224-I256 HydrophobicContact CG2-CD1 3.72Å; L252-I256 WeakPolarHBondContact O-CD1 3.44Å; F253-I256 HydrophobicContact CD1-CB 4.2Å; F253-I256 HydrophobicContact CD1-CD1 3.45Å; F253-I256 VanDerWaalsContact CD1-CD1 3.45Å; F253-I256 HydrophobicContact CD1-CG1 4.33Å; F253-I256 HydrophobicContact CD1-CG2 4.37Å; F253-I256 HydrophobicContact CE1-CD1 3.57Å; F253-I256 HydrophobicContact CG-CD1 4.19Å; F253-I256 HydrophobicContact CZ-CD1 4.41Å; F253-I256 PolarHBondContact O-N 3.34Å; I256-A260 HydrophobicContact CG2-CB 3.62Å; I256-M261 HydrophobicContact CG2-CG 3.93Å; I256-M261 HydrophobicContact CG2-SD 4.41Å
257S96.6Very high96.4Very high41 Ų4162.9 Ų62.929%0.28733%0.328SS..  trans-65.1152.2-176.682.90000113E126 G259 A260 M261E126-S257 VanDerWaalsContact CD-OG 3.27Å; E126-S257 VanDerWaalsContact OE1-CB 3.26Å; E126-S257 WeakPolarHBondContact OE1-CB 3.47Å; E126-S257 PolarHBondContact OE1-OG 2.91Å; E126-S257 VanDerWaalsContact OE2-CB 3.24Å; E126-S257 WeakPolarHBondContact OE2-CB 3.33Å; E126-S257 PolarHBondContact OE2-N 2.73Å; E126-S257 PolarHBondContact OE2-OG 3.47Å; S257-G259 PolarHBondContact O-N 2.82Å; S257-G259 PolarHBondContact OG-N 3Å; S257-A260 WeakPolarHBondContact O-CB 3.45Å; S257-A260 PolarHBondContact O-N 2.83Å; S257-A260 VanDerWaalsContact O-N 3.16Å; S257-A260 PolarHBondContact OG-N 2.61Å; S257-A260 VanDerWaalsContact OG-N 3.08Å; S257-M261 PolarHBondContact O-N 3.42Å
258M96.2Very high96.5Very high174 Ų17459.7 Ų59.786%0.85731%0.305SS*.Hα-helixtrans-58.1-29.8171.9-69.1-172.4-70.400112.2S262M258-S262 VanDerWaalsContact O-CB 3.22Å; M258-S262 WeakPolarHBondContact O-CB 3.41Å; M258-S262 PolarHBondContact O-N 3.1Å
259G97.1Very high96.6Very high28 Ų2860.2 Ų60.229%0.28931%0.31SS..Hα-helixtrans-64.7-50.2175.600000111.5S257 M261 S262 F263 W286S257-G259 PolarHBondContact O-N 2.82Å; S257-G259 PolarHBondContact OG-N 3Å; G259-M261 VanDerWaalsContact C-N 3.34Å; G259-M261 PolarHBondContact O-N 3.48Å; G259-S262 PolarHBondContact O-N 2.74Å; G259-F263 WeakPolarHBondContact O-CB 3.33Å; G259-F263 PolarHBondContact O-N 3.44Å; G259-W286 VanDerWaalsContact C-CD1 3.45Å; G259-W286 VanDerWaalsContact C-CG 3.43Å
260A97.4Very high96.7Very high0 Ų063.2 Ų63.20%032%0.319CS..Hα-helixtrans-58.4-47.1176.400000111.4L223 I256 S257 S262 F263 M264 W286L223-A260 HydrophobicContact CD1-CB 3.96Å; I256-A260 HydrophobicContact CG2-CB 3.62Å; S257-A260 WeakPolarHBondContact O-CB 3.45Å; S257-A260 PolarHBondContact O-N 2.83Å; S257-A260 VanDerWaalsContact O-N 3.16Å; S257-A260 PolarHBondContact OG-N 2.61Å; S257-A260 VanDerWaalsContact OG-N 3.08Å; A260-S262 PolarHBondContact O-N 3.18Å; A260-F263 PolarHBondContact O-N 2.84Å; A260-M264 WeakPolarHBondContact O-CB 3.17Å; A260-M264 PolarHBondContact O-N 3.17Å; A260-W286 HydrophobicContact CB-CD2 4.15Å; A260-W286 HydrophobicContact CB-CH2 4.13Å; A260-W286 HydrophobicContact CB-CZ2 3.37Å; A260-W286 VanDerWaalsContact N-CD1 3.26Å
261M97.1Very high96.7Very high32 Ų3260.1 Ų60.116%0.15830%0.303CS..Hα-helixtrans-60-45.4177.4-77.6-65.6-87.300112.9Y248 F253 I256 S257 G259 M264 K265Y248-M261 HydrophobicContact CD1-CE 3.64Å; Y248-M261 HydrophobicContact CD1-SD 4.09Å; Y248-M261 HydrophobicContact CE1-CE 4.31Å; Y248-M261 HydrophobicContact CG-CE 3.76Å; F253-M261 HydrophobicContact CD1-CE 3.77Å; F253-M261 HydrophobicContact CD1-CG 4.33Å; F253-M261 HydrophobicContact CD1-SD 3.17Å; F253-M261 WeakPolarHBondContact CD1-SD 2.87Å; F253-M261 HydrophobicContact CE1-CE 4.29Å; F253-M261 HydrophobicContact CE1-SD 3.42Å; F253-M261 WeakPolarHBondContact CE1-SD 3.24Å; F253-M261 HydrophobicContact CG-CE 4.26Å; F253-M261 HydrophobicContact CG-SD 4.19Å; I256-M261 HydrophobicContact CG2-CG 3.93Å; I256-M261 HydrophobicContact CG2-SD 4.41Å; S257-M261 PolarHBondContact O-N 3.42Å; G259-M261 VanDerWaalsContact C-N 3.34Å; G259-M261 PolarHBondContact O-N 3.48Å; M261-M264 HydrophobicContact SD-CE 3.44Å; M261-M264 WeakPolarHBondContact SD-CE 3.26Å; M261-K265 WeakPolarHBondContact O-CB 3.47Å; M261-K265 WeakPolarHBondContact O-CG 3.44Å; M261-K265 PolarHBondContact O-N 2.94Å
262S97.2Very high96.9Very high61 Ų6154.2 Ų54.243%0.42728%0.277SS..Hα-helixtrans-66.1-40.3178.1179.40000112.2M258 G259 A260 R266M258-S262 VanDerWaalsContact O-CB 3.22Å; M258-S262 WeakPolarHBondContact O-CB 3.41Å; M258-S262 PolarHBondContact O-N 3.1Å; G259-S262 PolarHBondContact O-N 2.74Å; A260-S262 PolarHBondContact O-N 3.18Å; S262-R266 WeakPolarHBondContact O-CG 3.36Å; S262-R266 PolarHBondContact O-N 3.14Å; S262-R266 PolarHBondContact O-NE 3.25Å
263F98.1Very high96.9Very high1 Ų162.7 Ų62.70%0.00431%0.306CS..Hα-helixtrans-61.2-58.7174.8-179-105.9000110.9L133 L137 V219 G259 A260 K265 R266 L267 C281 D284 W286 L287L133-F263 HydrophobicContact CD1-CE1 4.32Å; L137-F263 HydrophobicContact CD1-CZ 4.2Å; V219-F263 HydrophobicContact CG1-CD1 4.45Å; V219-F263 HydrophobicContact CG2-CD1 4.28Å; V219-F263 HydrophobicContact CG2-CE1 3.92Å; G259-F263 WeakPolarHBondContact O-CB 3.33Å; G259-F263 PolarHBondContact O-N 3.44Å; A260-F263 PolarHBondContact O-N 2.84Å; F263-K265 VanDerWaalsContact C-N 3.32Å; F263-K265 PolarHBondContact O-N 2.95Å; F263-R266 WeakPolarHBondContact O-CB 3.4Å; F263-R266 PolarHBondContact O-N 2.92Å; F263-L267 HydrophobicContact CD1-CD1 4.06Å; F263-L267 HydrophobicContact CD2-CD1 3.85Å; F263-L267 HydrophobicContact CE1-CD1 3.84Å; F263-L267 HydrophobicContact CE1-CD2 3.79Å; F263-L267 HydrophobicContact CE2-CD1 3.64Å; F263-L267 HydrophobicContact CG-CD1 4.07Å; F263-L267 HydrophobicContact CZ-CD1 3.64Å; F263-L267 HydrophobicContact CZ-CD2 3.86Å; F263-L267 HydrophobicContact CZ-CG 4.43Å; F263-L267 WeakPolarHBondContact O-CD1 3.5Å; F263-L267 PolarHBondContact O-N 2.83Å; F263-C281 HydrophobicContact CE2-CB 4.03Å; F263-C281 HydrophobicContact CZ-CB 4.07Å; F263-D284 HydrophobicContact CD2-CB 3.67Å; F263-D284 VanDerWaalsContact CD2-CG 3.45Å; F263-D284 HydrophobicContact CE2-CB 3.71Å; F263-W286 HydrophobicContact CB-CB 4.37Å; F263-W286 HydrophobicContact CB-CD2 4.19Å; F263-W286 HydrophobicContact CB-CE3 3.58Å; F263-W286 HydrophobicContact CB-CZ3 4.25Å; F263-W286 AromaticContact CD1-CE3 3.42Å; F263-W286 HydrophobicContact CD1-CE3 3.42Å; F263-W286 VanDerWaalsContact CD1-CE3 3.42Å; F263-W286 AromaticContact CD1-CZ3 3.35Å; F263-W286 HydrophobicContact CD1-CZ3 3.35Å; F263-W286 HydrophobicContact CD2-CE3 4.31Å; F263-W286 HydrophobicContact CE1-CE3 4.15Å; F263-W286 AromaticContact CE1-CZ3 3.88Å; F263-W286 HydrophobicContact CE1-CZ3 3.88Å; F263-W286 AromaticContact CG-CE3 3.51Å; F263-W286 HydrophobicContact CG-CE3 3.51Å; F263-W286 AromaticContact CG-CZ3 3.96Å; F263-W286 HydrophobicContact CG-CZ3 3.96Å; F263-L287 HydrophobicContact CE1-CD1 4.31Å; F263-L287 HydrophobicContact CE2-CD1 3.84Å; F263-L287 HydrophobicContact CE2-CG 4.47Å; F263-L287 HydrophobicContact CZ-CD1 3.63Å; F263-L287 HydrophobicContact CZ-CG 4.4Å
264M97.5Very high97Very high0 Ų066.7 Ų66.70%033%0.328CS..Hα-helixtrans-54.2-46.1-178.9179.2179.950.400112.5V219 Y220 Y248 F253 A260 M261 R266 L267 I268V219-M264 HydrophobicContact CG1-CB 4.09Å; V219-M264 HydrophobicContact CG1-CG 4.42Å; Y220-M264 WeakPolarHBondContact CA-SD 3.47Å; Y220-M264 WeakPolarHBondContact CB-SD 3.43Å; Y220-M264 HydrophobicContact CD2-CE 4.25Å; Y220-M264 HydrophobicContact CD2-SD 3.53Å; Y220-M264 VanDerWaalsContact CD2-SD 3.53Å; Y220-M264 HydrophobicContact CG-SD 3.85Å; Y248-M264 HydrophobicContact CD1-CE 4.06Å; Y248-M264 HydrophobicContact CE1-CE 3.6Å; F253-M264 HydrophobicContact CE1-CE 3.58Å; F253-M264 HydrophobicContact CZ-CE 4.12Å; A260-M264 WeakPolarHBondContact O-CB 3.17Å; A260-M264 PolarHBondContact O-N 3.17Å; M261-M264 HydrophobicContact SD-CE 3.44Å; M261-M264 WeakPolarHBondContact SD-CE 3.26Å; M264-R266 VanDerWaalsContact C-N 3.3Å; M264-R266 PolarHBondContact O-N 2.66Å; M264-L267 PolarHBondContact O-N 2.85Å; M264-L267 VanDerWaalsContact O-N 3.12Å; M264-I268 HydrophobicContact CG-CD1 3.81Å; M264-I268 HydrophobicContact CG-CG1 4.48Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 3.43Å; M264-I268 VanDerWaalsContact O-N 3.09Å
265K97.5Very high97.2Very high91 Ų9160.8 Ų60.840%0.39630%0.3SS..Hα-helixtrans-59.8-36.7177.3-77.9178177.7-178.40112.8Y248 M261 F263 L267 Q269Y248-K265 WeakPolarHBondContact OH-CG 3.26Å; M261-K265 WeakPolarHBondContact O-CB 3.47Å; M261-K265 WeakPolarHBondContact O-CG 3.44Å; M261-K265 PolarHBondContact O-N 2.94Å; F263-K265 VanDerWaalsContact C-N 3.32Å; F263-K265 PolarHBondContact O-N 2.95Å; K265-L267 VanDerWaalsContact C-N 3.31Å; K265-L267 PolarHBondContact O-N 2.87Å; K265-Q269 PolarHBondContact O-NE2 2.82Å
266R97.7Very high97.4Very high103 Ų10355.9 Ų55.939%0.38928%0.276SS..Hα-helixtrans-69.7-26.9177.3-78.2-179.3-71.1159.91.3113.4S262 F263 M264 Q269 P276 D284S262-R266 WeakPolarHBondContact O-CG 3.36Å; S262-R266 PolarHBondContact O-N 3.14Å; S262-R266 PolarHBondContact O-NE 3.25Å; F263-R266 WeakPolarHBondContact O-CB 3.4Å; F263-R266 PolarHBondContact O-N 2.92Å; M264-R266 VanDerWaalsContact C-N 3.3Å; M264-R266 PolarHBondContact O-N 2.66Å; R266-Q269 WeakPolarHBondContact O-CG 3.4Å; R266-P276 VanDerWaalsContact O-CD 3.26Å; R266-P276 WeakPolarHBondContact O-CD 3.45Å; R266-D284 IonicContact CZ-OD2 3.01Å; R266-D284 IonicContact NH1-OD2 2.71Å; R266-D284 PolarHBondContact NH1-OD2 2.94Å; R266-D284 IonicContact NH2-OD1 3.02Å; R266-D284 PolarHBondContact NH2-OD1 3.32Å; R266-D284 IonicContact NH2-OD2 2.63Å; R266-D284 PolarHBondContact NH2-OD2 3.49Å
267L98.5Very high97.5Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-80-41.1177.7-81.770.9000111.5I212 V215 F263 M264 K265 Q269 R275 P276I212-L267 HydrophobicContact CG2-CB 4.21Å; I212-L267 HydrophobicContact CG2-CD2 4.23Å; I212-L267 HydrophobicContact CG2-CG 3.75Å; V215-L267 HydrophobicContact CB-CD2 4.1Å; V215-L267 HydrophobicContact CG1-CD2 3.7Å; F263-L267 HydrophobicContact CD1-CD1 4.06Å; F263-L267 HydrophobicContact CD2-CD1 3.85Å; F263-L267 HydrophobicContact CE1-CD1 3.84Å; F263-L267 HydrophobicContact CE1-CD2 3.79Å; F263-L267 HydrophobicContact CE2-CD1 3.64Å; F263-L267 HydrophobicContact CG-CD1 4.07Å; F263-L267 HydrophobicContact CZ-CD1 3.64Å; F263-L267 HydrophobicContact CZ-CD2 3.86Å; F263-L267 HydrophobicContact CZ-CG 4.43Å; F263-L267 WeakPolarHBondContact O-CD1 3.5Å; F263-L267 PolarHBondContact O-N 2.83Å; M264-L267 PolarHBondContact O-N 2.85Å; M264-L267 VanDerWaalsContact O-N 3.12Å; K265-L267 VanDerWaalsContact C-N 3.31Å; K265-L267 PolarHBondContact O-N 2.87Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 2.78Å; L267-R275 WeakPolarHBondContact O-CD 3.45Å; L267-R275 WeakPolarHBondContact O-CG 3.31Å; L267-P276 HydrophobicContact CD1-CG 4.29Å
268I98.1Very high97.6Very high5 Ų555 Ų553%0.02627%0.272CS..SBendtrans-86.264.8-177.6-49.4176.5000110.3W213 F229 L244 I246 M264W213-I268 HydrophobicContact CD2-CG2 4.42Å; W213-I268 HydrophobicContact CE3-CG2 4.01Å; W213-I268 HydrophobicContact CH2-CG2 3.7Å; W213-I268 HydrophobicContact CZ2-CG2 4.1Å; W213-I268 HydrophobicContact CZ3-CG2 3.64Å; F229-I268 HydrophobicContact CE2-CG2 4.12Å; F229-I268 HydrophobicContact CZ-CG2 3.7Å; L244-I268 HydrophobicContact CD1-CG2 3.64Å; I246-I268 HydrophobicContact CD1-CD1 3.8Å; I246-I268 HydrophobicContact CD1-CG2 4.45Å; M264-I268 HydrophobicContact CG-CD1 3.81Å; M264-I268 HydrophobicContact CG-CG1 4.48Å; M264-I268 WeakPolarHBondContact O-CG1 3.37Å; M264-I268 PolarHBondContact O-N 3.43Å; M264-I268 VanDerWaalsContact O-N 3.09Å
269Q98Very high97.7Very high68 Ų6850.4 Ų50.432%0.31825%0.254SS..  trans-104.8136.5175-65.9-63.7-42.600111K265 R266 L267 N271 D274 R275K265-Q269 PolarHBondContact O-NE2 2.82Å; R266-Q269 WeakPolarHBondContact O-CG 3.4Å; L267-Q269 VanDerWaalsContact C-N 3.26Å; L267-Q269 PolarHBondContact O-N 2.78Å; Q269-N271 PolarHBondContact O-N 2.99Å; Q269-D274 HydrophobicContact CB-CB 4.14Å; Q269-D274 HydrophobicContact CG-CB 4.38Å; Q269-R275 HydrophobicContact CB-CG 3.87Å; Q269-R275 VanDerWaalsContact O-CZ 3.31Å; Q269-R275 PolarHBondContact O-NE 3Å; Q269-R275 PolarHBondContact O-NH2 2.85Å
270K96.7Very high97.8Very high101 Ų10153.6 Ų53.644%0.43926%0.264SS..SBendtrans-61.8-44.3-176.7-174.5170.6-177.8166.70112.2C242 L244 R275C242-K270 WeakPolarHBondContact O-CE 3.14Å; C242-K270 PolarHBondContact O-NZ 2.78Å; L244-K270 HydrophobicContact CD2-CB 4.14Å; K270-R275 PolarHBondContact O-NH2 2.81Å
271N97Very high97.8Very high68 Ų6853.7 Ų53.736%0.36427%0.265SS..SBendtrans-85.7123178.4171.513.8000110Q269 R273 D274Q269-N271 PolarHBondContact O-N 2.99Å; N271-R273 PolarHBondContact O-N 2.79Å; N271-R273 PolarHBondContact OD1-N 3.46Å; N271-R273 VanDerWaalsContact OD1-N 3.14Å; N271-D274 VanDerWaalsContact CB-OD2 3.24Å; N271-D274 WeakPolarHBondContact CB-OD2 3.02Å; N271-D274 PolarHBondContact ND2-OD2 2.79Å; N271-D274 PolarHBondContact O-N 3.27Å
272P97.3Very high97.8Very high18 Ų1854.1 Ų54.112%0.11727%0.266CS..G310 helixtrans-59.3-22.1-178.3-25.435000114.7E199 T209 D274E199-P272 HydrophobicContact CB-CG 4.24Å; E199-P272 VanDerWaalsContact CD-CG 3.46Å; E199-P272 HydrophobicContact CG-CG 4Å; T209-P272 WeakPolarHBondContact CB-O 3.33Å; T209-P272 PolarHBondContact OG1-O 2.76Å; P272-D274 VanDerWaalsContact C-N 3.33Å
273R96.9Very high97.8Very high213 Ų21356.1 Ų56.180%0.80427%0.271SS*.G310 helixtrans-76-21.6178.8-62.7-179.1178.4173.80.1113.7N271 R275N271-R273 PolarHBondContact O-N 2.79Å; N271-R273 PolarHBondContact OD1-N 3.46Å; N271-R273 VanDerWaalsContact OD1-N 3.14Å; R273-R275 VanDerWaalsContact C-N 3.28Å
274D98.1Very high97.8Very high101 Ų10156.5 Ų56.554%0.5427%0.274SS..G310 helixtrans-88.7-5179.5-58.4-32.8000111.2Q269 N271 P272Q269-D274 HydrophobicContact CB-CB 4.14Å; Q269-D274 HydrophobicContact CG-CB 4.38Å; N271-D274 VanDerWaalsContact CB-OD2 3.24Å; N271-D274 WeakPolarHBondContact CB-OD2 3.02Å; N271-D274 PolarHBondContact ND2-OD2 2.79Å; N271-D274 PolarHBondContact O-N 3.27Å; P272-D274 VanDerWaalsContact C-N 3.33Å
275R98.4Very high97.7Very high11 Ų1161.1 Ų61.14%0.04230%0.304CS..SBendtrans-84.4138.1175.2-59.9179.8-159.4145.17.8110.2E199 T209 I212 L267 Q269 K270 R273E199-R275 IonicContact OE1-CZ 2.88Å; E199-R275 IonicContact OE1-NH1 2.71Å; E199-R275 PolarHBondContact OE1-NH1 2.77Å; E199-R275 IonicContact OE1-NH2 3.63Å; E199-R275 IonicContact OE2-CZ 2.69Å; E199-R275 IonicContact OE2-NH1 3.37Å; E199-R275 PolarHBondContact OE2-NH1 3.17Å; E199-R275 IonicContact OE2-NH2 3.99Å; E199-R275 PolarHBondContact OE2-NH2 3.17Å; T209-R275 HydrophobicContact CG2-CB 4.34Å; T209-R275 WeakPolarHBondContact O-CD 3.36Å; T209-R275 PolarHBondContact O-NH1 2.87Å; I212-R275 HydrophobicContact CG2-CB 4.32Å; L267-R275 WeakPolarHBondContact O-CD 3.45Å; L267-R275 WeakPolarHBondContact O-CG 3.31Å; Q269-R275 HydrophobicContact CB-CG 3.87Å; Q269-R275 VanDerWaalsContact O-CZ 3.31Å; Q269-R275 PolarHBondContact O-NE 3Å; Q269-R275 PolarHBondContact O-NH2 2.85Å; K270-R275 PolarHBondContact O-NH2 2.81Å; R273-R275 VanDerWaalsContact C-N 3.28Å
276P98.4Very high97.7Very high34 Ų3457.2 Ų57.222%0.22129%0.286CS..PPolyproline II helixtrans-64161.717227.8-35.1000112I212 R266 L267 D280 C281I212-P276 HydrophobicContact CG2-CG 4.44Å; R266-P276 VanDerWaalsContact O-CD 3.26Å; R266-P276 WeakPolarHBondContact O-CD 3.45Å; L267-P276 HydrophobicContact CD1-CG 4.29Å; P276-D280 HydrophobicContact CB-CB 3.97Å; P276-C281 WeakPolarHBondContact CG-SG 3.38Å
277S98.6Very high97.6Very high45 Ų4552.3 Ų52.332%0.31527%0.268SS..PPolyproline II helixtrans-73.2161.8167.9750000111.2V279 D280 C281S277-V279 PolarHBondContact O-N 2.87Å; S277-V279 PolarHBondContact OG-N 2.83Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 2.77Å; S277-D280 PolarHBondContact O-N 3.11Å; S277-D280 VanDerWaalsContact O-N 3.11Å; S277-D280 PolarHBondContact OG-N 2.99Å; S277-D280 VanDerWaalsContact OG-N 3.12Å; S277-D280 PolarHBondContact OG-OD2 2.81Å; S277-C281 PolarHBondContact O-N 3.16Å; S277-C281 PolarHBondContact O-SG 3.01Å; S277-C281 VanDerWaalsContact O-SG 3.35Å
278A98.5Very high97.1Very high2 Ų254.7 Ų54.72%0.01729%0.285CS..Hα-helixtrans-56.8-34.2174.500000112.7V140 S141 I212 C281 F282V140-A278 HydrophobicContact CB-CB 4.41Å; V140-A278 HydrophobicContact CG1-CB 3.89Å; S141-A278 VanDerWaalsContact OG-C 3.27Å; S141-A278 WeakPolarHBondContact OG-CB 3.47Å; S141-A278 PolarHBondContact OG-O 3.23Å; I212-A278 HydrophobicContact CD1-CB 3.81Å; A278-C281 WeakPolarHBondContact O-CB 3.44Å; A278-F282 PolarHBondContact O-N 3.38Å
279V98.1Very high96.1Very high77 Ų7757.9 Ų57.947%0.46731%0.307SS..Hα-helixtrans-70.3-42177.71780000110.7S141 S277 C281 F282 N283S141-V279 PolarHBondContact OG-N 2.84Å; S277-V279 PolarHBondContact O-N 2.87Å; S277-V279 PolarHBondContact OG-N 2.83Å; V279-C281 VanDerWaalsContact C-N 3.35Å; V279-F282 PolarHBondContact O-N 3.21Å; V279-N283 PolarHBondContact O-N 2.79Å; V279-N283 PolarHBondContact O-ND2 2.71Å
280D98.1Very high94.3Very high95 Ų9556.1 Ų56.151%0.50831%0.305SS..Hα-helixtrans-66.3-40.4176.1-59.4-42.6000110.9P276 S277 F282 N283 D284P276-D280 HydrophobicContact CB-CB 3.97Å; S277-D280 WeakPolarHBondContact CB-OD2 3.45Å; S277-D280 PolarHBondContact N-OD2 2.77Å; S277-D280 PolarHBondContact O-N 3.11Å; S277-D280 VanDerWaalsContact O-N 3.11Å; S277-D280 PolarHBondContact OG-N 2.99Å; S277-D280 VanDerWaalsContact OG-N 3.12Å; S277-D280 PolarHBondContact OG-OD2 2.81Å; D280-F282 VanDerWaalsContact C-N 3.34Å; D280-F282 PolarHBondContact O-N 3.29Å; D280-N283 PolarHBondContact O-N 3.08Å; D280-D284 PolarHBondContact O-N 2.74Å
281C98.3Very high92.1Very high1 Ų156 Ų561%0.00731%0.313CS..Hα-helixtrans-56.3-48.4171.3-69.40000111.1L137 F263 P276 S277 A278 V279 N283 D284 L287L137-C281 HydrophobicContact CD1-CB 3.77Å; L137-C281 HydrophobicContact CD2-CB 3.61Å; L137-C281 HydrophobicContact CG-CB 4.34Å; F263-C281 HydrophobicContact CE2-CB 4.03Å; F263-C281 HydrophobicContact CZ-CB 4.07Å; P276-C281 WeakPolarHBondContact CG-SG 3.38Å; S277-C281 PolarHBondContact O-N 3.16Å; S277-C281 PolarHBondContact O-SG 3.01Å; S277-C281 VanDerWaalsContact O-SG 3.35Å; A278-C281 WeakPolarHBondContact O-CB 3.44Å; V279-C281 VanDerWaalsContact C-N 3.35Å; C281-N283 PolarHBondContact O-N 2.67Å; C281-D284 WeakPolarHBondContact O-CB 3.36Å; C281-D284 PolarHBondContact O-N 3.13Å; C281-L287 VanDerWaalsContact O-CD1 3.23Å; C281-L287 WeakPolarHBondContact O-CD1 3.46Å
282F97.4Very high89.2Confident42 Ų4257.9 Ų57.918%0.18433%0.33CS..Hα-helixtrans-59.5-31.5-178.2-177.8-93.4000113.1R134 L137 K138 A278 V279 D280 D284R134-F282 HydrophobicContact CB-CE2 4.15Å; R134-F282 WeakPolarHBondContact O-CE2 3.41Å; L137-F282 HydrophobicContact CB-CB 4.24Å; L137-F282 HydrophobicContact CB-CD2 4.14Å; K138-F282 HydrophobicContact CD-CE2 4.19Å; K138-F282 HydrophobicContact CG-CD2 4.16Å; K138-F282 HydrophobicContact CG-CE2 3.68Å; K138-F282 HydrophobicContact CG-CZ 4.31Å; A278-F282 PolarHBondContact O-N 3.38Å; V279-F282 PolarHBondContact O-N 3.21Å; D280-F282 VanDerWaalsContact C-N 3.34Å; D280-F282 PolarHBondContact O-N 3.29Å; F282-D284 VanDerWaalsContact C-N 3.3Å
283N96.8Very high86.2Confident102 Ų10260.6 Ų60.655%0.54535%0.354SS..THydrogen-bonded Turntrans-90.211.6179.3-64.8-50.8000113.5V279 D280 C281V279-N283 PolarHBondContact O-N 2.79Å; V279-N283 PolarHBondContact O-ND2 2.71Å; D280-N283 PolarHBondContact O-N 3.08Å; C281-N283 PolarHBondContact O-N 2.67Å
284D97.6Very high83.3Confident9 Ų958.1 Ų58.15%0.04836%0.356CS..  trans-64.3142.7-178.5-161.3-99.7000112.2F263 R266 D280 C281 F282 W286 L287 S288F263-D284 HydrophobicContact CD2-CB 3.67Å; F263-D284 VanDerWaalsContact CD2-CG 3.45Å; F263-D284 HydrophobicContact CE2-CB 3.71Å; R266-D284 IonicContact CZ-OD2 3.01Å; R266-D284 IonicContact NH1-OD2 2.71Å; R266-D284 PolarHBondContact NH1-OD2 2.94Å; R266-D284 IonicContact NH2-OD1 3.02Å; R266-D284 PolarHBondContact NH2-OD1 3.32Å; R266-D284 IonicContact NH2-OD2 2.63Å; R266-D284 PolarHBondContact NH2-OD2 3.49Å; D280-D284 PolarHBondContact O-N 2.74Å; C281-D284 WeakPolarHBondContact O-CB 3.36Å; C281-D284 PolarHBondContact O-N 3.13Å; F282-D284 VanDerWaalsContact C-N 3.3Å; D284-W286 PolarHBondContact O-N 2.97Å; D284-W286 WeakPolarHBondContact OD1-CB 3.41Å; D284-W286 PolarHBondContact OD1-N 3.33Å; D284-W286 VanDerWaalsContact OD1-N 3.12Å; D284-L287 HydrophobicContact CB-CD1 4.48Å; D284-L287 PolarHBondContact O-N 3.39Å; D284-L287 VanDerWaalsContact O-N 3.13Å; D284-S288 PolarHBondContact O-N 3.36Å; D284-S288 PolarHBondContact O-OG 2.81Å
285P96Very high80Confident98 Ų9858.2 Ų58.264%0.63636%0.361SS*.Hα-helixtrans-55.3-38.2177.4-28.636.2000113.5L287 S288 S289P285-L287 VanDerWaalsContact C-N 3.34Å; P285-L287 PolarHBondContact O-N 3.02Å; P285-S288 PolarHBondContact O-N 2.92Å; P285-S288 VanDerWaalsContact O-N 3.08Å; P285-S289 PolarHBondContact O-N 3.35Å; P285-S289 VanDerWaalsContact O-N 3.08Å
286W96.9Very high76.7Confident8 Ų867.1 Ų67.13%0.0340%0.4CS..Hα-helixtrans-64.9-37.7179.7176.658.8000112.6E126 V129 I130 L133 V219 G259 A260 F263 D284 S288 S289E126-W286 HydrophobicContact CG-CZ2 3.7Å; E126-W286 PolarHBondContact OE1-NE1 3.04Å; V129-W286 HydrophobicContact CG1-CH2 4.28Å; I130-W286 HydrophobicContact CD1-CZ2 4.2Å; I130-W286 WeakPolarHBondContact CD1-O 3.29Å; I130-W286 HydrophobicContact CG1-CD2 4.33Å; I130-W286 HydrophobicContact CG1-CH2 4.12Å; I130-W286 HydrophobicContact CG1-CZ2 3.72Å; L133-W286 HydrophobicContact CD1-CH2 3.72Å; L133-W286 HydrophobicContact CD1-CZ3 3.55Å; V219-W286 HydrophobicContact CG1-CH2 4.11Å; V219-W286 HydrophobicContact CG1-CZ3 4.24Å; G259-W286 VanDerWaalsContact C-CD1 3.45Å; G259-W286 VanDerWaalsContact C-CG 3.43Å; A260-W286 HydrophobicContact CB-CD2 4.15Å; A260-W286 HydrophobicContact CB-CH2 4.13Å; A260-W286 HydrophobicContact CB-CZ2 3.37Å; A260-W286 VanDerWaalsContact N-CD1 3.26Å; F263-W286 HydrophobicContact CB-CB 4.37Å; F263-W286 HydrophobicContact CB-CD2 4.19Å; F263-W286 HydrophobicContact CB-CE3 3.58Å; F263-W286 HydrophobicContact CB-CZ3 4.25Å; F263-W286 AromaticContact CD1-CE3 3.42Å; F263-W286 HydrophobicContact CD1-CE3 3.42Å; F263-W286 VanDerWaalsContact CD1-CE3 3.42Å; F263-W286 AromaticContact CD1-CZ3 3.35Å; F263-W286 HydrophobicContact CD1-CZ3 3.35Å; F263-W286 HydrophobicContact CD2-CE3 4.31Å; F263-W286 HydrophobicContact CE1-CE3 4.15Å; F263-W286 AromaticContact CE1-CZ3 3.88Å; F263-W286 HydrophobicContact CE1-CZ3 3.88Å; F263-W286 AromaticContact CG-CE3 3.51Å; F263-W286 HydrophobicContact CG-CE3 3.51Å; F263-W286 AromaticContact CG-CZ3 3.96Å; F263-W286 HydrophobicContact CG-CZ3 3.96Å; D284-W286 PolarHBondContact O-N 2.97Å; D284-W286 WeakPolarHBondContact OD1-CB 3.41Å; D284-W286 PolarHBondContact OD1-N 3.33Å; D284-W286 VanDerWaalsContact OD1-N 3.12Å; W286-S288 PolarHBondContact O-N 3.27Å; W286-S289 PolarHBondContact O-OG 2.86Å
287L96Very high73.5Confident0 Ų073.1 Ų73.10%043%0.431CS..Hα-helixtrans-76.8-6.2176-69.2173.5000113.3I130 L133 R134 L137 F263 C281 D284 P285I130-L287 HydrophobicContact CB-CD2 4.19Å; I130-L287 HydrophobicContact CG1-CD2 4.13Å; I130-L287 HydrophobicContact CG2-CD2 3.88Å; L133-L287 HydrophobicContact CB-CD2 3.83Å; L133-L287 HydrophobicContact CD1-CD2 4.24Å; R134-L287 HydrophobicContact CG-CB 4.36Å; R134-L287 HydrophobicContact CG-CD2 4.33Å; R134-L287 PolarHBondContact NH1-O 3.36Å; L137-L287 HydrophobicContact CD1-CD1 3.4Å; F263-L287 HydrophobicContact CE1-CD1 4.31Å; F263-L287 HydrophobicContact CE2-CD1 3.84Å; F263-L287 HydrophobicContact CE2-CG 4.47Å; F263-L287 HydrophobicContact CZ-CD1 3.63Å; F263-L287 HydrophobicContact CZ-CG 4.4Å; C281-L287 VanDerWaalsContact O-CD1 3.23Å; C281-L287 WeakPolarHBondContact O-CD1 3.46Å; D284-L287 HydrophobicContact CB-CD1 4.48Å; D284-L287 PolarHBondContact O-N 3.39Å; D284-L287 VanDerWaalsContact O-N 3.13Å; P285-L287 VanDerWaalsContact C-N 3.34Å; P285-L287 PolarHBondContact O-N 3.02Å
288S88.5Confident70.1Confident50 Ų5077.3 Ų77.335%0.3545%0.454SS..Hα-helixtrans-101-25.9178.6-55.50000112.4D284 P285 W286 A290 T291D284-S288 PolarHBondContact O-N 3.36Å; D284-S288 PolarHBondContact O-OG 2.81Å; P285-S288 PolarHBondContact O-N 2.92Å; P285-S288 VanDerWaalsContact O-N 3.08Å; W286-S288 PolarHBondContact O-N 3.27Å; S288-A290 VanDerWaalsContact C-N 3.3Å; S288-A290 PolarHBondContact O-N 3.23Å; S288-T291 PolarHBondContact O-N 3.38Å; S288-T291 PolarHBondContact O-OG1 2.88Å
289S76.2Confident66.9Low72 Ų7284.1 Ų84.150%0.50349%0.49SS..Hα-helixtrans-65-27.2-176.448.70000114.4P285 W286 T291P285-S289 PolarHBondContact O-N 3.35Å; P285-S289 VanDerWaalsContact O-N 3.08Å; W286-S289 PolarHBondContact O-OG 2.86Å; S289-T291 VanDerWaalsContact C-N 3.34Å; S289-T291 PolarHBondContact O-N 3.25Å
290A60.6Low63.8Low32 Ų3287.2 Ų87.226%0.26450%0.504SS..G310 helixtrans-73.3-23.2-179.600000113.8I130 S288 C292I130-A290 HydrophobicContact CB-CB 4.23Å; I130-A290 HydrophobicContact CD1-CB 3.79Å; I130-A290 HydrophobicContact CG2-CB 3.78Å; S288-A290 VanDerWaalsContact C-N 3.3Å; S288-A290 PolarHBondContact O-N 3.23Å; A290-C292 PolarHBondContact O-N 2.88Å; A290-C292 VanDerWaalsContact O-N 3.12Å
291T50.3Low60.4Low99 Ų9987.5 Ų87.561%0.60751%0.514SS*.G310 helixtrans-70.5-7.1-179.251.20000114.2S288 S289S288-T291 PolarHBondContact O-N 3.38Å; S288-T291 PolarHBondContact O-OG1 2.88Å; S289-T291 VanDerWaalsContact C-N 3.34Å; S289-T291 PolarHBondContact O-N 3.25Å
292C35.1Very low57.3Low107 Ų10793.3 Ų93.372%0.72355%0.554SS**G310 helixtrans-1093.4-177.6-730000115.5A290A290-C292 PolarHBondContact O-N 2.88Å; A290-C292 VanDerWaalsContact O-N 3.12Å
293A36.1Very low54.1Low75 Ų75100.7 Ų100.762%0.6259%0.589SS**  trans-96.3-5.2-174.400000116.1T295A293-T295 PolarHBondContact O-N 3.28Å
294D35.2Very low51Low160 Ų160102.1 Ų102.186%0.85661%0.606SS**  trans-97.155.1178.9-74.6-24.8000113.4
295T28.8Very low47.8Very low104 Ų104104.9 Ų104.964%0.63864%0.636SS**SBendtrans-134128152.945.50000107A293A293-T295 PolarHBondContact O-N 3.28Å
296F29.7Very low44.5Very low197 Ų197108.9 Ų108.986%0.86465%0.651SS**SBendtrans92.773.3180-50-72.3000117.4
297N30Very low41.3Very low161 Ų161114.7 Ų114.786%0.86169%0.688SS**  -173.892.6110.7-115-9.6000111.3
298T27.6Very low38.2Very low132 Ų132119.1 Ų119.181%0.8172%0.719SS**  trans-86101.1151.347.40000106.5
299D30.5Very low35.4Very low145 Ų145123.4 Ų123.478%0.77574%0.742SS**  trans-170.4136.7142.9-92.6-22.7000111.8
300N33.1Very low33.3Very low142 Ų142124.1 Ų124.176%0.75975%0.748SS**  trans85.586.5165.1-61.7-21.6000119.8
301S28.2Very low31.7Very low101 Ų101130.8 Ų130.871%0.70677%0.773SS**  28.9108.3118.862.70000117.9
302S33.3Very low30.8Very low123 Ų123133 Ų13386%0.8678%0.781SS**  trans-163.1131.6136-78.40000109.9
303Q29.9Very low30.5Very low197 Ų197137.3 Ų137.392%0.92179%0.788SS**  trans-53.7134.1173-72.1159-4700110.9
304C31.5Very low30.1Very low133 Ų133140.9 Ų140.990%0.89980%0.797SS**  trans-147.5113.2155.3-121.60000112.2
305G29.4Very low29.8Very low66 Ų66142.5 Ų142.568%0.6880%0.796SS**  trans26.1109.5149.400000120.3V307G305-V307 PolarHBondContact O-N 3.37Å; G305-V307 VanDerWaalsContact O-N 3.1Å
306L26.8Very low30Very low182 Ų182145.2 Ų145.295%0.95381%0.806SS**  trans-60.6103.2146.6-75.9162.2000108.5S308L306-S308 PolarHBondContact O-N 2.9Å
307V29.6Very low30.6Very low131 Ų131142.3 Ų142.379%0.79480%0.799SS**  trans-89.198.3162.6-178.40000107G305 V309G305-V307 PolarHBondContact O-N 3.37Å; G305-V307 VanDerWaalsContact O-N 3.1Å; V307-V309 PolarHBondContact O-N 3.2Å
308S30.9Very low30.8Very low93 Ų93146 Ų14665%0.6582%0.819SS**  trans-68.8117.6161.350.90000108.1L306 S310L306-S308 PolarHBondContact O-N 2.9Å; S308-S310 PolarHBondContact O-N 3.04Å
309V29.9Very low30.9Very low139 Ų139146.7 Ų146.784%0.84282%0.82SS**  trans-68.598.4166.6-178.90000107.2V307V307-V309 PolarHBondContact O-N 3.2Å
310S32.8Very low31Very low88 Ų88146.8 Ų146.862%0.61582%0.822SS**  trans-66.3127.1171.5-48.30000109.2S308 D312S308-S310 PolarHBondContact O-N 3.04Å; S310-D312 PolarHBondContact O-N 2.69Å; S310-D312 VanDerWaalsContact O-N 3.11Å
311Q28Very low30.9Very low171 Ų171147.1 Ų147.180%0.79983%0.825SS**  trans-67.5100.3166.6-71179.6-31.200109.3
312D29.5Very low31Very low146 Ų146149.8 Ų149.878%0.78183%0.832SS**  trans-120.270.2162.8-79.2-39000109.4S310S310-D312 PolarHBondContact O-N 2.69Å; S310-D312 VanDerWaalsContact O-N 3.11Å
313F29.3Very low30.9Very low197 Ų197151.4 Ų151.486%0.86483%0.831SS**  trans-10479.7154.6-86.5-82.9000107.6
314N28Very low30.9Very low151 Ų151148.4 Ų148.481%0.80783%0.825SS**  trans-172.1113.3154.8-93.4-35.8000110
315K28.3Very low30.9Very low194 Ų194149.5 Ų149.584%0.84382%0.82SS**  trans127.3103.8151.4-73176.2178-176.50113.5
316L33.9Very low31Very low161 Ų161155.9 Ų155.984%0.84383%0.83SS**  trans-178.1120.6144.1-95.5141.5000104.8
317D41.4Very low31.4Very low135 Ų135153.8 Ų153.872%0.72282%0.82SS**  cis-165167.9-16.6-103.8-21.8000104.7
318D34.8Very low31.5Very low239 Ų239155.8 Ų155.8100%1.27882%0.822SS**  trans-48.30163.6-70.4-54000114.4

Retrieved 318 of 318 residues in 559.4 ms (Link to these results)

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