A0A087YA01_POEFO Loading...

Serine/threonine-protein kinase 3

AlphaFold DB , UniProt , Accession A0A087YA01, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 503 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
1M35.3Very low35.7Very low249 Ų249165 Ų165100%1.22780%0.798SS**  0126.40-70.7166166.400108.7
2K34.3Very low37.2Very low204 Ų204160.6 Ų160.689%0.88778%0.78SS**PPolyproline II helixtrans-85.4134.6161.8-71.6-175.5177.3-178.40107.5
3R31.7Very low39.5Very low222 Ų222158.8 Ų158.884%0.83877%0.766SS**PPolyproline II helixtrans-71.4127.6173.1-82.2-179.5169.8164.8-4.2108.8H5R3-H5 PolarHBondContact O-N 3.38Å
4W35.1Very low42.4Very low251 Ų251149.4 Ų149.495%0.95172%0.721SS**PPolyproline II helixtrans-71.6116.5160-74.278.9000107.5
5H33.5Very low45.4Very low156 Ų156150.7 Ų150.772%0.72272%0.722SS**PPolyproline II helixtrans-83.7130.3161-77.3-100.2000107.2R3 L7R3-H5 PolarHBondContact O-N 3.38Å; H5-L7 PolarHBondContact O-N 3.35Å
6P37Very low48.2Very low124 Ų124148.5 Ų148.581%0.80571%0.709SS**PPolyproline II helixtrans-64.7127.8169.627.6-32000108.5S8P6-S8 PolarHBondContact O-N 3.43Å
7L34.5Very low50.7Low150 Ų150140.8 Ų140.879%0.78567%0.672SS**PPolyproline II helixtrans-62.8130.5166.8-70.7166.1000108H5H5-L7 PolarHBondContact O-N 3.35Å
8S33.5Very low53Low87 Ų87136.3 Ų136.361%0.60866%0.658SS**PPolyproline II helixtrans-70.8132.7175.650.30000110.2P6 D10 S11P6-S8 PolarHBondContact O-N 3.43Å; S8-D10 PolarHBondContact O-N 2.93Å; S8-S11 PolarHBondContact O-N 2.97Å; S8-S11 PolarHBondContact O-OG 3.25Å
9F38.9Very low55Low179 Ų179137.7 Ų137.779%0.78566%0.663SS**G310 helixtrans-54.7-18.6-178.5-90.8-98.9000115.2S11 L12F9-S11 PolarHBondContact O-N 3.31Å; F9-L12 PolarHBondContact O-N 3.47Å
10D40.7Very low56.7Low111 Ų111136.8 Ų136.859%0.59466%0.662SS**G310 helixtrans-65-10.4172.1-97.2-17.3000114.4S8 L12 K13S8-D10 PolarHBondContact O-N 2.93Å; D10-L12 PolarHBondContact O-N 3.19Å; D10-K13 IonicContact OD1-NZ 2.79Å; D10-K13 PolarHBondContact OD1-NZ 2.82Å
11S38.3Very low58.4Low82 Ų82130.6 Ų130.657%0.57363%0.633SS**G310 helixtrans-72.7-5.9175.569.20000114.6S8 F9S8-S11 PolarHBondContact O-N 2.97Å; S8-S11 PolarHBondContact O-OG 3.25Å; F9-S11 PolarHBondContact O-N 3.31Å
12L53.8Low61.1Low112 Ų112122 Ų12259%0.58659%0.592SS**G310 helixtrans-102.7-11.5-175.5-74.9164.4000114.6F9 D10 L14F9-L12 PolarHBondContact O-N 3.47Å; D10-L12 PolarHBondContact O-N 3.19Å; L12-L14 PolarHBondContact O-N 3.4Å
13K66.6Low63.9Low138 Ų138117.7 Ų117.760%0.658%0.582SS**SBendtrans-76.4119.8-179.6-72.3173-174.21520110.6D10 K15D10-K13 IonicContact OD1-NZ 2.79Å; D10-K13 PolarHBondContact OD1-NZ 2.82Å; K13-K15 PolarHBondContact O-N 3.28Å
14L80.7Confident66.8Low26 Ų26111.9 Ų111.914%0.13656%0.563CS.*  trans-54.3136.7173.9-175.561.6000110.7L12 H49 Q54 V56 Y89L12-L14 PolarHBondContact O-N 3.4Å; L14-H49 WeakPolarHBondContact CD1-ND1 3.38Å; L14-H49 HydrophobicContact CD2-CB 4.07Å; L14-Q54 HydrophobicContact CB-CB 4.14Å; L14-Q54 HydrophobicContact CB-CG 3.76Å; L14-Q54 HydrophobicContact CD2-CG 4.34Å; L14-V56 HydrophobicContact CD2-CG1 3.55Å; L14-Y89 HydrophobicContact CB-CE1 4.27Å; L14-Y89 HydrophobicContact CD2-CD2 4.07Å; L14-Y89 HydrophobicContact CD2-CE2 4.08Å; L14-Y89 HydrophobicContact CD2-CG 4.29Å; L14-Y89 HydrophobicContact CG-CD1 4.31Å; L14-Y89 HydrophobicContact CG-CE1 4.22Å; L14-Y89 VanDerWaalsContact O-CE1 3.25Å; L14-Y89 WeakPolarHBondContact O-CE1 3.46Å
15K86.5Confident69.6Low169 Ų169104.8 Ų104.874%0.73554%0.541SS*.  trans-101.3-177.8176.1-64.1178.1-177.5173.30109.1K13 L17 Y89K13-K15 PolarHBondContact O-N 3.28Å; K15-L17 PolarHBondContact O-N 3.36Å; K15-Y89 WeakPolarHBondContact O-CD1 3.42Å
16K90.3Very high72.4Confident116 Ų11697.4 Ų97.450%0.50451%0.507SS..SBendtrans-53.8141.4164.6-70.4176.1177.4173.40109.6Q78 Y89K16-Q78 PolarHBondContact NZ-O 3.18Å; K16-Y89 WeakPolarHBondContact CA-O 3.48Å
17L91.9Very high75Confident18 Ų1894.7 Ų94.79%0.09448%0.483CS..PPolyproline II helixtrans-63.4147-178.1-59.7173000110K15 L22 F30 Y89 Y92K15-L17 PolarHBondContact O-N 3.36Å; L17-L22 HydrophobicContact CB-CD1 4.46Å; L17-L22 HydrophobicContact CB-CD2 3.99Å; L17-L22 HydrophobicContact CB-CG 3.94Å; L17-L22 HydrophobicContact CD1-CD2 3.96Å; L17-F30 HydrophobicContact CD1-CE2 4.32Å; L17-F30 HydrophobicContact CD1-CZ 3.9Å; L17-F30 HydrophobicContact CD2-CZ 4.15Å; L17-Y89 PolarHBondContact N-O 3.2Å; L17-Y92 HydrophobicContact CD1-CE2 3.75Å
18S91.3Very high77.8Confident59 Ų5993.3 Ų93.341%0.41347%0.473SS..PPolyproline II helixtrans-72.5159.7173.955.80000111.2D20 S21 L22S18-D20 VanDerWaalsContact C-N 3.26Å; S18-D20 PolarHBondContact O-N 2.86Å; S18-S21 WeakPolarHBondContact O-CA 2.92Å; S18-S21 WeakPolarHBondContact O-CB 2.82Å; S18-S21 PolarHBondContact O-N 2.91Å; S18-S21 VanDerWaalsContact OG-CB 3.32Å; S18-S21 WeakPolarHBondContact OG-CB 3.41Å; S18-S21 PolarHBondContact OG-N 3.08Å; S18-L22 WeakPolarHBondContact O-CG 3.5Å; S18-L22 PolarHBondContact O-N 3.22Å
19E90.8Very high80.8Confident163 Ų16389.6 Ų89.676%0.76245%0.446SS*.Hα-helixtrans-58.5-39.7173.4-162.5166.8-179.500111.4S21 L22 T23E19-S21 PolarHBondContact O-N 2.97Å; E19-L22 PolarHBondContact O-N 3.33Å; E19-T23 WeakPolarHBondContact O-CG2 3.4Å; E19-T23 PolarHBondContact O-N 2.92Å; E19-T23 VanDerWaalsContact O-N 3.08Å; E19-T23 PolarHBondContact O-OG1 2.78Å
20D89.9Confident83.6Confident120 Ų12081.1 Ų81.164%0.64241%0.409SS*.Hα-helixtrans-63.3-19.2171.5-51-40.2000114.4S18 K24S18-D20 VanDerWaalsContact C-N 3.26Å; S18-D20 PolarHBondContact O-N 2.86Å; D20-K24 VanDerWaalsContact O-CE 3.23Å; D20-K24 WeakPolarHBondContact O-CE 3.48Å
21S91.9Very high86.2Confident6 Ų679.6 Ų79.64%0.04240%0.401CS..Hα-helixtrans-93.6-35.9176.2-172.30000111S18 E19 T23 V29 Y92S18-S21 WeakPolarHBondContact O-CA 2.92Å; S18-S21 WeakPolarHBondContact O-CB 2.82Å; S18-S21 PolarHBondContact O-N 2.91Å; S18-S21 VanDerWaalsContact OG-CB 3.32Å; S18-S21 WeakPolarHBondContact OG-CB 3.41Å; S18-S21 PolarHBondContact OG-N 3.08Å; E19-S21 PolarHBondContact O-N 2.97Å; S21-T23 VanDerWaalsContact C-N 3.3Å; S21-V29 WeakPolarHBondContact OG-CG1 3.45Å; S21-Y92 VanDerWaalsContact C-OH 3.3Å; S21-Y92 WeakPolarHBondContact O-CE1 3.45Å; S21-Y92 PolarHBondContact O-OH 3.31Å; S21-Y92 PolarHBondContact OG-OH 3.22Å
22L92.9Very high88.8Confident70 Ų7078.3 Ų78.337%0.36639%0.39SS..Hα-helixtrans-74.4-17.5178.6-69.2168.7000113.4L17 S18 E19 Y92L17-L22 HydrophobicContact CB-CD1 4.46Å; L17-L22 HydrophobicContact CB-CD2 3.99Å; L17-L22 HydrophobicContact CB-CG 3.94Å; L17-L22 HydrophobicContact CD1-CD2 3.96Å; S18-L22 WeakPolarHBondContact O-CG 3.5Å; S18-L22 PolarHBondContact O-N 3.22Å; E19-L22 PolarHBondContact O-N 3.33Å; L22-Y92 HydrophobicContact CD2-CE2 4.21Å
23T91.8Very high90.6Very high112 Ų11276.7 Ų76.769%0.68738%0.381SS*.THydrogen-bonded Turntrans-87.6-6.1177440000114.4E19 S21E19-T23 WeakPolarHBondContact O-CG2 3.4Å; E19-T23 PolarHBondContact O-N 2.92Å; E19-T23 VanDerWaalsContact O-N 3.08Å; E19-T23 PolarHBondContact O-OG1 2.78Å; S21-T23 VanDerWaalsContact C-N 3.3Å
24K94Very high91.7Very high100 Ų10073 Ų7344%0.43537%0.366SS..SBendtrans-90.4164.2176.1-66.3174.4-174.91680111.9D20 E28 V29 Y92D20-K24 VanDerWaalsContact O-CE 3.23Å; D20-K24 WeakPolarHBondContact O-CE 3.48Å; K24-E28 HydrophobicContact CB-CB 4.36Å; K24-V29 HydrophobicContact CB-CG2 3.77Å; K24-V29 HydrophobicContact CD-CG2 3.97Å; K24-Y92 WeakPolarHBondContact O-CD1 3.32Å; K24-Y92 VanDerWaalsContact O-CE1 3.28Å; K24-Y92 WeakPolarHBondContact O-CE1 3.23Å
25Q92.4Very high92.1Very high103 Ų10376.3 Ų76.348%0.48138%0.379SS..  trans-66.7143.9166.9-65.3-61.2-32.800110.4E27 E28Q25-E27 PolarHBondContact O-N 3.18Å; Q25-E28 HydrophobicContact CB-CG 4.21Å; Q25-E28 WeakPolarHBondContact O-CB 3.41Å; Q25-E28 PolarHBondContact O-N 2.72Å
26P93.6Very high92.2Very high1 Ų170.2 Ų70.21%0.00636%0.355CS..Hα-helixtrans-60.8-31.3-175.321.8-31000112.9E28 V29 F30 Y92 K94 W99P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 PolarHBondContact O-N 3.48Å; P26-V29 PolarHBondContact O-N 3.29Å; P26-V29 VanDerWaalsContact O-N 3.11Å; P26-F30 WeakPolarHBondContact O-CD2 3.41Å; P26-F30 PolarHBondContact O-N 3.39Å; P26-Y92 HydrophobicContact CB-CD1 4.22Å; P26-Y92 HydrophobicContact CB-CD2 4.29Å; P26-Y92 HydrophobicContact CB-CG 3.99Å; P26-Y92 HydrophobicContact CG-CG 4.46Å; P26-K94 HydrophobicContact CG-CB 4.3Å; P26-K94 HydrophobicContact CG-CD 3.81Å; P26-W99 HydrophobicContact CB-CD2 4.44Å; P26-W99 HydrophobicContact CB-CE3 3.68Å; P26-W99 HydrophobicContact CB-CZ3 3.82Å; P26-W99 HydrophobicContact CG-CD2 4.25Å; P26-W99 HydrophobicContact CG-CE3 3.9Å; P26-W99 HydrophobicContact CG-CH2 4.4Å; P26-W99 HydrophobicContact CG-CZ3 3.99Å
27E91.8Very high91.8Very high67 Ų6766.3 Ų66.331%0.31335%0.347SS..Hα-helixtrans-71.2-19.4176.5-64.474.4-159.600114.2Q25 K50 K94 W99Q25-E27 PolarHBondContact O-N 3.18Å; E27-K50 PolarHBondContact O-NZ 3.01Å; E27-K94 IonicContact OE1-NZ 2.75Å; E27-K94 PolarHBondContact OE1-NZ 3.06Å; E27-K94 IonicContact OE2-NZ 2.7Å; E27-K94 PolarHBondContact OE2-NZ 2.92Å; E27-W99 WeakPolarHBondContact OE1-CH2 3.25Å
28E93.1Very high91.3Very high121 Ų12172 Ų7257%0.56537%0.373SS*.Hα-helixtrans-74.3-20.2171.7-63.6171.7-15300111.6K24 Q25 P26K24-E28 HydrophobicContact CB-CB 4.36Å; Q25-E28 HydrophobicContact CB-CG 4.21Å; Q25-E28 WeakPolarHBondContact O-CB 3.41Å; Q25-E28 PolarHBondContact O-N 2.72Å; P26-E28 VanDerWaalsContact C-N 3.29Å; P26-E28 PolarHBondContact O-N 3.48Å
29V96.2Very high90.3Very high8 Ų871.4 Ų71.45%0.04838%0.376CS..Hα-helixtrans-109-30.9-170.7-178.20000111.9S21 K24 P26 H49 K50S21-V29 WeakPolarHBondContact OG-CG1 3.45Å; K24-V29 HydrophobicContact CB-CG2 3.77Å; K24-V29 HydrophobicContact CD-CG2 3.97Å; P26-V29 PolarHBondContact O-N 3.29Å; P26-V29 VanDerWaalsContact O-N 3.11Å; V29-H49 PolarHBondContact O-CD2 3.47Å; V29-K50 WeakPolarHBondContact O-CB 3.39Å; V29-K50 WeakPolarHBondContact O-CG 3.32Å; V29-K50 PolarHBondContact O-N 2.85Å
30F96.7Very high89.1Confident2 Ų269.4 Ų69.41%0.00938%0.38CS..EExtended strand (participates in β ladder)trans-127.7145-177.7-57.5-81.7000112.4L17 P26 A47 I48 H49 K50 V56 I58 Y92 V101L17-F30 HydrophobicContact CD1-CE2 4.32Å; L17-F30 HydrophobicContact CD1-CZ 3.9Å; L17-F30 HydrophobicContact CD2-CZ 4.15Å; P26-F30 WeakPolarHBondContact O-CD2 3.41Å; P26-F30 PolarHBondContact O-N 3.39Å; F30-A47 HydrophobicContact CB-CB 4.27Å; F30-I48 VanDerWaalsContact CA-O 3.27Å; F30-I48 WeakPolarHBondContact CA-O 3.44Å; F30-H49 HydrophobicContact CD1-CB 4.03Å; F30-H49 HydrophobicContact CE1-CB 3.76Å; F30-H49 AromaticContact CE1-CD2 3.57Å; F30-H49 AromaticContact CE1-CG 3.99Å; F30-H49 AromaticContact CZ-CD2 3.88Å; F30-K50 VanDerWaalsContact C-CE 3.49Å; F30-K50 WeakPolarHBondContact O-CE 3.36Å; F30-K50 PolarHBondContact O-NZ 3.2Å; F30-V56 HydrophobicContact CD1-CG2 3.78Å; F30-V56 HydrophobicContact CE1-CG2 3.79Å; F30-I58 HydrophobicContact CB-CD1 4.14Å; F30-I58 HydrophobicContact CD1-CD1 4.36Å; F30-I58 HydrophobicContact CD2-CD1 4.22Å; F30-I58 HydrophobicContact CG-CD1 3.97Å; F30-Y92 AromaticContact CE2-CE2 3.7Å; F30-Y92 HydrophobicContact CE2-CE2 3.7Å; F30-V101 HydrophobicContact CE1-CG1 3.88Å; F30-V101 HydrophobicContact CE2-CG1 4.48Å; F30-V101 HydrophobicContact CE2-CG2 4.09Å; F30-V101 HydrophobicContact CZ-CB 4.49Å; F30-V101 HydrophobicContact CZ-CG1 3.72Å; F30-V101 HydrophobicContact CZ-CG2 4.1Å
31D95.3Very high88.2Confident78 Ų7867.9 Ų67.942%0.41737%0.366SS..EExtended strand (participates in β ladder)trans-95.4115.1156.8-70.6-52.4000108.1A47 I48 K50D31-A47 CarbonylContact O-C 3.5Å; D31-A47 WeakPolarHBondContact O-CA 3.25Å; D31-A47 VanDerWaalsContact O-CB 3.28Å; D31-A47 WeakPolarHBondContact O-CB 3.43Å; D31-I48 PolarHBondContact N-O 2.99Å; D31-I48 PolarHBondContact O-N 2.89Å; D31-K50 WeakPolarHBondContact OD1-CE 3.44Å; D31-K50 IonicContact OD1-NZ 3.84Å; D31-K50 PolarHBondContact OD1-NZ 2.93Å; D31-K50 WeakPolarHBondContact OD2-CE 3.28Å; D31-K50 IonicContact OD2-NZ 2.82Å
32V93.8Very high87.6Confident56 Ų5668.5 Ų68.534%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-79136.5174.2-175.50000108.7F45 W99V32-F45 HydrophobicContact CG1-CB 3.9Å; V32-F45 HydrophobicContact CG1-CD1 4.02Å; V32-F45 HydrophobicContact CG1-CG 4.13Å; V32-W99 HydrophobicContact CG2-CH2 4.23Å; V32-W99 HydrophobicContact CG2-CZ3 3.94Å
33L92.3Very high87.4Confident77 Ų7766.1 Ų66.140%0.40336%0.362SS..EExtended strand (participates in β ladder)trans-117.4-143.9-178.1-53.5179.2000109.4K46 I48L33-K46 HydrophobicContact CB-CB 4.35Å; L33-K46 WeakPolarHBondContact CB-O 3.36Å; L33-K46 HydrophobicContact CD1-CD 4.28Å; L33-K46 HydrophobicContact CD1-CG 4.32Å; L33-K46 PolarHBondContact N-O 3.46Å; L33-I48 HydrophobicContact CD1-CD1 3.94Å; L33-I48 HydrophobicContact CD1-CG1 3.97Å
34E88.1Confident87.4Confident61 Ų6162.7 Ų62.729%0.28534%0.341SS..EExtended strand (participates in β ladder)trans-52141.3176.262-170.4130.100114.9L36 K46 Q305E34-L36 HydrophobicContact CG-CD2 4.31Å; E34-L36 PolarHBondContact O-N 3.01Å; E34-K46 HydrophobicContact CG-CB 3.82Å; E34-K46 HydrophobicContact CG-CD 3.73Å; E34-K46 HydrophobicContact CG-CG 4.5Å; E34-K46 PolarHBondContact O-N 2.82Å; E34-K46 WeakPolarHBondContact OE1-CD 3.27Å; E34-K46 WeakPolarHBondContact OE1-CE 3.2Å; E34-K46 IonicContact OE1-NZ 2.68Å; E34-K46 PolarHBondContact OE1-NZ 3.01Å; E34-Q305 PolarHBondContact OE2-NE2 2.77Å
35K90.1Very high87.4Confident96 Ų9659.7 Ų59.742%0.41733%0.328SS..EExtended strand (participates in β ladder)trans-67.8122162.1-175.6165168.9168.10108.6E38 S43 F45K35-E38 WeakPolarHBondContact CE-OE2 3.35Å; K35-E38 IonicContact NZ-OE2 3.47Å; K35-E38 PolarHBondContact NZ-OE2 3.44Å; K35-S43 WeakPolarHBondContact CE-OG 3.5Å; K35-S43 PolarHBondContact NZ-OG 2.79Å; K35-F45 HydrophobicContact CB-CD1 3.89Å; K35-F45 HydrophobicContact CB-CE1 3.7Å; K35-F45 HydrophobicContact CB-CZ 4.39Å; K35-F45 HydrophobicContact CD-CE1 4.21Å; K35-F45 HydrophobicContact CD-CZ 4.1Å; K35-F45 HydrophobicContact CG-CD1 4.42Å; K35-F45 HydrophobicContact CG-CE1 4.07Å; K35-F45 HydrophobicContact CG-CZ 4.27Å
36L87.4Confident87.6Confident41 Ų4157 Ų5722%0.21532%0.315CS..EExtended strand (participates in β ladder)trans-84.2-28-178.5-68.4170.1000112.6E34 V44 K46 A57 Y104E34-L36 HydrophobicContact CG-CD2 4.31Å; E34-L36 PolarHBondContact O-N 3.01Å; L36-V44 WeakPolarHBondContact CB-O 3.13Å; L36-V44 HydrophobicContact CD1-CG1 4.33Å; L36-V44 PolarHBondContact N-O 2.89Å; L36-K46 HydrophobicContact CD1-CB 3.94Å; L36-K46 HydrophobicContact CD2-CB 4.03Å; L36-K46 HydrophobicContact CG-CB 3.93Å; L36-A57 HydrophobicContact CD1-CB 4.48Å; L36-Y104 HydrophobicContact CD1-CD2 4.1Å; L36-Y104 HydrophobicContact CD1-CE2 3.72Å; L36-Y104 HydrophobicContact CD2-CE2 4.02Å
37G82.9Confident87.7Confident33 Ų3357 Ų5734%0.3431%0.314SS..EExtended strand (participates in β ladder)trans169.1-176.8-179.600000112.2V44G37-V44 PolarHBondContact N-O 3.16Å; G37-V44 PolarHBondContact O-N 2.84Å
38E80.6Confident88Confident139 Ų13956.4 Ų56.465%0.6531%0.313SS*.EExtended strand (participates in β ladder)trans-144.3146.8177.7-171.8176.5149.800109.2K35K35-E38 WeakPolarHBondContact CE-OE2 3.35Å; K35-E38 IonicContact NZ-OE2 3.47Å; K35-E38 PolarHBondContact NZ-OE2 3.44Å
39G70.1Confident88.1Confident45 Ų4551.1 Ų51.146%0.46429%0.288SS..EExtended strand (participates in β ladder)trans-145-175.7177.100000111.8Y41 G42G39-Y41 PolarHBondContact O-N 3.5Å; G39-G42 PolarHBondContact N-O 3.49Å; G39-G42 PolarHBondContact O-N 3.16Å
40S65.4Low88Confident122 Ų12255 Ų5585%0.85330%0.304SS*.THydrogen-bonded Turntrans-60.1-6.7-173.4-49.40000116.1
41Y71.3Confident87.9Confident88 Ų8863 Ų6335%0.34534%0.342SS..THydrogen-bonded Turntrans-12215.8179.9-53.2-85.4000112.5G39 V61 V170 Q173G39-Y41 PolarHBondContact O-N 3.5Å; Y41-V61 WeakPolarHBondContact O-CG1 3.38Å; Y41-V61 WeakPolarHBondContact O-CG2 3.12Å; Y41-V170 HydrophobicContact CE1-CG2 4.07Å; Y41-Q173 PolarHBondContact OH-NE2 3.09Å
42G80.3Confident87.7Confident18 Ų1861.8 Ų61.819%0.18634%0.34CS..EExtended strand (participates in β ladder)trans112.6-165.6177.700000115.1G39 Q60G39-G42 PolarHBondContact N-O 3.49Å; G39-G42 PolarHBondContact O-N 3.16Å; G42-Q60 WeakPolarHBondContact CA-O 3.31Å
43S88.6Confident87.7Confident20 Ų2061.6 Ų61.614%0.1435%0.348CS..EExtended strand (participates in β ladder)trans-98.6146.8-169.4-71.70000112.8K35 F45 K59 Q60K35-S43 WeakPolarHBondContact CE-OG 3.5Å; K35-S43 PolarHBondContact NZ-OG 2.79Å; S43-F45 VanDerWaalsContact CB-CE2 3.45Å; S43-K59 CarbonylContact O-C 3.3Å; S43-K59 WeakPolarHBondContact O-CA 3.46Å; S43-Q60 PolarHBondContact N-O 2.71Å; S43-Q60 PolarHBondContact O-N 3.36Å
44V92.3Very high87.8Confident41 Ų4161 Ų6125%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-116.4128.9175.2-170.90000109.6L36 G37 A57 I58 K59L36-V44 WeakPolarHBondContact CB-O 3.13Å; L36-V44 HydrophobicContact CD1-CG1 4.33Å; L36-V44 PolarHBondContact N-O 2.89Å; G37-V44 PolarHBondContact N-O 3.16Å; G37-V44 PolarHBondContact O-N 2.84Å; V44-A57 HydrophobicContact CG1-CB 4.32Å; V44-I58 WeakPolarHBondContact CA-O 3.28Å; V44-K59 HydrophobicContact CG2-CB 4.2Å; V44-K59 HydrophobicContact CG2-CG 4.12Å
45F94.3Very high88.1Confident37 Ų3760 Ų6016%0.16234%0.342CS..EExtended strand (participates in β ladder)trans-117.8153.4-179.4-64-97.6000111.3V32 K35 S43 A57 I58 Q60V32-F45 HydrophobicContact CG1-CB 3.9Å; V32-F45 HydrophobicContact CG1-CD1 4.02Å; V32-F45 HydrophobicContact CG1-CG 4.13Å; K35-F45 HydrophobicContact CB-CD1 3.89Å; K35-F45 HydrophobicContact CB-CE1 3.7Å; K35-F45 HydrophobicContact CB-CZ 4.39Å; K35-F45 HydrophobicContact CD-CE1 4.21Å; K35-F45 HydrophobicContact CD-CZ 4.1Å; K35-F45 HydrophobicContact CG-CD1 4.42Å; K35-F45 HydrophobicContact CG-CE1 4.07Å; K35-F45 HydrophobicContact CG-CZ 4.27Å; S43-F45 VanDerWaalsContact CB-CE2 3.45Å; F45-A57 CarbonylContact O-C 3.47Å; F45-A57 WeakPolarHBondContact O-CA 3.38Å; F45-I58 PolarHBondContact N-O 2.88Å; F45-I58 PolarHBondContact O-N 2.96Å; F45-Q60 HydrophobicContact CD2-CG 4.24Å; F45-Q60 HydrophobicContact CE2-CG 4.28Å
46K95.3Very high88.5Confident46 Ų4655.5 Ų55.520%0.232%0.322CS..EExtended strand (participates in β ladder)trans-85.6142166.2-171.2-177.9178.5178.50108.4L33 E34 L36 V55 Y104L33-K46 HydrophobicContact CB-CB 4.35Å; L33-K46 WeakPolarHBondContact CB-O 3.36Å; L33-K46 HydrophobicContact CD1-CD 4.28Å; L33-K46 HydrophobicContact CD1-CG 4.32Å; L33-K46 PolarHBondContact N-O 3.46Å; E34-K46 HydrophobicContact CG-CB 3.82Å; E34-K46 HydrophobicContact CG-CD 3.73Å; E34-K46 HydrophobicContact CG-CG 4.5Å; E34-K46 PolarHBondContact O-N 2.82Å; E34-K46 WeakPolarHBondContact OE1-CD 3.27Å; E34-K46 WeakPolarHBondContact OE1-CE 3.2Å; E34-K46 IonicContact OE1-NZ 2.68Å; E34-K46 PolarHBondContact OE1-NZ 3.01Å; L36-K46 HydrophobicContact CD1-CB 3.94Å; L36-K46 HydrophobicContact CD2-CB 4.03Å; L36-K46 HydrophobicContact CG-CB 3.93Å; K46-V55 HydrophobicContact CG-CG1 3.85Å; K46-Y104 HydrophobicContact CB-CE2 4.47Å; K46-Y104 HydrophobicContact CD-CE2 4.27Å; K46-Y104 HydrophobicContact CG-CD2 4.4Å; K46-Y104 HydrophobicContact CG-CE2 3.94Å
47A96.9Very high88.9Confident0 Ų053.9 Ų53.90%032%0.315CS..EExtended strand (participates in β ladder)trans-145.7163.5173.900000111.9F30 D31 V55 V56 I58F30-A47 HydrophobicContact CB-CB 4.27Å; D31-A47 CarbonylContact O-C 3.5Å; D31-A47 WeakPolarHBondContact O-CA 3.25Å; D31-A47 VanDerWaalsContact O-CB 3.28Å; D31-A47 WeakPolarHBondContact O-CB 3.43Å; A47-V55 CarbonylContact O-C 3.59Å; A47-V55 WeakPolarHBondContact O-CA 3.38Å; A47-V56 HydrophobicContact CB-CG2 3.92Å; A47-V56 PolarHBondContact N-O 3.22Å; A47-V56 PolarHBondContact O-N 3.16Å; A47-I58 HydrophobicContact CB-CD1 3.62Å; A47-I58 HydrophobicContact CB-CG1 4Å
48I96.5Very high89.4Confident55 Ų5552.3 Ų52.328%0.28230%0.299SS..EExtended strand (participates in β ladder)trans-112.8128.2173.1-64.6173.7000108.9F30 D31 L33 K50 V55F30-I48 VanDerWaalsContact CA-O 3.27Å; F30-I48 WeakPolarHBondContact CA-O 3.44Å; D31-I48 PolarHBondContact N-O 2.99Å; D31-I48 PolarHBondContact O-N 2.89Å; L33-I48 HydrophobicContact CD1-CD1 3.94Å; L33-I48 HydrophobicContact CD1-CG1 3.97Å; I48-K50 PolarHBondContact O-N 3.11Å; I48-V55 HydrophobicContact CG1-CG2 4.46Å
49H96.4Very high90Very high11 Ų1146.3 Ų46.35%0.05127%0.27CS..EExtended strand (participates in β ladder)trans-77.8107.8173.4179.6-117.5000110.8L14 V29 F30 E51 S52 G53 Q54L14-H49 WeakPolarHBondContact CD1-ND1 3.38Å; L14-H49 HydrophobicContact CD2-CB 4.07Å; V29-H49 PolarHBondContact O-CD2 3.47Å; F30-H49 HydrophobicContact CD1-CB 4.03Å; F30-H49 HydrophobicContact CE1-CB 3.76Å; F30-H49 AromaticContact CE1-CD2 3.57Å; F30-H49 AromaticContact CE1-CG 3.99Å; F30-H49 AromaticContact CZ-CD2 3.88Å; H49-E51 PolarHBondContact O-N 3.48Å; H49-S52 WeakPolarHBondContact CB-OG 3.41Å; H49-S52 PolarHBondContact ND1-OG 3.25Å; H49-S52 PolarHBondContact O-N 3.46Å; H49-S52 PolarHBondContact O-OG 2.65Å; H49-S52 VanDerWaalsContact O-OG 3.08Å; H49-G53 PolarHBondContact O-N 2.91Å; H49-Q54 PolarHBondContact N-O 3.22Å
50K94.3Very high91Very high88 Ų8846 Ų4638%0.38326%0.256SS..THydrogen-bonded Turntrans-51.7-46.3-163.5-76.1175.5166.1166.20114.7E27 V29 F30 D31 I48 S52E27-K50 PolarHBondContact O-NZ 3.01Å; V29-K50 WeakPolarHBondContact O-CB 3.39Å; V29-K50 WeakPolarHBondContact O-CG 3.32Å; V29-K50 PolarHBondContact O-N 2.85Å; F30-K50 VanDerWaalsContact C-CE 3.49Å; F30-K50 WeakPolarHBondContact O-CE 3.36Å; F30-K50 PolarHBondContact O-NZ 3.2Å; D31-K50 WeakPolarHBondContact OD1-CE 3.44Å; D31-K50 IonicContact OD1-NZ 3.84Å; D31-K50 PolarHBondContact OD1-NZ 2.93Å; D31-K50 WeakPolarHBondContact OD2-CE 3.28Å; D31-K50 IonicContact OD2-NZ 2.82Å; I48-K50 PolarHBondContact O-N 3.11Å; K50-S52 VanDerWaalsContact C-N 3.25Å; K50-S52 PolarHBondContact O-N 3.39Å
51E92.9Very high92Very high172 Ų17240.2 Ų40.280%0.80422%0.216SC*.THydrogen-bonded Turntrans-65.9-27.8-177.9-171-177.5174.500113.1H49H49-E51 PolarHBondContact O-N 3.48Å
52S92.6Very high92.6Very high52 Ų5239 Ų3936%0.36422%0.219SC..THydrogen-bonded Turntrans-114.6-18.1-16866.30000115.4H49 K50 Q54H49-S52 WeakPolarHBondContact CB-OG 3.41Å; H49-S52 PolarHBondContact ND1-OG 3.25Å; H49-S52 PolarHBondContact O-N 3.46Å; H49-S52 PolarHBondContact O-OG 2.65Å; H49-S52 VanDerWaalsContact O-OG 3.08Å; K50-S52 VanDerWaalsContact C-N 3.25Å; K50-S52 PolarHBondContact O-N 3.39Å; S52-Q54 PolarHBondContact O-N 2.85Å; S52-Q54 WeakPolarHBondContact OG-CB 3.4Å; S52-Q54 PolarHBondContact OG-N 3.08Å
53G92.9Very high92.6Very high51 Ų5139.7 Ų39.753%0.52622%0.22SC..THydrogen-bonded Turntrans681.1-16800000115.1H49 V55H49-G53 PolarHBondContact O-N 2.91Å; G53-V55 PolarHBondContact O-N 2.94Å
54Q94.1Very high91.8Very high66 Ų6647.6 Ų47.631%0.30825%0.254SS..EExtended strand (participates in β ladder)trans-69.1129.7179.8178.559.860.800111.1L14 H49 S52L14-Q54 HydrophobicContact CB-CB 4.14Å; L14-Q54 HydrophobicContact CB-CG 3.76Å; L14-Q54 HydrophobicContact CD2-CG 4.34Å; H49-Q54 PolarHBondContact N-O 3.22Å; S52-Q54 PolarHBondContact O-N 2.85Å; S52-Q54 WeakPolarHBondContact OG-CB 3.4Å; S52-Q54 PolarHBondContact OG-N 3.08Å
55V95.7Very high90.4Very high40 Ų4048.1 Ų48.124%0.24226%0.26CS..EExtended strand (participates in β ladder)trans-74.1132.8171.7-171.60000109.9K46 A47 I48 G53 Y104K46-V55 HydrophobicContact CG-CG1 3.85Å; A47-V55 CarbonylContact O-C 3.59Å; A47-V55 WeakPolarHBondContact O-CA 3.38Å; I48-V55 HydrophobicContact CG1-CG2 4.46Å; G53-V55 PolarHBondContact O-N 2.94Å; V55-Y104 HydrophobicContact CB-CD1 4.16Å; V55-Y104 HydrophobicContact CB-CG 4.49Å; V55-Y104 HydrophobicContact CG1-CD1 3.57Å; V55-Y104 HydrophobicContact CG1-CD2 4.22Å; V55-Y104 HydrophobicContact CG1-CE1 3.95Å; V55-Y104 HydrophobicContact CG1-CG 3.7Å
56V96.8Very high89.3Confident0 Ų050.2 Ų50.20%027%0.273CS..EExtended strand (participates in β ladder)trans-128.6166.8177.4-59.50000110.3L14 F30 A47 I58 Y89 V101L14-V56 HydrophobicContact CD2-CG1 3.55Å; F30-V56 HydrophobicContact CD1-CG2 3.78Å; F30-V56 HydrophobicContact CE1-CG2 3.79Å; A47-V56 HydrophobicContact CB-CG2 3.92Å; A47-V56 PolarHBondContact N-O 3.22Å; A47-V56 PolarHBondContact O-N 3.16Å; V56-I58 HydrophobicContact CG2-CG1 4.35Å; V56-Y89 HydrophobicContact CG1-CD2 4.13Å; V56-Y89 HydrophobicContact CG1-CE2 3.99Å; V56-V101 HydrophobicContact CB-CG1 4.19Å; V56-V101 HydrophobicContact CG1-CG1 4.49Å; V56-V101 HydrophobicContact CG2-CG1 4.04Å
57A96Very high88.3Confident7 Ų750.9 Ų50.96%0.05828%0.278CS..EExtended strand (participates in β ladder)trans-106.9145.1164.600000109.9L36 V44 F45 M102 Y104L36-A57 HydrophobicContact CD1-CB 4.48Å; V44-A57 HydrophobicContact CG1-CB 4.32Å; F45-A57 CarbonylContact O-C 3.47Å; F45-A57 WeakPolarHBondContact O-CA 3.38Å; A57-M102 HydrophobicContact CB-CG 3.8Å; A57-M102 PolarHBondContact N-O 3.25Å; A57-M102 PolarHBondContact O-N 3.03Å; A57-Y104 HydrophobicContact CB-CD2 4.44Å
58I95.2Very high87.3Confident1 Ų159 Ų591%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-124.4116175-57.4-176.7000107.9F30 V44 F45 A47 V56 Q60 W99 I100 V101F30-I58 HydrophobicContact CB-CD1 4.14Å; F30-I58 HydrophobicContact CD1-CD1 4.36Å; F30-I58 HydrophobicContact CD2-CD1 4.22Å; F30-I58 HydrophobicContact CG-CD1 3.97Å; V44-I58 WeakPolarHBondContact CA-O 3.28Å; F45-I58 PolarHBondContact N-O 2.88Å; F45-I58 PolarHBondContact O-N 2.96Å; A47-I58 HydrophobicContact CB-CD1 3.62Å; A47-I58 HydrophobicContact CB-CG1 4Å; V56-I58 HydrophobicContact CG2-CG1 4.35Å; I58-Q60 HydrophobicContact CG2-CG 4.4Å; I58-W99 HydrophobicContact CD1-CE3 4.32Å; I58-W99 HydrophobicContact CD1-CZ3 4.48Å; I58-W99 HydrophobicContact CG2-CB 4.05Å; I58-W99 HydrophobicContact CG2-CD2 4.17Å; I58-W99 HydrophobicContact CG2-CE3 3.75Å; I58-W99 HydrophobicContact CG2-CG 4.34Å; I58-I100 WeakPolarHBondContact CA-O 3.45Å; I58-V101 HydrophobicContact CG1-CG1 4.45Å; I58-V101 HydrophobicContact CG1-CG2 4.34Å
59K91.9Very high86.2Confident13 Ų1357.8 Ų57.86%0.05731%0.31CS..EExtended strand (participates in β ladder)trans-95.3114.9173.7177.7-179.6176.8-173.50107.8S43 V44 V61 E73 I100 M102 D167S43-K59 CarbonylContact O-C 3.3Å; S43-K59 WeakPolarHBondContact O-CA 3.46Å; V44-K59 HydrophobicContact CG2-CB 4.2Å; V44-K59 HydrophobicContact CG2-CG 4.12Å; K59-V61 HydrophobicContact CD-CG2 4.42Å; K59-V61 HydrophobicContact CG-CG2 3.91Å; K59-E73 IonicContact NZ-OE2 3.63Å; K59-I100 HydrophobicContact CB-CB 4.36Å; K59-I100 PolarHBondContact N-O 3.19Å; K59-I100 PolarHBondContact O-N 2.94Å; K59-M102 HydrophobicContact CB-CE 3.44Å; K59-M102 VanDerWaalsContact CB-CE 3.44Å; K59-M102 HydrophobicContact CD-CE 4.07Å; K59-M102 HydrophobicContact CG-CE 4.42Å; K59-D167 IonicContact NZ-OD1 3.62Å; K59-D167 PolarHBondContact NZ-OD1 3.45Å
60Q90.9Very high85.3Confident37 Ų3757.8 Ų57.817%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-93.3123176.9-67175.4-12.200108.7G42 S43 F45 I58 W99G42-Q60 WeakPolarHBondContact CA-O 3.31Å; S43-Q60 PolarHBondContact N-O 2.71Å; S43-Q60 PolarHBondContact O-N 3.36Å; F45-Q60 HydrophobicContact CD2-CG 4.24Å; F45-Q60 HydrophobicContact CE2-CG 4.28Å; I58-Q60 HydrophobicContact CG2-CG 4.4Å; Q60-W99 HydrophobicContact CG-CD2 4.06Å; Q60-W99 HydrophobicContact CG-CG 4.08Å; Q60-W99 VanDerWaalsContact NE2-CE2 3.32Å
61V87.3Confident84.5Confident2 Ų258.2 Ų58.21%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-125.6117.9-174.1-174.80000109.6Y41 K59 V63 I70 L98 I100Y41-V61 WeakPolarHBondContact O-CG1 3.38Å; Y41-V61 WeakPolarHBondContact O-CG2 3.12Å; K59-V61 HydrophobicContact CD-CG2 4.42Å; K59-V61 HydrophobicContact CG-CG2 3.91Å; V61-V63 PolarHBondContact O-N 3.14Å; V61-I70 HydrophobicContact CG1-CD1 3.39Å; V61-I70 HydrophobicContact CG1-CG1 4.17Å; V61-L98 PolarHBondContact N-O 2.93Å; V61-L98 PolarHBondContact O-N 3.43Å; V61-I100 HydrophobicContact CG2-CD1 4.01Å
62P84.6Confident83.7Confident63 Ų6354.5 Ų54.541%0.40930%0.296SS..EExtended strand (participates in β ladder)trans-60.7128.8177.6-26.535.9000112.4E64 S65 D97P62-E64 PolarHBondContact O-N 2.97Å; P62-S65 WeakPolarHBondContact O-CB 3.33Å; P62-S65 PolarHBondContact O-N 2.77Å; P62-S65 VanDerWaalsContact O-N 3.17Å; P62-S65 PolarHBondContact O-OG 3.46Å; P62-D97 WeakPolarHBondContact CA-OD1 3.36Å
63V78.6Confident82.9Confident32 Ų3252.8 Ų52.819%0.19428%0.282CS..THydrogen-bonded Turntrans-70.6-17.4-173.7172.50000112.8V61 S65 L67 F93 T96 L98V61-V63 PolarHBondContact O-N 3.14Å; V63-S65 PolarHBondContact O-N 3.25Å; V63-L67 HydrophobicContact CG1-CD1 4.38Å; V63-L67 HydrophobicContact CG1-CD2 4.13Å; V63-F93 HydrophobicContact CB-CE2 4.31Å; V63-F93 HydrophobicContact CG1-CE2 3.93Å; V63-F93 HydrophobicContact CG1-CZ 4.32Å; V63-F93 HydrophobicContact CG2-CD2 4.24Å; V63-F93 HydrophobicContact CG2-CE2 3.57Å; V63-F93 HydrophobicContact CG2-CZ 4.1Å; V63-T96 WeakPolarHBondContact CB-O 3.5Å; V63-T96 WeakPolarHBondContact CG2-O 3.4Å; V63-T96 PolarHBondContact N-O 3.49Å; V63-L98 HydrophobicContact CG2-CB 4.14Å
64E71.6Confident82.5Confident185 Ų18551.1 Ų51.186%0.86426%0.261SS*.THydrogen-bonded Turntrans-68.5-11.4172.5-58-169.8166.900113.7P62P62-E64 PolarHBondContact O-N 2.97Å
65S64.8Low81.9Confident52 Ų5249.9 Ų49.936%0.36426%0.26SS..SBendtrans-75.1-178.2168.567.20000111.8P62 V63 L67 I70P62-S65 WeakPolarHBondContact O-CB 3.33Å; P62-S65 PolarHBondContact O-N 2.77Å; P62-S65 VanDerWaalsContact O-N 3.17Å; P62-S65 PolarHBondContact O-OG 3.46Å; V63-S65 PolarHBondContact O-N 3.25Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.43Å; S65-I70 VanDerWaalsContact OG-CD1 3.26Å; S65-I70 WeakPolarHBondContact OG-CD1 3.46Å
66D69.9Low81.1Confident82 Ų8249.6 Ų49.644%0.43926%0.257SS..  trans-69.675.2-176.1-66-68.6000112.3Q68 E69 I70 K180D66-Q68 PolarHBondContact O-N 3.21Å; D66-E69 HydrophobicContact CB-CB 4.29Å; D66-E69 HydrophobicContact CB-CG 4.09Å; D66-E69 WeakPolarHBondContact O-CA 3.42Å; D66-E69 VanDerWaalsContact O-CB 3.31Å; D66-E69 WeakPolarHBondContact O-CB 3.32Å; D66-E69 PolarHBondContact O-N 3.29Å; D66-I70 PolarHBondContact O-N 2.72Å; D66-K180 IonicContact OD1-NZ 2.77Å; D66-K180 PolarHBondContact OD1-NZ 3.47Å; D66-K180 IonicContact OD2-NZ 3.21Å; D66-K180 PolarHBondContact OD2-NZ 3.23Å
67L74.1Confident80.5Confident60 Ų6050 Ų5031%0.31426%0.259SS..Hα-helixtrans-51-35-172-178.864.8000114.4V63 S65 E69 I70 I71 L98V63-L67 HydrophobicContact CG1-CD1 4.38Å; V63-L67 HydrophobicContact CG1-CD2 4.13Å; S65-L67 VanDerWaalsContact C-N 3.27Å; S65-L67 PolarHBondContact O-N 3.43Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 2.67Å; L67-I70 PolarHBondContact O-N 2.84Å; L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CD1-CG1 4.31Å; L67-I71 HydrophobicContact CD2-CD1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.85Å; L67-I71 HydrophobicContact CG-CG1 4.36Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 2.86Å; L67-L98 HydrophobicContact CD1-CD2 4.02Å
68Q76.2Confident80.1Confident170 Ų17054.2 Ų54.279%0.79428%0.277SS*.Hα-helixtrans-62.8-35.1176.4-64.8-170.91.500112.5D66 K72D66-Q68 PolarHBondContact O-N 3.21Å; Q68-K72 WeakPolarHBondContact O-CB 3.23Å; Q68-K72 PolarHBondContact O-N 3.18Å; Q68-K72 VanDerWaalsContact O-N 3.1Å
69E72.7Confident79.7Confident30 Ų3059.7 Ų59.714%0.1430%0.303CS..Hα-helixtrans-68.3-39175.5-69.2-153.9120.400111.5D66 L67 K72 E73 V170 G172 Q173D66-E69 HydrophobicContact CB-CB 4.29Å; D66-E69 HydrophobicContact CB-CG 4.09Å; D66-E69 WeakPolarHBondContact O-CA 3.42Å; D66-E69 VanDerWaalsContact O-CB 3.31Å; D66-E69 WeakPolarHBondContact O-CB 3.32Å; D66-E69 PolarHBondContact O-N 3.29Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 2.67Å; E69-K72 WeakPolarHBondContact O-CB 3.42Å; E69-K72 PolarHBondContact O-N 2.88Å; E69-E73 PolarHBondContact O-N 2.88Å; E69-V170 HydrophobicContact CB-CG1 3.53Å; E69-V170 HydrophobicContact CG-CG1 3.82Å; E69-V170 VanDerWaalsContact OE1-CG1 3.22Å; E69-V170 WeakPolarHBondContact OE1-CG1 3.23Å; E69-V170 WeakPolarHBondContact OE2-CG1 3.27Å; E69-G172 WeakPolarHBondContact OE1-CA 3.41Å; E69-Q173 PolarHBondContact OE1-N 3.43Å
70I77.5Confident79.6Confident11 Ų1159.5 Ų59.56%0.05630%0.303CS..Hα-helixtrans-71.8-41.9179.6-58.1154.6000111.2V61 S65 D66 L67 K72 E73 I74 L98 I100V61-I70 HydrophobicContact CG1-CD1 3.39Å; V61-I70 HydrophobicContact CG1-CG1 4.17Å; S65-I70 VanDerWaalsContact OG-CD1 3.26Å; S65-I70 WeakPolarHBondContact OG-CD1 3.46Å; D66-I70 PolarHBondContact O-N 2.72Å; L67-I70 PolarHBondContact O-N 2.84Å; I70-K72 PolarHBondContact O-N 3.44Å; I70-E73 WeakPolarHBondContact O-CB 3.3Å; I70-E73 PolarHBondContact O-N 3.36Å; I70-E73 VanDerWaalsContact O-N 3.17Å; I70-I74 HydrophobicContact CG2-CD1 4.08Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 3.35Å; I70-L98 HydrophobicContact CG2-CD2 3.73Å; I70-I100 HydrophobicContact CG2-CD1 3.92Å
71I79.4Confident79.6Confident96 Ų9663.1 Ų63.149%0.49232%0.324SS..Hα-helixtrans-59.8-38172.6-69.3170.2000110.5L67 I74 S75L67-I71 HydrophobicContact CD1-CD1 4.23Å; L67-I71 HydrophobicContact CD1-CG1 4.31Å; L67-I71 HydrophobicContact CD2-CD1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.85Å; L67-I71 HydrophobicContact CG-CG1 4.36Å; L67-I71 WeakPolarHBondContact O-CG1 3.36Å; L67-I71 PolarHBondContact O-N 2.86Å; I71-I74 PolarHBondContact O-N 3.47Å; I71-S75 WeakPolarHBondContact O-CB 3.34Å; I71-S75 PolarHBondContact O-N 2.88Å
72K75.6Confident80Confident94 Ų9463.4 Ų63.441%0.40933%0.326SS..Hα-helixtrans-63.7-45.2174.5-165.8-179.7-167.7177.20111.3Q68 E69 I70 S75 I76 A171Q68-K72 WeakPolarHBondContact O-CB 3.23Å; Q68-K72 PolarHBondContact O-N 3.18Å; Q68-K72 VanDerWaalsContact O-N 3.1Å; E69-K72 WeakPolarHBondContact O-CB 3.42Å; E69-K72 PolarHBondContact O-N 2.88Å; I70-K72 PolarHBondContact O-N 3.44Å; K72-S75 PolarHBondContact O-N 3.48Å; K72-S75 PolarHBondContact O-OG 3.28Å; K72-I76 WeakPolarHBondContact O-CG1 3.45Å; K72-I76 PolarHBondContact O-N 3.02Å; K72-I76 VanDerWaalsContact O-N 3.14Å; K72-A171 HydrophobicContact CD-CB 4.04Å; K72-A171 PolarHBondContact NZ-O 3.44Å
73E76.3Confident80.6Confident16 Ų1664.3 Ų64.38%0.07533%0.332CS..Hα-helixtrans-57.4-52.8173.8-163.4-169.9178.400111.6K59 E69 I70 S75 I76 M77 D167 F168K59-E73 IonicContact NZ-OE2 3.63Å; E69-E73 PolarHBondContact O-N 2.88Å; I70-E73 WeakPolarHBondContact O-CB 3.3Å; I70-E73 PolarHBondContact O-N 3.36Å; I70-E73 VanDerWaalsContact O-N 3.17Å; E73-S75 VanDerWaalsContact C-N 3.29Å; E73-S75 PolarHBondContact O-N 3.26Å; E73-I76 WeakPolarHBondContact O-CB 3.43Å; E73-I76 PolarHBondContact O-N 3.37Å; E73-M77 HydrophobicContact CG-SD 4.49Å; E73-M77 PolarHBondContact O-N 2.79Å; E73-D167 WeakPolarHBondContact OE1-CA 3.24Å; E73-F168 HydrophobicContact CG-CB 3.87Å; E73-F168 PolarHBondContact OE1-N 3.29Å
74I82.9Confident81.5Confident16 Ų1665.8 Ų65.88%0.08233%0.334CS..Hα-helixtrans-56.8-42.5178.7-69.4169.1000110.9I70 I71 I76 M77 Q78 Y88 L98 I100I70-I74 HydrophobicContact CG2-CD1 4.08Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 3.35Å; I71-I74 PolarHBondContact O-N 3.47Å; I74-I76 VanDerWaalsContact C-N 3.3Å; I74-I76 PolarHBondContact O-N 2.93Å; I74-M77 PolarHBondContact O-N 3.01Å; I74-Q78 VanDerWaalsContact O-CB 3.24Å; I74-Q78 WeakPolarHBondContact O-CB 3.28Å; I74-Q78 PolarHBondContact O-N 3.38Å; I74-Y88 HydrophobicContact CG1-CE2 4.47Å; I74-Y88 HydrophobicContact CG2-CD2 4.5Å; I74-Y88 HydrophobicContact CG2-CE1 4.17Å; I74-Y88 HydrophobicContact CG2-CE2 3.76Å; I74-L98 HydrophobicContact CD1-CD2 3.81Å; I74-L98 HydrophobicContact CD1-CG 4.35Å; I74-I100 HydrophobicContact CD1-CD1 3.9Å; I74-I100 HydrophobicContact CD1-CG1 3.99Å; I74-I100 HydrophobicContact CG1-CD1 4.06Å; I74-I100 HydrophobicContact CG1-CG1 4.42Å
75S81.9Confident82.6Confident41 Ų4157.1 Ų57.129%0.28729%0.294SS..Hα-helixtrans-62.6-36.7177.880.40000112.6I71 K72 E73 Q79I71-S75 WeakPolarHBondContact O-CB 3.34Å; I71-S75 PolarHBondContact O-N 2.88Å; K72-S75 PolarHBondContact O-N 3.48Å; K72-S75 PolarHBondContact O-OG 3.28Å; E73-S75 VanDerWaalsContact C-N 3.29Å; E73-S75 PolarHBondContact O-N 3.26Å; S75-Q79 WeakPolarHBondContact O-CB 3.45Å; S75-Q79 VanDerWaalsContact O-CD 3.32Å; S75-Q79 WeakPolarHBondContact O-CG 3.39Å; S75-Q79 PolarHBondContact O-N 3.13Å; S75-Q79 PolarHBondContact O-NE2 2.88Å
76I80.2Confident84Confident34 Ų3454.7 Ų54.717%0.17428%0.277CS..Hα-helixtrans-68.5-45.4177.3-69.2166.2000110.1K72 E73 I74 Q79 C80 K145 F168 A171K72-I76 WeakPolarHBondContact O-CG1 3.45Å; K72-I76 PolarHBondContact O-N 3.02Å; K72-I76 VanDerWaalsContact O-N 3.14Å; E73-I76 WeakPolarHBondContact O-CB 3.43Å; E73-I76 PolarHBondContact O-N 3.37Å; I74-I76 VanDerWaalsContact C-N 3.3Å; I74-I76 PolarHBondContact O-N 2.93Å; I76-Q79 PolarHBondContact O-N 3.15Å; I76-C80 PolarHBondContact O-SG 2.68Å; I76-K145 HydrophobicContact CG2-CD 4.07Å; I76-K145 PolarHBondContact O-NZ 3.48Å; I76-F168 HydrophobicContact CG2-CB 4.44Å; I76-F168 HydrophobicContact CG2-CD1 3.67Å; I76-F168 HydrophobicContact CG2-CE1 4.01Å; I76-F168 HydrophobicContact CG2-CG 3.97Å; I76-A171 HydrophobicContact CD1-CB 4.39Å
77M83.4Confident85.2Confident8 Ų854.1 Ų54.14%0.03927%0.271CS..Hα-helixtrans-65.6-45.1177.4-66-177.479.700112.5E73 I74 Q79 C80 V86 Y88 F168E73-M77 HydrophobicContact CG-SD 4.49Å; E73-M77 PolarHBondContact O-N 2.79Å; I74-M77 PolarHBondContact O-N 3.01Å; M77-Q79 PolarHBondContact O-N 3.4Å; M77-C80 WeakPolarHBondContact O-CB 3.45Å; M77-C80 PolarHBondContact O-N 3.02Å; M77-V86 HydrophobicContact CE-CG1 4.49Å; M77-Y88 HydrophobicContact CB-CG 4.42Å; M77-F168 HydrophobicContact CG-CD2 3.56Å; M77-F168 HydrophobicContact CG-CE2 3.94Å; M77-F168 HydrophobicContact SD-CD2 4.49Å
78Q86.6Confident86.1Confident95 Ų9552.1 Ų52.144%0.44426%0.259SS..Hα-helixtrans-61.5-31.6179.9-169.8-168.749.300111.7K16 I74 C80 Y88K16-Q78 PolarHBondContact NZ-O 3.18Å; I74-Q78 VanDerWaalsContact O-CB 3.24Å; I74-Q78 WeakPolarHBondContact O-CB 3.28Å; I74-Q78 PolarHBondContact O-N 3.38Å; Q78-C80 VanDerWaalsContact C-N 3.29Å; Q78-Y88 HydrophobicContact CB-CD1 3.79Å; Q78-Y88 HydrophobicContact CB-CE1 3.94Å; Q78-Y88 HydrophobicContact CG-CD1 4.01Å; Q78-Y88 HydrophobicContact CG-CE1 3.9Å
79Q87.2Confident87Confident116 Ų11644.8 Ų44.854%0.54222%0.224SC..THydrogen-bonded Turntrans-85.410.5173.7-67.2169.724.200113.7S75 I76 M77 K145S75-Q79 WeakPolarHBondContact O-CB 3.45Å; S75-Q79 VanDerWaalsContact O-CD 3.32Å; S75-Q79 WeakPolarHBondContact O-CG 3.39Å; S75-Q79 PolarHBondContact O-N 3.13Å; S75-Q79 PolarHBondContact O-NE2 2.88Å; I76-Q79 PolarHBondContact O-N 3.15Å; M77-Q79 PolarHBondContact O-N 3.4Å; Q79-K145 VanDerWaalsContact C-NZ 3.32Å; Q79-K145 PolarHBondContact O-NZ 3.41Å
80C89.1Confident88Confident10 Ų1043.4 Ų43.47%0.06822%0.218CC..  trans-107.6129.2173.1-680000110.9I76 M77 Q78 V85 Y139 K145I76-C80 PolarHBondContact O-SG 2.68Å; M77-C80 WeakPolarHBondContact O-CB 3.45Å; M77-C80 PolarHBondContact O-N 3.02Å; Q78-C80 VanDerWaalsContact C-N 3.29Å; C80-V85 HydrophobicContact CB-CG1 4.11Å; C80-Y139 HydrophobicContact CB-CE1 4.17Å; C80-K145 PolarHBondContact SG-NZ 3.26Å
81D92.3Very high88.7Confident112 Ų11244.6 Ų44.660%0.59923%0.228SC*.  trans-135.196.6162.8-168.923.1000108.9K87 Y139D81-K87 IonicContact OD1-NZ 2.71Å; D81-K87 PolarHBondContact OD1-NZ 2.73Å; D81-Y139 PolarHBondContact N-OH 2.84Å; D81-Y139 VanDerWaalsContact N-OH 3.09Å
82S95.1Very high89.4Confident8 Ų840.5 Ų40.56%0.05621%0.206CC..  trans-149.1140.3-179.11730000108.1Y84 V85S82-Y84 PolarHBondContact O-N 2.91Å; S82-Y84 PolarHBondContact OG-N 3.31Å; S82-V85 PolarHBondContact O-N 3.06Å
83P96.5Very high90.2Very high82 Ų8242.2 Ų42.253%0.53221%0.214SC..THydrogen-bonded Turntrans-65.6-19.5177.327.3-33.9000112.7K164P83-K164 WeakPolarHBondContact O-CG 3.42Å; P83-K164 PolarHBondContact O-NZ 3.08Å
84Y97.6Very high90.7Very high63 Ų6343.3 Ų43.325%0.24722%0.218CC..THydrogen-bonded Turntrans-93.29.6-178.6-48.5-71.1000113.7S82 K135 K164 L165S82-Y84 PolarHBondContact O-N 2.91Å; S82-Y84 PolarHBondContact OG-N 3.31Å; Y84-K135 HydrophobicContact CD1-CB 4.19Å; Y84-K135 HydrophobicContact CD1-CD 4.41Å; Y84-K135 HydrophobicContact CD2-CB 3.53Å; Y84-K135 HydrophobicContact CD2-CD 4.35Å; Y84-K135 HydrophobicContact CE1-CB 4.26Å; Y84-K135 HydrophobicContact CE1-CD 3.71Å; Y84-K135 HydrophobicContact CE2-CB 3.62Å; Y84-K135 HydrophobicContact CE2-CD 3.65Å; Y84-K135 HydrophobicContact CE2-CG 4.29Å; Y84-K135 HydrophobicContact CG-CB 3.84Å; Y84-K135 VanDerWaalsContact OH-CD 3.29Å; Y84-K135 WeakPolarHBondContact OH-CD 3.32Å; Y84-K135 PolarHBondContact OH-NZ 3.09Å; Y84-K164 WeakPolarHBondContact O-CA 3.39Å; Y84-L165 PolarHBondContact O-N 3.01Å
85V95.9Very high90.8Very high3 Ų347.8 Ų47.82%0.01824%0.242CC..BIsolated β-bridgetrans-126.1144.1174.3179.40000107.6C80 S82 K87 Y139 F168C80-V85 HydrophobicContact CB-CG1 4.11Å; S82-V85 PolarHBondContact O-N 3.06Å; V85-K87 PolarHBondContact O-N 2.76Å; V85-Y139 HydrophobicContact CG2-CD1 4.28Å; V85-F168 HydrophobicContact CG1-CE2 3.7Å; V85-F168 HydrophobicContact CG1-CZ 3.66Å
86V94.8Very high91.1Very high2 Ų249.9 Ų49.91%0.01225%0.253CS..PPolyproline II helixtrans-64.5123172.5170.80000109.4M77 M102 E103 L156 K164 L165 A166M77-V86 HydrophobicContact CE-CG1 4.49Å; V86-M102 HydrophobicContact CG1-CB 3.97Å; V86-M102 HydrophobicContact CG1-CG 4.17Å; V86-M102 HydrophobicContact CG1-SD 4.23Å; V86-E103 HydrophobicContact CG1-CB 4.14Å; V86-L156 HydrophobicContact CG2-CD1 4.12Å; V86-K164 HydrophobicContact CG2-CB 3.86Å; V86-K164 HydrophobicContact CG2-CD 4.43Å; V86-L165 PolarHBondContact N-O 3.28Å; V86-A166 HydrophobicContact CB-CB 4.37Å; V86-A166 HydrophobicContact CG2-CB 3.71Å
87K93.6Very high91.5Very high70 Ų7049.9 Ų49.930%0.30425%0.254SS..PPolyproline II helixtrans-71.8132.5179.1-63.5-176.8-179.5-116.10111.5D81 V85 Y89 M102 E103D81-K87 IonicContact OD1-NZ 2.71Å; D81-K87 PolarHBondContact OD1-NZ 2.73Å; V85-K87 PolarHBondContact O-N 2.76Å; K87-Y89 HydrophobicContact CB-CE1 4.22Å; K87-M102 CarbonylContact O-C 3.58Å; K87-M102 VanDerWaalsContact O-CA 3.25Å; K87-M102 WeakPolarHBondContact O-CA 3.2Å; K87-M102 WeakPolarHBondContact O-CB 3.48Å; K87-E103 HydrophobicContact CB-CB 4.11Å; K87-E103 PolarHBondContact N-OE2 3.26Å; K87-E103 PolarHBondContact O-N 3.24Å
88Y93.4Very high91.8Very high17 Ų1750.2 Ų50.27%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-87.8130.9165.2166.9-96.3000110I74 M77 Q78 G90 S91 I100I74-Y88 HydrophobicContact CG1-CE2 4.47Å; I74-Y88 HydrophobicContact CG2-CD2 4.5Å; I74-Y88 HydrophobicContact CG2-CE1 4.17Å; I74-Y88 HydrophobicContact CG2-CE2 3.76Å; M77-Y88 HydrophobicContact CB-CG 4.42Å; Q78-Y88 HydrophobicContact CB-CD1 3.79Å; Q78-Y88 HydrophobicContact CB-CE1 3.94Å; Q78-Y88 HydrophobicContact CG-CD1 4.01Å; Q78-Y88 HydrophobicContact CG-CE1 3.9Å; Y88-G90 VanDerWaalsContact CE2-C 3.42Å; Y88-G90 WeakPolarHBondContact CE2-O 3.39Å; Y88-G90 VanDerWaalsContact CZ-CA 3.43Å; Y88-G90 VanDerWaalsContact OH-C 3.26Å; Y88-G90 WeakPolarHBondContact OH-CA 3.45Å; Y88-S91 PolarHBondContact OH-N 3.03Å; Y88-S91 PolarHBondContact OH-OG 3.45Å; Y88-I100 HydrophobicContact CD2-CG2 3.94Å; Y88-I100 HydrophobicContact CE2-CG2 4.01Å
89Y94.7Very high92.1Very high16 Ų1646.4 Ų46.46%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-102.5-35.4-178.9-64.2-52.7000113.2L14 K15 K16 L17 V56 K87 V101 E103L14-Y89 HydrophobicContact CB-CE1 4.27Å; L14-Y89 HydrophobicContact CD2-CD2 4.07Å; L14-Y89 HydrophobicContact CD2-CE2 4.08Å; L14-Y89 HydrophobicContact CD2-CG 4.29Å; L14-Y89 HydrophobicContact CG-CD1 4.31Å; L14-Y89 HydrophobicContact CG-CE1 4.22Å; L14-Y89 VanDerWaalsContact O-CE1 3.25Å; L14-Y89 WeakPolarHBondContact O-CE1 3.46Å; K15-Y89 WeakPolarHBondContact O-CD1 3.42Å; K16-Y89 WeakPolarHBondContact CA-O 3.48Å; L17-Y89 PolarHBondContact N-O 3.2Å; V56-Y89 HydrophobicContact CG1-CD2 4.13Å; V56-Y89 HydrophobicContact CG1-CE2 3.99Å; K87-Y89 HydrophobicContact CB-CE1 4.22Å; Y89-V101 HydrophobicContact CD2-CG1 4.3Å; Y89-V101 PolarHBondContact N-O 3.41Å; Y89-E103 HydrophobicContact CE2-CB 4.26Å
90G93.8Very high92.4Very high2 Ų241 Ų412%0.02121%0.212CC..EExtended strand (participates in β ladder)trans167.5177.8-177.300000111.9Y88 V101Y88-G90 VanDerWaalsContact CE2-C 3.42Å; Y88-G90 WeakPolarHBondContact CE2-O 3.39Å; Y88-G90 VanDerWaalsContact CZ-CA 3.43Å; Y88-G90 VanDerWaalsContact OH-C 3.26Å; Y88-G90 WeakPolarHBondContact OH-CA 3.45Å; G90-V101 WeakPolarHBondContact O-CB 3.08Å; G90-V101 PolarHBondContact O-N 2.82Å
91S93.5Very high92.7Very high36 Ų3640.6 Ų40.625%0.25221%0.209SC..EExtended strand (participates in β ladder)trans-145.4145.8176.452.10000112Y88 W99Y88-S91 PolarHBondContact OH-N 3.03Å; Y88-S91 PolarHBondContact OH-OG 3.45Å; S91-W99 CarbonylContact C-O 3.53Å; S91-W99 WeakPolarHBondContact CA-O 3.38Å; S91-W99 VanDerWaalsContact CB-O 3.32Å; S91-W99 WeakPolarHBondContact CB-O 3.14Å
92Y93.6Very high92.8Very high9 Ų936.1 Ų36.14%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-118.6143.6178.1-63.4-99.3000109.7L17 S21 L22 K24 P26 F30 W99 V101L17-Y92 HydrophobicContact CD1-CE2 3.75Å; S21-Y92 VanDerWaalsContact C-OH 3.3Å; S21-Y92 WeakPolarHBondContact O-CE1 3.45Å; S21-Y92 PolarHBondContact O-OH 3.31Å; S21-Y92 PolarHBondContact OG-OH 3.22Å; L22-Y92 HydrophobicContact CD2-CE2 4.21Å; K24-Y92 WeakPolarHBondContact O-CD1 3.32Å; K24-Y92 VanDerWaalsContact O-CE1 3.28Å; K24-Y92 WeakPolarHBondContact O-CE1 3.23Å; P26-Y92 HydrophobicContact CB-CD1 4.22Å; P26-Y92 HydrophobicContact CB-CD2 4.29Å; P26-Y92 HydrophobicContact CB-CG 3.99Å; P26-Y92 HydrophobicContact CG-CG 4.46Å; F30-Y92 AromaticContact CE2-CE2 3.7Å; F30-Y92 HydrophobicContact CE2-CE2 3.7Å; Y92-W99 PolarHBondContact N-O 3.29Å; Y92-W99 PolarHBondContact O-N 3.22Å; Y92-V101 HydrophobicContact CD2-CG2 4.06Å; Y92-V101 HydrophobicContact CE2-CG2 4.05Å
93F91Very high92.8Very high130 Ų13037.4 Ų37.457%0.5719%0.19SC*.EExtended strand (participates in β ladder)trans-96.8123.1166.5-168.7-79000107.8V63 N95V63-F93 HydrophobicContact CB-CE2 4.31Å; V63-F93 HydrophobicContact CG1-CE2 3.93Å; V63-F93 HydrophobicContact CG1-CZ 4.32Å; V63-F93 HydrophobicContact CG2-CD2 4.24Å; V63-F93 HydrophobicContact CG2-CE2 3.57Å; V63-F93 HydrophobicContact CG2-CZ 4.1Å; F93-N95 WeakPolarHBondContact CE1-O 3.41Å
94K87.1Confident92.8Very high39 Ų3936.2 Ų36.217%0.1718%0.175CC..EExtended strand (participates in β ladder)trans-142.5134.7177.5174.9168.5176.8175.80110.4P26 E27 T96 D97 W99P26-K94 HydrophobicContact CG-CB 4.3Å; P26-K94 HydrophobicContact CG-CD 3.81Å; E27-K94 IonicContact OE1-NZ 2.75Å; E27-K94 PolarHBondContact OE1-NZ 3.06Å; E27-K94 IonicContact OE2-NZ 2.7Å; E27-K94 PolarHBondContact OE2-NZ 2.92Å; K94-T96 PolarHBondContact O-N 3.13Å; K94-T96 VanDerWaalsContact O-N 3.11Å; K94-D97 PolarHBondContact N-O 2.63Å; K94-D97 WeakPolarHBondContact O-CA 2.97Å; K94-D97 PolarHBondContact O-N 3.04Å; K94-D97 VanDerWaalsContact O-O 3.1Å; K94-W99 HydrophobicContact CD-CZ2 4.09Å
95N86.6Confident92.7Very high110 Ų11033.8 Ų33.859%0.58817%0.167SC*.THydrogen-bonded Turntrans52.9-114.3-176.7-56.1-9.2000110.1F93F93-N95 WeakPolarHBondContact CE1-O 3.41Å
96T86.8Confident92.6Very high85 Ų8534.2 Ų34.252%0.52117%0.173SC..THydrogen-bonded Turntrans-106.39.5175.645.50000113V63 K94V63-T96 WeakPolarHBondContact CB-O 3.5Å; V63-T96 WeakPolarHBondContact CG2-O 3.4Å; V63-T96 PolarHBondContact N-O 3.49Å; K94-T96 PolarHBondContact O-N 3.13Å; K94-T96 VanDerWaalsContact O-N 3.11Å
97D88.6Confident92.6Very high35 Ų3534.5 Ų34.519%0.18718%0.176CC..EExtended strand (participates in β ladder)trans-120.6143.3-168.5-56-49.9000113.6P62 K94P62-D97 WeakPolarHBondContact CA-OD1 3.36Å; K94-D97 PolarHBondContact N-O 2.63Å; K94-D97 WeakPolarHBondContact O-CA 2.97Å; K94-D97 PolarHBondContact O-N 3.04Å; K94-D97 VanDerWaalsContact O-O 3.1Å
98L90.5Very high92.7Very high15 Ų1532.2 Ų32.28%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-96.7112168-178.353.7000109V61 V63 L67 I70 I74 I100V61-L98 PolarHBondContact N-O 2.93Å; V61-L98 PolarHBondContact O-N 3.43Å; V63-L98 HydrophobicContact CG2-CB 4.14Å; L67-L98 HydrophobicContact CD1-CD2 4.02Å; I70-L98 HydrophobicContact CG2-CD2 3.73Å; I74-L98 HydrophobicContact CD1-CD2 3.81Å; I74-L98 HydrophobicContact CD1-CG 4.35Å; L98-I100 HydrophobicContact CG-CG1 4.31Å
99W93.2Very high92.9Very high15 Ų1531.6 Ų31.66%0.05717%0.17CC..EExtended strand (participates in β ladder)trans-91.6114.9179.6-71.438.3000109.5P26 E27 V32 I58 Q60 S91 Y92 K94P26-W99 HydrophobicContact CB-CD2 4.44Å; P26-W99 HydrophobicContact CB-CE3 3.68Å; P26-W99 HydrophobicContact CB-CZ3 3.82Å; P26-W99 HydrophobicContact CG-CD2 4.25Å; P26-W99 HydrophobicContact CG-CE3 3.9Å; P26-W99 HydrophobicContact CG-CH2 4.4Å; P26-W99 HydrophobicContact CG-CZ3 3.99Å; E27-W99 WeakPolarHBondContact OE1-CH2 3.25Å; V32-W99 HydrophobicContact CG2-CH2 4.23Å; V32-W99 HydrophobicContact CG2-CZ3 3.94Å; I58-W99 HydrophobicContact CD1-CE3 4.32Å; I58-W99 HydrophobicContact CD1-CZ3 4.48Å; I58-W99 HydrophobicContact CG2-CB 4.05Å; I58-W99 HydrophobicContact CG2-CD2 4.17Å; I58-W99 HydrophobicContact CG2-CE3 3.75Å; I58-W99 HydrophobicContact CG2-CG 4.34Å; Q60-W99 HydrophobicContact CG-CD2 4.06Å; Q60-W99 HydrophobicContact CG-CG 4.08Å; Q60-W99 VanDerWaalsContact NE2-CE2 3.32Å; S91-W99 CarbonylContact C-O 3.53Å; S91-W99 WeakPolarHBondContact CA-O 3.38Å; S91-W99 VanDerWaalsContact CB-O 3.32Å; S91-W99 WeakPolarHBondContact CB-O 3.14Å; Y92-W99 PolarHBondContact N-O 3.29Å; Y92-W99 PolarHBondContact O-N 3.22Å; K94-W99 HydrophobicContact CD-CZ2 4.09Å
100I92.6Very high93.1Very high3 Ų330.9 Ų30.92%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-104.8112.5-177-52.9177000109.2I58 K59 V61 I70 I74 Y88 L98 M102I58-I100 WeakPolarHBondContact CA-O 3.45Å; K59-I100 HydrophobicContact CB-CB 4.36Å; K59-I100 PolarHBondContact N-O 3.19Å; K59-I100 PolarHBondContact O-N 2.94Å; V61-I100 HydrophobicContact CG2-CD1 4.01Å; I70-I100 HydrophobicContact CG2-CD1 3.92Å; I74-I100 HydrophobicContact CD1-CD1 3.9Å; I74-I100 HydrophobicContact CD1-CG1 3.99Å; I74-I100 HydrophobicContact CG1-CD1 4.06Å; I74-I100 HydrophobicContact CG1-CG1 4.42Å; Y88-I100 HydrophobicContact CD2-CG2 3.94Å; Y88-I100 HydrophobicContact CE2-CG2 4.01Å; L98-I100 HydrophobicContact CG-CG1 4.31Å; I100-M102 HydrophobicContact CB-CE 4.35Å; I100-M102 HydrophobicContact CG2-CE 4.05Å
101V95.6Very high93.2Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-93.3124.9-176.3-168.80000110.6F30 V56 I58 Y89 G90 Y92F30-V101 HydrophobicContact CE1-CG1 3.88Å; F30-V101 HydrophobicContact CE2-CG1 4.48Å; F30-V101 HydrophobicContact CE2-CG2 4.09Å; F30-V101 HydrophobicContact CZ-CB 4.49Å; F30-V101 HydrophobicContact CZ-CG1 3.72Å; F30-V101 HydrophobicContact CZ-CG2 4.1Å; V56-V101 HydrophobicContact CB-CG1 4.19Å; V56-V101 HydrophobicContact CG1-CG1 4.49Å; V56-V101 HydrophobicContact CG2-CG1 4.04Å; I58-V101 HydrophobicContact CG1-CG1 4.45Å; I58-V101 HydrophobicContact CG1-CG2 4.34Å; Y89-V101 HydrophobicContact CD2-CG1 4.3Å; Y89-V101 PolarHBondContact N-O 3.41Å; G90-V101 WeakPolarHBondContact O-CB 3.08Å; G90-V101 PolarHBondContact O-N 2.82Å; Y92-V101 HydrophobicContact CD2-CG2 4.06Å; Y92-V101 HydrophobicContact CE2-CG2 4.05Å
102M94.6Very high93.3Very high18 Ų1833.1 Ų33.19%0.08918%0.179CC..EExtended strand (participates in β ladder)trans-144169.8-171.873.4-172.177.100114.3A57 K59 V86 K87 I100 Y104A57-M102 HydrophobicContact CB-CG 3.8Å; A57-M102 PolarHBondContact N-O 3.25Å; A57-M102 PolarHBondContact O-N 3.03Å; K59-M102 HydrophobicContact CB-CE 3.44Å; K59-M102 VanDerWaalsContact CB-CE 3.44Å; K59-M102 HydrophobicContact CD-CE 4.07Å; K59-M102 HydrophobicContact CG-CE 4.42Å; V86-M102 HydrophobicContact CG1-CB 3.97Å; V86-M102 HydrophobicContact CG1-CG 4.17Å; V86-M102 HydrophobicContact CG1-SD 4.23Å; K87-M102 CarbonylContact O-C 3.58Å; K87-M102 VanDerWaalsContact O-CA 3.25Å; K87-M102 WeakPolarHBondContact O-CA 3.2Å; K87-M102 WeakPolarHBondContact O-CB 3.48Å; I100-M102 HydrophobicContact CB-CE 4.35Å; I100-M102 HydrophobicContact CG2-CE 4.05Å; M102-Y104 PolarHBondContact O-N 2.7Å
103E95.2Very high93.5Very high36 Ų3632.7 Ų32.717%0.16818%0.177CC..EExtended strand (participates in β ladder)trans-64.4122.2178.7-177.6178-156.900113.1V86 K87 Y89 C105 K164V86-E103 HydrophobicContact CG1-CB 4.14Å; K87-E103 HydrophobicContact CB-CB 4.11Å; K87-E103 PolarHBondContact N-OE2 3.26Å; K87-E103 PolarHBondContact O-N 3.24Å; Y89-E103 HydrophobicContact CE2-CB 4.26Å; E103-C105 PolarHBondContact O-N 2.75Å; E103-K164 VanDerWaalsContact CD-CE 3.41Å; E103-K164 WeakPolarHBondContact OE1-CE 3.47Å; E103-K164 IonicContact OE1-NZ 2.63Å; E103-K164 PolarHBondContact OE1-NZ 3.02Å; E103-K164 WeakPolarHBondContact OE2-CE 3.14Å; E103-K164 IonicContact OE2-NZ 2.73Å; E103-K164 PolarHBondContact OE2-NZ 3.41Å
104Y96.2Very high93.8Very high56 Ų5627.5 Ų27.522%0.2216%0.155CC..  trans-72.9113.4-179.4179.5-112.1000112.5L36 K46 V55 A57 M102 G106L36-Y104 HydrophobicContact CD1-CD2 4.1Å; L36-Y104 HydrophobicContact CD1-CE2 3.72Å; L36-Y104 HydrophobicContact CD2-CE2 4.02Å; K46-Y104 HydrophobicContact CB-CE2 4.47Å; K46-Y104 HydrophobicContact CD-CE2 4.27Å; K46-Y104 HydrophobicContact CG-CD2 4.4Å; K46-Y104 HydrophobicContact CG-CE2 3.94Å; V55-Y104 HydrophobicContact CB-CD1 4.16Å; V55-Y104 HydrophobicContact CB-CG 4.49Å; V55-Y104 HydrophobicContact CG1-CD1 3.57Å; V55-Y104 HydrophobicContact CG1-CD2 4.22Å; V55-Y104 HydrophobicContact CG1-CE1 3.95Å; V55-Y104 HydrophobicContact CG1-CG 3.7Å; A57-Y104 HydrophobicContact CB-CD2 4.44Å; M102-Y104 PolarHBondContact O-N 2.7Å; Y104-G106 VanDerWaalsContact CE1-CA 3.41Å; Y104-G106 PolarHBondContact O-N 2.89Å
105C96.4Very high94.2Very high12 Ų1232.6 Ų32.68%0.08117%0.174CC..  trans-97.885.7174.9-640000110.1E103 A107 G108 L156 L157E103-C105 PolarHBondContact O-N 2.75Å; C105-A107 VanDerWaalsContact C-N 3.26Å; C105-A107 PolarHBondContact O-N 2.99Å; C105-A107 VanDerWaalsContact O-N 3.09Å; C105-G108 PolarHBondContact O-N 3.44Å; C105-L156 HydrophobicContact CB-CB 3.52Å; C105-L156 HydrophobicContact CB-CD1 4Å; C105-L156 HydrophobicContact CB-CG 4.42Å; C105-L157 CarbonylContact C-O 3.59Å; C105-L157 VanDerWaalsContact C-O 3.22Å
106G93.5Very high94.6Very high13 Ų1328.4 Ų28.413%0.13415%0.151CC..THydrogen-bonded Turntrans-62.9-16.1-164.600000117.8Y104 G108Y104-G106 VanDerWaalsContact CE1-CA 3.41Å; Y104-G106 PolarHBondContact O-N 2.89Å; G106-G108 VanDerWaalsContact C-N 3.34Å
107A95.1Very high95.1Very high8 Ų825.9 Ų25.97%0.06613%0.132CC..THydrogen-bonded Turntrans-86.2-5.8174.500000113.2C105 I113 L157 I294C105-A107 VanDerWaalsContact C-N 3.26Å; C105-A107 PolarHBondContact O-N 2.99Å; C105-A107 VanDerWaalsContact O-N 3.09Å; A107-I113 HydrophobicContact CB-CD1 4.08Å; A107-I113 WeakPolarHBondContact O-CG1 3.46Å; A107-L157 HydrophobicContact CB-CB 3.91Å; A107-L157 WeakPolarHBondContact CB-O 3.41Å; A107-L157 PolarHBondContact N-O 2.69Å; A107-I294 HydrophobicContact CB-CB 4.45Å; A107-I294 HydrophobicContact CB-CG1 3.95Å; A107-I294 HydrophobicContact CB-CG2 3.92Å
108G95.2Very high95.4Very high22 Ų2231.3 Ų31.323%0.22716%0.161CC..EExtended strand (participates in β ladder)trans79.2-160.9-175.200000113C105 G106 L156 L157C105-G108 PolarHBondContact O-N 3.44Å; G106-G108 VanDerWaalsContact C-N 3.34Å; G108-L156 WeakPolarHBondContact O-CA 3.47Å; G108-L157 PolarHBondContact O-N 3.28Å
109S96.9Very high95.8Very high4 Ų435.6 Ų35.63%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-80.1161173.1740000112.3S111 D112 I113 G153 I155S109-S111 PolarHBondContact O-N 2.91Å; S109-S111 PolarHBondContact OG-N 2.92Å; S109-D112 VanDerWaalsContact CB-OD2 3.27Å; S109-D112 WeakPolarHBondContact CB-OD2 3.3Å; S109-D112 PolarHBondContact N-OD2 2.89Å; S109-D112 WeakPolarHBondContact O-CB 3.39Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.09Å; S109-D112 PolarHBondContact OG-N 2.85Å; S109-D112 PolarHBondContact OG-OD2 2.75Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 2.64Å; S109-G153 WeakPolarHBondContact CB-O 3.47Å; S109-I155 WeakPolarHBondContact CA-O 3.42Å
110V98.3Very high96Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-60.5-33.9171.7177.50000111.2I113 I114 L121 I129 A152 I155 L157 M217V110-I113 PolarHBondContact O-N 2.7Å; V110-I114 HydrophobicContact CG1-CD1 4.03Å; V110-I114 WeakPolarHBondContact O-CG1 3.34Å; V110-I114 PolarHBondContact O-N 2.62Å; V110-I114 VanDerWaalsContact O-N 3.08Å; V110-L121 HydrophobicContact CG1-CD1 3.78Å; V110-I129 HydrophobicContact CG1-CD1 4.45Å; V110-I129 HydrophobicContact CG2-CD1 4.1Å; V110-I129 HydrophobicContact CG2-CG2 4.19Å; V110-A152 HydrophobicContact CB-CB 4.14Å; V110-A152 HydrophobicContact CG1-CB 4.22Å; V110-A152 PolarHBondContact N-O 2.87Å; V110-A152 VanDerWaalsContact N-O 3.14Å; V110-I155 HydrophobicContact CG2-CB 4.22Å; V110-I155 HydrophobicContact CG2-CG2 3.94Å; V110-I155 PolarHBondContact N-O 2.71Å; V110-L157 HydrophobicContact CG2-CD1 4.01Å; V110-L157 HydrophobicContact CG2-CG 4.49Å; V110-M217 HydrophobicContact CG1-CG 3.76Å; V110-M217 HydrophobicContact CG1-SD 3.8Å
111S96.9Very high96.3Very high41 Ų4138 Ų3829%0.28720%0.195SC..Hα-helixtrans-64.6-39.3173-166.70000112.4S109 R115 A152S109-S111 PolarHBondContact O-N 2.91Å; S109-S111 PolarHBondContact OG-N 2.92Å; S111-R115 VanDerWaalsContact O-CB 3.28Å; S111-R115 WeakPolarHBondContact O-CB 3.3Å; S111-R115 PolarHBondContact O-N 2.6Å; S111-A152 PolarHBondContact N-O 3.46Å
112D95.3Very high96.4Very high44 Ų4441.7 Ų41.724%0.23522%0.218CC..Hα-helixtrans-64.7-43.2174.8-58.3-47.5000111.8S109 I114 R115 L116S109-D112 VanDerWaalsContact CB-OD2 3.27Å; S109-D112 WeakPolarHBondContact CB-OD2 3.3Å; S109-D112 PolarHBondContact N-OD2 2.89Å; S109-D112 WeakPolarHBondContact O-CB 3.39Å; S109-D112 PolarHBondContact O-N 2.67Å; S109-D112 VanDerWaalsContact O-N 3.09Å; S109-D112 PolarHBondContact OG-N 2.85Å; S109-D112 PolarHBondContact OG-OD2 2.75Å; D112-I114 PolarHBondContact O-N 2.78Å; D112-R115 CarbonylContact O-C 3.44Å; D112-R115 PolarHBondContact O-N 2.64Å; D112-R115 IonicContact OD1-CZ 2.62Å; D112-R115 IonicContact OD1-NH1 2.6Å; D112-R115 PolarHBondContact OD1-NH1 2.72Å; D112-R115 IonicContact OD1-NH2 3.83Å; D112-R115 PolarHBondContact OD1-NH2 2.77Å; D112-L116 VanDerWaalsContact O-CB 3.28Å; D112-L116 WeakPolarHBondContact O-CB 3.44Å; D112-L116 VanDerWaalsContact O-CG 3.23Å; D112-L116 WeakPolarHBondContact O-CG 2.99Å; D112-L116 PolarHBondContact O-N 2.63Å
113I97.6Very high96.6Very high1 Ų143 Ų431%0.00522%0.224CC..Hα-helixtrans-61.6-45.1178.6-70.6164000111A107 S109 V110 R115 L116 R117 L157 L293 A297A107-I113 HydrophobicContact CB-CD1 4.08Å; A107-I113 WeakPolarHBondContact O-CG1 3.46Å; S109-I113 WeakPolarHBondContact O-CG1 3.49Å; S109-I113 PolarHBondContact O-N 2.64Å; V110-I113 PolarHBondContact O-N 2.7Å; I113-R115 VanDerWaalsContact C-N 3.35Å; I113-R115 PolarHBondContact O-N 3.22Å; I113-L116 PolarHBondContact O-N 3.3Å; I113-R117 WeakPolarHBondContact O-CB 3.27Å; I113-R117 VanDerWaalsContact O-CG 3.3Å; I113-R117 WeakPolarHBondContact O-CG 3.36Å; I113-R117 PolarHBondContact O-N 3.42Å; I113-L157 HydrophobicContact CD1-CB 4.27Å; I113-L157 HydrophobicContact CD1-CD1 3.6Å; I113-L293 HydrophobicContact CD1-CD2 4.12Å; I113-L293 HydrophobicContact CG2-CD1 4.24Å; I113-L293 HydrophobicContact CG2-CD2 3.69Å; I113-L293 HydrophobicContact CG2-CG 3.76Å; I113-A297 HydrophobicContact CB-CB 4.37Å; I113-A297 HydrophobicContact CG1-CB 4Å; I113-A297 HydrophobicContact CG2-CB 4.15Å
114I97.8Very high96.8Very high20 Ų2044.4 Ų44.410%0.10323%0.233CC..Hα-helixtrans-61.1-43.8175.4-69165.9000110.7V110 D112 N118 K119 L121 M217V110-I114 HydrophobicContact CG1-CD1 4.03Å; V110-I114 WeakPolarHBondContact O-CG1 3.34Å; V110-I114 PolarHBondContact O-N 2.62Å; V110-I114 VanDerWaalsContact O-N 3.08Å; D112-I114 PolarHBondContact O-N 2.78Å; I114-N118 WeakPolarHBondContact O-CA 3.33Å; I114-N118 PolarHBondContact O-N 2.87Å; I114-K119 PolarHBondContact O-N 3.42Å; I114-L121 HydrophobicContact CD1-CG 4.17Å; I114-L121 HydrophobicContact CG1-CD2 4.01Å; I114-L121 HydrophobicContact CG1-CG 4.1Å; I114-M217 HydrophobicContact CD1-CB 4.46Å; I114-M217 HydrophobicContact CD1-CG 4.44Å
115R95.7Very high96.9Very high147 Ų14742.7 Ų42.756%0.55523%0.227SC*.Hα-helixtrans-71.3-32.8-179.7-169.917475.3-101.11.7113.8S111 D112 I113S111-R115 VanDerWaalsContact O-CB 3.28Å; S111-R115 WeakPolarHBondContact O-CB 3.3Å; S111-R115 PolarHBondContact O-N 2.6Å; D112-R115 CarbonylContact O-C 3.44Å; D112-R115 PolarHBondContact O-N 2.64Å; D112-R115 IonicContact OD1-CZ 2.62Å; D112-R115 IonicContact OD1-NH1 2.6Å; D112-R115 PolarHBondContact OD1-NH1 2.72Å; D112-R115 IonicContact OD1-NH2 3.83Å; D112-R115 PolarHBondContact OD1-NH2 2.77Å; I113-R115 VanDerWaalsContact C-N 3.35Å; I113-R115 PolarHBondContact O-N 3.22Å
116L94.9Very high97Very high22 Ų2242.1 Ų42.112%0.11522%0.223CC..Hα-helixtrans-72.5-50.7175.5-76.8164.8000110.6D112 I113 N118 A297 K301 R304D112-L116 VanDerWaalsContact O-CB 3.28Å; D112-L116 WeakPolarHBondContact O-CB 3.44Å; D112-L116 VanDerWaalsContact O-CG 3.23Å; D112-L116 WeakPolarHBondContact O-CG 2.99Å; D112-L116 PolarHBondContact O-N 2.63Å; I113-L116 PolarHBondContact O-N 3.3Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.07Å; L116-A297 HydrophobicContact CD1-CB 4.47Å; L116-K301 HydrophobicContact CD1-CB 4.17Å; L116-K301 HydrophobicContact CD2-CB 4.24Å; L116-R304 PolarHBondContact O-NH2 2.85Å
117R96.4Very high97.3Very high32 Ų3241.6 Ų41.612%0.12122%0.217CC..Hα-helixtrans-72.3-20-179.6-63.3174.976.3-161.214.2113.8I113 K119 E125 E296 A297 M300I113-R117 WeakPolarHBondContact O-CB 3.27Å; I113-R117 VanDerWaalsContact O-CG 3.3Å; I113-R117 WeakPolarHBondContact O-CG 3.36Å; I113-R117 PolarHBondContact O-N 3.42Å; R117-K119 HydrophobicContact CB-CB 4.11Å; R117-K119 HydrophobicContact CB-CD 4.32Å; R117-K119 HydrophobicContact CB-CG 4.44Å; R117-K119 WeakPolarHBondContact O-CG 3.35Å; R117-K119 PolarHBondContact O-N 3.2Å; R117-E125 IonicContact NH1-OE1 3.65Å; R117-E125 PolarHBondContact NH1-OE1 3.48Å; R117-E296 HydrophobicContact CG-CG 4.22Å; R117-E296 IonicContact CZ-OE2 2.65Å; R117-E296 IonicContact NE-OE2 2.63Å; R117-E296 PolarHBondContact NE-OE2 2.91Å; R117-E296 IonicContact NH2-OE2 2.76Å; R117-E296 PolarHBondContact NH2-OE2 3.31Å; R117-A297 HydrophobicContact CG-CB 4.23Å; R117-M300 HydrophobicContact CB-CE 4.34Å; R117-M300 HydrophobicContact CG-CE 4.14Å
118N96.1Very high97.5Very high149 Ų14941.3 Ų41.380%0.79722%0.215SC*.THydrogen-bonded Turntrans52.239.4-167.8-165.835.5000112.4I114 L116I114-N118 WeakPolarHBondContact O-CA 3.33Å; I114-N118 PolarHBondContact O-N 2.87Å; L116-N118 VanDerWaalsContact C-N 3.29Å; L116-N118 PolarHBondContact O-N 3.07Å
119K97.5Very high97.6Very high104 Ų10440.3 Ų40.345%0.45220%0.204SC..  trans-142.1136-174.6-68.7167.5-167172.80109.1I114 R117 E296I114-K119 PolarHBondContact O-N 3.42Å; R117-K119 HydrophobicContact CB-CB 4.11Å; R117-K119 HydrophobicContact CB-CD 4.32Å; R117-K119 HydrophobicContact CB-CG 4.44Å; R117-K119 WeakPolarHBondContact O-CG 3.35Å; R117-K119 PolarHBondContact O-N 3.2Å; K119-E296 IonicContact NZ-OE1 2.75Å; K119-E296 PolarHBondContact NZ-OE1 3.48Å; K119-E296 IonicContact NZ-OE2 2.68Å
120T98.2Very high97.7Very high65 Ų6540.1 Ų40.140%0.39920%0.203SC..PPolyproline II helixtrans-76.1169.9168.657.60000110.8M217 A218 G220T120-M217 WeakPolarHBondContact CB-O 3.29Å; T120-A218 VanDerWaalsContact CB-O 3.26Å; T120-A218 WeakPolarHBondContact CB-O 3.4Å; T120-A218 WeakPolarHBondContact CG2-O 3.43Å; T120-A218 PolarHBondContact OG1-O 3.36Å; T120-G220 VanDerWaalsContact CG2-N 3.31Å
121L98.7Very high97.8Very high3 Ų342.6 Ų42.62%0.01621%0.213CC..PPolyproline II helixtrans-91.5149.2-176.4-56.5-164.2000112.4V110 I114 E125 I126 I129 M217 L293V110-L121 HydrophobicContact CG1-CD1 3.78Å; I114-L121 HydrophobicContact CD1-CG 4.17Å; I114-L121 HydrophobicContact CG1-CD2 4.01Å; I114-L121 HydrophobicContact CG1-CG 4.1Å; L121-E125 HydrophobicContact CB-CB 4.33Å; L121-I126 HydrophobicContact CB-CD1 3.97Å; L121-I126 HydrophobicContact CB-CG1 3.56Å; L121-I126 HydrophobicContact CD1-CG1 4.34Å; L121-I129 HydrophobicContact CD1-CD1 3.55Å; L121-M217 HydrophobicContact CD1-CB 4.27Å; L121-M217 HydrophobicContact CD1-CG 4.37Å; L121-M217 HydrophobicContact CD1-SD 4.28Å; L121-M217 HydrophobicContact CG-CB 4.42Å; L121-M217 PolarHBondContact N-O 3.27Å; L121-L293 HydrophobicContact CD1-CD1 4.48Å; L121-L293 HydrophobicContact CD2-CD1 3.56Å
122T98.6Very high97.9Very high79 Ų7941 Ų4149%0.48520%0.203SC..PPolyproline II helixtrans-76.8159.9170.363.80000111.7D124 E125 I126T122-D124 VanDerWaalsContact C-N 3.31Å; T122-D124 PolarHBondContact O-N 3.24Å; T122-E125 WeakPolarHBondContact CB-OE2 3.45Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.38Å; T122-E125 PolarHBondContact N-OE2 3.5Å; T122-E125 PolarHBondContact O-N 3.37Å; T122-E125 VanDerWaalsContact OG1-CD 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.44Å; T122-E125 PolarHBondContact OG1-OE2 3.42Å; T122-I126 WeakPolarHBondContact O-CB 3.49Å; T122-I126 VanDerWaalsContact O-CG1 3.3Å; T122-I126 WeakPolarHBondContact O-CG1 3.35Å; T122-I126 PolarHBondContact O-N 3.15Å
123E98.8Very high98Very high46 Ų4639 Ų3922%0.21519%0.191CC..Hα-helixtrans-57-40.2179.1-78.8-168.8-143.400113.8I126 A127 W250 S251 F254 F280E123-I126 PolarHBondContact O-N 2.92Å; E123-A127 VanDerWaalsContact O-CB 3.24Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.34Å; E123-W250 HydrophobicContact CG-CE3 3.86Å; E123-W250 HydrophobicContact CG-CZ3 4.18Å; E123-W250 VanDerWaalsContact OE1-CA 3.27Å; E123-W250 WeakPolarHBondContact OE1-CA 2.86Å; E123-S251 PolarHBondContact OE1-N 3.3Å; E123-S251 VanDerWaalsContact OE2-CB 3.24Å; E123-S251 WeakPolarHBondContact OE2-CB 3.45Å; E123-S251 PolarHBondContact OE2-OG 3.23Å; E123-F254 HydrophobicContact CG-CB 4.39Å; E123-F254 HydrophobicContact CG-CD1 3.63Å; E123-F254 HydrophobicContact CG-CE1 4.17Å; E123-F254 HydrophobicContact CG-CG 4.24Å; E123-F254 WeakPolarHBondContact OE2-CB 3.38Å; E123-F280 HydrophobicContact CB-CE2 4.06Å; E123-F280 HydrophobicContact CB-CZ 4.49Å; E123-F280 HydrophobicContact CG-CE2 4.27Å
124D98.7Very high98.1Very high65 Ų6538.9 Ų38.935%0.34819%0.191SC..Hα-helixtrans-67.1-41178.9-94.7-23.2000112T122 T128 K285 I289T122-D124 VanDerWaalsContact C-N 3.31Å; T122-D124 PolarHBondContact O-N 3.24Å; D124-T128 VanDerWaalsContact O-CB 3.28Å; D124-T128 WeakPolarHBondContact O-CB 3.25Å; D124-T128 PolarHBondContact O-N 3.4Å; D124-T128 VanDerWaalsContact O-N 3.11Å; D124-T128 PolarHBondContact O-OG1 3.01Å; D124-K285 HydrophobicContact CB-CG 4.06Å; D124-K285 WeakPolarHBondContact OD1-CE 3.19Å; D124-K285 WeakPolarHBondContact OD1-CG 3.3Å; D124-K285 IonicContact OD1-NZ 2.64Å; D124-K285 PolarHBondContact OD1-NZ 3.35Å; D124-K285 WeakPolarHBondContact OD2-CE 3.33Å; D124-K285 IonicContact OD2-NZ 3.87Å; D124-K285 PolarHBondContact OD2-NZ 3.41Å; D124-I289 HydrophobicContact CB-CD1 3.87Å; D124-I289 WeakPolarHBondContact O-CD1 3.34Å
125E98.8Very high98.1Very high20 Ų2041.1 Ų41.19%0.09320%0.2CC..Hα-helixtrans-61.5-49.3172.9-69.6163.613400110.4R117 L121 T122 T128 I129 I289 L290 L293R117-E125 IonicContact NH1-OE1 3.65Å; R117-E125 PolarHBondContact NH1-OE1 3.48Å; L121-E125 HydrophobicContact CB-CB 4.33Å; T122-E125 WeakPolarHBondContact CB-OE2 3.45Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.38Å; T122-E125 PolarHBondContact N-OE2 3.5Å; T122-E125 PolarHBondContact O-N 3.37Å; T122-E125 VanDerWaalsContact OG1-CD 3.26Å; T122-E125 WeakPolarHBondContact OG1-CG 3.44Å; T122-E125 PolarHBondContact OG1-OE2 3.42Å; E125-T128 PolarHBondContact O-N 2.93Å; E125-I129 WeakPolarHBondContact O-CG1 3.44Å; E125-I129 PolarHBondContact O-N 3.14Å; E125-I289 HydrophobicContact CG-CD1 4.49Å; E125-L290 HydrophobicContact CB-CD2 3.89Å; E125-L290 HydrophobicContact CG-CD2 4Å; E125-L293 HydrophobicContact CB-CD1 4.41Å; E125-L293 HydrophobicContact CG-CD1 4.1Å; E125-L293 WeakPolarHBondContact OE1-CD1 3.38Å
126I98.9Very high98.2Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-58.8-51.1179.6-71.7171.4000111.3L121 T122 E123 T128 I129 L130 M217 A218 F254 F280L121-I126 HydrophobicContact CB-CD1 3.97Å; L121-I126 HydrophobicContact CB-CG1 3.56Å; L121-I126 HydrophobicContact CD1-CG1 4.34Å; T122-I126 WeakPolarHBondContact O-CB 3.49Å; T122-I126 VanDerWaalsContact O-CG1 3.3Å; T122-I126 WeakPolarHBondContact O-CG1 3.35Å; T122-I126 PolarHBondContact O-N 3.15Å; E123-I126 PolarHBondContact O-N 2.92Å; I126-T128 VanDerWaalsContact C-N 3.26Å; I126-T128 PolarHBondContact O-N 3.37Å; I126-I129 PolarHBondContact O-N 3.08Å; I126-L130 HydrophobicContact CG2-CD1 3.46Å; I126-L130 VanDerWaalsContact CG2-CD1 3.46Å; I126-L130 HydrophobicContact CG2-CG 4.17Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 VanDerWaalsContact O-CG 3.27Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.15Å; I126-M217 HydrophobicContact CD1-CB 4.01Å; I126-M217 HydrophobicContact CG1-CB 3.89Å; I126-M217 HydrophobicContact CG2-CE 3.97Å; I126-A218 HydrophobicContact CD1-CB 3.99Å; I126-F254 HydrophobicContact CD1-CE1 4.2Å; I126-F254 HydrophobicContact CD1-CZ 3.95Å; I126-F254 HydrophobicContact CG2-CE2 3.86Å; I126-F254 HydrophobicContact CG2-CZ 3.84Å; I126-F280 HydrophobicContact CG2-CE1 4.15Å; I126-F280 HydrophobicContact CG2-CZ 4.06Å
127A98.9Very high98.4Very high1 Ų133.1 Ų33.11%0.00817%0.168CC..Hα-helixtrans-61.8-36.9-179.500000111.6E123 K131 F280 A284E123-A127 VanDerWaalsContact O-CB 3.24Å; E123-A127 WeakPolarHBondContact O-CB 3.41Å; E123-A127 PolarHBondContact O-N 3.34Å; A127-K131 VanDerWaalsContact O-CB 3.23Å; A127-K131 WeakPolarHBondContact O-CB 3.29Å; A127-K131 PolarHBondContact O-N 2.93Å; A127-F280 HydrophobicContact CB-CD1 4.16Å; A127-F280 HydrophobicContact CB-CD2 4.31Å; A127-F280 HydrophobicContact CB-CE1 3.78Å; A127-F280 HydrophobicContact CB-CE2 3.94Å; A127-F280 HydrophobicContact CB-CG 4.4Å; A127-F280 HydrophobicContact CB-CZ 3.66Å; A127-A284 VanDerWaalsContact C-CB 3.46Å; A127-A284 HydrophobicContact CB-CB 3.45Å; A127-A284 VanDerWaalsContact CB-CB 3.45Å; A127-A284 WeakPolarHBondContact O-CB 3.37Å
128T98.8Very high98.5Very high3 Ų334.6 Ų34.62%0.01818%0.176CC..Hα-helixtrans-69.1-40.1179.3-58.70000112D124 E125 I126 S132 K285 V287 I289 L290D124-T128 VanDerWaalsContact O-CB 3.28Å; D124-T128 WeakPolarHBondContact O-CB 3.25Å; D124-T128 PolarHBondContact O-N 3.4Å; D124-T128 VanDerWaalsContact O-N 3.11Å; D124-T128 PolarHBondContact O-OG1 3.01Å; E125-T128 PolarHBondContact O-N 2.93Å; I126-T128 VanDerWaalsContact C-N 3.26Å; I126-T128 PolarHBondContact O-N 3.37Å; T128-S132 PolarHBondContact O-OG 3.47Å; T128-K285 PolarHBondContact OG1-N 3.38Å; T128-K285 PolarHBondContact OG1-O 3.19Å; T128-V287 HydrophobicContact CG2-CG1 4.28Å; T128-I289 HydrophobicContact CG2-CG1 4.33Å; T128-L290 HydrophobicContact CG2-CD1 4.08Å; T128-L290 HydrophobicContact CG2-CG 4.17Å
129I98.9Very high98.5Very high1 Ų130 Ų301%0.00515%0.149CC..Hα-helixtrans-64.9-55172.2-68.2164.8000109.8V110 L121 E125 I126 K131 S132 T133 I155 L157 A163 M217 L290V110-I129 HydrophobicContact CG1-CD1 4.45Å; V110-I129 HydrophobicContact CG2-CD1 4.1Å; V110-I129 HydrophobicContact CG2-CG2 4.19Å; L121-I129 HydrophobicContact CD1-CD1 3.55Å; E125-I129 WeakPolarHBondContact O-CG1 3.44Å; E125-I129 PolarHBondContact O-N 3.14Å; I126-I129 PolarHBondContact O-N 3.08Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.87Å; I129-S132 WeakPolarHBondContact O-CA 3.4Å; I129-S132 WeakPolarHBondContact O-CB 3.38Å; I129-S132 PolarHBondContact O-N 2.71Å; I129-T133 PolarHBondContact O-N 3.48Å; I129-T133 PolarHBondContact O-OG1 2.9Å; I129-I155 HydrophobicContact CG2-CG2 3.96Å; I129-L157 HydrophobicContact CD1-CD1 4.28Å; I129-L157 HydrophobicContact CG1-CD1 4.48Å; I129-A163 HydrophobicContact CG2-CB 4.21Å; I129-M217 HydrophobicContact CG2-SD 4.22Å; I129-L290 HydrophobicContact CD1-CD2 4.35Å; I129-L290 HydrophobicContact CG1-CD1 3.85Å; I129-L290 HydrophobicContact CG1-CD2 4.22Å
130L98.9Very high98.3Very high0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-58.6-34.9-177.5-71.7171.4000113.1I126 S132 T133 L134 L210 S214 M217 F257 F280 I281I126-L130 HydrophobicContact CG2-CD1 3.46Å; I126-L130 VanDerWaalsContact CG2-CD1 3.46Å; I126-L130 HydrophobicContact CG2-CG 4.17Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 VanDerWaalsContact O-CG 3.27Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 3.15Å; L130-S132 PolarHBondContact O-N 3.29Å; L130-T133 PolarHBondContact O-N 3.27Å; L130-L134 VanDerWaalsContact O-CB 3.24Å; L130-L134 WeakPolarHBondContact O-CB 3.33Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.48Å; L130-L210 HydrophobicContact CD2-CD1 3.53Å; L130-L210 HydrophobicContact CD2-CD2 4.39Å; L130-L210 HydrophobicContact CD2-CG 3.86Å; L130-S214 WeakPolarHBondContact CD1-OG 3.29Å; L130-M217 HydrophobicContact CD1-CE 4.23Å; L130-M217 HydrophobicContact CD2-CE 3.76Å; L130-M217 HydrophobicContact CG-CE 3.86Å; L130-F257 HydrophobicContact CD1-CD1 4.46Å; L130-F257 HydrophobicContact CD1-CE1 3.73Å; L130-F257 HydrophobicContact CD1-CZ 4.19Å; L130-F280 HydrophobicContact CD1-CE1 4Å; L130-I281 HydrophobicContact CB-CD1 3.69Å; L130-I281 HydrophobicContact CD1-CD1 4.42Å
131K98.9Very high98.1Very high51 Ų5123.4 Ų23.422%0.22212%0.115CC..Hα-helixtrans-62.5-24.3174.1-171170.4-164154.10113.7A127 I129 K135 I281 S282 A284A127-K131 VanDerWaalsContact O-CB 3.23Å; A127-K131 WeakPolarHBondContact O-CB 3.29Å; A127-K131 PolarHBondContact O-N 2.93Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.87Å; K131-K135 WeakPolarHBondContact O-CD 3.49Å; K131-K135 WeakPolarHBondContact O-CE 3.45Å; K131-K135 WeakPolarHBondContact O-CG 3.46Å; K131-I281 HydrophobicContact CB-CG2 3.88Å; K131-I281 HydrophobicContact CD-CG2 4.47Å; K131-I281 VanDerWaalsContact CD-O 3.24Å; K131-I281 WeakPolarHBondContact CD-O 3.39Å; K131-I281 WeakPolarHBondContact CE-O 3.49Å; K131-I281 HydrophobicContact CG-CG2 3.89Å; K131-I281 PolarHBondContact NZ-O 2.95Å; K131-S282 PolarHBondContact NZ-O 2.86Å; K131-A284 HydrophobicContact CD-CB 3.86Å; K131-A284 PolarHBondContact NZ-O 2.29Å
132S98.6Very high97.9Very high9 Ų931.5 Ų31.56%0.06315%0.15CC..Hα-helixtrans-89.2-45.2173.9-58.30000110.4T128 I129 L130 L134 K135 G136T128-S132 PolarHBondContact O-OG 3.47Å; I129-S132 WeakPolarHBondContact O-CA 3.4Å; I129-S132 WeakPolarHBondContact O-CB 3.38Å; I129-S132 PolarHBondContact O-N 2.71Å; L130-S132 PolarHBondContact O-N 3.29Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact O-N 2.89Å; S132-K135 PolarHBondContact O-N 2.94Å; S132-K135 VanDerWaalsContact O-N 3.13Å; S132-G136 PolarHBondContact O-N 2.74Å; S132-G136 VanDerWaalsContact O-N 3.1Å
133T98.8Very high97.4Very high0 Ų031.7 Ų31.70%015%0.146CC..Hα-helixtrans-56.4-43.6174.9-47.70000112.4I129 L130 K135 G136 L137 I155 L165 L210I129-T133 PolarHBondContact O-N 3.48Å; I129-T133 PolarHBondContact O-OG1 2.9Å; L130-T133 PolarHBondContact O-N 3.27Å; T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 2.99Å; T133-G136 WeakPolarHBondContact O-CA 3.09Å; T133-G136 PolarHBondContact O-N 3.27Å; T133-G136 VanDerWaalsContact O-N 3.1Å; T133-L137 PolarHBondContact O-N 3.44Å; T133-I155 HydrophobicContact CG2-CD1 3.74Å; T133-I155 HydrophobicContact CG2-CG1 4.12Å; T133-L165 HydrophobicContact CG2-CD2 3.74Å; T133-L210 HydrophobicContact CG2-CD1 3.57Å
134L98.9Very high97Very high0 Ų040.4 Ų40.40%018%0.177CC..Hα-helixtrans-63.1-33.6177.5-81.9165.9000113.2L130 S132 L137 E138 I207 L210 F257 A272 L275 L276 I281L130-L134 VanDerWaalsContact O-CB 3.24Å; L130-L134 WeakPolarHBondContact O-CB 3.33Å; L130-L134 WeakPolarHBondContact O-CG 3.46Å; L130-L134 PolarHBondContact O-N 3.48Å; S132-L134 VanDerWaalsContact C-N 3.34Å; S132-L134 PolarHBondContact O-N 2.89Å; L134-L137 PolarHBondContact O-N 3.18Å; L134-E138 VanDerWaalsContact O-CB 3.3Å; L134-E138 WeakPolarHBondContact O-CB 3.11Å; L134-E138 PolarHBondContact O-N 3.06Å; L134-I207 HydrophobicContact CD2-CD1 4.39Å; L134-L210 HydrophobicContact CD2-CD2 3.45Å; L134-L210 VanDerWaalsContact CD2-CD2 3.45Å; L134-L210 HydrophobicContact CG-CD2 3.78Å; L134-F257 HydrophobicContact CD1-CE2 4.07Å; L134-F257 HydrophobicContact CD1-CZ 4.18Å; L134-A272 HydrophobicContact CD2-CB 4.23Å; L134-L275 HydrophobicContact CD1-CB 4.04Å; L134-L275 HydrophobicContact CD2-CB 3.79Å; L134-L275 HydrophobicContact CD2-CD1 4.14Å; L134-L276 HydrophobicContact CB-CD2 3.58Å; L134-L276 HydrophobicContact CB-CG 3.9Å; L134-L276 HydrophobicContact CD1-CD2 4.33Å; L134-I281 HydrophobicContact CD1-CB 4.44Å; L134-I281 HydrophobicContact CD1-CD1 3.94Å; L134-I281 HydrophobicContact CD1-CG1 3.75Å; L134-I281 HydrophobicContact CD1-CG2 3.95Å
135K98.8Very high96.4Very high67 Ų6738.4 Ų38.429%0.29117%0.166SC..Hα-helixtrans-73.4-31.6173.4-64.9172.9-173.3170.30112Y84 K131 S132 T133 Y139 L276Y84-K135 HydrophobicContact CD1-CB 4.19Å; Y84-K135 HydrophobicContact CD1-CD 4.41Å; Y84-K135 HydrophobicContact CD2-CB 3.53Å; Y84-K135 HydrophobicContact CD2-CD 4.35Å; Y84-K135 HydrophobicContact CE1-CB 4.26Å; Y84-K135 HydrophobicContact CE1-CD 3.71Å; Y84-K135 HydrophobicContact CE2-CB 3.62Å; Y84-K135 HydrophobicContact CE2-CD 3.65Å; Y84-K135 HydrophobicContact CE2-CG 4.29Å; Y84-K135 HydrophobicContact CG-CB 3.84Å; Y84-K135 VanDerWaalsContact OH-CD 3.29Å; Y84-K135 WeakPolarHBondContact OH-CD 3.32Å; Y84-K135 PolarHBondContact OH-NZ 3.09Å; K131-K135 WeakPolarHBondContact O-CD 3.49Å; K131-K135 WeakPolarHBondContact O-CE 3.45Å; K131-K135 WeakPolarHBondContact O-CG 3.46Å; S132-K135 PolarHBondContact O-N 2.94Å; S132-K135 VanDerWaalsContact O-N 3.13Å; T133-K135 VanDerWaalsContact C-N 3.32Å; T133-K135 PolarHBondContact O-N 2.99Å; K135-Y139 VanDerWaalsContact O-CB 3.31Å; K135-Y139 WeakPolarHBondContact O-CB 3.34Å; K135-Y139 PolarHBondContact O-N 3.22Å; K135-L276 HydrophobicContact CG-CD1 4.11Å; K135-L276 HydrophobicContact CG-CD2 3.88Å
136G97.9Very high95.8Very high0 Ų039.1 Ų39.10%017%0.169CC..Hα-helixtrans-60.5-50.2167.600000111.3S132 T133 Y139 L140S132-G136 PolarHBondContact O-N 2.74Å; S132-G136 VanDerWaalsContact O-N 3.1Å; T133-G136 WeakPolarHBondContact O-CA 3.09Å; T133-G136 PolarHBondContact O-N 3.27Å; T133-G136 VanDerWaalsContact O-N 3.1Å; G136-Y139 PolarHBondContact O-N 2.88Å; G136-L140 VanDerWaalsContact O-CG 3.3Å; G136-L140 WeakPolarHBondContact O-CG 3.32Å; G136-L140 PolarHBondContact O-N 2.96Å
137L97.6Very high95.4Very high0 Ų039.1 Ų39.10%017%0.169CC..Hα-helixtrans-63.8-45.5177.3-69.1179000112.4T133 L134 Y139 L140 H141 H147 I150 L165 D206 I207 L210 A272T133-L137 PolarHBondContact O-N 3.44Å; L134-L137 PolarHBondContact O-N 3.18Å; L137-Y139 VanDerWaalsContact C-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.37Å; L137-L140 PolarHBondContact O-N 3.23Å; L137-L140 VanDerWaalsContact O-N 3.15Å; L137-H141 WeakPolarHBondContact O-CB 3.45Å; L137-H141 PolarHBondContact O-CD2 2.88Å; L137-H141 VanDerWaalsContact O-CD2 3.31Å; L137-H141 PolarHBondContact O-N 2.83Å; L137-H147 HydrophobicContact CD2-CB 4.26Å; L137-I150 HydrophobicContact CD2-CD1 3.87Å; L137-I150 HydrophobicContact CD2-CG1 4.18Å; L137-L165 HydrophobicContact CD2-CD1 3.99Å; L137-L165 HydrophobicContact CG-CD1 4.23Å; L137-D206 HydrophobicContact CD1-CB 4.33Å; L137-D206 HydrophobicContact CD2-CB 3.77Å; L137-I207 HydrophobicContact CD1-CD1 4.05Å; L137-L210 HydrophobicContact CD1-CB 4.39Å; L137-L210 HydrophobicContact CD1-CD1 4.21Å; L137-L210 HydrophobicContact CD1-CD2 4.16Å; L137-A272 HydrophobicContact CB-CB 4.11Å
138E98.3Very high94.8Very high63 Ų6343.2 Ų43.229%0.29419%0.185SC..Hα-helixtrans-55.4-46.9175175.6171.4-108.400112L134 H141 F142 A272 T273 L276L134-E138 VanDerWaalsContact O-CB 3.3Å; L134-E138 WeakPolarHBondContact O-CB 3.11Å; L134-E138 PolarHBondContact O-N 3.06Å; E138-H141 PolarHBondContact O-N 2.82Å; E138-F142 VanDerWaalsContact O-CB 3.27Å; E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.3Å; E138-A272 HydrophobicContact CB-CB 3.91Å; E138-T273 VanDerWaalsContact OE1-CA 3.24Å; E138-T273 WeakPolarHBondContact OE1-CA 3.42Å; E138-T273 WeakPolarHBondContact OE1-CB 3.24Å; E138-T273 WeakPolarHBondContact OE1-CG2 3.16Å; E138-T273 PolarHBondContact OE1-OG1 3.4Å; E138-L276 HydrophobicContact CB-CD1 4.33Å; E138-L276 VanDerWaalsContact OE2-CD1 3.32Å; E138-L276 WeakPolarHBondContact OE2-CD1 3.37Å
139Y97Very high94.3Very high54 Ų5445.1 Ų45.121%0.21220%0.195CC..Hα-helixtrans-59.6-46.3175.2169.9-93.5000112.1C80 D81 V85 K135 G136 L137 M143C80-Y139 HydrophobicContact CB-CE1 4.17Å; D81-Y139 PolarHBondContact N-OH 2.84Å; D81-Y139 VanDerWaalsContact N-OH 3.09Å; V85-Y139 HydrophobicContact CG2-CD1 4.28Å; K135-Y139 VanDerWaalsContact O-CB 3.31Å; K135-Y139 WeakPolarHBondContact O-CB 3.34Å; K135-Y139 PolarHBondContact O-N 3.22Å; G136-Y139 PolarHBondContact O-N 2.88Å; L137-Y139 VanDerWaalsContact C-N 3.33Å; L137-Y139 PolarHBondContact O-N 3.37Å; Y139-M143 HydrophobicContact CE1-CG 4.29Å; Y139-M143 HydrophobicContact CE2-CG 4.16Å; Y139-M143 WeakPolarHBondContact O-CB 3.42Å; Y139-M143 VanDerWaalsContact O-CG 3.25Å; Y139-M143 WeakPolarHBondContact O-CG 3.03Å; Y139-M143 PolarHBondContact O-N 2.83Å
140L93.3Very high94.1Very high0 Ų045.1 Ų45.10%020%0.195CC..Hα-helixtrans-65.5-45.5179.5-69.3172.8000111.9G136 L137 F142 M143 R144 K145 H147 L165 F168G136-L140 VanDerWaalsContact O-CG 3.3Å; G136-L140 WeakPolarHBondContact O-CG 3.32Å; G136-L140 PolarHBondContact O-N 2.96Å; L137-L140 PolarHBondContact O-N 3.23Å; L137-L140 VanDerWaalsContact O-N 3.15Å; L140-F142 PolarHBondContact O-N 2.83Å; L140-M143 CarbonylContact O-C 3.52Å; L140-M143 VanDerWaalsContact O-C 3.3Å; L140-M143 WeakPolarHBondContact O-CA 3.34Å; L140-M143 WeakPolarHBondContact O-CB 3.17Å; L140-M143 PolarHBondContact O-N 3.11Å; L140-M143 VanDerWaalsContact O-N 3.09Å; L140-R144 PolarHBondContact O-N 3.09Å; L140-R144 VanDerWaalsContact O-N 3.1Å; L140-K145 CarbonylContact C-O 3.22Å; L140-K145 HydrophobicContact CB-CB 4.15Å; L140-K145 HydrophobicContact CD2-CB 4.05Å; L140-K145 HydrophobicContact CD2-CD 4Å; L140-K145 WeakPolarHBondContact O-CA 3.3Å; L140-K145 WeakPolarHBondContact O-CB 3.35Å; L140-K145 PolarHBondContact O-N 3.04Å; L140-H147 HydrophobicContact CD1-CB 4.39Å; L140-L165 HydrophobicContact CD1-CD1 3.57Å; L140-F168 HydrophobicContact CD1-CE1 3.63Å; L140-F168 HydrophobicContact CD1-CZ 4.08Å; L140-F168 HydrophobicContact CD2-CE1 3.58Å; L140-F168 HydrophobicContact CD2-CZ 3.84Å; L140-F168 HydrophobicContact CG-CE1 4.25Å
141H93.9Very high94Very high30 Ų3047.6 Ų47.614%0.13921%0.206CC..Hα-helixtrans-65.6-39.2-178.8-62.7176.6000111.2L137 E138 M143 R144 K145 C203 D206L137-H141 WeakPolarHBondContact O-CB 3.45Å; L137-H141 PolarHBondContact O-CD2 2.88Å; L137-H141 VanDerWaalsContact O-CD2 3.31Å; L137-H141 PolarHBondContact O-N 2.83Å; E138-H141 PolarHBondContact O-N 2.82Å; H141-M143 VanDerWaalsContact C-N 3.34Å; H141-R144 PolarHBondContact O-N 2.88Å; H141-K145 PolarHBondContact CD2-O 2.82Å; H141-C203 HydrophobicContact CB-CB 4.02Å; H141-C203 PolarHBondContact CE1-O 2.93Å; H141-C203 PolarHBondContact NE2-O 2.95Å; H141-C203 VanDerWaalsContact NE2-O 3.14Å; H141-D206 IonicContact CD2-OD2 3.78Å; H141-D206 IonicContact CE1-OD2 2.63Å; H141-D206 IonicContact NE2-OD2 3.5Å; H141-D206 PolarHBondContact NE2-OD2 2.89Å
142F93.8Very high93.9Very high172 Ų17245.1 Ų45.175%0.75420%0.195SC*.Hα-helixtrans-59.8-43.4169.9178.5-95.4000112E138 L140 R144E138-F142 VanDerWaalsContact O-CB 3.27Å; E138-F142 WeakPolarHBondContact O-CB 3.5Å; E138-F142 PolarHBondContact O-N 3.3Å; L140-F142 PolarHBondContact O-N 2.83Å; F142-R144 PolarHBondContact O-N 2.9Å; F142-R144 VanDerWaalsContact O-N 3.15Å
143M89.9Confident93.7Very high83 Ų8345.8 Ų45.841%0.40920%0.203SC..THydrogen-bonded Turntrans-73.88.2173.8-66.9-64.8-69.600114Y139 L140 H141 K145Y139-M143 HydrophobicContact CE1-CG 4.29Å; Y139-M143 HydrophobicContact CE2-CG 4.16Å; Y139-M143 WeakPolarHBondContact O-CB 3.42Å; Y139-M143 VanDerWaalsContact O-CG 3.25Å; Y139-M143 WeakPolarHBondContact O-CG 3.03Å; Y139-M143 PolarHBondContact O-N 2.83Å; L140-M143 CarbonylContact O-C 3.52Å; L140-M143 VanDerWaalsContact O-C 3.3Å; L140-M143 WeakPolarHBondContact O-CA 3.34Å; L140-M143 WeakPolarHBondContact O-CB 3.17Å; L140-M143 PolarHBondContact O-N 3.11Å; L140-M143 VanDerWaalsContact O-N 3.09Å; H141-M143 VanDerWaalsContact C-N 3.34Å; M143-K145 HydrophobicContact CB-CD 4.28Å; M143-K145 HydrophobicContact CB-CG 4.45Å; M143-K145 PolarHBondContact O-N 3.25Å
144R88.7Confident93.5Very high230 Ų23046.3 Ų46.387%0.86821%0.206SC*.THydrogen-bonded Turntrans56.826.3-176.6-55.4-177179.6-174.7-0.8114.5L140 H141 F142L140-R144 PolarHBondContact O-N 3.09Å; L140-R144 VanDerWaalsContact O-N 3.1Å; H141-R144 PolarHBondContact O-N 2.88Å; F142-R144 PolarHBondContact O-N 2.9Å; F142-R144 VanDerWaalsContact O-N 3.15Å
145K86.6Confident93.5Very high23 Ų2346.3 Ų46.310%0.121%0.206CC..  trans-95.7152.8172.2-67.1171.2176.2-176.10109.6I76 Q79 C80 L140 H141 M143I76-K145 HydrophobicContact CG2-CD 4.07Å; I76-K145 PolarHBondContact O-NZ 3.48Å; Q79-K145 VanDerWaalsContact C-NZ 3.32Å; Q79-K145 PolarHBondContact O-NZ 3.41Å; C80-K145 PolarHBondContact SG-NZ 3.26Å; L140-K145 CarbonylContact C-O 3.22Å; L140-K145 HydrophobicContact CB-CB 4.15Å; L140-K145 HydrophobicContact CD2-CB 4.05Å; L140-K145 HydrophobicContact CD2-CD 4Å; L140-K145 WeakPolarHBondContact O-CA 3.3Å; L140-K145 WeakPolarHBondContact O-CB 3.35Å; L140-K145 PolarHBondContact O-N 3.04Å; H141-K145 PolarHBondContact CD2-O 2.82Å; M143-K145 HydrophobicContact CB-CD 4.28Å; M143-K145 HydrophobicContact CB-CG 4.45Å; M143-K145 PolarHBondContact O-N 3.25Å
146I86.4Confident93.4Very high34 Ų3444.6 Ų44.617%0.17420%0.2CC..  trans-132.8131178.8-55.3174.8000105.9R148 Y201 D206I146-R148 HydrophobicContact CB-CG 4.48Å; I146-R148 HydrophobicContact CG2-CG 4.03Å; I146-Y201 HydrophobicContact CD1-CD2 3.75Å; I146-Y201 HydrophobicContact CD1-CE2 3.87Å; I146-D206 WeakPolarHBondContact CG2-OD1 3.45Å
147H89.9Confident93.4Very high0 Ų044.6 Ų44.60%020%0.2CC..  trans-80.3-33.2-171.4-163.3-76000113L137 L140 D149 I150 A166 D167 F168 G169 D206L137-H147 HydrophobicContact CD2-CB 4.26Å; L140-H147 HydrophobicContact CD1-CB 4.39Å; H147-D149 PolarHBondContact CE1-O 2.9Å; H147-D149 PolarHBondContact ND1-O 2.81Å; H147-D149 VanDerWaalsContact ND1-O 3.17Å; H147-D149 PolarHBondContact O-N 2.65Å; H147-I150 HydrophobicContact CB-CD1 3.82Å; H147-I150 HydrophobicContact CB-CG1 3.85Å; H147-I150 VanDerWaalsContact CG-CD1 3.44Å; H147-I150 WeakPolarHBondContact ND1-CD1 3.28Å; H147-A166 PolarHBondContact CE1-O 2.96Å; H147-A166 PolarHBondContact NE2-O 3.46Å; H147-D167 PolarHBondContact CE1-O 3.36Å; H147-F168 AromaticContact CD2-CD1 3.93Å; H147-F168 AromaticContact CD2-CE1 3.81Å; H147-G169 VanDerWaalsContact O-CA 3.25Å; H147-G169 WeakPolarHBondContact O-CA 3.28Å; H147-G169 PolarHBondContact O-N 2.9Å; H147-D206 PolarHBondContact N-OD1 3.39Å; H147-D206 VanDerWaalsContact N-OD1 3.12Å; H147-D206 PolarHBondContact N-OD2 2.94Å
148R87.3Confident93.3Very high87 Ų8745.6 Ų45.633%0.32821%0.205SC..  trans65.8-33.5175.2-45.8-178.1-168.2-140.3-4.9116.5I146 G169 A171 Y201 D206I146-R148 HydrophobicContact CB-CG 4.48Å; I146-R148 HydrophobicContact CG2-CG 4.03Å; R148-G169 WeakPolarHBondContact CD-O 3.37Å; R148-A171 PolarHBondContact NH1-O 3.13Å; R148-Y201 VanDerWaalsContact CZ-CE2 3.44Å; R148-Y201 VanDerWaalsContact NH1-CZ 3.35Å; R148-Y201 PolarHBondContact NH1-OH 2.68Å; R148-Y201 VanDerWaalsContact NH2-CE2 3.31Å; R148-Y201 PolarHBondContact NH2-OH 2.79Å; R148-D206 PolarHBondContact N-OD1 3.37Å
149D88.1Confident93.1Very high44 Ų4446.6 Ų46.624%0.23522%0.216CC..  trans-119.669.5-179.4-16825.3000110.5H147 K151 N154 G169H147-D149 PolarHBondContact CE1-O 2.9Å; H147-D149 PolarHBondContact ND1-O 2.81Å; H147-D149 VanDerWaalsContact ND1-O 3.17Å; H147-D149 PolarHBondContact O-N 2.65Å; D149-K151 WeakPolarHBondContact OD1-CD 3.46Å; D149-K151 WeakPolarHBondContact OD1-CE 3.39Å; D149-K151 IonicContact OD1-NZ 2.77Å; D149-K151 PolarHBondContact OD1-NZ 3.38Å; D149-K151 VanDerWaalsContact OD2-CE 3.3Å; D149-K151 WeakPolarHBondContact OD2-CE 3.23Å; D149-K151 IonicContact OD2-NZ 2.72Å; D149-K151 PolarHBondContact OD2-NZ 2.97Å; D149-N154 VanDerWaalsContact CG-ND2 3.35Å; D149-N154 PolarHBondContact O-ND2 3.48Å; D149-N154 VanDerWaalsContact O-ND2 3.12Å; D149-N154 PolarHBondContact OD2-ND2 3.4Å; D149-G169 VanDerWaalsContact CB-CA 3.4Å
150I94.9Very high93Very high0 Ų049.2 Ų49.20%023%0.23CC..  trans-96112.9175.1-67.4-70.5000109L137 H147 L165 W190 D206 L210 T213L137-I150 HydrophobicContact CD2-CD1 3.87Å; L137-I150 HydrophobicContact CD2-CG1 4.18Å; H147-I150 HydrophobicContact CB-CD1 3.82Å; H147-I150 HydrophobicContact CB-CG1 3.85Å; H147-I150 VanDerWaalsContact CG-CD1 3.44Å; H147-I150 WeakPolarHBondContact ND1-CD1 3.28Å; I150-L165 HydrophobicContact CD1-CD2 3.47Å; I150-L165 VanDerWaalsContact CD1-CD2 3.47Å; I150-W190 VanDerWaalsContact O-CD1 3.23Å; I150-D206 HydrophobicContact CG1-CB 4.24Å; I150-L210 HydrophobicContact CG2-CB 4.28Å; I150-L210 HydrophobicContact CG2-CD1 4.27Å; I150-T213 PolarHBondContact O-OG1 3.14Å
151K95.8Very high93.1Very high52 Ų5249.2 Ų49.223%0.22623%0.23CC..SBendtrans-154.6164.1179.660.4-167.7172.2-149.90109.5D149 G153 N154 W190 T213D149-K151 WeakPolarHBondContact OD1-CD 3.46Å; D149-K151 WeakPolarHBondContact OD1-CE 3.39Å; D149-K151 IonicContact OD1-NZ 2.77Å; D149-K151 PolarHBondContact OD1-NZ 3.38Å; D149-K151 VanDerWaalsContact OD2-CE 3.3Å; D149-K151 WeakPolarHBondContact OD2-CE 3.23Å; D149-K151 IonicContact OD2-NZ 2.72Å; D149-K151 PolarHBondContact OD2-NZ 2.97Å; K151-G153 PolarHBondContact O-N 2.75Å; K151-G153 VanDerWaalsContact O-N 3.11Å; K151-N154 WeakPolarHBondContact CE-OD1 3.29Å; K151-N154 HydrophobicContact CG-CB 4.26Å; K151-N154 PolarHBondContact O-N 2.78Å; K151-W190 HydrophobicContact CB-CD2 3.89Å; K151-W190 VanDerWaalsContact CB-CE2 3.5Å; K151-W190 HydrophobicContact CB-CG 4.08Å; K151-W190 HydrophobicContact CB-CZ2 3.92Å; K151-T213 WeakPolarHBondContact CA-OG1 3.33Å
152A97.3Very high93.2Very high0 Ų051.6 Ų51.60%024%0.241CC..THydrogen-bonded Turntrans-64.6-18.7-177.700000113.3V110 S111 T213 E216 M217V110-A152 HydrophobicContact CB-CB 4.14Å; V110-A152 HydrophobicContact CG1-CB 4.22Å; V110-A152 PolarHBondContact N-O 2.87Å; V110-A152 VanDerWaalsContact N-O 3.14Å; S111-A152 PolarHBondContact N-O 3.46Å; A152-T213 HydrophobicContact CB-CG2 4.11Å; A152-E216 HydrophobicContact CB-CG 4.07Å; A152-E216 WeakPolarHBondContact CB-OE1 3.46Å; A152-E216 PolarHBondContact N-OE1 3.42Å; A152-E216 PolarHBondContact N-OE2 2.96Å; A152-M217 HydrophobicContact CB-CG 4.3Å
153G94.1Very high93.5Very high23 Ų2343.5 Ų43.524%0.23721%0.205CC..THydrogen-bonded Turntrans-69.2-28.9170.700000114.6S109 K151S109-G153 WeakPolarHBondContact CB-O 3.47Å; K151-G153 PolarHBondContact O-N 2.75Å; K151-G153 VanDerWaalsContact O-N 3.11Å
154N94.9Very high93.9Very high10 Ų1039.9 Ų39.95%0.05319%0.187CC..SBendtrans-102.37.2-175.1-66.130.7000112.4D149 K151 A166 D167D149-N154 VanDerWaalsContact CG-ND2 3.35Å; D149-N154 PolarHBondContact O-ND2 3.48Å; D149-N154 VanDerWaalsContact O-ND2 3.12Å; D149-N154 PolarHBondContact OD2-ND2 3.4Å; K151-N154 WeakPolarHBondContact CE-OD1 3.29Å; K151-N154 HydrophobicContact CG-CB 4.26Å; K151-N154 PolarHBondContact O-N 2.78Å; N154-A166 WeakPolarHBondContact CB-O 3.47Å; N154-A166 PolarHBondContact O-N 3.49Å; N154-D167 PolarHBondContact ND2-O 3.22Å; N154-D167 VanDerWaalsContact ND2-O 3.17Å
155I98.1Very high94.2Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-105.8105.5170-58.6171.3000106.6S109 V110 I129 T133 A163 K164 L165 T213S109-I155 WeakPolarHBondContact CA-O 3.42Å; V110-I155 HydrophobicContact CG2-CB 4.22Å; V110-I155 HydrophobicContact CG2-CG2 3.94Å; V110-I155 PolarHBondContact N-O 2.71Å; I129-I155 HydrophobicContact CG2-CG2 3.96Å; T133-I155 HydrophobicContact CG2-CD1 3.74Å; T133-I155 HydrophobicContact CG2-CG1 4.12Å; I155-A163 HydrophobicContact CG2-CB 4.07Å; I155-K164 WeakPolarHBondContact CA-O 3.46Å; I155-L165 HydrophobicContact CG1-CD2 4.45Å; I155-T213 HydrophobicContact CD1-CG2 3.81Å
156L97.8Very high94.5Very high31 Ų3128 Ų2816%0.16214%0.143CC..EExtended strand (participates in β ladder)trans-97.1148.2-179.3-50.8-172.2000111.3V86 C105 G108 A163 K164 A166V86-L156 HydrophobicContact CG2-CD1 4.12Å; C105-L156 HydrophobicContact CB-CB 3.52Å; C105-L156 HydrophobicContact CB-CD1 4Å; C105-L156 HydrophobicContact CB-CG 4.42Å; G108-L156 WeakPolarHBondContact O-CA 3.47Å; L156-A163 CarbonylContact O-C 3.45Å; L156-A163 VanDerWaalsContact O-CA 3.29Å; L156-A163 WeakPolarHBondContact O-CA 3.27Å; L156-K164 PolarHBondContact N-O 3.49Å; L156-K164 PolarHBondContact O-N 3.31Å; L156-A166 HydrophobicContact CD1-CB 3.62Å; L156-A166 HydrophobicContact CG-CB 3.66Å
157L98.1Very high94.2Very high1 Ų129 Ų291%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-113.1131175.4-82.5163000110.6C105 A107 G108 V110 I113 I129 A163 L290 L293 I294C105-L157 CarbonylContact C-O 3.59Å; C105-L157 VanDerWaalsContact C-O 3.22Å; A107-L157 HydrophobicContact CB-CB 3.91Å; A107-L157 WeakPolarHBondContact CB-O 3.41Å; A107-L157 PolarHBondContact N-O 2.69Å; G108-L157 PolarHBondContact O-N 3.28Å; V110-L157 HydrophobicContact CG2-CD1 4.01Å; V110-L157 HydrophobicContact CG2-CG 4.49Å; I113-L157 HydrophobicContact CD1-CB 4.27Å; I113-L157 HydrophobicContact CD1-CD1 3.6Å; I129-L157 HydrophobicContact CD1-CD1 4.28Å; I129-L157 HydrophobicContact CG1-CD1 4.48Å; L157-A163 HydrophobicContact CD2-CB 3.8Å; L157-A163 HydrophobicContact CG-CB 4.39Å; L157-L290 HydrophobicContact CD2-CD1 3.95Å; L157-L293 HydrophobicContact CD1-CD2 4.47Å; L157-I294 HydrophobicContact CB-CD1 4.5Å
158N95.3Very high93.5Very high21 Ų2129.3 Ų29.311%0.11215%0.15CC..  trans-79.1170165.688.3-18.3000110.9E160 G161 H162N158-E160 PolarHBondContact ND2-OE2 3.01Å; N158-E160 PolarHBondContact O-N 3.39Å; N158-E160 WeakPolarHBondContact OD1-CB 3.26Å; N158-E160 PolarHBondContact OD1-N 2.91Å; N158-G161 PolarHBondContact O-N 3.22Å; N158-G161 VanDerWaalsContact O-N 3.13Å; N158-G161 PolarHBondContact OD1-N 3.11Å; N158-H162 PolarHBondContact N-O 2.67Å; N158-H162 WeakPolarHBondContact OD1-CB 3.34Å; N158-H162 PolarHBondContact OD1-N 3.4Å
159T93.9Very high92.3Very high83 Ų8325.6 Ų25.651%0.50914%0.139SC..THydrogen-bonded Turntrans-63.3-11.8-178.950.60000114.6M298T159-M298 HydrophobicContact CG2-SD 3.91Å
160E94.1Very high90.6Very high110 Ų11024.6 Ų24.651%0.51413%0.134SC..THydrogen-bonded Turntrans-94.8-11179.6-55.3170.2129.100112.9N158 H162N158-E160 PolarHBondContact ND2-OE2 3.01Å; N158-E160 PolarHBondContact O-N 3.39Å; N158-E160 WeakPolarHBondContact OD1-CB 3.26Å; N158-E160 PolarHBondContact OD1-N 2.91Å; E160-H162 IonicContact OE2-CD2 2.67Å; E160-H162 PolarHBondContact OE2-CD2 3.27Å
161G95.6Very high88Confident0 Ų025.3 Ų25.30%014%0.14CC..SBendtrans94.713.5-174.300000115.1N158 V287N158-G161 PolarHBondContact O-N 3.22Å; N158-G161 VanDerWaalsContact O-N 3.13Å; N158-G161 PolarHBondContact OD1-N 3.11Å; G161-V287 WeakPolarHBondContact O-CG1 3.27Å
162H97.6Very high85.4Confident80 Ų8023.2 Ų23.237%0.3713%0.133SC..  trans-86113.6175.7-65.3-55.6000111.1N158 E160N158-H162 PolarHBondContact N-O 2.67Å; N158-H162 WeakPolarHBondContact OD1-CB 3.34Å; N158-H162 PolarHBondContact OD1-N 3.4Å; E160-H162 IonicContact OE2-CD2 2.67Å; E160-H162 PolarHBondContact OE2-CD2 3.27Å
163A98.4Very high82.8Confident1 Ų126.8 Ų26.81%0.00815%0.15CC..EExtended strand (participates in β ladder)trans-81.7139.8177.300000111.8I129 I155 L156 L157I129-A163 HydrophobicContact CG2-CB 4.21Å; I155-A163 HydrophobicContact CG2-CB 4.07Å; L156-A163 CarbonylContact O-C 3.45Å; L156-A163 VanDerWaalsContact O-CA 3.29Å; L156-A163 WeakPolarHBondContact O-CA 3.27Å; L157-A163 HydrophobicContact CD2-CB 3.8Å; L157-A163 HydrophobicContact CG-CB 4.39Å
164K98.2Very high80.2Confident7 Ų729.3 Ų29.33%0.0316%0.158CC..EExtended strand (participates in β ladder)trans-136.3142.4-173.4-72.9161.7173.2-70.80111.3P83 Y84 V86 E103 I155 L156P83-K164 WeakPolarHBondContact O-CG 3.42Å; P83-K164 PolarHBondContact O-NZ 3.08Å; Y84-K164 WeakPolarHBondContact O-CA 3.39Å; V86-K164 HydrophobicContact CG2-CB 3.86Å; V86-K164 HydrophobicContact CG2-CD 4.43Å; E103-K164 VanDerWaalsContact CD-CE 3.41Å; E103-K164 WeakPolarHBondContact OE1-CE 3.47Å; E103-K164 IonicContact OE1-NZ 2.63Å; E103-K164 PolarHBondContact OE1-NZ 3.02Å; E103-K164 WeakPolarHBondContact OE2-CE 3.14Å; E103-K164 IonicContact OE2-NZ 2.73Å; E103-K164 PolarHBondContact OE2-NZ 3.41Å; I155-K164 WeakPolarHBondContact CA-O 3.46Å; L156-K164 PolarHBondContact N-O 3.49Å; L156-K164 PolarHBondContact O-N 3.31Å
165L96.3Very high77.6Confident0 Ų033.9 Ų33.90%019%0.186CC..EExtended strand (participates in β ladder)trans-76.4131.5168.8-66.7178.5000110.8Y84 V86 T133 L137 L140 I150 I155Y84-L165 PolarHBondContact O-N 3.01Å; V86-L165 PolarHBondContact N-O 3.28Å; T133-L165 HydrophobicContact CG2-CD2 3.74Å; L137-L165 HydrophobicContact CD2-CD1 3.99Å; L137-L165 HydrophobicContact CG-CD1 4.23Å; L140-L165 HydrophobicContact CD1-CD1 3.57Å; I150-L165 HydrophobicContact CD1-CD2 3.47Å; I150-L165 VanDerWaalsContact CD1-CD2 3.47Å; I155-L165 HydrophobicContact CG1-CD2 4.45Å
166A91.6Very high74.9Confident4 Ų437.5 Ų37.53%0.03321%0.206CC..  trans-134.4167.8179.300000110.9V86 H147 N154 L156V86-A166 HydrophobicContact CB-CB 4.37Å; V86-A166 HydrophobicContact CG2-CB 3.71Å; H147-A166 PolarHBondContact CE1-O 2.96Å; H147-A166 PolarHBondContact NE2-O 3.46Å; N154-A166 WeakPolarHBondContact CB-O 3.47Å; N154-A166 PolarHBondContact O-N 3.49Å; L156-A166 HydrophobicContact CD1-CB 3.62Å; L156-A166 HydrophobicContact CG-CB 3.66Å
167D81.3Confident72.1Confident55 Ų5538 Ų3829%0.29421%0.21SC..SBendtrans48.584.8178.4-65.6-57.9000112.8K59 E73 H147 N154 G169K59-D167 IonicContact NZ-OD1 3.62Å; K59-D167 PolarHBondContact NZ-OD1 3.45Å; E73-D167 WeakPolarHBondContact OE1-CA 3.24Å; H147-D167 PolarHBondContact CE1-O 3.36Å; N154-D167 PolarHBondContact ND2-O 3.22Å; N154-D167 VanDerWaalsContact ND2-O 3.17Å; D167-G169 PolarHBondContact O-N 2.96Å
168F74.2Confident69.2Low6 Ų644.5 Ų44.53%0.02624%0.242CC..  trans-73.499.4-174.2-84.8-91000110E73 I76 M77 V85 L140 H147 V170E73-F168 HydrophobicContact CG-CB 3.87Å; E73-F168 PolarHBondContact OE1-N 3.29Å; I76-F168 HydrophobicContact CG2-CB 4.44Å; I76-F168 HydrophobicContact CG2-CD1 3.67Å; I76-F168 HydrophobicContact CG2-CE1 4.01Å; I76-F168 HydrophobicContact CG2-CG 3.97Å; M77-F168 HydrophobicContact CG-CD2 3.56Å; M77-F168 HydrophobicContact CG-CE2 3.94Å; M77-F168 HydrophobicContact SD-CD2 4.49Å; V85-F168 HydrophobicContact CG1-CE2 3.7Å; V85-F168 HydrophobicContact CG1-CZ 3.66Å; L140-F168 HydrophobicContact CD1-CE1 3.63Å; L140-F168 HydrophobicContact CD1-CZ 4.08Å; L140-F168 HydrophobicContact CD2-CE1 3.58Å; L140-F168 HydrophobicContact CD2-CZ 3.84Å; L140-F168 HydrophobicContact CG-CE1 4.25Å; H147-F168 AromaticContact CD2-CD1 3.93Å; H147-F168 AromaticContact CD2-CE1 3.81Å; F168-V170 PolarHBondContact O-N 3.39Å; F168-V170 VanDerWaalsContact O-N 3.16Å
169G63.4Low66.5Low9 Ų947.2 Ų47.29%0.09327%0.268CS..  trans-35.6115-176.400000113.2H147 R148 D149 D167 A171H147-G169 VanDerWaalsContact O-CA 3.25Å; H147-G169 WeakPolarHBondContact O-CA 3.28Å; H147-G169 PolarHBondContact O-N 2.9Å; R148-G169 WeakPolarHBondContact CD-O 3.37Å; D149-G169 VanDerWaalsContact CB-CA 3.4Å; D167-G169 PolarHBondContact O-N 2.96Å; G169-A171 PolarHBondContact O-N 3.2Å; G169-A171 VanDerWaalsContact O-N 3.17Å
170V51.6Low64.1Low24 Ų2447.7 Ų47.715%0.14526%0.263CS..  trans-55.8120-159-177.10000111.5Y41 E69 F168 G172 Q173Y41-V170 HydrophobicContact CE1-CG2 4.07Å; E69-V170 HydrophobicContact CB-CG1 3.53Å; E69-V170 HydrophobicContact CG-CG1 3.82Å; E69-V170 VanDerWaalsContact OE1-CG1 3.22Å; E69-V170 WeakPolarHBondContact OE1-CG1 3.23Å; E69-V170 WeakPolarHBondContact OE2-CG1 3.27Å; F168-V170 PolarHBondContact O-N 3.39Å; F168-V170 VanDerWaalsContact O-N 3.16Å; V170-G172 PolarHBondContact O-N 3.07Å; V170-Q173 HydrophobicContact CB-CG 4.09Å; V170-Q173 HydrophobicContact CG1-CG 4.16Å
171A40.3Very low61.4Low14 Ų1453.4 Ų53.412%0.11628%0.279CS..SBendtrans-79.929.9-161.700000114.9K72 I76 R148 G169K72-A171 HydrophobicContact CD-CB 4.04Å; K72-A171 PolarHBondContact NZ-O 3.44Å; I76-A171 HydrophobicContact CD1-CB 4.39Å; R148-A171 PolarHBondContact NH1-O 3.13Å; G169-A171 PolarHBondContact O-N 3.2Å; G169-A171 VanDerWaalsContact O-N 3.17Å
172G40.3Very low58.6Low9 Ų961.2 Ų61.29%0.09332%0.321CS..SBendtrans-139.4-43.7-177.100000113.9E69 V170 L174 T175E69-G172 WeakPolarHBondContact OE1-CA 3.41Å; V170-G172 PolarHBondContact O-N 3.07Å; G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 2.78Å; G172-T175 PolarHBondContact O-N 2.88Å; G172-T175 PolarHBondContact O-OG1 3.5Å
173Q43.3Very low55.9Low75 Ų7560.7 Ų60.735%0.3532%0.324SS..Hα-helixtrans-37.4-38.8-166.5-65.5-167.8-19.600119.2Y41 E69 V170 T175 D176 T177Y41-Q173 PolarHBondContact OH-NE2 3.09Å; E69-Q173 PolarHBondContact OE1-N 3.43Å; V170-Q173 HydrophobicContact CB-CG 4.09Å; V170-Q173 HydrophobicContact CG1-CG 4.16Å; Q173-T175 VanDerWaalsContact C-N 3.32Å; Q173-T175 PolarHBondContact O-N 2.82Å; Q173-D176 PolarHBondContact O-N 2.82Å; Q173-T177 VanDerWaalsContact O-CB 3.25Å; Q173-T177 WeakPolarHBondContact O-CB 3.05Å; Q173-T177 PolarHBondContact O-N 3.24Å; Q173-T177 PolarHBondContact O-OG1 3.44Å
174L40.7Very low53.1Low75 Ų7566.8 Ų66.839%0.39336%0.36SS..Hα-helixtrans-59.4-37.6175.5-86.2157.5000113.5G172 M191 V195G172-L174 VanDerWaalsContact C-N 3.29Å; G172-L174 PolarHBondContact O-N 2.78Å; L174-M191 HydrophobicContact CD1-CE 4.4Å; L174-M191 HydrophobicContact CD2-CE 4.1Å; L174-V195 HydrophobicContact CD1-CG1 3.51Å
175T40.2Very low51Low106 Ų10670 Ų7065%0.6538%0.377SS*.Hα-helixtrans-76.4-38.917743.40000112.3G172 Q173G172-T175 PolarHBondContact O-N 2.88Å; G172-T175 PolarHBondContact O-OG1 3.5Å; Q173-T175 VanDerWaalsContact C-N 3.32Å; Q173-T175 PolarHBondContact O-N 2.82Å
176D40Very low49.1Very low77 Ų7772 Ų7241%0.41240%0.398SS..Hα-helixtrans-86-19.8-172.3-63-80.4000113.6Q173 M178 A179 K180Q173-D176 PolarHBondContact O-N 2.82Å; D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 3.5Å; D176-A179 WeakPolarHBondContact O-CB 3.37Å; D176-A179 PolarHBondContact O-N 3.34Å; D176-A179 VanDerWaalsContact O-N 3.11Å; D176-K180 PolarHBondContact O-N 3.14Å
177T40.7Very low48.1Very low42 Ų4276 Ų7626%0.25842%0.422SS..THydrogen-bonded Turntrans-60.9-33.5172.4-62.10000111.9Q173 A179 K180 I185Q173-T177 VanDerWaalsContact O-CB 3.25Å; Q173-T177 WeakPolarHBondContact O-CB 3.05Å; Q173-T177 PolarHBondContact O-N 3.24Å; Q173-T177 PolarHBondContact O-OG1 3.44Å; T177-A179 VanDerWaalsContact C-N 3.32Å; T177-A179 PolarHBondContact O-N 2.86Å; T177-K180 CarbonylContact O-C 3.6Å; T177-K180 PolarHBondContact O-N 3.29Å; T177-I185 HydrophobicContact CG2-CG1 4.23Å
178M37Very low48.4Very low136 Ų13673.4 Ų73.467%0.6741%0.408SS*.THydrogen-bonded Turntrans-68.8-29.5175.5-67.1-15584.500113.2D176D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 3.5Å
179A38.8Very low49.3Very low79 Ų7974 Ų7465%0.65341%0.411SS*.THydrogen-bonded Turntrans-74.6-45173.200000110.9D176 T177 R181D176-A179 WeakPolarHBondContact O-CB 3.37Å; D176-A179 PolarHBondContact O-N 3.34Å; D176-A179 VanDerWaalsContact O-N 3.11Å; T177-A179 VanDerWaalsContact C-N 3.32Å; T177-A179 PolarHBondContact O-N 2.86Å; A179-R181 PolarHBondContact O-N 2.95Å
180K41.6Very low50.9Low93 Ų9375.2 Ų75.240%0.40441%0.413SS..SBendtrans-79.864.4177.3-61.4-173.9-175.1-1740111.6D66 D176 T177 N182 T183D66-K180 IonicContact OD1-NZ 2.77Å; D66-K180 PolarHBondContact OD1-NZ 3.47Å; D66-K180 IonicContact OD2-NZ 3.21Å; D66-K180 PolarHBondContact OD2-NZ 3.23Å; D176-K180 PolarHBondContact O-N 3.14Å; T177-K180 CarbonylContact O-C 3.6Å; T177-K180 PolarHBondContact O-N 3.29Å; K180-N182 PolarHBondContact O-N 2.96Å; K180-T183 HydrophobicContact CB-CG2 3.83Å; K180-T183 PolarHBondContact O-N 2.61Å; K180-T183 PolarHBondContact O-OG1 2.91Å
181R38.8Very low52.8Low229 Ų22975.9 Ų75.986%0.86442%0.415SS*.THydrogen-bonded Turntrans-38.6-4.8-171.6-98.3-173.7-176.4170.73.8121.4A179A179-R181 PolarHBondContact O-N 2.95Å
182N36.6Very low55.3Low164 Ų16475.2 Ų75.288%0.87741%0.41SS*.THydrogen-bonded Turntrans-136.68.8176.7-79.3-53.3000113.6K180K180-N182 PolarHBondContact O-N 2.96Å
183T41Very low57.8Low70 Ų7075 Ų7543%0.42941%0.406SS..PPolyproline II helixtrans-71.3136.5177.844.40000110.8K180 I185K180-T183 HydrophobicContact CB-CG2 3.83Å; K180-T183 PolarHBondContact O-N 2.61Å; K180-T183 PolarHBondContact O-OG1 2.91Å; T183-I185 PolarHBondContact O-N 3.41Å
184V40.2Very low60.1Low128 Ų12872 Ų7278%0.77639%0.392SS*.PPolyproline II helixtrans-66.9118.1178.1176.30000108.2G186V184-G186 PolarHBondContact O-N 3.33Å; V184-G186 VanDerWaalsContact O-N 3.16Å
185I52.3Low62.3Low75 Ų7569.4 Ų69.439%0.38538%0.379SS..PPolyproline II helixtrans-53.4123173.7-58.7169.6000108.2T177 T183 I233T177-I185 HydrophobicContact CG2-CG1 4.23Å; T183-I185 PolarHBondContact O-N 3.41Å; I185-I233 HydrophobicContact CB-CD1 3.9Å; I185-I233 HydrophobicContact CD1-CD1 3.67Å; I185-I233 HydrophobicContact CG1-CD1 4.39Å; I185-I233 HydrophobicContact CG2-CD1 3.68Å
186G57.9Low64.4Low43 Ų4365.7 Ų65.744%0.44336%0.355SS..PPolyproline II helixtrans-53.9152.6-172.500000113.5V184 P188V184-G186 PolarHBondContact O-N 3.33Å; V184-G186 VanDerWaalsContact O-N 3.16Å; G186-P188 WeakPolarHBondContact O-CA 3.41Å; G186-P188 WeakPolarHBondContact O-CD 3.33Å
187T70.1Confident66.4Low88 Ų8867 Ų6754%0.5436%0.359SS..  trans-50.3100.8-165.4-46.90000113F189 W190T187-F189 VanDerWaalsContact C-N 3.28Å; T187-F189 HydrophobicContact CG2-CD2 3.45Å; T187-F189 VanDerWaalsContact CG2-CD2 3.45Å; T187-F189 HydrophobicContact CG2-CE2 3.44Å; T187-F189 VanDerWaalsContact CG2-CE2 3.44Å; T187-F189 HydrophobicContact CG2-CG 4.41Å; T187-F189 HydrophobicContact CG2-CZ 4.39Å; T187-F189 PolarHBondContact O-N 3.37Å; T187-F189 VanDerWaalsContact O-N 3.15Å; T187-W190 HydrophobicContact CG2-CZ3 3.7Å
188P87.1Confident68Low0 Ų071.2 Ų71.20%038%0.376CS..G310 helixtrans-85.20.5-153.732.6-38000114G186 W190 M191 P229 A232 I233 I236G186-P188 WeakPolarHBondContact O-CA 3.41Å; G186-P188 WeakPolarHBondContact O-CD 3.33Å; P188-W190 PolarHBondContact O-N 3.32Å; P188-M191 HydrophobicContact CB-CG 4.5Å; P188-M191 HydrophobicContact CB-SD 3.77Å; P188-M191 WeakPolarHBondContact O-CB 3.32Å; P188-M191 PolarHBondContact O-N 3.29Å; P188-P229 HydrophobicContact CG-CB 4.06Å; P188-A232 HydrophobicContact CG-CB 4.2Å; P188-I233 HydrophobicContact CB-CG1 3.88Å; P188-I233 HydrophobicContact CG-CG1 3.92Å; P188-I236 VanDerWaalsContact O-CD1 3.3Å; P188-I236 WeakPolarHBondContact O-CD1 3.33Å
189F94.3Very high69.3Low17 Ų1770.8 Ų70.88%0.07538%0.375CS..G310 helixtrans-63.9-27.7-167.4-49.1-48.9000113.6T187 P222 Y224 I227 P229 A232T187-F189 VanDerWaalsContact C-N 3.28Å; T187-F189 HydrophobicContact CG2-CD2 3.45Å; T187-F189 VanDerWaalsContact CG2-CD2 3.45Å; T187-F189 HydrophobicContact CG2-CE2 3.44Å; T187-F189 VanDerWaalsContact CG2-CE2 3.44Å; T187-F189 HydrophobicContact CG2-CG 4.41Å; T187-F189 HydrophobicContact CG2-CZ 4.39Å; T187-F189 PolarHBondContact O-N 3.37Å; T187-F189 VanDerWaalsContact O-N 3.15Å; F189-P222 HydrophobicContact CB-CB 4.09Å; F189-P222 HydrophobicContact CB-CG 3.84Å; F189-P222 HydrophobicContact CD2-CG 4.15Å; F189-P222 HydrophobicContact CG-CG 4.33Å; F189-Y224 VanDerWaalsContact CE1-O 3.26Å; F189-Y224 WeakPolarHBondContact CE1-O 3.42Å; F189-I227 WeakPolarHBondContact CZ-O 3.33Å; F189-P229 HydrophobicContact CZ-CG 4.38Å; F189-A232 HydrophobicContact CD1-CB 3.82Å; F189-A232 HydrophobicContact CE1-CB 3.67Å
190W95.3Very high70.4Confident35 Ų3569.1 Ų69.113%0.13337%0.366CS..G310 helixtrans-92.6-7.3175.3-58-100.4000113.9I150 K151 T187 P188 S209 I212 E216 P222I150-W190 VanDerWaalsContact O-CD1 3.23Å; K151-W190 HydrophobicContact CB-CD2 3.89Å; K151-W190 VanDerWaalsContact CB-CE2 3.5Å; K151-W190 HydrophobicContact CB-CG 4.08Å; K151-W190 HydrophobicContact CB-CZ2 3.92Å; T187-W190 HydrophobicContact CG2-CZ3 3.7Å; P188-W190 PolarHBondContact O-N 3.32Å; W190-S209 WeakPolarHBondContact O-CA 3.32Å; W190-S209 WeakPolarHBondContact O-CB 3.41Å; W190-S209 PolarHBondContact O-OG 3.15Å; W190-I212 HydrophobicContact CB-CG2 4.36Å; W190-I212 VanDerWaalsContact CD1-CG2 3.45Å; W190-I212 HydrophobicContact CG-CB 4.41Å; W190-I212 HydrophobicContact CG-CG2 3.85Å; W190-E216 WeakPolarHBondContact CZ2-OE1 3.48Å; W190-E216 PolarHBondContact NE1-OE2 3.49Å; W190-P222 HydrophobicContact CH2-CG 3.89Å; W190-P222 HydrophobicContact CZ2-CB 4.24Å; W190-P222 HydrophobicContact CZ2-CG 3.61Å; W190-P222 HydrophobicContact CZ3-CG 4.48Å
191M92.2Very high71.7Confident38 Ų3869.9 Ų69.919%0.18737%0.367CS..  trans-71.5140.9-176.9-64.8174.67100111.4L174 P188 V195 I196 W208L174-M191 HydrophobicContact CD1-CE 4.4Å; L174-M191 HydrophobicContact CD2-CE 4.1Å; P188-M191 HydrophobicContact CB-CG 4.5Å; P188-M191 HydrophobicContact CB-SD 3.77Å; P188-M191 WeakPolarHBondContact O-CB 3.32Å; P188-M191 PolarHBondContact O-N 3.29Å; M191-V195 HydrophobicContact CE-CG1 3.8Å; M191-I196 HydrophobicContact CB-CD1 3.95Å; M191-I196 HydrophobicContact CB-CG1 3.77Å; M191-I196 HydrophobicContact CE-CG1 3.96Å; M191-I196 HydrophobicContact SD-CG1 4.34Å; M191-W208 PolarHBondContact O-NE1 2.94Å
192A92.8Very high73.6Confident1 Ų161.8 Ų61.81%0.00834%0.341CS..  trans-77.2151.8176.100000112E194 V195 I196 A205 W208A192-E194 VanDerWaalsContact C-N 3.32Å; A192-E194 WeakPolarHBondContact CB-OE1 3.4Å; A192-E194 WeakPolarHBondContact CB-OE2 3.38Å; A192-E194 PolarHBondContact O-N 2.99Å; A192-V195 HydrophobicContact CB-CG2 3.97Å; A192-V195 WeakPolarHBondContact O-CB 3.46Å; A192-V195 PolarHBondContact O-N 3.27Å; A192-I196 PolarHBondContact O-N 2.9Å; A192-I196 VanDerWaalsContact O-N 3.15Å; A192-A205 HydrophobicContact CB-CB 4.36Å; A192-W208 VanDerWaalsContact CA-CD1 3.44Å; A192-W208 HydrophobicContact CB-CB 3.71Å; A192-W208 HydrophobicContact CB-CD2 4.41Å; A192-W208 HydrophobicContact CB-CG 3.73Å
193P93.1Very high76Confident3 Ų355.7 Ų55.72%0.01931%0.31CS..Hα-helixtrans-52.2-45.8-179.1-29.336.6000113.9V195 I196 Q197 W208 I236 K264P193-V195 VanDerWaalsContact C-N 3.28Å; P193-V195 PolarHBondContact O-N 2.89Å; P193-I196 PolarHBondContact O-N 2.94Å; P193-Q197 WeakPolarHBondContact O-CB 3.37Å; P193-Q197 VanDerWaalsContact O-CG 3.29Å; P193-Q197 WeakPolarHBondContact O-CG 3.47Å; P193-Q197 PolarHBondContact O-N 3.22Å; P193-W208 HydrophobicContact CG-CE3 4.33Å; P193-W208 HydrophobicContact CG-CH2 3.85Å; P193-W208 HydrophobicContact CG-CZ2 4.04Å; P193-W208 HydrophobicContact CG-CZ3 3.99Å; P193-I236 HydrophobicContact CG-CG2 4.19Å; P193-K264 HydrophobicContact CG-CB 4.37Å; P193-K264 HydrophobicContact CG-CG 4.21Å
194E90.4Very high78.6Confident12 Ų1253 Ų536%0.05629%0.294CS..Hα-helixtrans-66.3-29.1-179.269.3-76-179.800113.3A192 E198 I199 P266 R269A192-E194 VanDerWaalsContact C-N 3.32Å; A192-E194 WeakPolarHBondContact CB-OE1 3.4Å; A192-E194 WeakPolarHBondContact CB-OE2 3.38Å; A192-E194 PolarHBondContact O-N 2.99Å; E194-E198 PolarHBondContact O-N 2.79Å; E194-I199 PolarHBondContact O-N 3.14Å; E194-P266 HydrophobicContact CB-CG 4.49Å; E194-P266 HydrophobicContact CG-CB 4.41Å; E194-P266 HydrophobicContact CG-CG 4.26Å; E194-R269 IonicContact OE1-CZ 3.75Å; E194-R269 IonicContact OE1-NH1 2.72Å; E194-R269 PolarHBondContact OE1-NH1 2.74Å; E194-R269 IonicContact OE1-NH2 2.66Å; E194-R269 PolarHBondContact OE1-NH2 3.28Å; E194-R269 IonicContact OE2-CZ 2.69Å; E194-R269 IonicContact OE2-NH1 2.77Å; E194-R269 IonicContact OE2-NH2 2.29Å; E194-R269 PolarHBondContact OE2-NH2 3.1Å
195V87.8Confident81.1Confident21 Ų2147.3 Ų47.313%0.12726%0.26CS..Hα-helixtrans-72.3-40.9176.3-178.10000110.4L174 M191 A192 P193 Q197 E198 A205L174-V195 HydrophobicContact CD1-CG1 3.51Å; M191-V195 HydrophobicContact CE-CG1 3.8Å; A192-V195 HydrophobicContact CB-CG2 3.97Å; A192-V195 WeakPolarHBondContact O-CB 3.46Å; A192-V195 PolarHBondContact O-N 3.27Å; P193-V195 VanDerWaalsContact C-N 3.28Å; P193-V195 PolarHBondContact O-N 2.89Å; V195-Q197 VanDerWaalsContact C-N 3.33Å; V195-E198 PolarHBondContact O-N 2.98Å; V195-A205 HydrophobicContact CG2-CB 3.75Å
196I85.3Confident83.2Confident29 Ų2943.7 Ų43.715%0.14924%0.242CC..Hα-helixtrans-69.3-32176.1-64.1171.4000111.6M191 A192 P193 E198 I233 I236 P237M191-I196 HydrophobicContact CB-CD1 3.95Å; M191-I196 HydrophobicContact CB-CG1 3.77Å; M191-I196 HydrophobicContact CE-CG1 3.96Å; M191-I196 HydrophobicContact SD-CG1 4.34Å; A192-I196 PolarHBondContact O-N 2.9Å; A192-I196 VanDerWaalsContact O-N 3.15Å; P193-I196 PolarHBondContact O-N 2.94Å; I196-E198 VanDerWaalsContact C-N 3.34Å; I196-I233 HydrophobicContact CG2-CG2 3.86Å; I196-I236 HydrophobicContact CD1-CB 3.71Å; I196-I236 HydrophobicContact CD1-CD1 3.88Å; I196-I236 HydrophobicContact CD1-CG1 4.41Å; I196-I236 HydrophobicContact CD1-CG2 3.64Å; I196-P237 HydrophobicContact CB-CG 4.03Å; I196-P237 HydrophobicContact CD1-CG 4.42Å; I196-P237 HydrophobicContact CG2-CG 3.69Å
197Q81.9Confident85.1Confident103 Ų10341.7 Ų41.748%0.48122%0.221SC..THydrogen-bonded Turntrans-88.73.7-179.1-66-179.3-76.300113.9P193 V195 I199 P237P193-Q197 WeakPolarHBondContact O-CB 3.37Å; P193-Q197 VanDerWaalsContact O-CG 3.29Å; P193-Q197 WeakPolarHBondContact O-CG 3.47Å; P193-Q197 PolarHBondContact O-N 3.22Å; V195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-I199 HydrophobicContact CB-CD1 3.72Å; Q197-I199 HydrophobicContact CB-CG1 3.65Å; Q197-I199 WeakPolarHBondContact O-CG1 3.48Å; Q197-I199 PolarHBondContact O-N 2.97Å; Q197-I199 VanDerWaalsContact O-N 3.09Å; Q197-P237 HydrophobicContact CG-CB 3.8Å; Q197-P237 HydrophobicContact CG-CG 3.99Å
198E73.9Confident86.5Confident131 Ų13137.7 Ų37.761%0.61220%0.196SC*.THydrogen-bonded Turntrans56.820.3-179.7-60.7177.7-171.800115E194 V195 I196 G200E194-E198 PolarHBondContact O-N 2.79Å; V195-E198 PolarHBondContact O-N 2.98Å; I196-E198 VanDerWaalsContact C-N 3.34Å; E198-G200 PolarHBondContact O-N 2.91Å
199I63.1Low87Confident127 Ų12737.9 Ų37.965%0.65120%0.197SC*.SBendtrans-7720-178.2-43.3-178.9000111.4E194 Q197E194-I199 PolarHBondContact O-N 3.14Å; Q197-I199 HydrophobicContact CB-CD1 3.72Å; Q197-I199 HydrophobicContact CB-CG1 3.65Å; Q197-I199 WeakPolarHBondContact O-CG1 3.48Å; Q197-I199 PolarHBondContact O-N 2.97Å; Q197-I199 VanDerWaalsContact O-N 3.09Å
200G61.9Low87.2Confident45 Ų4537.1 Ų37.146%0.46419%0.194SC..  trans81.1152.4-166.700000112.8E198E198-G200 PolarHBondContact O-N 2.91Å
201Y70Confident87.4Confident108 Ų10835.4 Ų35.442%0.42419%0.187SC..  trans-117.8146.2177.263.6-83.5000109.7I146 R148I146-Y201 HydrophobicContact CD1-CD2 3.75Å; I146-Y201 HydrophobicContact CD1-CE2 3.87Å; R148-Y201 VanDerWaalsContact CZ-CE2 3.44Å; R148-Y201 VanDerWaalsContact NH1-CZ 3.35Å; R148-Y201 PolarHBondContact NH1-OH 2.68Å; R148-Y201 VanDerWaalsContact NH2-CE2 3.31Å; R148-Y201 PolarHBondContact NH2-OH 2.79Å
202N77.6Confident87.7Confident60 Ų6033.8 Ų33.832%0.32118%0.179SC..  trans-135.9-179.5178.968.418.5000110.3V204 A205N202-V204 PolarHBondContact O-N 3.04Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.32Å; N202-V204 PolarHBondContact OD1-N 3.1Å; N202-V204 VanDerWaalsContact OD1-N 3.08Å; N202-A205 VanDerWaalsContact O-CB 3.25Å; N202-A205 WeakPolarHBondContact O-CB 3.24Å; N202-A205 PolarHBondContact O-N 3.1Å; N202-A205 VanDerWaalsContact O-N 3.08Å
203C88.3Confident88Confident35 Ų3533.7 Ų33.724%0.23618%0.179CC..THydrogen-bonded Turntrans-56.6-31.5-178.3-66.40000114.3H141 A205 D206H141-C203 HydrophobicContact CB-CB 4.02Å; H141-C203 PolarHBondContact CE1-O 2.93Å; H141-C203 PolarHBondContact NE2-O 2.95Å; H141-C203 VanDerWaalsContact NE2-O 3.14Å; C203-A205 PolarHBondContact O-N 3.37Å; C203-D206 PolarHBondContact O-N 3.13Å
204V94.8Very high88.3Confident15 Ų1533.6 Ų33.69%0.09118%0.178CC..THydrogen-bonded Turntrans-78.3-3.1-179.3-59.50000113.6N202 D206 I207 W208 P266 R269 T271N202-V204 PolarHBondContact O-N 3.04Å; N202-V204 WeakPolarHBondContact OD1-CG2 3.32Å; N202-V204 PolarHBondContact OD1-N 3.1Å; N202-V204 VanDerWaalsContact OD1-N 3.08Å; V204-D206 VanDerWaalsContact C-N 3.31Å; V204-I207 HydrophobicContact CB-CB 4.48Å; V204-I207 HydrophobicContact CB-CG1 4.34Å; V204-I207 HydrophobicContact CG1-CG1 4.4Å; V204-I207 WeakPolarHBondContact O-CB 3.21Å; V204-I207 PolarHBondContact O-N 2.69Å; V204-I207 VanDerWaalsContact O-N 3.16Å; V204-W208 PolarHBondContact O-N 3.38Å; V204-P266 HydrophobicContact CG2-CB 3.86Å; V204-P266 WeakPolarHBondContact CG2-O 3.21Å; V204-R269 HydrophobicContact CB-CB 4.35Å; V204-R269 HydrophobicContact CG2-CB 4.24Å; V204-R269 VanDerWaalsContact O-CD 3.23Å; V204-R269 WeakPolarHBondContact O-CD 3.2Å; V204-R269 PolarHBondContact O-NH1 3.03Å; V204-T271 HydrophobicContact CG1-CG2 4.26Å
205A94.1Very high88.6Confident7 Ų733 Ų336%0.05818%0.175CC..Hα-helixtrans-56.9-46.216500000111A192 V195 N202 C203 I207 W208 S209A192-A205 HydrophobicContact CB-CB 4.36Å; V195-A205 HydrophobicContact CG2-CB 3.75Å; N202-A205 VanDerWaalsContact O-CB 3.25Å; N202-A205 WeakPolarHBondContact O-CB 3.24Å; N202-A205 PolarHBondContact O-N 3.1Å; N202-A205 VanDerWaalsContact O-N 3.08Å; C203-A205 PolarHBondContact O-N 3.37Å; A205-I207 PolarHBondContact O-N 3.22Å; A205-I207 VanDerWaalsContact O-N 3.12Å; A205-W208 WeakPolarHBondContact O-CB 3.13Å; A205-W208 PolarHBondContact O-N 3.39Å; A205-W208 VanDerWaalsContact O-N 3.09Å; A205-S209 PolarHBondContact O-N 3.48Å; A205-S209 PolarHBondContact O-OG 2.97Å
206D95.6Very high89.2Confident0 Ų032.6 Ų32.60%017%0.172CC..Hα-helixtrans-58.8-27.6176.9-62.8-27000112.5L137 H141 I146 H147 R148 I150 C203 V204 L210L137-D206 HydrophobicContact CD1-CB 4.33Å; L137-D206 HydrophobicContact CD2-CB 3.77Å; H141-D206 IonicContact CD2-OD2 3.78Å; H141-D206 IonicContact CE1-OD2 2.63Å; H141-D206 IonicContact NE2-OD2 3.5Å; H141-D206 PolarHBondContact NE2-OD2 2.89Å; I146-D206 WeakPolarHBondContact CG2-OD1 3.45Å; H147-D206 PolarHBondContact N-OD1 3.39Å; H147-D206 VanDerWaalsContact N-OD1 3.12Å; H147-D206 PolarHBondContact N-OD2 2.94Å; R148-D206 PolarHBondContact N-OD1 3.37Å; I150-D206 HydrophobicContact CG1-CB 4.24Å; C203-D206 PolarHBondContact O-N 3.13Å; V204-D206 VanDerWaalsContact C-N 3.31Å; D206-L210 WeakPolarHBondContact O-CB 3.5Å; D206-L210 PolarHBondContact O-N 2.85Å
207I98.6Very high89.8Confident0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-76.6-34.2180-56.8-61.9000111.9L134 L137 V204 A205 L210 G211 C261 R269 A270 A272 L275L134-I207 HydrophobicContact CD2-CD1 4.39Å; L137-I207 HydrophobicContact CD1-CD1 4.05Å; V204-I207 HydrophobicContact CB-CB 4.48Å; V204-I207 HydrophobicContact CB-CG1 4.34Å; V204-I207 HydrophobicContact CG1-CG1 4.4Å; V204-I207 WeakPolarHBondContact O-CB 3.21Å; V204-I207 PolarHBondContact O-N 2.69Å; V204-I207 VanDerWaalsContact O-N 3.16Å; A205-I207 PolarHBondContact O-N 3.22Å; A205-I207 VanDerWaalsContact O-N 3.12Å; I207-L210 PolarHBondContact O-N 2.61Å; I207-G211 PolarHBondContact O-N 3.05Å; I207-C261 HydrophobicContact CG2-CB 4.26Å; I207-C261 WeakPolarHBondContact O-CB 3.46Å; I207-R269 HydrophobicContact CG2-CG 4.32Å; I207-A270 WeakPolarHBondContact CG2-O 3.47Å; I207-A272 HydrophobicContact CD1-CB 4.04Å; I207-L275 HydrophobicContact CD1-CD1 4.32Å; I207-L275 HydrophobicContact CG2-CD1 3.41Å; I207-L275 VanDerWaalsContact CG2-CD1 3.41Å
208W98.3Very high90.6Very high4 Ų426.4 Ų26.42%0.01514%0.143CC..Hα-helixtrans-64-47.7169.5173.1-80000110M191 A192 P193 V204 A205 L210 G211 I212 I236 L262 K264M191-W208 PolarHBondContact O-NE1 2.94Å; A192-W208 VanDerWaalsContact CA-CD1 3.44Å; A192-W208 HydrophobicContact CB-CB 3.71Å; A192-W208 HydrophobicContact CB-CD2 4.41Å; A192-W208 HydrophobicContact CB-CG 3.73Å; P193-W208 HydrophobicContact CG-CE3 4.33Å; P193-W208 HydrophobicContact CG-CH2 3.85Å; P193-W208 HydrophobicContact CG-CZ2 4.04Å; P193-W208 HydrophobicContact CG-CZ3 3.99Å; V204-W208 PolarHBondContact O-N 3.38Å; A205-W208 WeakPolarHBondContact O-CB 3.13Å; A205-W208 PolarHBondContact O-N 3.39Å; A205-W208 VanDerWaalsContact O-N 3.09Å; W208-L210 VanDerWaalsContact C-N 3.3Å; W208-L210 PolarHBondContact O-N 3.38Å; W208-G211 WeakPolarHBondContact O-CA 3.17Å; W208-G211 PolarHBondContact O-N 2.82Å; W208-I212 PolarHBondContact O-N 3.09Å; W208-I236 HydrophobicContact CZ2-CG2 4.03Å; W208-L262 HydrophobicContact CD2-CD2 3.71Å; W208-L262 HydrophobicContact CE3-CB 4.26Å; W208-L262 HydrophobicContact CE3-CD2 3.98Å; W208-L262 HydrophobicContact CG-CD2 4.08Å; W208-L262 HydrophobicContact CZ2-CD2 4.29Å; W208-L262 HydrophobicContact CZ3-CB 4.11Å; W208-L262 HydrophobicContact CZ3-CD2 4.36Å; W208-L262 WeakPolarHBondContact CZ3-O 3.48Å; W208-L262 WeakPolarHBondContact O-CD2 3.27Å; W208-K264 HydrophobicContact CH2-CG 4.02Å; W208-K264 HydrophobicContact CZ3-CG 3.83Å
209S97.8Very high91.8Very high5 Ų521.6 Ų21.64%0.03512%0.12CC..Hα-helixtrans-57.1-42.3176.6-53.50000111.8W190 A205 G211 I212 T213W190-S209 WeakPolarHBondContact O-CA 3.32Å; W190-S209 WeakPolarHBondContact O-CB 3.41Å; W190-S209 PolarHBondContact O-OG 3.15Å; A205-S209 PolarHBondContact O-N 3.48Å; A205-S209 PolarHBondContact O-OG 2.97Å; S209-G211 VanDerWaalsContact C-N 3.33Å; S209-G211 PolarHBondContact O-N 3.04Å; S209-I212 CarbonylContact O-C 3.43Å; S209-I212 WeakPolarHBondContact O-CB 3.41Å; S209-I212 PolarHBondContact O-N 3Å; S209-I212 VanDerWaalsContact O-N 3.12Å; S209-T213 PolarHBondContact O-N 3.25Å; S209-T213 PolarHBondContact O-OG1 3.31Å
210L98.8Very high93.4Very high0 Ų017.3 Ų17.30%011%0.108CC..Hα-helixtrans-59.6-38.6172.2-17077.3000113.1L130 T133 L134 L137 I150 D206 I207 W208 T213 S214 F257L130-L210 HydrophobicContact CD2-CD1 3.53Å; L130-L210 HydrophobicContact CD2-CD2 4.39Å; L130-L210 HydrophobicContact CD2-CG 3.86Å; T133-L210 HydrophobicContact CG2-CD1 3.57Å; L134-L210 HydrophobicContact CD2-CD2 3.45Å; L134-L210 VanDerWaalsContact CD2-CD2 3.45Å; L134-L210 HydrophobicContact CG-CD2 3.78Å; L137-L210 HydrophobicContact CD1-CB 4.39Å; L137-L210 HydrophobicContact CD1-CD1 4.21Å; L137-L210 HydrophobicContact CD1-CD2 4.16Å; I150-L210 HydrophobicContact CG2-CB 4.28Å; I150-L210 HydrophobicContact CG2-CD1 4.27Å; D206-L210 WeakPolarHBondContact O-CB 3.5Å; D206-L210 PolarHBondContact O-N 2.85Å; I207-L210 PolarHBondContact O-N 2.61Å; W208-L210 VanDerWaalsContact C-N 3.3Å; W208-L210 PolarHBondContact O-N 3.38Å; L210-T213 PolarHBondContact O-N 2.85Å; L210-S214 WeakPolarHBondContact O-CB 3.31Å; L210-S214 PolarHBondContact O-N 2.98Å; L210-S214 PolarHBondContact O-OG 3.14Å; L210-F257 HydrophobicContact CD2-CZ 4.34Å
211G98.8Very high95Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-62.8-40.5173.100000112.5I207 W208 S209 S214 I215I207-G211 PolarHBondContact O-N 3.05Å; W208-G211 WeakPolarHBondContact O-CA 3.17Å; W208-G211 PolarHBondContact O-N 2.82Å; S209-G211 VanDerWaalsContact C-N 3.33Å; S209-G211 PolarHBondContact O-N 3.04Å; G211-S214 WeakPolarHBondContact O-CB 3.27Å; G211-S214 PolarHBondContact O-N 3.38Å; G211-I215 PolarHBondContact O-N 3.29Å
212I98.8Very high96.4Very high3 Ų313.7 Ų13.72%0.0158%0.082CC..Hα-helixtrans-66.3-43.9172.6-61.1-60.2000111.1W190 W208 S209 S214 I215 E216 P222 P223 P242 L262W190-I212 HydrophobicContact CB-CG2 4.36Å; W190-I212 VanDerWaalsContact CD1-CG2 3.45Å; W190-I212 HydrophobicContact CG-CB 4.41Å; W190-I212 HydrophobicContact CG-CG2 3.85Å; W208-I212 PolarHBondContact O-N 3.09Å; S209-I212 CarbonylContact O-C 3.43Å; S209-I212 WeakPolarHBondContact O-CB 3.41Å; S209-I212 PolarHBondContact O-N 3Å; S209-I212 VanDerWaalsContact O-N 3.12Å; I212-S214 PolarHBondContact O-N 3.03Å; I212-I215 PolarHBondContact O-N 3.34Å; I212-I215 VanDerWaalsContact O-N 3.11Å; I212-E216 PolarHBondContact O-N 2.93Å; I212-P222 HydrophobicContact CG2-CB 3.53Å; I212-P223 HydrophobicContact CD1-CG 4.13Å; I212-P242 HydrophobicContact CD1-CG 3.8Å; I212-L262 HydrophobicContact CD1-CD1 4.32Å; I212-L262 HydrophobicContact CD1-CD2 3.76Å; I212-L262 HydrophobicContact CG1-CD2 3.94Å
213T98.8Very high97.3Very high0 Ų011.5 Ų11.50%07%0.071CC..Hα-helixtrans-60.7-31.3175.6-49.80000112.2I150 K151 A152 I155 S209 L210 E216 M217I150-T213 PolarHBondContact O-OG1 3.14Å; K151-T213 WeakPolarHBondContact CA-OG1 3.33Å; A152-T213 HydrophobicContact CB-CG2 4.11Å; I155-T213 HydrophobicContact CD1-CG2 3.81Å; S209-T213 PolarHBondContact O-N 3.25Å; S209-T213 PolarHBondContact O-OG1 3.31Å; L210-T213 PolarHBondContact O-N 2.85Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 2.91Å; T213-M217 HydrophobicContact CG2-CE 4.26Å; T213-M217 WeakPolarHBondContact O-CE 3.18Å; T213-M217 WeakPolarHBondContact O-CG 3.18Å; T213-M217 PolarHBondContact O-N 3.17Å
214S98.9Very high97.6Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-65.6-40.8175.2-57.60000111.7L130 L210 G211 I212 A218L130-S214 WeakPolarHBondContact CD1-OG 3.29Å; L210-S214 WeakPolarHBondContact O-CB 3.31Å; L210-S214 PolarHBondContact O-N 2.98Å; L210-S214 PolarHBondContact O-OG 3.14Å; G211-S214 WeakPolarHBondContact O-CB 3.27Å; G211-S214 PolarHBondContact O-N 3.38Å; I212-S214 PolarHBondContact O-N 3.03Å; S214-A218 WeakPolarHBondContact O-CB 3.25Å; S214-A218 PolarHBondContact O-N 3.46Å
215I98.8Very high97.6Very high0 Ų013.2 Ų13.20%08%0.079CC..Hα-helixtrans-70.4-38.5172.4-58.8172.4000110.8G211 I212 M217 A218 E219 P223 F244 V258 L262G211-I215 PolarHBondContact O-N 3.29Å; I212-I215 PolarHBondContact O-N 3.34Å; I212-I215 VanDerWaalsContact O-N 3.11Å; I215-M217 PolarHBondContact O-N 3.35Å; I215-A218 PolarHBondContact O-N 2.88Å; I215-E219 HydrophobicContact CG2-CB 4.47Å; I215-E219 HydrophobicContact CG2-CG 3.97Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.39Å; I215-E219 WeakPolarHBondContact O-CB 3.3Å; I215-E219 PolarHBondContact O-N 2.93Å; I215-P223 HydrophobicContact CB-CG 4.46Å; I215-P223 HydrophobicContact CD1-CG 3.87Å; I215-P223 HydrophobicContact CG2-CG 4.09Å; I215-F244 HydrophobicContact CG1-CD1 4.22Å; I215-F244 HydrophobicContact CG1-CE1 4.01Å; I215-F244 HydrophobicContact CG2-CD1 4.37Å; I215-V258 HydrophobicContact CD1-CG1 3.96Å; I215-V258 HydrophobicContact CG1-CG1 3.98Å; I215-L262 HydrophobicContact CD1-CD1 3.89Å
216E98.7Very high97.5Very high12 Ų1219 Ų196%0.05611%0.108CC..Hα-helixtrans-58.1-45.7176.2-179.3-172.1-173.900112.3A152 W190 I212 T213 A218 G220 K221A152-E216 HydrophobicContact CB-CG 4.07Å; A152-E216 WeakPolarHBondContact CB-OE1 3.46Å; A152-E216 PolarHBondContact N-OE1 3.42Å; A152-E216 PolarHBondContact N-OE2 2.96Å; W190-E216 WeakPolarHBondContact CZ2-OE1 3.48Å; W190-E216 PolarHBondContact NE1-OE2 3.49Å; I212-E216 PolarHBondContact O-N 2.93Å; T213-E216 WeakPolarHBondContact O-CB 3.24Å; T213-E216 PolarHBondContact O-N 2.91Å; E216-A218 VanDerWaalsContact C-N 3.34Å; E216-A218 PolarHBondContact O-N 2.98Å; E216-G220 CarbonylContact O-C 3.58Å; E216-G220 WeakPolarHBondContact O-CA 3.46Å; E216-G220 PolarHBondContact O-N 3.07Å; E216-K221 PolarHBondContact O-N 2.57Å
217M98.8Very high97.3Very high0 Ų020.9 Ų20.90%012%0.118CC..Hα-helixtrans-67.5-33.8177.5-68.5-178.4-68.500113V110 I114 T120 L121 I126 I129 L130 A152 T213 I215V110-M217 HydrophobicContact CG1-CG 3.76Å; V110-M217 HydrophobicContact CG1-SD 3.8Å; I114-M217 HydrophobicContact CD1-CB 4.46Å; I114-M217 HydrophobicContact CD1-CG 4.44Å; T120-M217 WeakPolarHBondContact CB-O 3.29Å; L121-M217 HydrophobicContact CD1-CB 4.27Å; L121-M217 HydrophobicContact CD1-CG 4.37Å; L121-M217 HydrophobicContact CD1-SD 4.28Å; L121-M217 HydrophobicContact CG-CB 4.42Å; L121-M217 PolarHBondContact N-O 3.27Å; I126-M217 HydrophobicContact CD1-CB 4.01Å; I126-M217 HydrophobicContact CG1-CB 3.89Å; I126-M217 HydrophobicContact CG2-CE 3.97Å; I129-M217 HydrophobicContact CG2-SD 4.22Å; L130-M217 HydrophobicContact CD1-CE 4.23Å; L130-M217 HydrophobicContact CD2-CE 3.76Å; L130-M217 HydrophobicContact CG-CE 3.86Å; A152-M217 HydrophobicContact CB-CG 4.3Å; T213-M217 HydrophobicContact CG2-CE 4.26Å; T213-M217 WeakPolarHBondContact O-CE 3.18Å; T213-M217 WeakPolarHBondContact O-CG 3.18Å; T213-M217 PolarHBondContact O-N 3.17Å; I215-M217 PolarHBondContact O-N 3.35Å
218A98.7Very high96.8Very high3 Ų326.6 Ų26.63%0.02515%0.145CC..Hα-helixtrans-76.9-38.6-179.700000113.2T120 I126 S214 I215 E216 F244 W250 F254T120-A218 VanDerWaalsContact CB-O 3.26Å; T120-A218 WeakPolarHBondContact CB-O 3.4Å; T120-A218 WeakPolarHBondContact CG2-O 3.43Å; T120-A218 PolarHBondContact OG1-O 3.36Å; I126-A218 HydrophobicContact CD1-CB 3.99Å; S214-A218 WeakPolarHBondContact O-CB 3.25Å; S214-A218 PolarHBondContact O-N 3.46Å; I215-A218 PolarHBondContact O-N 2.88Å; E216-A218 VanDerWaalsContact C-N 3.34Å; E216-A218 PolarHBondContact O-N 2.98Å; A218-F244 HydrophobicContact CB-CD1 4.41Å; A218-F244 HydrophobicContact CB-CE1 3.91Å; A218-W250 HydrophobicContact CB-CH2 3.58Å; A218-W250 HydrophobicContact CB-CZ2 3.67Å; A218-W250 HydrophobicContact CB-CZ3 4.13Å; A218-F254 HydrophobicContact CB-CE1 4.06Å; A218-F254 HydrophobicContact CB-CZ 4.19Å
219E98.3Very high96.3Very high29 Ų2928.1 Ų28.114%0.13616%0.155CC..Hα-helixtrans-116.55.9-171-53.5-165.3143.200114.7I215 K221 F244 R245I215-E219 HydrophobicContact CG2-CB 4.47Å; I215-E219 HydrophobicContact CG2-CG 3.97Å; I215-E219 WeakPolarHBondContact CG2-OE2 3.39Å; I215-E219 WeakPolarHBondContact O-CB 3.3Å; I215-E219 PolarHBondContact O-N 2.93Å; E219-K221 PolarHBondContact O-N 2.77Å; E219-K221 VanDerWaalsContact O-N 3.16Å; E219-F244 HydrophobicContact CG-CD1 4.41Å; E219-F244 WeakPolarHBondContact OE1-CA 3.5Å; E219-R245 PolarHBondContact O-NH1 2.72Å; E219-R245 WeakPolarHBondContact OE1-CB 3.4Å; E219-R245 WeakPolarHBondContact OE1-CG 3.42Å; E219-R245 PolarHBondContact OE1-N 2.85Å; E219-R245 WeakPolarHBondContact OE2-CD 3.46Å; E219-R245 WeakPolarHBondContact OE2-CG 3.37Å; E219-R245 IonicContact OE2-CZ 2.79Å; E219-R245 IonicContact OE2-NE 3.17Å; E219-R245 PolarHBondContact OE2-NE 3.46Å; E219-R245 IonicContact OE2-NH1 3.38Å; E219-R245 IonicContact OE2-NH2 2.71Å; E219-R245 PolarHBondContact OE2-NH2 2.96Å
220G97.2Very high95.7Very high38 Ų3833.9 Ų33.939%0.39218%0.183SC..SBendtrans74.9-7176.700000115.6T120 E216T120-G220 VanDerWaalsContact CG2-N 3.31Å; E216-G220 CarbonylContact O-C 3.58Å; E216-G220 WeakPolarHBondContact O-CA 3.46Å; E216-G220 PolarHBondContact O-N 3.07Å
221K96.5Very high95.2Very high68 Ų6841.6 Ų41.630%0.29621%0.212SC..SBendtrans-162.2149178.266.3-170.1-172.51780110.5E216 E219 A225 D226 R245E216-K221 PolarHBondContact O-N 2.57Å; E219-K221 PolarHBondContact O-N 2.77Å; E219-K221 VanDerWaalsContact O-N 3.16Å; K221-A225 HydrophobicContact CB-CB 3.99Å; K221-A225 HydrophobicContact CD-CB 4.09Å; K221-A225 HydrophobicContact CG-CB 4.08Å; K221-D226 WeakPolarHBondContact CE-OD2 3.18Å; K221-D226 IonicContact NZ-OD1 2.68Å; K221-D226 PolarHBondContact NZ-OD1 2.83Å; K221-D226 IonicContact NZ-OD2 2.69Å; K221-D226 PolarHBondContact NZ-OD2 3.01Å; K221-R245 PolarHBondContact O-NH2 2.95Å
222P97.5Very high94.9Very high8 Ų841.6 Ų41.65%0.05221%0.212CC..  trans-67.2165.6-178.931.1-38.5000112.4F189 W190 I212 A225F189-P222 HydrophobicContact CB-CB 4.09Å; F189-P222 HydrophobicContact CB-CG 3.84Å; F189-P222 HydrophobicContact CD2-CG 4.15Å; F189-P222 HydrophobicContact CG-CG 4.33Å; W190-P222 HydrophobicContact CH2-CG 3.89Å; W190-P222 HydrophobicContact CZ2-CB 4.24Å; W190-P222 HydrophobicContact CZ2-CG 3.61Å; W190-P222 HydrophobicContact CZ3-CG 4.48Å; I212-P222 HydrophobicContact CG2-CB 3.53Å; P222-A225 HydrophobicContact CG-CB 4.11Å; P222-A225 WeakPolarHBondContact O-CB 3.42Å; P222-A225 PolarHBondContact O-N 3Å
223P97.5Very high94.4Very high14 Ų1442.9 Ų42.99%0.09122%0.219CC..THydrogen-bonded Turntrans-52.4143.4166.5-23.735.6000111.4I212 I215 A225 P242I212-P223 HydrophobicContact CD1-CG 4.13Å; I215-P223 HydrophobicContact CB-CG 4.46Å; I215-P223 HydrophobicContact CD1-CG 3.87Å; I215-P223 HydrophobicContact CG2-CG 4.09Å; P223-A225 PolarHBondContact O-N 3.09Å; P223-P242 HydrophobicContact CB-CB 3.66Å; P223-P242 HydrophobicContact CB-CG 4.04Å; P223-P242 HydrophobicContact CG-CB 3.62Å; P223-P242 HydrophobicContact CG-CG 3.8Å
224Y95.6Very high93.9Very high53 Ų5350.3 Ų50.321%0.20825%0.251CS..THydrogen-bonded Turntrans62.510.8-179.7-44.3-44.4000116.4F189 D226 I227 M235 I236 N239F189-Y224 VanDerWaalsContact CE1-O 3.26Å; F189-Y224 WeakPolarHBondContact CE1-O 3.42Å; Y224-D226 PolarHBondContact O-N 2.7Å; Y224-D226 VanDerWaalsContact O-N 3.11Å; Y224-I227 HydrophobicContact CD1-CD1 3.72Å; Y224-I227 HydrophobicContact CG-CD1 4.2Å; Y224-I227 WeakPolarHBondContact O-CA 3.26Å; Y224-I227 VanDerWaalsContact O-CB 3.31Å; Y224-I227 WeakPolarHBondContact O-CB 3.49Å; Y224-I227 PolarHBondContact O-N 2.75Å; Y224-M235 HydrophobicContact CD1-CE 3.69Å; Y224-M235 HydrophobicContact CE1-CE 3.45Å; Y224-M235 VanDerWaalsContact CE1-CE 3.45Å; Y224-M235 HydrophobicContact CE2-CB 4.38Å; Y224-M235 HydrophobicContact CE2-CE 4.49Å; Y224-M235 HydrophobicContact CG-CE 4.31Å; Y224-I236 HydrophobicContact CD2-CG1 4.05Å; Y224-I236 HydrophobicContact CE2-CG1 4.05Å; Y224-N239 PolarHBondContact OH-ND2 2.85Å
225A93.4Very high93.6Very high33 Ų3351.7 Ų51.727%0.27326%0.258SS..THydrogen-bonded Turntrans-53.3-32.7177.100000114.6K221 P222 P223 I227K221-A225 HydrophobicContact CB-CB 3.99Å; K221-A225 HydrophobicContact CD-CB 4.09Å; K221-A225 HydrophobicContact CG-CB 4.08Å; P222-A225 HydrophobicContact CG-CB 4.11Å; P222-A225 WeakPolarHBondContact O-CB 3.42Å; P222-A225 PolarHBondContact O-N 3Å; P223-A225 PolarHBondContact O-N 3.09Å; A225-I227 PolarHBondContact O-N 3.03Å
226D92.1Very high93.4Very high128 Ų12852.2 Ų52.268%0.68426%0.261SS*.THydrogen-bonded Turntrans-83.24.1178.2-51.6-44.1000113.3K221 Y224K221-D226 WeakPolarHBondContact CE-OD2 3.18Å; K221-D226 IonicContact NZ-OD1 2.68Å; K221-D226 PolarHBondContact NZ-OD1 2.83Å; K221-D226 IonicContact NZ-OD2 2.69Å; K221-D226 PolarHBondContact NZ-OD2 3.01Å; Y224-D226 PolarHBondContact O-N 2.7Å; Y224-D226 VanDerWaalsContact O-N 3.11Å
227I91.4Very high93.2Very high41 Ų4152.7 Ų52.721%0.2127%0.265CS..SBendtrans-109.7133.1-176.2-54.9-174.5000109.2F189 Y224 A225 R231 M235F189-I227 WeakPolarHBondContact CZ-O 3.33Å; Y224-I227 HydrophobicContact CD1-CD1 3.72Å; Y224-I227 HydrophobicContact CG-CD1 4.2Å; Y224-I227 WeakPolarHBondContact O-CA 3.26Å; Y224-I227 VanDerWaalsContact O-CB 3.31Å; Y224-I227 WeakPolarHBondContact O-CB 3.49Å; Y224-I227 PolarHBondContact O-N 2.75Å; A225-I227 PolarHBondContact O-N 3.03Å; I227-R231 HydrophobicContact CG2-CB 3.87Å; I227-R231 HydrophobicContact CG2-CG 3.79Å; I227-M235 HydrophobicContact CD1-CE 3.71Å; I227-M235 HydrophobicContact CD1-SD 4.09Å; I227-M235 HydrophobicContact CG2-SD 4.44Å
228H88.3Confident93Very high119 Ų11957.6 Ų57.655%0.55130%0.295SS*.  trans-49.6128.6177.5-172.4-76.7000112M230 R231 A232H228-M230 VanDerWaalsContact CE1-CE 3.44Å; H228-M230 WeakPolarHBondContact CE1-CE 3.27Å; H228-M230 PolarHBondContact ND1-N 3.08Å; H228-M230 PolarHBondContact O-N 3.37Å; H228-M230 VanDerWaalsContact O-N 3.14Å; H228-R231 WeakPolarHBondContact O-CB 3.22Å; H228-R231 PolarHBondContact O-N 2.93Å; H228-A232 PolarHBondContact O-N 3.41Å
229P87.2Confident92.9Very high37 Ų3760 Ų6024%0.2431%0.308CS..Hα-helixtrans-45.7-49.6-173.2-35.637.9000115.4P188 F189 R231 A232 I233P188-P229 HydrophobicContact CG-CB 4.06Å; F189-P229 HydrophobicContact CZ-CG 4.38Å; P229-R231 PolarHBondContact O-N 2.91Å; P229-R231 VanDerWaalsContact O-N 3.08Å; P229-A232 WeakPolarHBondContact O-CB 3.46Å; P229-A232 PolarHBondContact O-N 3.32Å; P229-I233 PolarHBondContact O-N 3.36Å; P229-I233 VanDerWaalsContact O-N 3.08Å
230M85.3Confident92.9Very high125 Ų12563.6 Ų63.662%0.61633%0.333SS*.Hα-helixtrans-54.7-29.3177.2-69.7-166.4-84.200114.4H228 F234H228-M230 VanDerWaalsContact CE1-CE 3.44Å; H228-M230 WeakPolarHBondContact CE1-CE 3.27Å; H228-M230 PolarHBondContact ND1-N 3.08Å; H228-M230 PolarHBondContact O-N 3.37Å; H228-M230 VanDerWaalsContact O-N 3.14Å; M230-F234 WeakPolarHBondContact O-CD2 3.49Å
231R89.8Confident92.9Very high162 Ų16264.4 Ų64.461%0.61133%0.332SS*.Hα-helixtrans-82.2-34.1176.1176.7175170.9-177.10.7112I227 H228 P229 I233 F234 M235I227-R231 HydrophobicContact CG2-CB 3.87Å; I227-R231 HydrophobicContact CG2-CG 3.79Å; H228-R231 WeakPolarHBondContact O-CB 3.22Å; H228-R231 PolarHBondContact O-N 2.93Å; P229-R231 PolarHBondContact O-N 2.91Å; P229-R231 VanDerWaalsContact O-N 3.08Å; R231-I233 VanDerWaalsContact C-N 3.29Å; R231-I233 PolarHBondContact O-N 3.06Å; R231-F234 PolarHBondContact O-N 3.01Å; R231-M235 HydrophobicContact CG-CG 4.44Å; R231-M235 HydrophobicContact CG-SD 3.77Å; R231-M235 WeakPolarHBondContact O-CG 3.24Å; R231-M235 PolarHBondContact O-N 2.89Å; R231-M235 VanDerWaalsContact O-N 3.13Å
232A90.5Very high93Very high0 Ų062.2 Ų62.20%032%0.324CS..Hα-helixtrans-63.5-36.4174.200000111.9P188 F189 H228 P229 F234 M235 I236P188-A232 HydrophobicContact CG-CB 4.2Å; F189-A232 HydrophobicContact CD1-CB 3.82Å; F189-A232 HydrophobicContact CE1-CB 3.67Å; H228-A232 PolarHBondContact O-N 3.41Å; P229-A232 WeakPolarHBondContact O-CB 3.46Å; P229-A232 PolarHBondContact O-N 3.32Å; A232-F234 VanDerWaalsContact C-N 3.31Å; A232-F234 PolarHBondContact O-N 3.21Å; A232-M235 PolarHBondContact O-N 3.41Å; A232-I236 HydrophobicContact CB-CD1 4.49Å; A232-I236 WeakPolarHBondContact O-CG1 3.3Å; A232-I236 PolarHBondContact O-N 3.24Å
233I88.9Confident93Very high30 Ų3066.5 Ų66.515%0.15435%0.351CS..Hα-helixtrans-53.1-43.5173.1-71.9173.2000112.1I185 P188 I196 P229 R231 P237I185-I233 HydrophobicContact CB-CD1 3.9Å; I185-I233 HydrophobicContact CD1-CD1 3.67Å; I185-I233 HydrophobicContact CG1-CD1 4.39Å; I185-I233 HydrophobicContact CG2-CD1 3.68Å; P188-I233 HydrophobicContact CB-CG1 3.88Å; P188-I233 HydrophobicContact CG-CG1 3.92Å; I196-I233 HydrophobicContact CG2-CG2 3.86Å; P229-I233 PolarHBondContact O-N 3.36Å; P229-I233 VanDerWaalsContact O-N 3.08Å; R231-I233 VanDerWaalsContact C-N 3.29Å; R231-I233 PolarHBondContact O-N 3.06Å; I233-P237 WeakPolarHBondContact O-CD 3.24Å; I233-P237 WeakPolarHBondContact O-CG 3.28Å
234F89.1Confident93Very high156 Ų15666.2 Ų66.268%0.68435%0.348SS*.Hα-helixtrans-76.6-30.9175.2-66.5-72.4000113.2M230 R231 A232 T238M230-F234 WeakPolarHBondContact O-CD2 3.49Å; R231-F234 PolarHBondContact O-N 3.01Å; A232-F234 VanDerWaalsContact C-N 3.31Å; A232-F234 PolarHBondContact O-N 3.21Å; F234-T238 WeakPolarHBondContact O-CB 3.34Å; F234-T238 VanDerWaalsContact O-CG2 3.29Å; F234-T238 WeakPolarHBondContact O-CG2 3.49Å; F234-T238 PolarHBondContact O-OG1 2.97Å
235M93.3Very high93.1Very high30 Ų3070 Ų7015%0.14836%0.362CS..Hα-helixtrans-75.6-39-176.2-75.1174.356.400113.4Y224 I227 R231 A232 T238 N239Y224-M235 HydrophobicContact CD1-CE 3.69Å; Y224-M235 HydrophobicContact CE1-CE 3.45Å; Y224-M235 VanDerWaalsContact CE1-CE 3.45Å; Y224-M235 HydrophobicContact CE2-CB 4.38Å; Y224-M235 HydrophobicContact CE2-CE 4.49Å; Y224-M235 HydrophobicContact CG-CE 4.31Å; I227-M235 HydrophobicContact CD1-CE 3.71Å; I227-M235 HydrophobicContact CD1-SD 4.09Å; I227-M235 HydrophobicContact CG2-SD 4.44Å; R231-M235 HydrophobicContact CG-CG 4.44Å; R231-M235 HydrophobicContact CG-SD 3.77Å; R231-M235 WeakPolarHBondContact O-CG 3.24Å; R231-M235 PolarHBondContact O-N 2.89Å; R231-M235 VanDerWaalsContact O-N 3.13Å; A232-M235 PolarHBondContact O-N 3.41Å; M235-T238 PolarHBondContact O-N 3.11Å; M235-T238 PolarHBondContact O-OG1 3.04Å; M235-N239 VanDerWaalsContact O-CB 3.25Å; M235-N239 WeakPolarHBondContact O-CB 3.27Å; M235-N239 PolarHBondContact O-N 3.11Å
236I94.4Very high93.2Very high10 Ų1073.5 Ų73.55%0.05137%0.371CS..Hα-helixtrans-63.4-45.7-175.6-67.5162.3000112.4P188 P193 I196 W208 Y224 A232 T238P188-I236 VanDerWaalsContact O-CD1 3.3Å; P188-I236 WeakPolarHBondContact O-CD1 3.33Å; P193-I236 HydrophobicContact CG-CG2 4.19Å; I196-I236 HydrophobicContact CD1-CB 3.71Å; I196-I236 HydrophobicContact CD1-CD1 3.88Å; I196-I236 HydrophobicContact CD1-CG1 4.41Å; I196-I236 HydrophobicContact CD1-CG2 3.64Å; W208-I236 HydrophobicContact CZ2-CG2 4.03Å; Y224-I236 HydrophobicContact CD2-CG1 4.05Å; Y224-I236 HydrophobicContact CE2-CG1 4.05Å; A232-I236 HydrophobicContact CB-CD1 4.49Å; A232-I236 WeakPolarHBondContact O-CG1 3.3Å; A232-I236 PolarHBondContact O-N 3.24Å; I236-T238 VanDerWaalsContact C-N 3.35Å; I236-T238 PolarHBondContact O-N 2.97Å
237P93.2Very high93.4Very high23 Ų2370.5 Ų70.515%0.14936%0.359CS..Hα-helixtrans-75.2-18.6176.8-1833.5000114.3I196 Q197 I233 K264I196-P237 HydrophobicContact CB-CG 4.03Å; I196-P237 HydrophobicContact CD1-CG 4.42Å; I196-P237 HydrophobicContact CG2-CG 3.69Å; Q197-P237 HydrophobicContact CG-CB 3.8Å; Q197-P237 HydrophobicContact CG-CG 3.99Å; I233-P237 WeakPolarHBondContact O-CD 3.24Å; I233-P237 WeakPolarHBondContact O-CG 3.28Å; P237-K264 VanDerWaalsContact C-NZ 3.3Å; P237-K264 WeakPolarHBondContact O-CE 3.41Å; P237-K264 PolarHBondContact O-NZ 3.15Å
238T94.5Very high93.6Very high102 Ų10274.9 Ų74.963%0.62638%0.378SS*.Hα-helixtrans-97.1-51.1-176.254.90000113.3F234 M235 I236 K264F234-T238 WeakPolarHBondContact O-CB 3.34Å; F234-T238 VanDerWaalsContact O-CG2 3.29Å; F234-T238 WeakPolarHBondContact O-CG2 3.49Å; F234-T238 PolarHBondContact O-OG1 2.97Å; M235-T238 PolarHBondContact O-N 3.11Å; M235-T238 PolarHBondContact O-OG1 3.04Å; I236-T238 VanDerWaalsContact C-N 3.35Å; I236-T238 PolarHBondContact O-N 2.97Å; T238-K264 PolarHBondContact O-NZ 2.74Å
239N97.1Very high94.1Very high54 Ų5474.5 Ų74.529%0.28938%0.376SS..SBendtrans-63161.1-176.8-73.5-10.4000113.2Y224 M235 K264Y224-N239 PolarHBondContact OH-ND2 2.85Å; M235-N239 VanDerWaalsContact O-CB 3.25Å; M235-N239 WeakPolarHBondContact O-CB 3.27Å; M235-N239 PolarHBondContact O-N 3.11Å; N239-K264 PolarHBondContact O-NZ 2.96Å
240P97.8Very high94.6Very high104 Ų10475.2 Ų75.268%0.67537%0.374SS*.PPolyproline II helixtrans-57.8160.3161.527.9-36.3000111.3
241P98Very high95.2Very high56 Ų5671.2 Ų71.236%0.36436%0.358SS..PPolyproline II helixtrans-49.7138.8171.9-2734.9000112.2L262 K264P241-L262 HydrophobicContact CB-CB 4.12Å; P241-L262 WeakPolarHBondContact CB-O 3.3Å; P241-L262 WeakPolarHBondContact CG-O 3.47Å; P241-K264 HydrophobicContact CG-CD 4.37Å; P241-K264 HydrophobicContact CG-CG 4.1Å
242P97.9Very high95.6Very high21 Ų2170.5 Ų70.514%0.13637%0.367CS..PPolyproline II helixtrans-68.7154.1173.628.5-31.1000110.9I212 P223 L262I212-P242 HydrophobicContact CD1-CG 3.8Å; P223-P242 HydrophobicContact CB-CB 3.66Å; P223-P242 HydrophobicContact CB-CG 4.04Å; P223-P242 HydrophobicContact CG-CB 3.62Å; P223-P242 HydrophobicContact CG-CG 3.8Å; P242-L262 HydrophobicContact CG-CD1 4.02Å; P242-L262 WeakPolarHBondContact O-CD1 3.43Å
243T97.8Very high96Very high99 Ų9973.2 Ų73.261%0.60738%0.381SS*.  trans-133.1173.3174.952.40000108.5
244F98.1Very high96.5Very high8 Ų871.8 Ų71.84%0.03537%0.374CS..  trans-57144.4172.7-54.3-69.2000111.5I215 A218 E219 K246 P247 W250 F254 V258I215-F244 HydrophobicContact CG1-CD1 4.22Å; I215-F244 HydrophobicContact CG1-CE1 4.01Å; I215-F244 HydrophobicContact CG2-CD1 4.37Å; A218-F244 HydrophobicContact CB-CD1 4.41Å; A218-F244 HydrophobicContact CB-CE1 3.91Å; E219-F244 HydrophobicContact CG-CD1 4.41Å; E219-F244 WeakPolarHBondContact OE1-CA 3.5Å; F244-K246 PolarHBondContact O-N 3.19Å; F244-P247 WeakPolarHBondContact O-CD 3.33Å; F244-W250 AromaticContact CD1-CD1 3.8Å; F244-W250 HydrophobicContact CD1-CG 4.34Å; F244-W250 AromaticContact CD1-NE1 3.63Å; F244-W250 HydrophobicContact CD2-CB 4.11Å; F244-W250 AromaticContact CD2-CD1 3.42Å; F244-W250 VanDerWaalsContact CD2-CD1 3.42Å; F244-W250 AromaticContact CD2-CG 3.84Å; F244-W250 HydrophobicContact CD2-CG 3.84Å; F244-W250 HydrophobicContact CE1-CD2 4.47Å; F244-W250 HydrophobicContact CE1-CG 4.43Å; F244-W250 HydrophobicContact CE2-CB 3.99Å; F244-W250 AromaticContact CE2-CD1 3.98Å; F244-W250 AromaticContact CE2-CG 3.93Å; F244-W250 HydrophobicContact CE2-CG 3.93Å; F244-W250 AromaticContact CG-CD1 3.31Å; F244-W250 HydrophobicContact CG-CG 4.05Å; F244-W250 AromaticContact CG-NE1 3.54Å; F244-W250 HydrophobicContact CZ-CG 4.24Å; F244-F254 HydrophobicContact CE1-CD1 4.4Å; F244-F254 AromaticContact CE1-CE1 3.78Å; F244-F254 HydrophobicContact CE1-CE1 3.78Å; F244-F254 AromaticContact CE1-CZ 4Å; F244-F254 HydrophobicContact CE1-CZ 4Å; F244-F254 HydrophobicContact CE2-CD1 4.19Å; F244-F254 HydrophobicContact CE2-CE1 4.37Å; F244-F254 AromaticContact CZ-CD1 3.62Å; F244-F254 HydrophobicContact CZ-CD1 3.62Å; F244-F254 HydrophobicContact CZ-CD2 4.31Å; F244-F254 AromaticContact CZ-CE1 3.4Å; F244-F254 HydrophobicContact CZ-CE1 3.4Å; F244-F254 HydrophobicContact CZ-CE2 4.14Å; F244-F254 HydrophobicContact CZ-CG 4.08Å; F244-F254 AromaticContact CZ-CZ 3.68Å; F244-F254 HydrophobicContact CZ-CZ 3.68Å; F244-V258 HydrophobicContact CE2-CG2 4.42Å; F244-V258 HydrophobicContact CZ-CG2 3.82Å
245R97.2Very high97Very high133 Ų13366.5 Ų66.550%0.50236%0.355SS..SBendtrans-62.2-24.8174-61.1167.6-156.5142.926.8112.3E219 K221E219-R245 PolarHBondContact O-NH1 2.72Å; E219-R245 WeakPolarHBondContact OE1-CB 3.4Å; E219-R245 WeakPolarHBondContact OE1-CG 3.42Å; E219-R245 PolarHBondContact OE1-N 2.85Å; E219-R245 WeakPolarHBondContact OE2-CD 3.46Å; E219-R245 WeakPolarHBondContact OE2-CG 3.37Å; E219-R245 IonicContact OE2-CZ 2.79Å; E219-R245 IonicContact OE2-NE 3.17Å; E219-R245 PolarHBondContact OE2-NE 3.46Å; E219-R245 IonicContact OE2-NH1 3.38Å; E219-R245 IonicContact OE2-NH2 2.71Å; E219-R245 PolarHBondContact OE2-NH2 2.96Å; K221-R245 PolarHBondContact O-NH2 2.95Å
246K96.1Very high97.2Very high106 Ų10666.8 Ų66.846%0.46136%0.357SS..  trans-138.681.4177.9-69.4-168.7-179.8-175.40110.2F244 E248 H249 W250F244-K246 PolarHBondContact O-N 3.19Å; K246-E248 WeakPolarHBondContact CA-OE2 3.22Å; K246-E248 WeakPolarHBondContact CB-OE1 3.38Å; K246-E248 PolarHBondContact O-N 2.96Å; K246-H249 WeakPolarHBondContact CD-NE2 3.48Å; K246-H249 PolarHBondContact NZ-NE2 3.38Å; K246-H249 PolarHBondContact O-N 3.36Å; K246-W250 PolarHBondContact O-NE1 3.44Å
247P96.1Very high97.4Very high65 Ų6566.3 Ų66.342%0.42235%0.354SS..G310 helixtrans-58-27.8179.7-24.235.7000113F244 H249 W250F244-P247 WeakPolarHBondContact O-CD 3.33Å; P247-H249 PolarHBondContact O-N 3.1Å; P247-H249 VanDerWaalsContact O-N 3.08Å; P247-W250 PolarHBondContact O-N 2.82Å; P247-W250 VanDerWaalsContact O-N 3.14Å
248E96.3Very high97.7Very high132 Ų13265.5 Ų65.562%0.61735%0.349SS*.G310 helixtrans-70.11.4-18078.2-72.317700115.2K246K246-E248 WeakPolarHBondContact CA-OE2 3.22Å; K246-E248 WeakPolarHBondContact CB-OE1 3.38Å; K246-E248 PolarHBondContact O-N 2.96Å
249H96.9Very high97.9Very high111 Ų11167.1 Ų67.151%0.51435%0.347SS..G310 helixtrans-102.2-2.5172.8-67.6-1000113.2K246 P247K246-H249 WeakPolarHBondContact CD-NE2 3.48Å; K246-H249 PolarHBondContact NZ-NE2 3.38Å; K246-H249 PolarHBondContact O-N 3.36Å; P247-H249 PolarHBondContact O-N 3.1Å; P247-H249 VanDerWaalsContact O-N 3.08Å
250W98.3Very high98Very high53 Ų5368.7 Ų68.720%0.20135%0.352CS..SBendtrans-127.7150.7-170.5-51.5106.4000112E123 A218 F244 K246 P247 F254E123-W250 HydrophobicContact CG-CE3 3.86Å; E123-W250 HydrophobicContact CG-CZ3 4.18Å; E123-W250 VanDerWaalsContact OE1-CA 3.27Å; E123-W250 WeakPolarHBondContact OE1-CA 2.86Å; A218-W250 HydrophobicContact CB-CH2 3.58Å; A218-W250 HydrophobicContact CB-CZ2 3.67Å; A218-W250 HydrophobicContact CB-CZ3 4.13Å; F244-W250 AromaticContact CD1-CD1 3.8Å; F244-W250 HydrophobicContact CD1-CG 4.34Å; F244-W250 AromaticContact CD1-NE1 3.63Å; F244-W250 HydrophobicContact CD2-CB 4.11Å; F244-W250 AromaticContact CD2-CD1 3.42Å; F244-W250 VanDerWaalsContact CD2-CD1 3.42Å; F244-W250 AromaticContact CD2-CG 3.84Å; F244-W250 HydrophobicContact CD2-CG 3.84Å; F244-W250 HydrophobicContact CE1-CD2 4.47Å; F244-W250 HydrophobicContact CE1-CG 4.43Å; F244-W250 HydrophobicContact CE2-CB 3.99Å; F244-W250 AromaticContact CE2-CD1 3.98Å; F244-W250 AromaticContact CE2-CG 3.93Å; F244-W250 HydrophobicContact CE2-CG 3.93Å; F244-W250 AromaticContact CG-CD1 3.31Å; F244-W250 HydrophobicContact CG-CG 4.05Å; F244-W250 AromaticContact CG-NE1 3.54Å; F244-W250 HydrophobicContact CZ-CG 4.24Å; K246-W250 PolarHBondContact O-NE1 3.44Å; P247-W250 PolarHBondContact O-N 2.82Å; P247-W250 VanDerWaalsContact O-N 3.14Å; W250-F254 HydrophobicContact CB-CD1 4.14Å; W250-F254 HydrophobicContact CD2-CD1 4.12Å; W250-F254 HydrophobicContact CD2-CE1 4.09Å; W250-F254 AromaticContact CE3-CD1 3.7Å; W250-F254 HydrophobicContact CE3-CD1 3.7Å; W250-F254 AromaticContact CE3-CE1 3.65Å; W250-F254 HydrophobicContact CE3-CE1 3.65Å; W250-F254 HydrophobicContact CG-CD1 4.31Å; W250-F254 HydrophobicContact CZ3-CD1 4.48Å; W250-F254 HydrophobicContact CZ3-CE1 4.06Å
251S98.6Very high98Very high40 Ų4063.8 Ų63.828%0.2832%0.319SS..  trans-70.2157.6179.972.30000113.1E123 D253 F254 T255E123-S251 PolarHBondContact OE1-N 3.3Å; E123-S251 VanDerWaalsContact OE2-CB 3.24Å; E123-S251 WeakPolarHBondContact OE2-CB 3.45Å; E123-S251 PolarHBondContact OE2-OG 3.23Å; S251-D253 PolarHBondContact O-N 3.17Å; S251-F254 PolarHBondContact O-N 3.17Å; S251-F254 WeakPolarHBondContact OG-CB 3.32Å; S251-F254 PolarHBondContact OG-N 2.97Å; S251-T255 VanDerWaalsContact O-CB 3.27Å; S251-T255 WeakPolarHBondContact O-CB 3.3Å; S251-T255 PolarHBondContact O-N 3.12Å; S251-T255 PolarHBondContact O-OG1 3.36Å
252D98.6Very high98.1Very high147 Ų14761.2 Ų61.279%0.78630%0.303SS*.Hα-helixtrans-59.1-37170.6-70-50.9000111.6T255 D256D252-T255 PolarHBondContact O-N 3.33Å; D252-D256 WeakPolarHBondContact O-CB 3.44Å; D252-D256 PolarHBondContact O-N 3.15Å
253D98.7Very high98.1Very high57 Ų5761.7 Ų61.731%0.30531%0.305SS..Hα-helixtrans-65.2-46.3177.8-91.7-2.9000111.4S251 F257 H278 P279 F280 Q283S251-D253 PolarHBondContact O-N 3.17Å; D253-F257 WeakPolarHBondContact O-CB 3.36Å; D253-F257 PolarHBondContact O-N 2.98Å; D253-H278 VanDerWaalsContact CA-CE1 3.47Å; D253-H278 WeakPolarHBondContact CA-CE1 3.43Å; D253-H278 PolarHBondContact O-CE1 2.91Å; D253-P279 VanDerWaalsContact CG-CB 3.46Å; D253-P279 VanDerWaalsContact OD1-CB 3.3Å; D253-P279 WeakPolarHBondContact OD1-CB 3.4Å; D253-P279 VanDerWaalsContact OD2-CB 3.27Å; D253-P279 WeakPolarHBondContact OD2-CB 3.46Å; D253-F280 HydrophobicContact CB-CB 4.23Å; D253-Q283 PolarHBondContact OD2-NE2 2.95Å
254F98.8Very high98Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-68-39.5176.4-172-155.9000111.7E123 I126 A218 F244 W250 S251 F257 V258 F280E123-F254 HydrophobicContact CG-CB 4.39Å; E123-F254 HydrophobicContact CG-CD1 3.63Å; E123-F254 HydrophobicContact CG-CE1 4.17Å; E123-F254 HydrophobicContact CG-CG 4.24Å; E123-F254 WeakPolarHBondContact OE2-CB 3.38Å; I126-F254 HydrophobicContact CD1-CE1 4.2Å; I126-F254 HydrophobicContact CD1-CZ 3.95Å; I126-F254 HydrophobicContact CG2-CE2 3.86Å; I126-F254 HydrophobicContact CG2-CZ 3.84Å; A218-F254 HydrophobicContact CB-CE1 4.06Å; A218-F254 HydrophobicContact CB-CZ 4.19Å; F244-F254 HydrophobicContact CE1-CD1 4.4Å; F244-F254 AromaticContact CE1-CE1 3.78Å; F244-F254 HydrophobicContact CE1-CE1 3.78Å; F244-F254 AromaticContact CE1-CZ 4Å; F244-F254 HydrophobicContact CE1-CZ 4Å; F244-F254 HydrophobicContact CE2-CD1 4.19Å; F244-F254 HydrophobicContact CE2-CE1 4.37Å; F244-F254 AromaticContact CZ-CD1 3.62Å; F244-F254 HydrophobicContact CZ-CD1 3.62Å; F244-F254 HydrophobicContact CZ-CD2 4.31Å; F244-F254 AromaticContact CZ-CE1 3.4Å; F244-F254 HydrophobicContact CZ-CE1 3.4Å; F244-F254 HydrophobicContact CZ-CE2 4.14Å; F244-F254 HydrophobicContact CZ-CG 4.08Å; F244-F254 AromaticContact CZ-CZ 3.68Å; F244-F254 HydrophobicContact CZ-CZ 3.68Å; W250-F254 HydrophobicContact CB-CD1 4.14Å; W250-F254 HydrophobicContact CD2-CD1 4.12Å; W250-F254 HydrophobicContact CD2-CE1 4.09Å; W250-F254 AromaticContact CE3-CD1 3.7Å; W250-F254 HydrophobicContact CE3-CD1 3.7Å; W250-F254 AromaticContact CE3-CE1 3.65Å; W250-F254 HydrophobicContact CE3-CE1 3.65Å; W250-F254 HydrophobicContact CG-CD1 4.31Å; W250-F254 HydrophobicContact CZ3-CD1 4.48Å; W250-F254 HydrophobicContact CZ3-CE1 4.06Å; S251-F254 PolarHBondContact O-N 3.17Å; S251-F254 WeakPolarHBondContact OG-CB 3.32Å; S251-F254 PolarHBondContact OG-N 2.97Å; F254-F257 WeakPolarHBondContact O-CB 3.33Å; F254-F257 PolarHBondContact O-N 3.16Å; F254-V258 HydrophobicContact CD2-CG2 4.03Å; F254-V258 HydrophobicContact CE2-CG2 3.82Å; F254-V258 HydrophobicContact CZ-CG2 4.5Å; F254-V258 WeakPolarHBondContact O-CG2 3.26Å; F254-V258 PolarHBondContact O-N 2.89Å; F254-F280 HydrophobicContact CB-CD2 3.82Å; F254-F280 HydrophobicContact CB-CE2 3.52Å; F254-F280 HydrophobicContact CB-CG 4.46Å; F254-F280 HydrophobicContact CB-CZ 3.92Å; F254-F280 HydrophobicContact CD1-CZ 4.31Å; F254-F280 AromaticContact CD2-CD1 3.99Å; F254-F280 HydrophobicContact CD2-CD1 3.99Å; F254-F280 HydrophobicContact CD2-CD2 4.37Å; F254-F280 AromaticContact CD2-CE1 3.31Å; F254-F280 HydrophobicContact CD2-CE1 3.31Å; F254-F280 AromaticContact CD2-CE2 3.77Å; F254-F280 HydrophobicContact CD2-CE2 3.77Å; F254-F280 HydrophobicContact CD2-CG 4.48Å; F254-F280 AromaticContact CD2-CZ 3.18Å; F254-F280 HydrophobicContact CD2-CZ 3.18Å; F254-F280 AromaticContact CE2-CE1 3.7Å; F254-F280 HydrophobicContact CE2-CE1 3.7Å; F254-F280 AromaticContact CE2-CZ 3.67Å; F254-F280 HydrophobicContact CE2-CZ 3.67Å; F254-F280 HydrophobicContact CG-CD2 4.38Å; F254-F280 HydrophobicContact CG-CE1 4.13Å; F254-F280 AromaticContact CG-CE2 3.71Å; F254-F280 HydrophobicContact CG-CE2 3.71Å; F254-F280 AromaticContact CG-CZ 3.56Å; F254-F280 HydrophobicContact CG-CZ 3.56Å; F254-F280 HydrophobicContact CZ-CZ 4.4Å
255T98.7Very high97.9Very high46 Ų4661.5 Ų61.528%0.28230%0.301SS..Hα-helixtrans-66.9-42.5-180-59.80000112S251 D252 K259S251-T255 VanDerWaalsContact O-CB 3.27Å; S251-T255 WeakPolarHBondContact O-CB 3.3Å; S251-T255 PolarHBondContact O-N 3.12Å; S251-T255 PolarHBondContact O-OG1 3.36Å; D252-T255 PolarHBondContact O-N 3.33Å; T255-K259 VanDerWaalsContact O-CB 3.26Å; T255-K259 WeakPolarHBondContact O-CB 3.36Å; T255-K259 PolarHBondContact O-N 3.17Å; T255-K259 VanDerWaalsContact O-N 3.08Å
256D98.8Very high97.7Very high36 Ų3656.5 Ų56.519%0.19329%0.286CS..Hα-helixtrans-72.4-31.5174-166.875.2000112.2D252 K259 K260 H278D252-D256 WeakPolarHBondContact O-CB 3.44Å; D252-D256 PolarHBondContact O-N 3.15Å; D256-K259 PolarHBondContact O-N 3.27Å; D256-K259 IonicContact OD1-NZ 2.77Å; D256-K259 PolarHBondContact OD1-NZ 3.31Å; D256-K260 WeakPolarHBondContact O-CB 3.41Å; D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 2.81Å; D256-K260 IonicContact OD1-NZ 3.35Å; D256-K260 WeakPolarHBondContact OD2-CE 3.49Å; D256-K260 IonicContact OD2-NZ 2.68Å; D256-K260 PolarHBondContact OD2-NZ 3.45Å; D256-H278 WeakPolarHBondContact CB-NE2 3.33Å; D256-H278 PolarHBondContact O-NE2 3.36Å; D256-H278 IonicContact OD2-NE2 3.18Å; D256-H278 PolarHBondContact OD2-NE2 2.83Å
257F98.9Very high97.7Very high0 Ų058.5 Ų58.50%030%0.302CS..Hα-helixtrans-57.2-54.6171175.6-93.7000111.4L130 L134 L210 D253 F254 K259 K260 C261 L275 H278 F280 I281L130-F257 HydrophobicContact CD1-CD1 4.46Å; L130-F257 HydrophobicContact CD1-CE1 3.73Å; L130-F257 HydrophobicContact CD1-CZ 4.19Å; L134-F257 HydrophobicContact CD1-CE2 4.07Å; L134-F257 HydrophobicContact CD1-CZ 4.18Å; L210-F257 HydrophobicContact CD2-CZ 4.34Å; D253-F257 WeakPolarHBondContact O-CB 3.36Å; D253-F257 PolarHBondContact O-N 2.98Å; F254-F257 WeakPolarHBondContact O-CB 3.33Å; F254-F257 PolarHBondContact O-N 3.16Å; F257-K259 VanDerWaalsContact C-N 3.29Å; F257-K259 PolarHBondContact O-N 3.48Å; F257-K260 PolarHBondContact O-N 2.92Å; F257-C261 PolarHBondContact O-N 2.66Å; F257-C261 VanDerWaalsContact O-N 3.08Å; F257-L275 HydrophobicContact CD2-CD2 4.05Å; F257-L275 HydrophobicContact CE2-CB 4.1Å; F257-L275 HydrophobicContact CE2-CD1 4.47Å; F257-L275 HydrophobicContact CE2-CD2 3.89Å; F257-L275 HydrophobicContact CE2-CG 4.38Å; F257-H278 HydrophobicContact CD2-CB 4.14Å; F257-H278 AromaticContact CD2-CG 3.98Å; F257-H278 PolarHBondContact N-CE1 3.01Å; F257-H278 PolarHBondContact N-NE2 2.83Å; F257-F280 HydrophobicContact CB-CB 4.08Å; F257-F280 HydrophobicContact CB-CD1 4.01Å; F257-F280 HydrophobicContact CB-CG 4.29Å; F257-F280 HydrophobicContact CD1-CD1 4.01Å; F257-F280 HydrophobicContact CD1-CE1 4.33Å; F257-F280 HydrophobicContact CD2-CD1 4.24Å; F257-F280 HydrophobicContact CG-CB 4.48Å; F257-F280 AromaticContact CG-CD1 3.8Å; F257-F280 HydrophobicContact CG-CD1 3.8Å; F257-I281 HydrophobicContact CD2-CD1 4.23Å; F257-I281 HydrophobicContact CD2-CG1 3.75Å; F257-I281 HydrophobicContact CE2-CD1 3.74Å; F257-I281 HydrophobicContact CE2-CG1 3.39Å; F257-I281 HydrophobicContact CZ-CD1 3.99Å; F257-I281 HydrophobicContact CZ-CG1 4.15Å
258V98.9Very high97.7Very high5 Ų562.6 Ų62.63%0.0332%0.315CS..Hα-helixtrans-59.7-40.4178.9170.80000111.3I215 F244 F254 K260 C261 L262I215-V258 HydrophobicContact CD1-CG1 3.96Å; I215-V258 HydrophobicContact CG1-CG1 3.98Å; F244-V258 HydrophobicContact CE2-CG2 4.42Å; F244-V258 HydrophobicContact CZ-CG2 3.82Å; F254-V258 HydrophobicContact CD2-CG2 4.03Å; F254-V258 HydrophobicContact CE2-CG2 3.82Å; F254-V258 HydrophobicContact CZ-CG2 4.5Å; F254-V258 WeakPolarHBondContact O-CG2 3.26Å; F254-V258 PolarHBondContact O-N 2.89Å; V258-K260 VanDerWaalsContact C-N 3.34Å; V258-K260 PolarHBondContact O-N 3.05Å; V258-C261 WeakPolarHBondContact O-CB 3.33Å; V258-C261 PolarHBondContact O-N 2.82Å; V258-L262 HydrophobicContact CG1-CD1 3.63Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.48Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.1Å
259K98.8Very high97.8Very high136 Ų13656.7 Ų56.759%0.59129%0.287SS*.Hα-helixtrans-64.4-31.3175.3172179.7154.1-136.20113.8T255 D256 F257 V263T255-K259 VanDerWaalsContact O-CB 3.26Å; T255-K259 WeakPolarHBondContact O-CB 3.36Å; T255-K259 PolarHBondContact O-N 3.17Å; T255-K259 VanDerWaalsContact O-N 3.08Å; D256-K259 PolarHBondContact O-N 3.27Å; D256-K259 IonicContact OD1-NZ 2.77Å; D256-K259 PolarHBondContact OD1-NZ 3.31Å; F257-K259 VanDerWaalsContact C-N 3.29Å; F257-K259 PolarHBondContact O-N 3.48Å; K259-V263 WeakPolarHBondContact O-CG2 3.31Å
260K98.8Very high97.9Very high88 Ų8852 Ų5238%0.38327%0.268SS..Hα-helixtrans-76.5-28.3174.3-67.3-81.6171.355.30112.4D256 F257 V258 A270 L275D256-K260 WeakPolarHBondContact O-CB 3.41Å; D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 2.81Å; D256-K260 IonicContact OD1-NZ 3.35Å; D256-K260 WeakPolarHBondContact OD2-CE 3.49Å; D256-K260 IonicContact OD2-NZ 2.68Å; D256-K260 PolarHBondContact OD2-NZ 3.45Å; F257-K260 PolarHBondContact O-N 2.92Å; V258-K260 VanDerWaalsContact C-N 3.34Å; V258-K260 PolarHBondContact O-N 3.05Å; K260-A270 HydrophobicContact CB-CB 4.44Å; K260-L275 HydrophobicContact CB-CD2 3.96Å
261C98.8Very high97.9Very high0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-72.8-45.6169.9-66.30000112.3I207 F257 V258 V263 R269 L275I207-C261 HydrophobicContact CG2-CB 4.26Å; I207-C261 WeakPolarHBondContact O-CB 3.46Å; F257-C261 PolarHBondContact O-N 2.66Å; F257-C261 VanDerWaalsContact O-N 3.08Å; V258-C261 WeakPolarHBondContact O-CB 3.33Å; V258-C261 PolarHBondContact O-N 2.82Å; C261-V263 VanDerWaalsContact C-N 3.27Å; C261-V263 PolarHBondContact O-N 3.23Å; C261-V263 VanDerWaalsContact O-N 3.12Å; C261-R269 VanDerWaalsContact O-CD 3.24Å; C261-R269 WeakPolarHBondContact O-CD 3.27Å; C261-R269 VanDerWaalsContact O-CG 3.29Å; C261-R269 WeakPolarHBondContact O-CG 3.24Å; C261-L275 VanDerWaalsContact SG-CD1 3.55Å
262L98.7Very high97.9Very high2 Ų250.2 Ų50.21%0.0126%0.261CS..  trans-88.940.4-171.6-60178.8000114W208 I212 I215 P241 P242 V258W208-L262 HydrophobicContact CD2-CD2 3.71Å; W208-L262 HydrophobicContact CE3-CB 4.26Å; W208-L262 HydrophobicContact CE3-CD2 3.98Å; W208-L262 HydrophobicContact CG-CD2 4.08Å; W208-L262 HydrophobicContact CZ2-CD2 4.29Å; W208-L262 HydrophobicContact CZ3-CB 4.11Å; W208-L262 HydrophobicContact CZ3-CD2 4.36Å; W208-L262 WeakPolarHBondContact CZ3-O 3.48Å; W208-L262 WeakPolarHBondContact O-CD2 3.27Å; I212-L262 HydrophobicContact CD1-CD1 4.32Å; I212-L262 HydrophobicContact CD1-CD2 3.76Å; I212-L262 HydrophobicContact CG1-CD2 3.94Å; I215-L262 HydrophobicContact CD1-CD1 3.89Å; P241-L262 HydrophobicContact CB-CB 4.12Å; P241-L262 WeakPolarHBondContact CB-O 3.3Å; P241-L262 WeakPolarHBondContact CG-O 3.47Å; P242-L262 HydrophobicContact CG-CD1 4.02Å; P242-L262 WeakPolarHBondContact O-CD1 3.43Å; V258-L262 HydrophobicContact CG1-CD1 3.63Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.48Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.1Å
263V98.4Very high97.9Very high32 Ų3246.8 Ų46.819%0.19425%0.246CC..  trans-81.6122.8172.5-175.80000109.5K259 C261 Q268 R269K259-V263 WeakPolarHBondContact O-CG2 3.31Å; C261-V263 VanDerWaalsContact C-N 3.27Å; C261-V263 PolarHBondContact O-N 3.23Å; C261-V263 VanDerWaalsContact O-N 3.12Å; V263-Q268 HydrophobicContact CG1-CB 3.79Å; V263-R269 HydrophobicContact CB-CB 4.1Å; V263-R269 HydrophobicContact CB-CG 4.19Å; V263-R269 PolarHBondContact O-NE 2.83Å; V263-R269 PolarHBondContact O-NH2 3.03Å
264K95.6Very high97.9Very high62 Ų6249.8 Ų49.827%0.2726%0.258SS..SBendtrans-68.5-37-175-65.5-175.967.8178.50113.7P193 W208 P237 T238 N239 P241 P266 R269P193-K264 HydrophobicContact CG-CB 4.37Å; P193-K264 HydrophobicContact CG-CG 4.21Å; W208-K264 HydrophobicContact CH2-CG 4.02Å; W208-K264 HydrophobicContact CZ3-CG 3.83Å; P237-K264 VanDerWaalsContact C-NZ 3.3Å; P237-K264 WeakPolarHBondContact O-CE 3.41Å; P237-K264 PolarHBondContact O-NZ 3.15Å; T238-K264 PolarHBondContact O-NZ 2.74Å; N239-K264 PolarHBondContact O-NZ 2.96Å; P241-K264 HydrophobicContact CG-CD 4.37Å; P241-K264 HydrophobicContact CG-CG 4.1Å; K264-P266 WeakPolarHBondContact O-CD 3.4Å; K264-R269 PolarHBondContact O-NH2 3.02Å
265S95.3Very high97.9Very high41 Ų4149.9 Ų49.929%0.28726%0.258SS..SBendtrans-75.2119.2171.5171.80000109.1D267 Q268 R269S265-D267 VanDerWaalsContact C-N 3.32Å; S265-D267 PolarHBondContact O-N 2.95Å; S265-Q268 PolarHBondContact O-N 3.24Å; S265-R269 PolarHBondContact O-N 3.31Å
266P94.9Very high97.9Very high28 Ų2848.8 Ų48.818%0.18225%0.251CS..G310 helixtrans-64.7-36.4-178.425.5-33.6000111.8E194 V204 K264 Q268 R269E194-P266 HydrophobicContact CB-CG 4.49Å; E194-P266 HydrophobicContact CG-CB 4.41Å; E194-P266 HydrophobicContact CG-CG 4.26Å; V204-P266 HydrophobicContact CG2-CB 3.86Å; V204-P266 WeakPolarHBondContact CG2-O 3.21Å; K264-P266 WeakPolarHBondContact O-CD 3.4Å; P266-Q268 PolarHBondContact O-N 3.47Å; P266-Q268 VanDerWaalsContact O-N 3.1Å; P266-R269 WeakPolarHBondContact O-CB 3.47Å; P266-R269 PolarHBondContact O-N 3.41Å
267D94.4Very high97.8Very high148 Ų14854.1 Ų54.179%0.79127%0.274SS*.G310 helixtrans-65.3-15.4179-50.1-50.7000113.7S265S265-D267 VanDerWaalsContact C-N 3.32Å; S265-D267 PolarHBondContact O-N 2.95Å
268Q96.8Very high97.8Very high150 Ų15055 Ų5570%0.70128%0.279SS*.G310 helixtrans-106.5-3.8176.2-61.7-178.4-3.100112.9V263 S265 P266V263-Q268 HydrophobicContact CG1-CB 3.79Å; S265-Q268 PolarHBondContact O-N 3.24Å; P266-Q268 PolarHBondContact O-N 3.47Å; P266-Q268 VanDerWaalsContact O-N 3.1Å
269R98Very high97.8Very high9 Ų957.3 Ų57.33%0.03429%0.294CS..SBendtrans-80.1138.9-179.5-163-179.2-59.7146.37.4109.9E194 V204 I207 C261 V263 K264 S265 P266E194-R269 IonicContact OE1-CZ 3.75Å; E194-R269 IonicContact OE1-NH1 2.72Å; E194-R269 PolarHBondContact OE1-NH1 2.74Å; E194-R269 IonicContact OE1-NH2 2.66Å; E194-R269 PolarHBondContact OE1-NH2 3.28Å; E194-R269 IonicContact OE2-CZ 2.69Å; E194-R269 IonicContact OE2-NH1 2.77Å; E194-R269 IonicContact OE2-NH2 2.29Å; E194-R269 PolarHBondContact OE2-NH2 3.1Å; V204-R269 HydrophobicContact CB-CB 4.35Å; V204-R269 HydrophobicContact CG2-CB 4.24Å; V204-R269 VanDerWaalsContact O-CD 3.23Å; V204-R269 WeakPolarHBondContact O-CD 3.2Å; V204-R269 PolarHBondContact O-NH1 3.03Å; I207-R269 HydrophobicContact CG2-CG 4.32Å; C261-R269 VanDerWaalsContact O-CD 3.24Å; C261-R269 WeakPolarHBondContact O-CD 3.27Å; C261-R269 VanDerWaalsContact O-CG 3.29Å; C261-R269 WeakPolarHBondContact O-CG 3.24Å; V263-R269 HydrophobicContact CB-CB 4.1Å; V263-R269 HydrophobicContact CB-CG 4.19Å; V263-R269 PolarHBondContact O-NE 2.83Å; V263-R269 PolarHBondContact O-NH2 3.03Å; K264-R269 PolarHBondContact O-NH2 3.02Å; S265-R269 PolarHBondContact O-N 3.31Å; P266-R269 WeakPolarHBondContact O-CB 3.47Å; P266-R269 PolarHBondContact O-N 3.41Å
270A98.4Very high97.8Very high13 Ų1351.5 Ų51.511%0.10727%0.269CS..PPolyproline II helixtrans-65.2149-179.200000111.7I207 K260 Q274 L275I207-A270 WeakPolarHBondContact CG2-O 3.47Å; K260-A270 HydrophobicContact CB-CB 4.44Å; A270-Q274 HydrophobicContact CB-CB 4.46Å; A270-L275 HydrophobicContact CB-CD1 4.22Å; A270-L275 HydrophobicContact CB-CD2 3.84Å; A270-L275 HydrophobicContact CB-CG 3.75Å
271T98.6Very high97.8Very high53 Ų5347.3 Ų47.333%0.32525%0.25SS..PPolyproline II helixtrans-87.3163.7172.970.20000111.7V204 T273 Q274 L275V204-T271 HydrophobicContact CG1-CG2 4.26Å; T271-T273 VanDerWaalsContact C-N 3.3Å; T271-T273 PolarHBondContact O-N 2.99Å; T271-Q274 PolarHBondContact O-N 3.23Å; T271-Q274 VanDerWaalsContact O-N 3.1Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.28Å; T271-Q274 PolarHBondContact OG1-N 3.22Å; T271-L275 PolarHBondContact O-N 3.25Å
272A98.5Very high97.8Very high2 Ų250.2 Ų50.22%0.01727%0.271CS..Hα-helixtrans-52.9-47.1175.200000112.3L134 L137 E138 I207 Q274 L275 L276L134-A272 HydrophobicContact CD2-CB 4.23Å; L137-A272 HydrophobicContact CB-CB 4.11Å; E138-A272 HydrophobicContact CB-CB 3.91Å; I207-A272 HydrophobicContact CD1-CB 4.04Å; A272-Q274 VanDerWaalsContact C-N 3.32Å; A272-Q274 PolarHBondContact O-N 2.77Å; A272-L275 PolarHBondContact O-N 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.16Å
273T98.4Very high97.7Very high75 Ų7556 Ų5646%0.4630%0.298SS..Hα-helixtrans-58.8-38.4176.8-52.20000113.3E138 T271E138-T273 VanDerWaalsContact OE1-CA 3.24Å; E138-T273 WeakPolarHBondContact OE1-CA 3.42Å; E138-T273 WeakPolarHBondContact OE1-CB 3.24Å; E138-T273 WeakPolarHBondContact OE1-CG2 3.16Å; E138-T273 PolarHBondContact OE1-OG1 3.4Å; T271-T273 VanDerWaalsContact C-N 3.3Å; T271-T273 PolarHBondContact O-N 2.99Å
274Q98.6Very high97.7Very high119 Ų11955 Ų5556%0.55629%0.292SS*.Hα-helixtrans-71.4-41.8176.5-70.4168.9-16.500111.4A270 T271 A272 L276 Q277A270-Q274 HydrophobicContact CB-CB 4.46Å; T271-Q274 PolarHBondContact O-N 3.23Å; T271-Q274 VanDerWaalsContact O-N 3.1Å; T271-Q274 WeakPolarHBondContact OG1-CG 3.28Å; T271-Q274 PolarHBondContact OG1-N 3.22Å; A272-Q274 VanDerWaalsContact C-N 3.32Å; A272-Q274 PolarHBondContact O-N 2.77Å; Q274-L276 VanDerWaalsContact C-N 3.32Å; Q274-L276 PolarHBondContact O-N 3.14Å; Q274-Q277 PolarHBondContact O-N 3.39Å; Q274-Q277 VanDerWaalsContact O-N 3.11Å
275L98.8Very high97.8Very high2 Ų256.3 Ų56.31%0.0130%0.298CS..Hα-helixtrans-69.2-27.2179.5-72.5173.7000113.3L134 I207 F257 K260 C261 A270 T271 A272 Q277 H278 I281L134-L275 HydrophobicContact CD1-CB 4.04Å; L134-L275 HydrophobicContact CD2-CB 3.79Å; L134-L275 HydrophobicContact CD2-CD1 4.14Å; I207-L275 HydrophobicContact CD1-CD1 4.32Å; I207-L275 HydrophobicContact CG2-CD1 3.41Å; I207-L275 VanDerWaalsContact CG2-CD1 3.41Å; F257-L275 HydrophobicContact CD2-CD2 4.05Å; F257-L275 HydrophobicContact CE2-CB 4.1Å; F257-L275 HydrophobicContact CE2-CD1 4.47Å; F257-L275 HydrophobicContact CE2-CD2 3.89Å; F257-L275 HydrophobicContact CE2-CG 4.38Å; K260-L275 HydrophobicContact CB-CD2 3.96Å; C261-L275 VanDerWaalsContact SG-CD1 3.55Å; A270-L275 HydrophobicContact CB-CD1 4.22Å; A270-L275 HydrophobicContact CB-CD2 3.84Å; A270-L275 HydrophobicContact CB-CG 3.75Å; T271-L275 PolarHBondContact O-N 3.25Å; A272-L275 PolarHBondContact O-N 3.37Å; L275-Q277 PolarHBondContact O-N 2.86Å; L275-H278 WeakPolarHBondContact O-CB 3.44Å; L275-H278 PolarHBondContact O-N 3.47Å; L275-I281 WeakPolarHBondContact O-CB 3.48Å
276L98.8Very high98Very high23 Ų2358.7 Ų58.712%0.1231%0.312CS..THydrogen-bonded Turntrans-62-21.5169.9-75.6169.3000113.6L134 K135 E138 A272 Q274 I281L134-L276 HydrophobicContact CB-CD2 3.58Å; L134-L276 HydrophobicContact CB-CG 3.9Å; L134-L276 HydrophobicContact CD1-CD2 4.33Å; K135-L276 HydrophobicContact CG-CD1 4.11Å; K135-L276 HydrophobicContact CG-CD2 3.88Å; E138-L276 HydrophobicContact CB-CD1 4.33Å; E138-L276 VanDerWaalsContact OE2-CD1 3.32Å; E138-L276 WeakPolarHBondContact OE2-CD1 3.37Å; A272-L276 WeakPolarHBondContact O-CG 3.48Å; A272-L276 PolarHBondContact O-N 3.16Å; Q274-L276 VanDerWaalsContact C-N 3.32Å; Q274-L276 PolarHBondContact O-N 3.14Å; L276-I281 HydrophobicContact CD2-CG2 4.15Å
277Q98.6Very high98.1Very high148 Ų14859.1 Ų59.169%0.69232%0.315SS*.THydrogen-bonded Turntrans-94.9-0.5174.9-50.7-53.9-45.500113.2Q274 L275Q274-Q277 PolarHBondContact O-N 3.39Å; Q274-Q277 VanDerWaalsContact O-N 3.11Å; L275-Q277 PolarHBondContact O-N 2.86Å
278H98.9Very high98.2Very high19 Ų1954.8 Ų54.89%0.08830%0.296CS..SBendtrans-65.9142.4179.7-164.9-81.8000110.4D253 D256 F257 L275 F280 I281 S282D253-H278 VanDerWaalsContact CA-CE1 3.47Å; D253-H278 WeakPolarHBondContact CA-CE1 3.43Å; D253-H278 PolarHBondContact O-CE1 2.91Å; D256-H278 WeakPolarHBondContact CB-NE2 3.33Å; D256-H278 PolarHBondContact O-NE2 3.36Å; D256-H278 IonicContact OD2-NE2 3.18Å; D256-H278 PolarHBondContact OD2-NE2 2.83Å; F257-H278 HydrophobicContact CD2-CB 4.14Å; F257-H278 AromaticContact CD2-CG 3.98Å; F257-H278 PolarHBondContact N-CE1 3.01Å; F257-H278 PolarHBondContact N-NE2 2.83Å; L275-H278 WeakPolarHBondContact O-CB 3.44Å; L275-H278 PolarHBondContact O-N 3.47Å; H278-F280 VanDerWaalsContact C-N 3.27Å; H278-F280 PolarHBondContact ND1-N 3.49Å; H278-F280 PolarHBondContact O-N 3.33Å; H278-I281 PolarHBondContact O-N 3.47Å; H278-S282 WeakPolarHBondContact O-CB 3.43Å; H278-S282 PolarHBondContact O-N 3.45Å; H278-S282 PolarHBondContact O-OG 2.87Å
279P98.6Very high98.3Very high54 Ų5450.3 Ų50.335%0.35128%0.276SS..Hα-helixtrans-45.9-47177.4-34.838.2000114.4D253 I281 S282 Q283D253-P279 VanDerWaalsContact CG-CB 3.46Å; D253-P279 VanDerWaalsContact OD1-CB 3.3Å; D253-P279 WeakPolarHBondContact OD1-CB 3.4Å; D253-P279 VanDerWaalsContact OD2-CB 3.27Å; D253-P279 WeakPolarHBondContact OD2-CB 3.46Å; P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 3.25Å; P279-S282 WeakPolarHBondContact CA-OG 3.46Å; P279-S282 PolarHBondContact O-OG 3.41Å; P279-S282 VanDerWaalsContact O-OG 3.13Å; P279-Q283 VanDerWaalsContact O-CB 3.27Å; P279-Q283 WeakPolarHBondContact O-CB 3.4Å; P279-Q283 VanDerWaalsContact O-CG 3.26Å; P279-Q283 WeakPolarHBondContact O-CG 3.44Å; P279-Q283 PolarHBondContact O-N 3.48Å; P279-Q283 PolarHBondContact O-NE2 3.46Å; P279-Q283 VanDerWaalsContact O-NE2 3.07Å
280F98.8Very high98.3Very high14 Ų1449.9 Ų49.96%0.06127%0.274CS..Hα-helixtrans-57.1-43.8178.8-173.3-118.4000113E123 I126 A127 L130 D253 F254 F257 H278 A284E123-F280 HydrophobicContact CB-CE2 4.06Å; E123-F280 HydrophobicContact CB-CZ 4.49Å; E123-F280 HydrophobicContact CG-CE2 4.27Å; I126-F280 HydrophobicContact CG2-CE1 4.15Å; I126-F280 HydrophobicContact CG2-CZ 4.06Å; A127-F280 HydrophobicContact CB-CD1 4.16Å; A127-F280 HydrophobicContact CB-CD2 4.31Å; A127-F280 HydrophobicContact CB-CE1 3.78Å; A127-F280 HydrophobicContact CB-CE2 3.94Å; A127-F280 HydrophobicContact CB-CG 4.4Å; A127-F280 HydrophobicContact CB-CZ 3.66Å; L130-F280 HydrophobicContact CD1-CE1 4Å; D253-F280 HydrophobicContact CB-CB 4.23Å; F254-F280 HydrophobicContact CB-CD2 3.82Å; F254-F280 HydrophobicContact CB-CE2 3.52Å; F254-F280 HydrophobicContact CB-CG 4.46Å; F254-F280 HydrophobicContact CB-CZ 3.92Å; F254-F280 HydrophobicContact CD1-CZ 4.31Å; F254-F280 AromaticContact CD2-CD1 3.99Å; F254-F280 HydrophobicContact CD2-CD1 3.99Å; F254-F280 HydrophobicContact CD2-CD2 4.37Å; F254-F280 AromaticContact CD2-CE1 3.31Å; F254-F280 HydrophobicContact CD2-CE1 3.31Å; F254-F280 AromaticContact CD2-CE2 3.77Å; F254-F280 HydrophobicContact CD2-CE2 3.77Å; F254-F280 HydrophobicContact CD2-CG 4.48Å; F254-F280 AromaticContact CD2-CZ 3.18Å; F254-F280 HydrophobicContact CD2-CZ 3.18Å; F254-F280 AromaticContact CE2-CE1 3.7Å; F254-F280 HydrophobicContact CE2-CE1 3.7Å; F254-F280 AromaticContact CE2-CZ 3.67Å; F254-F280 HydrophobicContact CE2-CZ 3.67Å; F254-F280 HydrophobicContact CG-CD2 4.38Å; F254-F280 HydrophobicContact CG-CE1 4.13Å; F254-F280 AromaticContact CG-CE2 3.71Å; F254-F280 HydrophobicContact CG-CE2 3.71Å; F254-F280 AromaticContact CG-CZ 3.56Å; F254-F280 HydrophobicContact CG-CZ 3.56Å; F254-F280 HydrophobicContact CZ-CZ 4.4Å; F257-F280 HydrophobicContact CB-CB 4.08Å; F257-F280 HydrophobicContact CB-CD1 4.01Å; F257-F280 HydrophobicContact CB-CG 4.29Å; F257-F280 HydrophobicContact CD1-CD1 4.01Å; F257-F280 HydrophobicContact CD1-CE1 4.33Å; F257-F280 HydrophobicContact CD2-CD1 4.24Å; F257-F280 HydrophobicContact CG-CB 4.48Å; F257-F280 AromaticContact CG-CD1 3.8Å; F257-F280 HydrophobicContact CG-CD1 3.8Å; H278-F280 VanDerWaalsContact C-N 3.27Å; H278-F280 PolarHBondContact ND1-N 3.49Å; H278-F280 PolarHBondContact O-N 3.33Å; F280-A284 PolarHBondContact O-N 3.2Å
281I98.8Very high98.2Very high0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-84.6-41-175.7-58.8-59.6000111.7L130 K131 L134 F257 L275 L276 H278 P279 Q283 A284L130-I281 HydrophobicContact CB-CD1 3.69Å; L130-I281 HydrophobicContact CD1-CD1 4.42Å; K131-I281 HydrophobicContact CB-CG2 3.88Å; K131-I281 HydrophobicContact CD-CG2 4.47Å; K131-I281 VanDerWaalsContact CD-O 3.24Å; K131-I281 WeakPolarHBondContact CD-O 3.39Å; K131-I281 WeakPolarHBondContact CE-O 3.49Å; K131-I281 HydrophobicContact CG-CG2 3.89Å; K131-I281 PolarHBondContact NZ-O 2.95Å; L134-I281 HydrophobicContact CD1-CB 4.44Å; L134-I281 HydrophobicContact CD1-CD1 3.94Å; L134-I281 HydrophobicContact CD1-CG1 3.75Å; L134-I281 HydrophobicContact CD1-CG2 3.95Å; F257-I281 HydrophobicContact CD2-CD1 4.23Å; F257-I281 HydrophobicContact CD2-CG1 3.75Å; F257-I281 HydrophobicContact CE2-CD1 3.74Å; F257-I281 HydrophobicContact CE2-CG1 3.39Å; F257-I281 HydrophobicContact CZ-CD1 3.99Å; F257-I281 HydrophobicContact CZ-CG1 4.15Å; L275-I281 WeakPolarHBondContact O-CB 3.48Å; L276-I281 HydrophobicContact CD2-CG2 4.15Å; H278-I281 PolarHBondContact O-N 3.47Å; P279-I281 VanDerWaalsContact C-N 3.35Å; P279-I281 PolarHBondContact O-N 3.25Å; I281-Q283 VanDerWaalsContact C-N 3.33Å; I281-Q283 PolarHBondContact O-N 3.44Å; I281-A284 WeakPolarHBondContact O-CB 3.44Å; I281-A284 PolarHBondContact O-N 2.96Å
282S97.8Very high98Very high61 Ų6159.7 Ų59.743%0.42731%0.312SS..Hα-helixtrans-61.3-41.9177.957.40000111.6K131 H278 P279 A284K131-S282 PolarHBondContact NZ-O 2.86Å; H278-S282 WeakPolarHBondContact O-CB 3.43Å; H278-S282 PolarHBondContact O-N 3.45Å; H278-S282 PolarHBondContact O-OG 2.87Å; P279-S282 WeakPolarHBondContact CA-OG 3.46Å; P279-S282 PolarHBondContact O-OG 3.41Å; P279-S282 VanDerWaalsContact O-OG 3.13Å; S282-A284 PolarHBondContact O-N 2.91Å
283Q96.9Very high97.9Very high124 Ų12459.7 Ų59.758%0.57931%0.312SS*.THydrogen-bonded Turntrans-77-13.5177.6-65.9176.884.800115D253 P279 I281D253-Q283 PolarHBondContact OD2-NE2 2.95Å; P279-Q283 VanDerWaalsContact O-CB 3.27Å; P279-Q283 WeakPolarHBondContact O-CB 3.4Å; P279-Q283 VanDerWaalsContact O-CG 3.26Å; P279-Q283 WeakPolarHBondContact O-CG 3.44Å; P279-Q283 PolarHBondContact O-N 3.48Å; P279-Q283 PolarHBondContact O-NE2 3.46Å; P279-Q283 VanDerWaalsContact O-NE2 3.07Å; I281-Q283 VanDerWaalsContact C-N 3.33Å; I281-Q283 PolarHBondContact O-N 3.44Å
284A98.3Very high97.9Very high9 Ų956.1 Ų56.17%0.07429%0.29CS..PPolyproline II helixtrans-57.9143.8-174.600000113.6A127 K131 F280 I281 S282A127-A284 VanDerWaalsContact C-CB 3.46Å; A127-A284 HydrophobicContact CB-CB 3.45Å; A127-A284 VanDerWaalsContact CB-CB 3.45Å; A127-A284 WeakPolarHBondContact O-CB 3.37Å; K131-A284 HydrophobicContact CD-CB 3.86Å; K131-A284 PolarHBondContact NZ-O 2.29Å; F280-A284 PolarHBondContact O-N 3.2Å; I281-A284 WeakPolarHBondContact O-CB 3.44Å; I281-A284 PolarHBondContact O-N 2.96Å; S282-A284 PolarHBondContact O-N 2.91Å
285K98.3Very high97.8Very high90 Ų9053.3 Ų53.339%0.39128%0.281SS..PPolyproline II helixtrans-67.1168.7-170-51.1-56.5-162.2-88.70113.2D124 T128 I289D124-K285 HydrophobicContact CB-CG 4.06Å; D124-K285 WeakPolarHBondContact OD1-CE 3.19Å; D124-K285 WeakPolarHBondContact OD1-CG 3.3Å; D124-K285 IonicContact OD1-NZ 2.64Å; D124-K285 PolarHBondContact OD1-NZ 3.35Å; D124-K285 WeakPolarHBondContact OD2-CE 3.33Å; D124-K285 IonicContact OD2-NZ 3.87Å; D124-K285 PolarHBondContact OD2-NZ 3.41Å; T128-K285 PolarHBondContact OG1-N 3.38Å; T128-K285 PolarHBondContact OG1-O 3.19Å; K285-I289 HydrophobicContact CB-CD1 3.87Å; K285-I289 HydrophobicContact CB-CG1 4.12Å; K285-I289 HydrophobicContact CB-CG2 3.85Å; K285-I289 HydrophobicContact CG-CD1 4.07Å; K285-I289 HydrophobicContact CG-CG2 4.32Å
286P98.1Very high97.6Very high91 Ų9155.6 Ų55.659%0.59129%0.292SS*.PPolyproline II helixtrans-66.7149.7168.2-17.632.2000111.7S288 I289P286-S288 PolarHBondContact O-N 2.34Å; P286-I289 PolarHBondContact O-N 3Å; P286-I289 VanDerWaalsContact O-N 3.15Å
287V97.1Very high97.5Very high38 Ų3854.6 Ų54.623%0.2329%0.287CS..G310 helixtrans-53.2-19-179.5-630000115.1T128 G161 I289 L290T128-V287 HydrophobicContact CG2-CG1 4.28Å; G161-V287 WeakPolarHBondContact O-CG1 3.27Å; V287-I289 PolarHBondContact O-N 2.74Å; V287-I289 VanDerWaalsContact O-N 3.13Å; V287-L290 WeakPolarHBondContact O-CB 3.41Å; V287-L290 PolarHBondContact O-N 3.2Å
288S97.7Very high97.3Very high56 Ų5650.6 Ų50.639%0.39227%0.269SS..G310 helixtrans-57.5-23.2175.953.50000114.2P286 L290 R291P286-S288 PolarHBondContact O-N 2.34Å; S288-L290 PolarHBondContact O-N 3.31Å; S288-R291 WeakPolarHBondContact O-CB 3.41Å; S288-R291 WeakPolarHBondContact O-CG 3.45Å; S288-R291 PolarHBondContact O-N 2.99Å
289I98.2Very high97.1Very high56 Ų5655.8 Ų55.829%0.28729%0.293SS..G310 helixtrans-68.6-22.7175.867.8153.5000113.1D124 E125 T128 K285 P286 V287 R291D124-I289 HydrophobicContact CB-CD1 3.87Å; D124-I289 WeakPolarHBondContact O-CD1 3.34Å; E125-I289 HydrophobicContact CG-CD1 4.49Å; T128-I289 HydrophobicContact CG2-CG1 4.33Å; K285-I289 HydrophobicContact CB-CD1 3.87Å; K285-I289 HydrophobicContact CB-CG1 4.12Å; K285-I289 HydrophobicContact CB-CG2 3.85Å; K285-I289 HydrophobicContact CG-CD1 4.07Å; K285-I289 HydrophobicContact CG-CG2 4.32Å; P286-I289 PolarHBondContact O-N 3Å; P286-I289 VanDerWaalsContact O-N 3.15Å; V287-I289 PolarHBondContact O-N 2.74Å; V287-I289 VanDerWaalsContact O-N 3.13Å; I289-R291 PolarHBondContact O-N 3.32Å
290L98.3Very high96.8Very high0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-78.3-8.4-178.8-57.1-179.5000112.3E125 T128 I129 L157 V287 S288 D292 L293 I294E125-L290 HydrophobicContact CB-CD2 3.89Å; E125-L290 HydrophobicContact CG-CD2 4Å; T128-L290 HydrophobicContact CG2-CD1 4.08Å; T128-L290 HydrophobicContact CG2-CG 4.17Å; I129-L290 HydrophobicContact CD1-CD2 4.35Å; I129-L290 HydrophobicContact CG1-CD1 3.85Å; I129-L290 HydrophobicContact CG1-CD2 4.22Å; L157-L290 HydrophobicContact CD2-CD1 3.95Å; V287-L290 WeakPolarHBondContact O-CB 3.41Å; V287-L290 PolarHBondContact O-N 3.2Å; S288-L290 PolarHBondContact O-N 3.31Å; L290-D292 PolarHBondContact O-N 3.36Å; L290-L293 PolarHBondContact O-N 3.36Å; L290-I294 HydrophobicContact CB-CD1 4.01Å; L290-I294 WeakPolarHBondContact O-CB 3.4Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 2.88Å
291R96.3Very high96.5Very high144 Ų14458 Ų5854%0.54330%0.299SS..Hα-helixtrans-62.4-40.5-174.5-73177174-176.9-4.4113.2S288 I289 I294 T295S288-R291 WeakPolarHBondContact O-CB 3.41Å; S288-R291 WeakPolarHBondContact O-CG 3.45Å; S288-R291 PolarHBondContact O-N 2.99Å; I289-R291 PolarHBondContact O-N 3.32Å; R291-I294 PolarHBondContact O-N 3.11Å; R291-T295 WeakPolarHBondContact O-CB 3.25Å; R291-T295 PolarHBondContact O-N 3.34Å; R291-T295 PolarHBondContact O-OG1 3.06Å
292D94.9Very high96.1Very high128 Ų12860.1 Ų60.168%0.68432%0.316SS*.Hα-helixtrans-71.8-41.8-177.5-57.7-8.9000109.9L290 I294 T295 E296L290-D292 PolarHBondContact O-N 3.36Å; D292-I294 PolarHBondContact O-N 3.29Å; D292-T295 PolarHBondContact O-N 2.82Å; D292-E296 VanDerWaalsContact O-CB 3.27Å; D292-E296 WeakPolarHBondContact O-CB 3.36Å; D292-E296 PolarHBondContact O-N 3.06Å
293L96.4Very high95.7Very high2 Ų262.7 Ų62.71%0.0132%0.32CS..Hα-helixtrans-57.8-43170.1161.2162.6000112.6I113 L121 E125 L157 L290 A297I113-L293 HydrophobicContact CD1-CD2 4.12Å; I113-L293 HydrophobicContact CG2-CD1 4.24Å; I113-L293 HydrophobicContact CG2-CD2 3.69Å; I113-L293 HydrophobicContact CG2-CG 3.76Å; L121-L293 HydrophobicContact CD1-CD1 4.48Å; L121-L293 HydrophobicContact CD2-CD1 3.56Å; E125-L293 HydrophobicContact CB-CD1 4.41Å; E125-L293 HydrophobicContact CG-CD1 4.1Å; E125-L293 WeakPolarHBondContact OE1-CD1 3.38Å; L157-L293 HydrophobicContact CD1-CD2 4.47Å; L290-L293 PolarHBondContact O-N 3.36Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 2.89Å; L293-A297 VanDerWaalsContact O-N 3.14Å
294I97.1Very high95.3Very high1 Ų162 Ų621%0.00531%0.312CS..Hα-helixtrans-71.3-43.9-179.5-76.7166.2000110.5A107 L157 L290 R291 D292 A297 M298A107-I294 HydrophobicContact CB-CB 4.45Å; A107-I294 HydrophobicContact CB-CG1 3.95Å; A107-I294 HydrophobicContact CB-CG2 3.92Å; L157-I294 HydrophobicContact CB-CD1 4.5Å; L290-I294 HydrophobicContact CB-CD1 4.01Å; L290-I294 WeakPolarHBondContact O-CB 3.4Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.47Å; L290-I294 PolarHBondContact O-N 2.88Å; R291-I294 PolarHBondContact O-N 3.11Å; D292-I294 PolarHBondContact O-N 3.29Å; I294-A297 PolarHBondContact O-N 3.4Å; I294-M298 HydrophobicContact CG2-CE 3.61Å; I294-M298 HydrophobicContact CG2-CG 4.43Å; I294-M298 HydrophobicContact CG2-SD 3.94Å; I294-M298 WeakPolarHBondContact O-CB 3.22Å; I294-M298 VanDerWaalsContact O-CG 3.28Å; I294-M298 WeakPolarHBondContact O-CG 3.4Å; I294-M298 PolarHBondContact O-N 3.36Å
295T96.5Very high94.7Very high60 Ų6064.6 Ų64.637%0.36832%0.322SS..Hα-helixtrans-62.2-51.1177.9-550000110.4R291 D292 A297 M298 E299R291-T295 WeakPolarHBondContact O-CB 3.25Å; R291-T295 PolarHBondContact O-N 3.34Å; R291-T295 PolarHBondContact O-OG1 3.06Å; D292-T295 PolarHBondContact O-N 2.82Å; T295-A297 VanDerWaalsContact C-N 3.29Å; T295-A297 PolarHBondContact O-N 2.77Å; T295-M298 PolarHBondContact O-N 3.08Å; T295-E299 HydrophobicContact CG2-CG 4.29Å; T295-E299 WeakPolarHBondContact CG2-OE1 3.46Å; T295-E299 WeakPolarHBondContact O-CB 3.21Å; T295-E299 WeakPolarHBondContact O-CG 3.43Å; T295-E299 PolarHBondContact O-N 3.12Å
296E95.8Very high94.1Very high49 Ų4966.1 Ų66.123%0.22933%0.331CS..Hα-helixtrans-57.2-40177.6-179.3-178.6-170.700112.3R117 K119 D292 M300R117-E296 HydrophobicContact CG-CG 4.22Å; R117-E296 IonicContact CZ-OE2 2.65Å; R117-E296 IonicContact NE-OE2 2.63Å; R117-E296 PolarHBondContact NE-OE2 2.91Å; R117-E296 IonicContact NH2-OE2 2.76Å; R117-E296 PolarHBondContact NH2-OE2 3.31Å; K119-E296 IonicContact NZ-OE1 2.75Å; K119-E296 PolarHBondContact NZ-OE1 3.48Å; K119-E296 IonicContact NZ-OE2 2.68Å; D292-E296 VanDerWaalsContact O-CB 3.27Å; D292-E296 WeakPolarHBondContact O-CB 3.36Å; D292-E296 PolarHBondContact O-N 3.06Å; E296-M300 HydrophobicContact CG-CE 3.38Å; E296-M300 WeakPolarHBondContact O-CE 3.35Å; E296-M300 PolarHBondContact O-N 2.71Å; E296-M300 VanDerWaalsContact O-N 3.15Å
297A95.6Very high93.6Very high2 Ų265.5 Ų65.52%0.01732%0.32CS..Hα-helixtrans-71.2-41.3177.300000113I113 L116 R117 L293 I294 T295 M300 K301I113-A297 HydrophobicContact CB-CB 4.37Å; I113-A297 HydrophobicContact CG1-CB 4Å; I113-A297 HydrophobicContact CG2-CB 4.15Å; L116-A297 HydrophobicContact CD1-CB 4.47Å; R117-A297 HydrophobicContact CG-CB 4.23Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 2.89Å; L293-A297 VanDerWaalsContact O-N 3.14Å; I294-A297 PolarHBondContact O-N 3.4Å; T295-A297 VanDerWaalsContact C-N 3.29Å; T295-A297 PolarHBondContact O-N 2.77Å; A297-M300 PolarHBondContact O-N 3.33Å; A297-K301 PolarHBondContact O-N 2.98Å
298M94.4Very high93Very high65 Ų6569.2 Ų69.232%0.3234%0.335SS..Hα-helixtrans-69.2-39.6178-70.2-175.9-47.400112.1T159 I294 T295 K301 A302T159-M298 HydrophobicContact CG2-SD 3.91Å; I294-M298 HydrophobicContact CG2-CE 3.61Å; I294-M298 HydrophobicContact CG2-CG 4.43Å; I294-M298 HydrophobicContact CG2-SD 3.94Å; I294-M298 WeakPolarHBondContact O-CB 3.22Å; I294-M298 VanDerWaalsContact O-CG 3.28Å; I294-M298 WeakPolarHBondContact O-CG 3.4Å; I294-M298 PolarHBondContact O-N 3.36Å; T295-M298 PolarHBondContact O-N 3.08Å; M298-K301 PolarHBondContact O-N 2.88Å; M298-A302 WeakPolarHBondContact O-CB 3.35Å; M298-A302 PolarHBondContact O-N 2.97Å
299E94.8Very high92.1Very high128 Ų12871.4 Ų71.460%0.59834%0.339SS*.Hα-helixtrans-61.2-45.7173.7-74.2177.2174.100111.1T295 K301 A302 K303T295-E299 HydrophobicContact CG2-CG 4.29Å; T295-E299 WeakPolarHBondContact CG2-OE1 3.46Å; T295-E299 WeakPolarHBondContact O-CB 3.21Å; T295-E299 WeakPolarHBondContact O-CG 3.43Å; T295-E299 PolarHBondContact O-N 3.12Å; E299-K301 PolarHBondContact O-N 2.66Å; E299-A302 PolarHBondContact O-N 2.97Å; E299-K303 VanDerWaalsContact O-CB 3.3Å; E299-K303 WeakPolarHBondContact O-CB 3.35Å; E299-K303 PolarHBondContact O-N 2.87Å
300M93.7Very high91.3Very high55 Ų5575.9 Ų75.927%0.27135%0.352SS..Hα-helixtrans-67.1-32174.5-89-175.5-82.200113.6R117 E296 A297 R304R117-M300 HydrophobicContact CB-CE 4.34Å; R117-M300 HydrophobicContact CG-CE 4.14Å; E296-M300 HydrophobicContact CG-CE 3.38Å; E296-M300 WeakPolarHBondContact O-CE 3.35Å; E296-M300 PolarHBondContact O-N 2.71Å; E296-M300 VanDerWaalsContact O-N 3.15Å; A297-M300 PolarHBondContact O-N 3.33Å; M300-R304 WeakPolarHBondContact O-CG 3.44Å; M300-R304 PolarHBondContact O-N 3.12Å; M300-R304 VanDerWaalsContact O-N 3.08Å
301K91.3Very high90.5Very high60 Ų6081.8 Ų81.826%0.26138%0.38SS..Hα-helixtrans-66.3-52.9173-172.8178.2175.9172.10110.8L116 A297 M298 E299 K303 R304 Q305L116-K301 HydrophobicContact CD1-CB 4.17Å; L116-K301 HydrophobicContact CD2-CB 4.24Å; A297-K301 PolarHBondContact O-N 2.98Å; M298-K301 PolarHBondContact O-N 2.88Å; E299-K301 PolarHBondContact O-N 2.66Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 PolarHBondContact O-N 2.8Å; K301-R304 PolarHBondContact O-N 3.16Å; K301-Q305 WeakPolarHBondContact O-CG 3.36Å; K301-Q305 PolarHBondContact O-N 3.36Å; K301-Q305 PolarHBondContact O-OE1 2.81Å
302A90.2Very high89.5Confident44 Ų4478.2 Ų78.236%0.36437%0.371SS..Hα-helixtrans-59.5-39.8179.100000111.9M298 E299 Q305 Q306M298-A302 WeakPolarHBondContact O-CB 3.35Å; M298-A302 PolarHBondContact O-N 2.97Å; E299-A302 PolarHBondContact O-N 2.97Å; A302-Q305 PolarHBondContact O-N 2.79Å; A302-Q306 WeakPolarHBondContact O-CG 3.45Å; A302-Q306 PolarHBondContact O-N 3.48Å
303K90.9Very high88.4Confident114 Ų11476.6 Ų76.650%0.49636%0.36SS..Hα-helixtrans-61.8-49.8174.6-172.4-175.2178.5-1330111.9E299 K301 Q305 Q306 E307E299-K303 VanDerWaalsContact O-CB 3.3Å; E299-K303 WeakPolarHBondContact O-CB 3.35Å; E299-K303 PolarHBondContact O-N 2.87Å; K301-K303 VanDerWaalsContact C-N 3.29Å; K301-K303 PolarHBondContact O-N 2.8Å; K303-Q305 PolarHBondContact O-N 3.12Å; K303-Q306 WeakPolarHBondContact O-CB 3.4Å; K303-Q306 PolarHBondContact O-N 3.14Å; K303-Q306 VanDerWaalsContact O-N 3.07Å; K303-E307 VanDerWaalsContact CE-CD 3.5Å; K303-E307 WeakPolarHBondContact CE-OE1 3.36Å; K303-E307 HydrophobicContact CG-CG 4.4Å; K303-E307 IonicContact NZ-OE1 2.75Å; K303-E307 PolarHBondContact NZ-OE1 2.87Å; K303-E307 IonicContact NZ-OE2 2.64Å; K303-E307 WeakPolarHBondContact O-CG 3.48Å; K303-E307 PolarHBondContact O-N 3.3Å
304R88.4Confident87.1Confident109 Ų10982.2 Ų82.241%0.41139%0.386SS..Hα-helixtrans-61-34.2178.5-73-178.9-163.5-174.38.6112.3L116 M300 K301 E307 Q308L116-R304 PolarHBondContact O-NH2 2.85Å; M300-R304 WeakPolarHBondContact O-CG 3.44Å; M300-R304 PolarHBondContact O-N 3.12Å; M300-R304 VanDerWaalsContact O-N 3.08Å; K301-R304 PolarHBondContact O-N 3.16Å; R304-E307 PolarHBondContact O-N 2.67Å; R304-Q308 WeakPolarHBondContact O-CB 3.24Å; R304-Q308 VanDerWaalsContact O-CG 3.29Å; R304-Q308 WeakPolarHBondContact O-CG 3.37Å; R304-Q308 PolarHBondContact O-N 3.17Å
305Q84.8Confident85.3Confident64 Ų6486.4 Ų86.430%0.29941%0.405SS..Hα-helixtrans-68.5-37.1174.9-68.3174.7-69.900112.1E34 K301 A302 K303 Q309E34-Q305 PolarHBondContact OE2-NE2 2.77Å; K301-Q305 WeakPolarHBondContact O-CG 3.36Å; K301-Q305 PolarHBondContact O-N 3.36Å; K301-Q305 PolarHBondContact O-OE1 2.81Å; A302-Q305 PolarHBondContact O-N 2.79Å; K303-Q305 PolarHBondContact O-N 3.12Å; Q305-Q309 VanDerWaalsContact O-CB 3.23Å; Q305-Q309 WeakPolarHBondContact O-CB 3.11Å; Q305-Q309 PolarHBondContact O-N 2.91Å
306Q86.6Confident83.4Confident123 Ų12386 Ų8658%0.57540%0.401SS*.Hα-helixtrans-70.4-34.5172.6-71.4174.5-1.900112.8A302 K303 R310A302-Q306 WeakPolarHBondContact O-CG 3.45Å; A302-Q306 PolarHBondContact O-N 3.48Å; K303-Q306 WeakPolarHBondContact O-CB 3.4Å; K303-Q306 PolarHBondContact O-N 3.14Å; K303-Q306 VanDerWaalsContact O-N 3.07Å; Q306-R310 VanDerWaalsContact O-CG 3.31Å; Q306-R310 WeakPolarHBondContact O-CG 3.5Å; Q306-R310 PolarHBondContact O-N 3.2Å; Q306-R310 VanDerWaalsContact O-N 3.14Å
307E87.8Confident81.3Confident77 Ų7788.8 Ų88.836%0.3642%0.417SS..Hα-helixtrans-66.1-49.6173.3-72170.9141.500110.2K303 R304 Q309 R310 E311K303-E307 VanDerWaalsContact CE-CD 3.5Å; K303-E307 WeakPolarHBondContact CE-OE1 3.36Å; K303-E307 HydrophobicContact CG-CG 4.4Å; K303-E307 IonicContact NZ-OE1 2.75Å; K303-E307 PolarHBondContact NZ-OE1 2.87Å; K303-E307 IonicContact NZ-OE2 2.64Å; K303-E307 WeakPolarHBondContact O-CG 3.48Å; K303-E307 PolarHBondContact O-N 3.3Å; R304-E307 PolarHBondContact O-N 2.67Å; E307-Q309 PolarHBondContact O-N 2.71Å; E307-R310 PolarHBondContact O-N 3.17Å; E307-E311 WeakPolarHBondContact O-CG 3.48Å; E307-E311 PolarHBondContact O-N 3.08Å
308Q83.2Confident79.2Confident117 Ų11793.9 Ų93.955%0.54744%0.444SS..Hα-helixtrans-62.9-38.2176.5-73.4177.7-33.800113.8R304 R310 E311 L312R304-Q308 WeakPolarHBondContact O-CB 3.24Å; R304-Q308 VanDerWaalsContact O-CG 3.29Å; R304-Q308 WeakPolarHBondContact O-CG 3.37Å; R304-Q308 PolarHBondContact O-N 3.17Å; Q308-R310 VanDerWaalsContact C-N 3.33Å; Q308-E311 PolarHBondContact O-N 3.4Å; Q308-L312 WeakPolarHBondContact O-CG 3.13Å; Q308-L312 PolarHBondContact O-N 2.68Å; Q308-L312 VanDerWaalsContact O-N 3.15Å
309Q79.6Confident77.1Confident101 Ų10192.4 Ų92.447%0.47244%0.44SS..Hα-helixtrans-64.7-39.4176.1-178.660.636.700111.2Q305 E307 L312 E313Q305-Q309 VanDerWaalsContact O-CB 3.23Å; Q305-Q309 WeakPolarHBondContact O-CB 3.11Å; Q305-Q309 PolarHBondContact O-N 2.91Å; E307-Q309 PolarHBondContact O-N 2.71Å; Q309-L312 PolarHBondContact O-N 3.25Å; Q309-E313 VanDerWaalsContact CG-OE1 3.3Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.48Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 VanDerWaalsContact O-CG 3.3Å; Q309-E313 WeakPolarHBondContact O-CG 3.4Å; Q309-E313 PolarHBondContact O-N 2.65Å
310R81.8Confident74.7Confident151 Ų15192.3 Ų92.357%0.5744%0.44SS*.Hα-helixtrans-72.1-35.8174.7-73.6175.8-177.1-1750.1113.6Q306 E307 Q308 L312 E313 E314Q306-R310 VanDerWaalsContact O-CG 3.31Å; Q306-R310 WeakPolarHBondContact O-CG 3.5Å; Q306-R310 PolarHBondContact O-N 3.2Å; Q306-R310 VanDerWaalsContact O-N 3.14Å; E307-R310 PolarHBondContact O-N 3.17Å; Q308-R310 VanDerWaalsContact C-N 3.33Å; R310-L312 PolarHBondContact O-N 3.33Å; R310-E313 PolarHBondContact O-N 3.2Å; R310-E314 VanDerWaalsContact O-CB 3.3Å; R310-E314 WeakPolarHBondContact O-CB 3.35Å; R310-E314 WeakPolarHBondContact O-CG 3.45Å; R310-E314 PolarHBondContact O-N 3.33Å
311E79.6Confident72.3Confident124 Ų12497.5 Ų97.558%0.57946%0.464SS*.Hα-helixtrans-60.6-33.2173.6-73.6167.3171.200110.8E307 Q308 E315E307-E311 WeakPolarHBondContact O-CG 3.48Å; E307-E311 PolarHBondContact O-N 3.08Å; Q308-E311 PolarHBondContact O-N 3.4Å; E311-E315 WeakPolarHBondContact O-CG 3.26Å; E311-E315 PolarHBondContact O-N 2.72Å
312L75.4Confident70Confident69 Ų69101 Ų10136%0.36148%0.481SS..Hα-helixtrans-75.2-40.8172.7-67165.9000113Q308 Q309 R310 E315 D316 N440Q308-L312 WeakPolarHBondContact O-CG 3.13Å; Q308-L312 PolarHBondContact O-N 2.68Å; Q308-L312 VanDerWaalsContact O-N 3.15Å; Q309-L312 PolarHBondContact O-N 3.25Å; R310-L312 PolarHBondContact O-N 3.33Å; L312-E315 PolarHBondContact O-N 3.33Å; L312-D316 PolarHBondContact O-N 2.9Å; L312-N440 HydrophobicContact CD2-CB 4.14Å
313E73.6Confident67.7Low94 Ų94104.2 Ų104.244%0.43950%0.496SS..Hα-helixtrans-67.6-41177-70.9160.8-17800112Q309 R310 E315 D316 D317Q309-E313 VanDerWaalsContact CG-OE1 3.3Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.48Å; Q309-E313 PolarHBondContact NE2-OE1 2.99Å; Q309-E313 VanDerWaalsContact O-CG 3.3Å; Q309-E313 WeakPolarHBondContact O-CG 3.4Å; Q309-E313 PolarHBondContact O-N 2.65Å; R310-E313 PolarHBondContact O-N 3.2Å; E313-E315 VanDerWaalsContact C-N 3.31Å; E313-E315 PolarHBondContact O-N 2.99Å; E313-D316 PolarHBondContact O-N 2.76Å; E313-D317 PolarHBondContact O-N 2.88Å
314E67.7Low65.4Low120 Ų120107.1 Ų107.156%0.56151%0.511SS*.Hα-helixtrans-71-22.9175.8-70.4178.7-156.100112.3R310 N318R310-E314 VanDerWaalsContact O-CB 3.3Å; R310-E314 WeakPolarHBondContact O-CB 3.35Å; R310-E314 WeakPolarHBondContact O-CG 3.45Å; R310-E314 PolarHBondContact O-N 3.33Å; E314-N318 WeakPolarHBondContact O-CB 3.37Å; E314-N318 PolarHBondContact O-N 2.86Å; E314-N318 PolarHBondContact O-ND2 3.37Å
315E60.6Low63.1Low89 Ų89108 Ų10842%0.41653%0.528SS..Hα-helixtrans-72.8-37.3168.4-83.7-169.4-173.500112.4E311 L312 E313 P438 D439E311-E315 WeakPolarHBondContact O-CG 3.26Å; E311-E315 PolarHBondContact O-N 2.72Å; L312-E315 PolarHBondContact O-N 3.33Å; E313-E315 VanDerWaalsContact C-N 3.31Å; E313-E315 PolarHBondContact O-N 2.99Å; E315-P438 HydrophobicContact CB-CB 3.96Å; E315-P438 HydrophobicContact CB-CG 4.04Å; E315-D439 PolarHBondContact OE2-N 3.41Å
316D56.5Low60.9Low50 Ų50112.2 Ų112.227%0.26755%0.553SS.*Hα-helixtrans-69.9-51.6174.7-88.4-39.2000111.4L312 E313 N318 S319 E320L312-D316 PolarHBondContact O-N 2.9Å; E313-D316 PolarHBondContact O-N 2.76Å; D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 PolarHBondContact O-N 3.35Å; D316-S319 WeakPolarHBondContact O-CA 3.41Å; D316-S319 WeakPolarHBondContact O-CB 3.5Å; D316-S319 PolarHBondContact O-N 3.49Å; D316-S319 PolarHBondContact O-OG 3.43Å; D316-E320 PolarHBondContact O-N 2.92Å
317D51.8Low58.9Low108 Ų108111.4 Ų111.458%0.57856%0.561SS**Hα-helixtrans-55.5-40.4-179.3-87.7-3000112.5E313 S319 E320 E321E313-D317 PolarHBondContact O-N 2.88Å; D317-S319 PolarHBondContact O-N 3.19Å; D317-E320 PolarHBondContact O-N 3.43Å; D317-E321 PolarHBondContact O-N 3.17Å
318N49.9Very low56.5Low110 Ų110116.1 Ų116.159%0.58858%0.583SS**Hα-helixtrans-69.7-15.3177.5-85.4-89.1000113.5E314 D316E314-N318 WeakPolarHBondContact O-CB 3.37Å; E314-N318 PolarHBondContact O-N 2.86Å; E314-N318 PolarHBondContact O-ND2 3.37Å; D316-N318 VanDerWaalsContact C-N 3.3Å; D316-N318 PolarHBondContact O-N 3.35Å
319S51.9Low54.1Low33 Ų33116.8 Ų116.823%0.23160%0.595CS.*Hα-helixtrans-82.8-24.4173.780.50000112.5D316 D317D316-S319 WeakPolarHBondContact O-CA 3.41Å; D316-S319 WeakPolarHBondContact O-CB 3.5Å; D316-S319 PolarHBondContact O-N 3.49Å; D316-S319 PolarHBondContact O-OG 3.43Å; D317-S319 PolarHBondContact O-N 3.19Å
320E44.4Very low51.9Low126 Ų126120.1 Ų120.159%0.58961%0.612SS**Hα-helixtrans-80.7-47.3176.8-60-160.1160.500112.2D316 D317 E322 T323D316-E320 PolarHBondContact O-N 2.92Å; D317-E320 PolarHBondContact O-N 3.43Å; E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.63Å; E320-T323 WeakPolarHBondContact O-CB 3.39Å; E320-T323 PolarHBondContact O-N 3.38Å; E320-T323 PolarHBondContact O-OG1 3.43Å
321E42Very low49.5Very low165 Ų165119.1 Ų119.177%0.77162%0.623SS**Hα-helixtrans-63.5-25.1-174.3-77.7-155.5159.300114.6D317 T323D317-E321 PolarHBondContact O-N 3.17Å; E321-T323 PolarHBondContact O-N 3.08Å
322E43.2Very low47.3Very low134 Ų134122.6 Ų122.663%0.62664%0.636SS**THydrogen-bonded Turntrans-72.8-2.1175-71.3-158.3159.700113.6E320 K434E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.63Å; E322-K434 IonicContact OE1-NZ 3.83Å; E322-K434 PolarHBondContact OE1-NZ 2.75Å; E322-K434 IonicContact OE2-NZ 2.95Å
323T42.4Very low45.1Very low110 Ų110124.9 Ų124.968%0.67566%0.658SS**THydrogen-bonded Turntrans-95.8-22.7-17668.70000116.3E320 E321E320-T323 WeakPolarHBondContact O-CB 3.39Å; E320-T323 PolarHBondContact O-N 3.38Å; E320-T323 PolarHBondContact O-OG1 3.43Å; E321-T323 PolarHBondContact O-N 3.08Å
324E41.7Very low42.9Very low176 Ų176123.8 Ų123.882%0.82267%0.672SS**SBendtrans-941.2-170.3-76-136.7126.400116.3
325V40.8Very low41Very low127 Ų127123 Ų12377%0.7768%0.68SS**  trans-110.341-167.1-68.20000117.6
326D38.9Very low39.5Very low153 Ų153127.7 Ų127.782%0.81870%0.702SS**SBendtrans-142.568.7151.8-166.415.1000113.7
327S43.5Very low38.2Very low106 Ų106129.3 Ų129.374%0.74173%0.73SS**  trans-154.658.5169-87.30000114.9
328H37.9Very low37.1Very low176 Ų176129.5 Ų129.582%0.81575%0.747SS**  trans179.5116.7137.2-93.6-30.6000114.4
329T32.3Very low36Very low131 Ų131128.1 Ų128.180%0.80476%0.759SS**  trans-151.494.7141.7-74.40000109.6V331T329-V331 HydrophobicContact CG2-CG2 4.01Å
330M33.6Very low34.8Very low170 Ų170133.1 Ų133.184%0.83779%0.788SS**  trans-83.2122.6166.7-89.2-153.7-66.300110.4
331V31.3Very low34.1Very low131 Ų131135.5 Ų135.579%0.79480%0.801SS**  trans-108.4132.6165.3-172.10000108.5T329T329-V331 HydrophobicContact CG2-CG2 4.01Å
332K34.3Very low33.4Very low196 Ų196138.8 Ų138.885%0.85281%0.806SS**  trans-134.6100.5-166.5-169.3176.7-176.3175.80114.3
333S28.4Very low32.7Very low117 Ų117136 Ų13682%0.81881%0.807SS**  trans-167.3146.5166.552.20000109.5
334G27.4Very low32Very low72 Ų72136.7 Ų136.774%0.74281%0.81SS**  cis170.8123.7-8.500000112.9
335S28.8Very low31.2Very low104 Ų104133.4 Ų133.473%0.72781%0.807SS**  trans74.7144.2168.1-131.40000122.1
336E29.4Very low30.6Very low187 Ų187133.4 Ų133.487%0.87481%0.807SS**  trans62.7134.2151.3-75.3152-100.200123.9
337G28.3Very low30.2Very low83 Ų83133.5 Ų133.586%0.85681%0.805SS**  trans150.3100.1166.100000114.6
338A28.1Very low29.6Very low113 Ų113132.8 Ų132.893%0.93480%0.8SS**  trans-82152.8-172.800000115.5
339G27.8Very low29.1Very low81 Ų81131.9 Ų131.984%0.83580%0.801SS**  trans-170.2119170.100000113.7
340T27.4Very low28.9Very low137 Ų137128.9 Ų128.984%0.8480%0.797SS**  trans-106.9145.3-175.8-630000111.9
341M29.5Very low28.7Very low177 Ų177125.4 Ų125.487%0.87280%0.795SS**  trans-172.2161.4137.8-101.3-61-107.100113.3
342R27.1Very low28.5Very low234 Ų234128.1 Ų128.188%0.88380%0.799SS**  trans-113.2-175.8172.8-65.3176.3158.1176.9-6.8108.9
343A28.7Very low28.3Very low76 Ų76126 Ų12663%0.62880%0.802SS**  cis-168.117519.500000114.2
344T25.9Very low28.2Very low123 Ų123128.6 Ų128.676%0.75580%0.803SS**  trans63.4120.1149.747.30000120.3
345S26.4Very low28.3Very low108 Ų108133 Ų13376%0.75581%0.808SS**  80.2137.682.9-52.40000113.3
346T28.3Very low28.1Very low126 Ų126135.4 Ų135.477%0.77381%0.808SS**  cis-157152.144.948.40000115.6
347M29.7Very low28.1Very low155 Ų155134.6 Ų134.676%0.76480%0.804SS**  trans25119.5132.3-47.3-75.276.800119.1
348S30.9Very low28Very low91 Ų91134.3 Ų134.364%0.63680%0.801SS**  76.1150.568.884.60000113.9
349D28.6Very low27.9Very low157 Ų157134.4 Ų134.484%0.8480%0.795SS**  cis-152.2-17917.9-83.6-69.2000110.3
350G27.6Very low28Very low69 Ų69137 Ų13771%0.71180%0.795SS**  cis164.9161.8-5.300000114.6
351A29.1Very low27.9Very low97 Ų97138.8 Ų138.880%0.80280%0.795SS**  trans57111.1159.800000125.7
352Q27.7Very low27.9Very low188 Ų188137.3 Ų137.388%0.87979%0.79SS**  37.4134.8128.2-62.4-180-15.700125
353T29.5Very low28Very low150 Ų150134.5 Ų134.592%0.9279%0.787SS**  -165.4172.5123.460000112.7
354M26.4Very low28.1Very low172 Ų172135.7 Ų135.785%0.84779%0.791SS**  trans-126166.3-174.6-54.2-163.2-47.300113.5
355I28.8Very low28.2Very low165 Ų165137.6 Ų137.685%0.84680%0.797SS**  162.5153.2126.5-83.8161000111.7
356E25.1Very low28.3Very low154 Ų154140 Ų14072%0.7280%0.8SS**  trans-76.4-173.6178.2-55.7172.887.700112.6
357H29.7Very low28.3Very low171 Ų171137.8 Ų137.879%0.79280%0.803SS**  cis-168.4163.122.9-135.817.6000107.7
358G25Very low28.3Very low76 Ų76136.4 Ų136.478%0.78480%0.803SS**  trans164.1112.916800000116.9
359S25.7Very low28.2Very low115 Ų115140.9 Ų140.980%0.80482%0.816SS**  trans-105.3149.8-168.8-50.80000115.6
360T30Very low28.1Very low137 Ų137139.4 Ų139.484%0.8481%0.813SS**  trans-172.2118.1139.533.30000108.2
361M27Very low28.2Very low173 Ų173143.2 Ų143.285%0.85282%0.815SS**  83.4142.264.8-81-70.9-168.400114.6
362L29Very low28Very low146 Ų146145.8 Ų145.876%0.76482%0.816SS**  trans75.8138.1177.9-57.1179000116
363E28.2Very low28Very low175 Ų175140.9 Ų140.982%0.81880%0.802SS**  cis-152.3167.9-10.4-157.6150.8-158.100111.2
364S30.5Very low28Very low101 Ų101140.6 Ų140.671%0.70680%0.795SS**  trans-109.2145-178.856.80000112.1
365D28.1Very low28.1Very low164 Ų164139 Ų13988%0.87779%0.789SS**  trans-129.9106.6168.5-140.3-18.3000110.8
366L29.2Very low28.2Very low157 Ų157139 Ų13982%0.82279%0.786SS**  trans-129.692.8-179.5-96.8168.9000108.6T368L366-T368 PolarHBondContact O-N 3.33Å
367G28.9Very low28.5Very low81 Ų81138.8 Ų138.884%0.83579%0.785SS**  trans-6899.1-176.700000113.1
368T28.5Very low28.4Very low126 Ų126138.4 Ų138.477%0.77378%0.784SS**  trans-77.7133.7170-60.30000110.2L366 V370L366-T368 PolarHBondContact O-N 3.33Å; T368-V370 HydrophobicContact CG2-CG2 4.18Å
369M29Very low28.7Very low184 Ų184142.8 Ų142.891%0.90678%0.784SS**  trans-102.8130.6173.1-170.6174.5-72.100110.4
370V27.6Very low28.8Very low127 Ų127145.6 Ų145.677%0.7778%0.784SS**  trans-125.3145.2177.8179.10000108.8T368T368-V370 HydrophobicContact CG2-CG2 4.18Å
371I28.7Very low28.8Very low149 Ų149144.8 Ų144.876%0.76477%0.774SS**  trans-92.8138-173.8-60.3168.7000110.7
372N26.1Very low28.8Very low151 Ų151144.5 Ų144.581%0.80777%0.771SS**  trans162.6149.1148.2-84.7-8000108.7
373S27.1Very low28.9Very low84 Ų84141.5 Ų141.559%0.58778%0.775SS**  cis-173.4141.6-2547.80000108.9
374D29.3Very low28.9Very low144 Ų144139 Ų13977%0.7778%0.777SS**  trans71166.7156.8-48.1-30.5000121.3
375D29.6Very low29Very low138 Ų138142.9 Ų142.974%0.73879%0.786SS**  trans67.5111.8174.1-52.9-13.3000117.7
376E30.4Very low29.1Very low167 Ų167146.8 Ų146.878%0.7879%0.789SS**  73.2136.484-69.8178.8177.700113.1
377E30.3Very low29.2Very low149 Ų149150.9 Ų150.970%0.69679%0.793SS**  cis-161.4159.64.8-121.2177.2171.800109.8
378E29.6Very low29.2Very low163 Ų163155.2 Ų155.276%0.76280%0.797SS**  trans55.4163.9155.8-59.5-174.615500120.1
379E29.8Very low29.4Very low168 Ų168153.8 Ų153.879%0.78580%0.798SS**  cis-146.6-159.5-1.2-143-174.6-168.300111.4
380E28.6Very low29.5Very low174 Ų174151.4 Ų151.481%0.81379%0.794SS**  trans-70.6172-175.1-54.9-177.7146.800113.8
381D29.7Very low29.8Very low119 Ų119151.2 Ų151.264%0.63680%0.796SS**  cis-176.5169.444.8-17622.9000112.8
382Q27.6Very low30.1Very low168 Ų168153.1 Ų153.179%0.78580%0.802SS**  trans27.1126.5157.1-85.6161.282.600122.7
383G30.4Very low30.5Very low82 Ų82154.5 Ų154.585%0.84580%0.803SS**  trans-99.1153.9170.300000115.6
384S29.2Very low31.1Very low124 Ų124156.4 Ų156.487%0.86781%0.814SS**  trans-155.4144.7164.3-168.80000112
385M31.2Very low31.8Very low181 Ų181157.6 Ų157.689%0.89282%0.818SS**  trans-78.8128.4-176.9-58.8178.9-167.200112.3
386R30.6Very low32.8Very low246 Ų246156.7 Ų156.793%0.92880%0.804SS**  trans-134.7133.6150.9-73.4-163.3170.7-169.5-2.2111.8
387R31.7Very low33.8Very low243 Ų243153 Ų15392%0.91780%0.795SS**  trans-83.6139.5175.4-61.9173.4177.9167.9-2.5109.5
388N29.4Very low34.4Very low172 Ų172150.8 Ų150.892%0.9280%0.796SS**  trans-132.7143.9148.4-99.5-21.1000107.5
389A32Very low35.3Very low96 Ų96149.7 Ų149.779%0.79379%0.789SS**  trans-119.9127.7-169.600000111.4
390T30.4Very low36.3Very low134 Ų134146.5 Ų146.582%0.82278%0.775SS**  trans-147.2113.9167.3-43.50000107.7Q392T390-Q392 PolarHBondContact O-N 2.91Å
391P34.7Very low37.5Very low124 Ų124141.4 Ų141.481%0.80575%0.754SS**  trans-80.2101.8-175.630.6-32.8000110.8
392Q33.6Very low38.4Very low189 Ų189142.8 Ų142.888%0.88375%0.751SS**PPolyproline II helixtrans-66.9132.4156.1-71.5178.6-20.700108.2T390T390-Q392 PolarHBondContact O-N 2.91Å
393Q36Very low39.3Very low180 Ų180138 Ų13884%0.84173%0.727SS**PPolyproline II helixtrans-76.4139.6176-68.3-166.4-1.100110.3I395Q393-I395 PolarHBondContact O-N 3.06Å
394P38.7Very low40.6Very low124 Ų124137.9 Ų137.981%0.80571%0.708SS**PPolyproline II helixtrans-67.3129.6173.228.8-33.6000109.8R396P394-R396 PolarHBondContact O-N 3.42Å
395I44.2Very low41.5Very low168 Ų168138.5 Ų138.586%0.86269%0.694SS**  trans-67.3114.2177.2-62172.8000108.3Q393 P397Q393-I395 PolarHBondContact O-N 3.06Å; I395-P397 WeakPolarHBondContact O-CD 3.24Å
396R50.8Low42.4Very low120 Ų120134.1 Ų134.145%0.45367%0.672SS.*  trans-76.7122.8175.6-165.9-174.3-158.8-159.14.1109.2P394 M400 D401 D404P394-R396 PolarHBondContact O-N 3.42Å; R396-M400 HydrophobicContact CG-CB 3.89Å; R396-M400 HydrophobicContact CG-CG 4.33Å; R396-D401 IonicContact CZ-OD1 2.7Å; R396-D401 IonicContact NE-OD1 2.71Å; R396-D401 IonicContact NH1-OD1 3.87Å; R396-D401 PolarHBondContact NH1-OD1 3.49Å; R396-D404 IonicContact CZ-OD2 2.75Å; R396-D404 IonicContact NH1-OD2 2.7Å; R396-D404 PolarHBondContact NH1-OD2 2.96Å; R396-D404 VanDerWaalsContact NH2-CG 3.31Å; R396-D404 IonicContact NH2-OD1 3.83Å; R396-D404 PolarHBondContact NH2-OD1 3.24Å; R396-D404 VanDerWaalsContact NH2-OD1 3.1Å; R396-D404 IonicContact NH2-OD2 3.66Å; R396-D404 PolarHBondContact NH2-OD2 3.23Å
397P51.5Low43.1Very low89 Ų89127.5 Ų127.558%0.57866%0.655SS**  trans-65.1137172.1-21.234.1000110.9I395 F399 M400I395-P397 WeakPolarHBondContact O-CD 3.24Å; P397-F399 PolarHBondContact O-N 3.43Å; P397-F399 VanDerWaalsContact O-N 3.12Å; P397-M400 VanDerWaalsContact O-CB 3.26Å; P397-M400 WeakPolarHBondContact O-CB 3.29Å; P397-M400 PolarHBondContact O-N 3.12Å
398S41.9Very low43.7Very low103 Ų103119.2 Ų119.272%0.7263%0.634SS**THydrogen-bonded Turntrans-59.9-25.4-173.752.80000114.7M400 D401S398-M400 PolarHBondContact O-N 3Å; S398-D401 WeakPolarHBondContact O-CB 3.44Å; S398-D401 PolarHBondContact O-N 3.15Å; S398-D401 VanDerWaalsContact O-N 3.14Å
399F49.2Very low44.4Very low139 Ų139116.5 Ų116.561%0.6162%0.62SS**THydrogen-bonded Turntrans-56.6-30.7172175.9-130.9000112.9P397 D401 Y402 F403P397-F399 PolarHBondContact O-N 3.43Å; P397-F399 VanDerWaalsContact O-N 3.12Å; F399-D401 PolarHBondContact O-N 3.28Å; F399-Y402 VanDerWaalsContact O-CB 3.27Å; F399-Y402 WeakPolarHBondContact O-CB 3.46Å; F399-Y402 PolarHBondContact O-N 2.89Å; F399-Y402 VanDerWaalsContact O-N 3.11Å; F399-F403 HydrophobicContact CD1-CE2 4.29Å; F399-F403 HydrophobicContact CD2-CE2 4.44Å; F399-F403 AromaticContact CE1-CE2 3.67Å; F399-F403 HydrophobicContact CE1-CE2 3.67Å; F399-F403 HydrophobicContact CE1-CZ 4.23Å; F399-F403 AromaticContact CE2-CE2 3.83Å; F399-F403 HydrophobicContact CE2-CE2 3.83Å; F399-F403 HydrophobicContact CE2-CZ 4.02Å; F399-F403 AromaticContact CZ-CE2 3.41Å; F399-F403 HydrophobicContact CZ-CE2 3.41Å; F399-F403 VanDerWaalsContact CZ-CE2 3.41Å; F399-F403 AromaticContact CZ-CZ 3.58Å; F399-F403 HydrophobicContact CZ-CZ 3.58Å
400M51Low45.3Very low101 Ų101117.9 Ų117.950%0.49861%0.608SS.*Hα-helixtrans-64.1-29.5179.2-145.984177.700112.4R396 P397 S398 Y402 F403R396-M400 HydrophobicContact CG-CB 3.89Å; R396-M400 HydrophobicContact CG-CG 4.33Å; P397-M400 VanDerWaalsContact O-CB 3.26Å; P397-M400 WeakPolarHBondContact O-CB 3.29Å; P397-M400 PolarHBondContact O-N 3.12Å; S398-M400 PolarHBondContact O-N 3Å; M400-Y402 PolarHBondContact O-N 3.19Å; M400-F403 PolarHBondContact O-N 3.14Å
401D53.3Low45.8Very low68 Ų68114.6 Ų114.636%0.36460%0.595SS.*Hα-helixtrans-76.2-6.2179-54.2-34.1000113R396 S398 F399 K405R396-D401 IonicContact CZ-OD1 2.7Å; R396-D401 IonicContact NE-OD1 2.71Å; R396-D401 IonicContact NH1-OD1 3.87Å; R396-D401 PolarHBondContact NH1-OD1 3.49Å; S398-D401 WeakPolarHBondContact O-CB 3.44Å; S398-D401 PolarHBondContact O-N 3.15Å; S398-D401 VanDerWaalsContact O-N 3.14Å; F399-D401 PolarHBondContact O-N 3.28Å; D401-K405 WeakPolarHBondContact O-CD 3.49Å; D401-K405 WeakPolarHBondContact O-CG 3.36Å
402Y49.1Very low46.1Very low148 Ų148112.3 Ų112.358%0.5859%0.586SS**Hα-helixtrans-79.5-39.7172.4-168.7-89.3000111.5F399 M400 K405F399-Y402 VanDerWaalsContact O-CB 3.27Å; F399-Y402 WeakPolarHBondContact O-CB 3.46Å; F399-Y402 PolarHBondContact O-N 2.89Å; F399-Y402 VanDerWaalsContact O-N 3.11Å; M400-Y402 PolarHBondContact O-N 3.19Å; Y402-K405 PolarHBondContact O-N 3.11Å
403F47.2Very low46.4Very low67 Ų67111.3 Ų111.329%0.29458%0.581SS.*Hα-helixtrans-71.3-42.7179.9-69.7-63.4000112.9F399 M400 K405 Q406 D407F399-F403 HydrophobicContact CD1-CE2 4.29Å; F399-F403 HydrophobicContact CD2-CE2 4.44Å; F399-F403 AromaticContact CE1-CE2 3.67Å; F399-F403 HydrophobicContact CE1-CE2 3.67Å; F399-F403 HydrophobicContact CE1-CZ 4.23Å; F399-F403 AromaticContact CE2-CE2 3.83Å; F399-F403 HydrophobicContact CE2-CE2 3.83Å; F399-F403 HydrophobicContact CE2-CZ 4.02Å; F399-F403 AromaticContact CZ-CE2 3.41Å; F399-F403 HydrophobicContact CZ-CE2 3.41Å; F399-F403 VanDerWaalsContact CZ-CE2 3.41Å; F399-F403 AromaticContact CZ-CZ 3.58Å; F399-F403 HydrophobicContact CZ-CZ 3.58Å; M400-F403 PolarHBondContact O-N 3.14Å; F403-K405 PolarHBondContact O-N 3.33Å; F403-Q406 PolarHBondContact O-N 2.7Å; F403-D407 PolarHBondContact O-N 3.33Å
404D56.6Low46.5Very low80 Ų80110.9 Ų110.943%0.42858%0.579SS.*Hα-helixtrans-54.3-31.7177-67-3.9000112.2R396 S408R396-D404 IonicContact CZ-OD2 2.75Å; R396-D404 IonicContact NH1-OD2 2.7Å; R396-D404 PolarHBondContact NH1-OD2 2.96Å; R396-D404 VanDerWaalsContact NH2-CG 3.31Å; R396-D404 IonicContact NH2-OD1 3.83Å; R396-D404 PolarHBondContact NH2-OD1 3.24Å; R396-D404 VanDerWaalsContact NH2-OD1 3.1Å; R396-D404 IonicContact NH2-OD2 3.66Å; R396-D404 PolarHBondContact NH2-OD2 3.23Å; D404-S408 WeakPolarHBondContact O-CB 3.38Å; D404-S408 PolarHBondContact O-N 3.09Å; D404-S408 PolarHBondContact O-OG 3.29Å
405K48.3Very low46.5Very low136 Ų136113.8 Ų113.859%0.59158%0.582SS**Hα-helixtrans-76.7-25.9177.7-69.7172.3-175163.90113.7D401 Y402 F403 S408 N409D401-K405 WeakPolarHBondContact O-CD 3.49Å; D401-K405 WeakPolarHBondContact O-CG 3.36Å; Y402-K405 PolarHBondContact O-N 3.11Å; F403-K405 PolarHBondContact O-N 3.33Å; K405-S408 WeakPolarHBondContact CA-OG 3.39Å; K405-S408 PolarHBondContact O-OG 3.27Å; K405-N409 WeakPolarHBondContact O-CB 3.23Å; K405-N409 VanDerWaalsContact O-CG 3.31Å; K405-N409 PolarHBondContact O-N 3Å; K405-N409 PolarHBondContact O-ND2 2.83Å
406Q50.2Low46.2Very low89 Ų89114.3 Ų114.342%0.41658%0.581SS.*Hα-helixtrans-77-43173.4-73.2-165.7-13.600111.7F403 N409 K410F403-Q406 PolarHBondContact O-N 2.7Å; Q406-N409 PolarHBondContact O-N 2.8Å; Q406-K410 PolarHBondContact O-N 2.67Å; Q406-K410 VanDerWaalsContact O-N 3.08Å
407D45.7Very low45.3Very low107 Ų107116.1 Ų116.157%0.57260%0.6SS**Hα-helixtrans-71.4-35.8-178.6-75.7-19.8000112.4F403 K410 A411F403-D407 PolarHBondContact O-N 3.33Å; D407-K410 PolarHBondContact O-N 3.19Å; D407-A411 PolarHBondContact O-N 3.08Å
408S44Very low44.2Very low69 Ų69122.9 Ų122.948%0.48362%0.615SS.*Hα-helixtrans-65.7-36.3172.5480000113.1D404 K405 A411 A412D404-S408 WeakPolarHBondContact O-CB 3.38Å; D404-S408 PolarHBondContact O-N 3.09Å; D404-S408 PolarHBondContact O-OG 3.29Å; K405-S408 WeakPolarHBondContact CA-OG 3.39Å; K405-S408 PolarHBondContact O-OG 3.27Å; S408-A411 PolarHBondContact O-N 3.18Å; S408-A412 PolarHBondContact O-N 3.08Å
409N45.2Very low43.6Very low116 Ų116125.6 Ų125.662%0.6262%0.622SS**Hα-helixtrans-66.4-36.5172.3-80.8-21.5000112.7K405 Q406 A412K405-N409 WeakPolarHBondContact O-CB 3.23Å; K405-N409 VanDerWaalsContact O-CG 3.31Å; K405-N409 PolarHBondContact O-N 3Å; K405-N409 PolarHBondContact O-ND2 2.83Å; Q406-N409 PolarHBondContact O-N 2.8Å; N409-A412 PolarHBondContact O-N 2.62Å
410K49.2Very low42.8Very low124 Ų124128.5 Ų128.554%0.53964%0.637SS.*Hα-helixtrans-67.7-37.7174.7-73.7173.7-178.8169.60112.5Q406 D407 A412 Q413Q406-K410 PolarHBondContact O-N 2.67Å; Q406-K410 VanDerWaalsContact O-N 3.08Å; D407-K410 PolarHBondContact O-N 3.19Å; K410-A412 VanDerWaalsContact C-N 3.31Å; K410-A412 PolarHBondContact O-N 3.12Å; K410-Q413 PolarHBondContact O-N 3.1Å
411A42.5Very low41.7Very low66 Ų66131.5 Ų131.555%0.54566%0.655SS.*Hα-helixtrans-62.8-36.8176.900000112.6D407 S408 Q413 Q414D407-A411 PolarHBondContact O-N 3.08Å; S408-A411 PolarHBondContact O-N 3.18Å; A411-Q413 VanDerWaalsContact C-N 3.3Å; A411-Q413 PolarHBondContact O-N 2.91Å; A411-Q414 PolarHBondContact O-N 3.38Å
412A40.5Very low40.5Very low75 Ų75137.4 Ų137.462%0.6268%0.68SS**Hα-helixtrans-66.1-27-179.100000114.1S408 N409 K410S408-A412 PolarHBondContact O-N 3.08Å; N409-A412 PolarHBondContact O-N 2.62Å; K410-A412 VanDerWaalsContact C-N 3.31Å; K410-A412 PolarHBondContact O-N 3.12Å
413Q40.3Very low39.9Very low168 Ų168135.8 Ų135.879%0.78569%0.688SS**THydrogen-bonded Turntrans-83.5-8.4-176.5-69.9-176.2-21.100114.4K410 A411K410-Q413 PolarHBondContact O-N 3.1Å; A411-Q413 VanDerWaalsContact C-N 3.3Å; A411-Q413 PolarHBondContact O-N 2.91Å
414Q38.4Very low38.8Very low172 Ų172140.8 Ų140.880%0.80472%0.717SS**THydrogen-bonded Turntrans-91.25.4-175.9-67.3-169.4-8.500114.9A411A411-Q414 PolarHBondContact O-N 3.38Å
415Q37.5Very low37.8Very low184 Ų184146.3 Ų146.386%0.8674%0.74SS**SBendtrans-105-4.2-175.5-114.1176.43.700116.3
416E38.8Very low36.8Very low180 Ų180148.6 Ų148.684%0.84175%0.753SS**SBendtrans-125.574.5175.7-69-162.814900112.8
417N32Very low35.7Very low158 Ų158149.2 Ų149.285%0.84577%0.765SS**  trans-175.8107.2140.4-106.1-65.6000111.5
418Y28Very low34.9Very low230 Ų230147.9 Ų147.990%0.90278%0.776SS**  trans-146.379.2171.9-115.2-83.9000110.3
419N29.3Very low34.1Very low161 Ų161154.8 Ų154.886%0.86179%0.794SS**  trans-178.189153.5-98.5-35.5000112.8
420Q31Very low33.3Very low199 Ų199157.5 Ų157.593%0.9380%0.802SS**  -174.5132.5127.3-103170.119.500111
421N29Very low32.4Very low164 Ų164158.9 Ų158.988%0.87781%0.814SS**  trans-108.6123173.1-78.8-38.8000109.2
422Q27.6Very low31.8Very low192 Ų192163.7 Ų163.790%0.89783%0.825SS**  -176.5160.6119.4-100.7-172.79.600111.3
423P36.4Very low31.6Very low115 Ų115165.4 Ų165.475%0.74783%0.833SS**  trans-88.9147.4-158.234.3-36.3000114.4
424L24.9Very low31.5Very low171 Ų171163.7 Ų163.790%0.89582%0.822SS**  trans-131.9131.2159.5-82.8164.7000107.8
425E35.6Very low31.7Very low196 Ų196159.8 Ų159.892%0.91681%0.807SS**  trans-73.3134.6178.1-61.6177.7136.600110.4
426Q26.1Very low32.3Very low184 Ų184156 Ų15686%0.8680%0.796SS**  trans-140.3153.4166.6-81.4-150.69.900110.1
427P28.5Very low33Very low102 Ų102149.7 Ų149.766%0.66277%0.766SS**  trans-72.9146.8-156.827.5-35.7000113.6Y429P427-Y429 PolarHBondContact O-N 3.39Å; P427-Y429 VanDerWaalsContact O-N 3.17Å
428G28.9Very low34.3Very low79 Ų79142.3 Ų142.381%0.81473%0.727SS**  trans-70.2107.9175.300000111.6H430G428-H430 PolarHBondContact O-N 3.21Å
429Y25.8Very low35.6Very low215 Ų215135.1 Ų135.184%0.84370%0.704SS**  trans-66.399.3166.3-84.9-93.6000110P427 I431P427-Y429 PolarHBondContact O-N 3.39Å; P427-Y429 VanDerWaalsContact O-N 3.17Å; Y429-I431 PolarHBondContact O-N 2.81Å
430H28.5Very low37.2Very low173 Ų173130.1 Ų130.180%0.80168%0.677SS**  trans-70.1104158.1-109.843.4000107.9G428 Q432G428-H430 PolarHBondContact O-N 3.21Å; H430-Q432 VanDerWaalsContact C-N 3.26Å; H430-Q432 PolarHBondContact O-N 2.85Å
431I30.1Very low38.9Very low153 Ų153121.8 Ų121.879%0.78564%0.638SS**  trans-73.590.5163.4-59.2178.3000106.4Y429 S433Y429-I431 PolarHBondContact O-N 2.81Å; I431-S433 PolarHBondContact O-N 3.49Å
432Q29.9Very low40.7Very low166 Ų166117.9 Ų117.978%0.77661%0.613SS**  trans-70.6105.4161.2-74.5-176.3-46.500107.2H430 K434H430-Q432 VanDerWaalsContact C-N 3.26Å; H430-Q432 PolarHBondContact O-N 2.85Å; Q432-K434 PolarHBondContact O-N 2.87Å
433S36Very low42.8Very low112 Ų112112.4 Ų112.478%0.78359%0.592SS**  trans-70.780.9170.1550000109.6I431I431-S433 PolarHBondContact O-N 3.49Å
434K38.7Very low44.6Very low131 Ų131108.6 Ų108.657%0.5757%0.567SS**  trans-58.3148.4160.8-84.9-170.3168.8-161.50109.1E322 Q432 V436E322-K434 IonicContact OE1-NZ 3.83Å; E322-K434 PolarHBondContact OE1-NZ 2.75Å; E322-K434 IonicContact OE2-NZ 2.95Å; Q432-K434 PolarHBondContact O-N 2.87Å; K434-V436 PolarHBondContact O-N 3.26Å
435N43.9Very low46.8Very low91 Ų91109.7 Ų109.749%0.48757%0.568SS.*  trans-68.8125.4160.4-80.3-10.7000108.2R473N435-R473 PolarHBondContact OD1-NH1 2.9Å
436V50.3Low48.5Very low104 Ų104106.7 Ų106.763%0.6356%0.558SS**SBendtrans-88.8-15.7174.2-178.10000111.3K434K434-V436 PolarHBondContact O-N 3.26Å
437F52.9Low50.8Low47 Ų4799.8 Ų99.821%0.20654%0.536CS..SBendtrans-137.5141.3175.9-56.6-73.3000109W441 A466 P469 M470F437-W441 HydrophobicContact CB-CE3 4.37Å; F437-W441 AromaticContact CD1-CE3 3.82Å; F437-W441 HydrophobicContact CD1-CE3 3.82Å; F437-W441 HydrophobicContact CD1-CH2 4.35Å; F437-W441 AromaticContact CD1-CZ3 3.52Å; F437-W441 HydrophobicContact CD1-CZ3 3.52Å; F437-W441 AromaticContact CE1-CZ3 3.98Å; F437-W441 HydrophobicContact CE1-CZ3 3.98Å; F437-W441 HydrophobicContact CG-CE3 4.37Å; F437-W441 HydrophobicContact CG-CZ3 4.48Å; F437-A466 HydrophobicContact CD1-CB 3.81Å; F437-A466 HydrophobicContact CD2-CB 4.44Å; F437-A466 HydrophobicContact CE1-CB 3.55Å; F437-A466 HydrophobicContact CE2-CB 4.22Å; F437-A466 HydrophobicContact CG-CB 4.25Å; F437-A466 HydrophobicContact CZ-CB 3.77Å; F437-P469 HydrophobicContact CE2-CB 3.93Å; F437-M470 HydrophobicContact CB-CE 4.36Å; F437-M470 HydrophobicContact CB-CG 4.21Å; F437-M470 HydrophobicContact CB-SD 3.74Å; F437-M470 HydrophobicContact CD2-CG 3.64Å; F437-M470 HydrophobicContact CD2-SD 4.18Å; F437-M470 HydrophobicContact CE2-CG 4.35Å; F437-M470 HydrophobicContact CG-CG 4.08Å; F437-M470 HydrophobicContact CG-SD 3.99Å
438P58.5Low53.1Low4 Ų498.5 Ų98.53%0.02652%0.524CS..  trans-59.6160.7178.4-25.336.5000113E315 N440 W441E315-P438 HydrophobicContact CB-CB 3.96Å; E315-P438 HydrophobicContact CB-CG 4.04Å; P438-N440 WeakPolarHBondContact CB-OD1 3.5Å; P438-N440 PolarHBondContact O-N 2.9Å; P438-W441 PolarHBondContact O-N 3.02Å
439D56.8Low55.8Low78 Ų78100 Ų10042%0.41751%0.508SS..G310 helixtrans-73.1-15.2-177.2-111.529.4000113E315 W441 K442E315-D439 PolarHBondContact OE2-N 3.41Å; D439-W441 VanDerWaalsContact C-N 3.33Å; D439-W441 PolarHBondContact O-N 3.08Å; D439-K442 VanDerWaalsContact OD1-CE 3.22Å; D439-K442 WeakPolarHBondContact OD1-CE 3.49Å; D439-K442 IonicContact OD1-NZ 2.9Å; D439-K442 PolarHBondContact OD1-NZ 3.41Å; D439-K442 IonicContact OD2-NZ 2.7Å; D439-K442 PolarHBondContact OD2-NZ 3.44Å
440N62.3Low58.2Low57 Ų5792.7 Ų92.731%0.30548%0.484SS..G310 helixtrans-78.1-617770.94.9000114.6L312 P438 R463L312-N440 HydrophobicContact CD2-CB 4.14Å; P438-N440 WeakPolarHBondContact CB-OD1 3.5Å; P438-N440 PolarHBondContact O-N 2.9Å; N440-R463 PolarHBondContact O-NH1 3.29Å
441W65.5Low60.8Low24 Ų2487.8 Ų87.89%0.09146%0.46CS..G310 helixtrans-93.8-3.5173.4-74.822.8000113.4F437 P438 D439 L462 R463 A466 M470F437-W441 HydrophobicContact CB-CE3 4.37Å; F437-W441 AromaticContact CD1-CE3 3.82Å; F437-W441 HydrophobicContact CD1-CE3 3.82Å; F437-W441 HydrophobicContact CD1-CH2 4.35Å; F437-W441 AromaticContact CD1-CZ3 3.52Å; F437-W441 HydrophobicContact CD1-CZ3 3.52Å; F437-W441 AromaticContact CE1-CZ3 3.98Å; F437-W441 HydrophobicContact CE1-CZ3 3.98Å; F437-W441 HydrophobicContact CG-CE3 4.37Å; F437-W441 HydrophobicContact CG-CZ3 4.48Å; P438-W441 PolarHBondContact O-N 3.02Å; D439-W441 VanDerWaalsContact C-N 3.33Å; D439-W441 PolarHBondContact O-N 3.08Å; W441-L462 HydrophobicContact CH2-CB 4.26Å; W441-L462 HydrophobicContact CH2-CD2 3.55Å; W441-L462 HydrophobicContact CH2-CG 3.63Å; W441-L462 HydrophobicContact CZ2-CD2 4.06Å; W441-L462 HydrophobicContact CZ2-CG 4.49Å; W441-L462 HydrophobicContact CZ3-CG 4.26Å; W441-R463 VanDerWaalsContact CD1-NH1 3.26Å; W441-R463 HydrophobicContact CD2-CG 3.88Å; W441-R463 HydrophobicContact CE3-CG 4.18Å; W441-R463 HydrophobicContact CG-CG 4.22Å; W441-A466 HydrophobicContact CE3-CB 3.67Å; W441-A466 HydrophobicContact CZ3-CB 3.61Å; W441-M470 HydrophobicContact CB-CE 3.7Å; W441-M470 HydrophobicContact CB-SD 3.73Å; W441-M470 HydrophobicContact CE3-SD 4.36Å; W441-M470 WeakPolarHBondContact O-CE 3.5Å
442K66.8Low63.4Low82 Ų8283.3 Ų83.336%0.35744%0.438SS..SBendtrans-58.7140.2172.5-75.8169.5171.3164.70109.9D439 M470D439-K442 VanDerWaalsContact OD1-CE 3.22Å; D439-K442 WeakPolarHBondContact OD1-CE 3.49Å; D439-K442 IonicContact OD1-NZ 2.9Å; D439-K442 PolarHBondContact OD1-NZ 3.41Å; D439-K442 IonicContact OD2-NZ 2.7Å; D439-K442 PolarHBondContact OD2-NZ 3.44Å; K442-M470 HydrophobicContact CG-CE 4.01Å
443V72.6Confident66Low77 Ų7782.9 Ų82.947%0.46743%0.433SS..PPolyproline II helixtrans-57.5128.1179.5-178.70000109.2Q445 F449 L467V443-Q445 PolarHBondContact O-N 3.36Å; V443-F449 HydrophobicContact CG1-CE1 4.09Å; V443-F449 HydrophobicContact CG1-CZ 3.96Å; V443-L467 HydrophobicContact CG2-CD1 3.85Å
444P73.4Confident68.2Low34 Ų3484.5 Ų84.522%0.22143%0.433CS..PPolyproline II helixtrans-56.8127.6-178.6-25.933.6000112.1D446 G447 F451P444-D446 VanDerWaalsContact C-N 3.25Å; P444-D446 WeakPolarHBondContact CB-OD1 3.06Å; P444-D446 PolarHBondContact O-N 3.3Å; P444-G447 PolarHBondContact O-N 3.48Å; P444-F451 HydrophobicContact CG-CD1 4.4Å; P444-F451 HydrophobicContact CG-CE1 3.67Å; P444-F451 HydrophobicContact CG-CZ 4.29Å
445Q72.4Confident70.4Confident195 Ų19580 Ų8091%0.91142%0.415SS*.THydrogen-bonded Turntrans-74.4-16.9-174.7-63.6-175.74.500113.3V443V443-Q445 PolarHBondContact O-N 3.36Å
446D70.6Confident72.5Confident132 Ų13280.3 Ų80.371%0.70642%0.417SS*.THydrogen-bonded Turntrans-82.9-13.9169.450.121.3000112.8P444 D448P444-D446 VanDerWaalsContact C-N 3.25Å; P444-D446 WeakPolarHBondContact CB-OD1 3.06Å; P444-D446 PolarHBondContact O-N 3.3Å; D446-D448 VanDerWaalsContact C-N 3.3Å; D446-D448 PolarHBondContact OD1-N 3.42Å
447G74.8Confident74.2Confident39 Ų3983 Ų8340%0.40242%0.42SS..  trans72.515.4-173.300000114.5P444 F449P444-G447 PolarHBondContact O-N 3.48Å; G447-F449 WeakPolarHBondContact O-CD2 3.25Å; G447-F449 WeakPolarHBondContact O-CE2 3.25Å; G447-F449 PolarHBondContact O-N 2.87Å
448D76.5Confident75.7Confident76 Ų7688 Ų8841%0.40644%0.444SS..  trans-82101177.2-1697.9000112.3D446 N450 F451D446-D448 VanDerWaalsContact C-N 3.3Å; D446-D448 PolarHBondContact OD1-N 3.42Å; D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.22Å; D448-N450 VanDerWaalsContact OD1-CG 3.29Å; D448-N450 PolarHBondContact OD1-N 3.11Å; D448-N450 PolarHBondContact OD1-ND2 3.12Å; D448-F451 WeakPolarHBondContact O-CD1 3.47Å
449F84.9Confident76.8Confident110 Ų11090.4 Ų90.448%0.48246%0.455SS..  trans-88.910.7175.3-60.3-75.6000114V443 G447 F451 L452V443-F449 HydrophobicContact CG1-CE1 4.09Å; V443-F449 HydrophobicContact CG1-CZ 3.96Å; G447-F449 WeakPolarHBondContact O-CD2 3.25Å; G447-F449 WeakPolarHBondContact O-CE2 3.25Å; G447-F449 PolarHBondContact O-N 2.87Å; F449-F451 HydrophobicContact CD1-CE1 4.34Å; F449-F451 PolarHBondContact O-N 2.84Å; F449-L452 HydrophobicContact CB-CD1 3.92Å; F449-L452 HydrophobicContact CB-CG 4.39Å; F449-L452 HydrophobicContact CD1-CD1 4.15Å; F449-L452 HydrophobicContact CG-CD1 4.45Å; F449-L452 WeakPolarHBondContact O-CB 3.48Å; F449-L452 WeakPolarHBondContact O-CG 3.34Å; F449-L452 PolarHBondContact O-N 3.11Å
450N77.6Confident78.2Confident61 Ų6189.6 Ų89.633%0.32645%0.45SS..G310 helixtrans-61.9-28.3179.9-81.8-68000113.6D448 L452 K453D448-N450 VanDerWaalsContact C-N 3.35Å; D448-N450 WeakPolarHBondContact OD1-CB 3.22Å; D448-N450 VanDerWaalsContact OD1-CG 3.29Å; D448-N450 PolarHBondContact OD1-N 3.11Å; D448-N450 PolarHBondContact OD1-ND2 3.12Å; N450-L452 PolarHBondContact O-N 2.87Å; N450-K453 WeakPolarHBondContact O-CB 3.46Å; N450-K453 WeakPolarHBondContact O-CG 3.44Å; N450-K453 PolarHBondContact O-N 2.94Å; N450-K453 VanDerWaalsContact O-N 3.16Å; N450-K453 PolarHBondContact OD1-NZ 3.4Å
451F81.6Confident79.3Confident71 Ų7192.3 Ų92.331%0.31146%0.461SS..G310 helixtrans-59.3-30.5177.976.9-78.3000113P444 D448 F449 K453 N454 L455P444-F451 HydrophobicContact CG-CD1 4.4Å; P444-F451 HydrophobicContact CG-CE1 3.67Å; P444-F451 HydrophobicContact CG-CZ 4.29Å; D448-F451 WeakPolarHBondContact O-CD1 3.47Å; F449-F451 HydrophobicContact CD1-CE1 4.34Å; F449-F451 PolarHBondContact O-N 2.84Å; F451-K453 PolarHBondContact O-N 3.39Å; F451-N454 PolarHBondContact O-N 2.73Å; F451-L455 HydrophobicContact CD2-CD1 4.08Å; F451-L455 HydrophobicContact CD2-CD2 4.45Å; F451-L455 HydrophobicContact CD2-CG 4.45Å; F451-L455 HydrophobicContact CE2-CD1 3.96Å
452L86.2Confident80.1Confident59 Ų5994.9 Ų94.931%0.30948%0.476SS..G310 helixtrans-57-20.4177.2-60.7-178.6000113.5F449 N450 N454 L455 L460F449-L452 HydrophobicContact CB-CD1 3.92Å; F449-L452 HydrophobicContact CB-CG 4.39Å; F449-L452 HydrophobicContact CD1-CD1 4.15Å; F449-L452 HydrophobicContact CG-CD1 4.45Å; F449-L452 WeakPolarHBondContact O-CB 3.48Å; F449-L452 WeakPolarHBondContact O-CG 3.34Å; F449-L452 PolarHBondContact O-N 3.11Å; N450-L452 PolarHBondContact O-N 2.87Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 3.16Å; L452-L455 HydrophobicContact CD2-CD1 3.93Å; L452-L460 HydrophobicContact CB-CD2 3.93Å; L452-L460 HydrophobicContact CD2-CD2 3.75Å; L452-L460 HydrophobicContact CG-CD2 4.33Å
453K83.5Confident80.9Confident156 Ų15693.1 Ų93.168%0.67847%0.467SS*.G310 helixtrans-74.4-15.3177.3-63.4170.3179.2169.80113.7N450 F451N450-K453 WeakPolarHBondContact O-CB 3.46Å; N450-K453 WeakPolarHBondContact O-CG 3.44Å; N450-K453 PolarHBondContact O-N 2.94Å; N450-K453 VanDerWaalsContact O-N 3.16Å; N450-K453 PolarHBondContact OD1-NZ 3.4Å; F451-K453 PolarHBondContact O-N 3.39Å
454N81.9Confident81.5Confident146 Ų14695.3 Ų95.378%0.78148%0.476SS*.SBendtrans-106.4-6.6-176.6-59-21.5000112.6F451 L452F451-N454 PolarHBondContact O-N 2.73Å; L452-N454 VanDerWaalsContact C-N 3.26Å; L452-N454 PolarHBondContact O-N 3.16Å
455L84.7Confident82.1Confident38 Ų3898.3 Ų98.320%0.19949%0.494CS..SBendtrans-85.2159.6174.5-47.7-176.1000109.9F451 L452 E459 L460F451-L455 HydrophobicContact CD2-CD1 4.08Å; F451-L455 HydrophobicContact CD2-CD2 4.45Å; F451-L455 HydrophobicContact CD2-CG 4.45Å; F451-L455 HydrophobicContact CE2-CD1 3.96Å; L452-L455 HydrophobicContact CD2-CD1 3.93Å; L455-E459 WeakPolarHBondContact CD2-OE2 3.21Å; L455-L460 HydrophobicContact CB-CD2 4.31Å; L455-L460 HydrophobicContact CB-CG 4.09Å; L455-L460 HydrophobicContact CD1-CD2 4.1Å
456D88.2Confident82.6Confident97 Ų9789 Ų8952%0.51945%0.451SS..  trans-86.3178.2171.474.240.7000112.9E458 E459 L460D456-E458 VanDerWaalsContact C-N 3.34Å; D456-E458 PolarHBondContact O-N 3.17Å; D456-E458 WeakPolarHBondContact OD1-CA 3.48Å; D456-E458 WeakPolarHBondContact OD1-CB 3.26Å; D456-E458 PolarHBondContact OD1-N 3.19Å; D456-E459 PolarHBondContact OD1-N 3.2Å; D456-L460 WeakPolarHBondContact O-CB 3.27Å; D456-L460 WeakPolarHBondContact O-CD1 3.42Å; D456-L460 WeakPolarHBondContact O-CG 3.46Å; D456-L460 PolarHBondContact O-N 3.35Å; D456-L460 VanDerWaalsContact O-N 3.16Å
457F85.9Confident83.2Confident160 Ų16086.6 Ų86.670%0.70244%0.437SS*.Hα-helixtrans-69.2-30.7-176.7179.8-93.8000113.4Q461F457-Q461 WeakPolarHBondContact O-CB 3.34Å; F457-Q461 PolarHBondContact O-N 2.77Å; F457-Q461 VanDerWaalsContact O-N 3.09Å
458E85.9Confident83.7Confident153 Ų15389.9 Ų89.972%0.71545%0.445SS*.Hα-helixtrans-75.2-47.4-175.6-167142.9-143.400109.4D456 L460 Q461 L462D456-E458 VanDerWaalsContact C-N 3.34Å; D456-E458 PolarHBondContact O-N 3.17Å; D456-E458 WeakPolarHBondContact OD1-CA 3.48Å; D456-E458 WeakPolarHBondContact OD1-CB 3.26Å; D456-E458 PolarHBondContact OD1-N 3.19Å; E458-L460 PolarHBondContact O-N 3.1Å; E458-Q461 PolarHBondContact O-N 2.68Å; E458-Q461 VanDerWaalsContact O-N 3.16Å; E458-L462 WeakPolarHBondContact O-CB 3.31Å; E458-L462 PolarHBondContact O-N 3.01Å
459E81.8Confident84Confident54 Ų5489.2 Ų89.225%0.25245%0.445SS..Hα-helixtrans-63.6-38.6174.3-159.2-160.8144.200112.4L455 D456 Q461 L462 R463L455-E459 WeakPolarHBondContact CD2-OE2 3.21Å; D456-E459 PolarHBondContact OD1-N 3.2Å; E459-Q461 VanDerWaalsContact C-N 3.32Å; E459-Q461 PolarHBondContact O-N 2.99Å; E459-L462 PolarHBondContact O-N 3.23Å; E459-R463 WeakPolarHBondContact O-CB 3.48Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.35Å; E459-R463 IonicContact OE1-CZ 2.78Å; E459-R463 IonicContact OE1-NE 3.13Å; E459-R463 PolarHBondContact OE1-NE 3.15Å; E459-R463 IonicContact OE1-NH2 3.49Å; E459-R463 PolarHBondContact OE1-NH2 3.06Å
460L85.3Confident83.8Confident61 Ų6184.9 Ų84.932%0.31943%0.427SS..Hα-helixtrans-61.9-38.7173.6-76.5170.8000112.5L452 L455 D456 E458 L464L452-L460 HydrophobicContact CB-CD2 3.93Å; L452-L460 HydrophobicContact CD2-CD2 3.75Å; L452-L460 HydrophobicContact CG-CD2 4.33Å; L455-L460 HydrophobicContact CB-CD2 4.31Å; L455-L460 HydrophobicContact CB-CG 4.09Å; L455-L460 HydrophobicContact CD1-CD2 4.1Å; D456-L460 WeakPolarHBondContact O-CB 3.27Å; D456-L460 WeakPolarHBondContact O-CD1 3.42Å; D456-L460 WeakPolarHBondContact O-CG 3.46Å; D456-L460 PolarHBondContact O-N 3.35Å; D456-L460 VanDerWaalsContact O-N 3.16Å; E458-L460 PolarHBondContact O-N 3.1Å; L460-L464 WeakPolarHBondContact O-CB 3.34Å; L460-L464 PolarHBondContact O-N 3.27Å
461Q84.8Confident84.1Confident113 Ų11386.3 Ų86.353%0.52843%0.433SS..Hα-helixtrans-70.9-39.6175.9-166.7178.6-87.400111.1F457 E458 E459 L464 T465F457-Q461 WeakPolarHBondContact O-CB 3.34Å; F457-Q461 PolarHBondContact O-N 2.77Å; F457-Q461 VanDerWaalsContact O-N 3.09Å; E458-Q461 PolarHBondContact O-N 2.68Å; E458-Q461 VanDerWaalsContact O-N 3.16Å; E459-Q461 VanDerWaalsContact C-N 3.32Å; E459-Q461 PolarHBondContact O-N 2.99Å; Q461-L464 PolarHBondContact O-N 2.71Å; Q461-T465 PolarHBondContact O-N 2.68Å; Q461-T465 PolarHBondContact O-OG1 3.16Å
462L83.1Confident84.4Confident78 Ų7889.8 Ų89.841%0.40845%0.45SS..Hα-helixtrans-64.1-50.6180-156.265.7000111.3W441 E458 E459 L464 T465 A466W441-L462 HydrophobicContact CH2-CB 4.26Å; W441-L462 HydrophobicContact CH2-CD2 3.55Å; W441-L462 HydrophobicContact CH2-CG 3.63Å; W441-L462 HydrophobicContact CZ2-CD2 4.06Å; W441-L462 HydrophobicContact CZ2-CG 4.49Å; W441-L462 HydrophobicContact CZ3-CG 4.26Å; E458-L462 WeakPolarHBondContact O-CB 3.31Å; E458-L462 PolarHBondContact O-N 3.01Å; E459-L462 PolarHBondContact O-N 3.23Å; L462-L464 VanDerWaalsContact C-N 3.28Å; L462-L464 PolarHBondContact O-N 3.44Å; L462-T465 PolarHBondContact O-N 3.4Å; L462-T465 PolarHBondContact O-OG1 3.03Å; L462-A466 PolarHBondContact O-N 2.77Å
463R83.5Confident84.2Confident45 Ų4589.8 Ų89.817%0.1745%0.446CS..Hα-helixtrans-57.7-37.5173.5-71.8178.8-177.4-101.73.1112.5N440 W441 E459 A466 L467N440-R463 PolarHBondContact O-NH1 3.29Å; W441-R463 VanDerWaalsContact CD1-NH1 3.26Å; W441-R463 HydrophobicContact CD2-CG 3.88Å; W441-R463 HydrophobicContact CE3-CG 4.18Å; W441-R463 HydrophobicContact CG-CG 4.22Å; E459-R463 WeakPolarHBondContact O-CB 3.48Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.35Å; E459-R463 IonicContact OE1-CZ 2.78Å; E459-R463 IonicContact OE1-NE 3.13Å; E459-R463 PolarHBondContact OE1-NE 3.15Å; E459-R463 IonicContact OE1-NH2 3.49Å; E459-R463 PolarHBondContact OE1-NH2 3.06Å; R463-A466 PolarHBondContact O-N 3.23Å; R463-L467 PolarHBondContact O-N 3.25Å
464L85.9Confident84.3Confident124 Ų12487.7 Ų87.765%0.64944%0.438SS*.Hα-helixtrans-65.7-39.2175.3-178.962.3000112L460 Q461 L462 L467L460-L464 WeakPolarHBondContact O-CB 3.34Å; L460-L464 PolarHBondContact O-N 3.27Å; Q461-L464 PolarHBondContact O-N 2.71Å; L462-L464 VanDerWaalsContact C-N 3.28Å; L462-L464 PolarHBondContact O-N 3.44Å; L464-L467 WeakPolarHBondContact O-CB 3.38Å
465T84.8Confident84.6Confident96 Ų9684.3 Ų84.359%0.58942%0.42SS*.Hα-helixtrans-72.5-28176.654.50000114.1Q461 L462Q461-T465 PolarHBondContact O-N 2.68Å; Q461-T465 PolarHBondContact O-OG1 3.16Å; L462-T465 PolarHBondContact O-N 3.4Å; L462-T465 PolarHBondContact O-OG1 3.03Å
466A82.1Confident84.9Confident1 Ų186.7 Ų86.71%0.00843%0.429CS..Hα-helixtrans-80.8-14.5177.400000114.3F437 W441 L462 R463 D468 P469 M470F437-A466 HydrophobicContact CD1-CB 3.81Å; F437-A466 HydrophobicContact CD2-CB 4.44Å; F437-A466 HydrophobicContact CE1-CB 3.55Å; F437-A466 HydrophobicContact CE2-CB 4.22Å; F437-A466 HydrophobicContact CG-CB 4.25Å; F437-A466 HydrophobicContact CZ-CB 3.77Å; W441-A466 HydrophobicContact CE3-CB 3.67Å; W441-A466 HydrophobicContact CZ3-CB 3.61Å; L462-A466 PolarHBondContact O-N 2.77Å; R463-A466 PolarHBondContact O-N 3.23Å; A466-D468 PolarHBondContact O-N 3.36Å; A466-P469 WeakPolarHBondContact O-CD 3.4Å; A466-M470 HydrophobicContact CB-SD 4.25Å; A466-M470 WeakPolarHBondContact O-CB 3.26Å; A466-M470 VanDerWaalsContact O-CG 3.29Å; A466-M470 WeakPolarHBondContact O-CG 3.46Å; A466-M470 PolarHBondContact O-N 3.49Å
467L84.2Confident84.8Confident81 Ų8186.1 Ų86.142%0.42442%0.424SS..Hα-helixtrans-57.4-48.1-172.6-172.766.7000113.3V443 R463 L464 M470 M471V443-L467 HydrophobicContact CG2-CD1 3.85Å; R463-L467 PolarHBondContact O-N 3.25Å; L464-L467 WeakPolarHBondContact O-CB 3.38Å; L467-M470 PolarHBondContact O-N 2.84Å; L467-M471 WeakPolarHBondContact O-CB 3.19Å; L467-M471 PolarHBondContact O-N 3.42Å
468D84.8Confident85Confident107 Ų10782.5 Ų82.557%0.57241%0.411SS*.Hα-helixtrans-65.5-51.7179.3-79.2-30.9000112.1A466 M470 M471 E472A466-D468 PolarHBondContact O-N 3.36Å; D468-M470 VanDerWaalsContact C-N 3.3Å; D468-M470 PolarHBondContact O-N 2.9Å; D468-M471 PolarHBondContact O-N 3.19Å; D468-M471 VanDerWaalsContact OD1-CE 3.32Å; D468-M471 WeakPolarHBondContact OD1-CE 3.43Å; D468-E472 PolarHBondContact O-N 3.25Å
469P82.8Confident85.2Confident63 Ų6381.3 Ų81.341%0.40940%0.4SS..Hα-helixtrans-53.3-40.5172.1-29.734.4000114.7F437 A466 R473F437-P469 HydrophobicContact CE2-CB 3.93Å; A466-P469 WeakPolarHBondContact O-CD 3.4Å; P469-R473 PolarHBondContact O-N 3.18Å; P469-R473 VanDerWaalsContact O-N 3.08Å
470M81.4Confident85.6Confident18 Ų1884.2 Ų84.29%0.08941%0.414CS..Hα-helixtrans-70.4-39.8179-70.8-17566.700112F437 W441 K442 A466 L467 D468 R473 E474F437-M470 HydrophobicContact CB-CE 4.36Å; F437-M470 HydrophobicContact CB-CG 4.21Å; F437-M470 HydrophobicContact CB-SD 3.74Å; F437-M470 HydrophobicContact CD2-CG 3.64Å; F437-M470 HydrophobicContact CD2-SD 4.18Å; F437-M470 HydrophobicContact CE2-CG 4.35Å; F437-M470 HydrophobicContact CG-CG 4.08Å; F437-M470 HydrophobicContact CG-SD 3.99Å; W441-M470 HydrophobicContact CB-CE 3.7Å; W441-M470 HydrophobicContact CB-SD 3.73Å; W441-M470 HydrophobicContact CE3-SD 4.36Å; W441-M470 WeakPolarHBondContact O-CE 3.5Å; K442-M470 HydrophobicContact CG-CE 4.01Å; A466-M470 HydrophobicContact CB-SD 4.25Å; A466-M470 WeakPolarHBondContact O-CB 3.26Å; A466-M470 VanDerWaalsContact O-CG 3.29Å; A466-M470 WeakPolarHBondContact O-CG 3.46Å; A466-M470 PolarHBondContact O-N 3.49Å; L467-M470 PolarHBondContact O-N 2.84Å; D468-M470 VanDerWaalsContact C-N 3.3Å; D468-M470 PolarHBondContact O-N 2.9Å; M470-R473 PolarHBondContact O-N 2.71Å; M470-E474 PolarHBondContact O-N 3.34Å
471M84.6Confident85.8Confident92 Ų9288 Ų8845%0.45342%0.424SS..Hα-helixtrans-63.4-42.6173.3177.61785600111.7L467 D468 E474 I475L467-M471 WeakPolarHBondContact O-CB 3.19Å; L467-M471 PolarHBondContact O-N 3.42Å; D468-M471 PolarHBondContact O-N 3.19Å; D468-M471 VanDerWaalsContact OD1-CE 3.32Å; D468-M471 WeakPolarHBondContact OD1-CE 3.43Å; M471-E474 PolarHBondContact O-N 3.01Å; M471-I475 HydrophobicContact CG-CD1 3.69Å; M471-I475 HydrophobicContact CG-CG1 4.36Å; M471-I475 WeakPolarHBondContact O-CB 3.22Å; M471-I475 VanDerWaalsContact O-CG1 3.24Å; M471-I475 WeakPolarHBondContact O-CG1 3.4Å; M471-I475 PolarHBondContact O-N 3.47Å; M471-I475 HydrophobicContact SD-CD1 4.4Å
472E87.3Confident86.1Confident143 Ų14389.8 Ų89.867%0.66843%0.427SS*.Hα-helixtrans-62.9-41.8176.2-72.1-159.9149.500112D468 I475 E476D468-E472 PolarHBondContact O-N 3.25Å; E472-I475 PolarHBondContact O-N 3.49Å; E472-E476 WeakPolarHBondContact O-CB 3.25Å; E472-E476 PolarHBondContact O-N 3.36Å
473R81.9Confident86.6Confident59 Ų5988.3 Ų88.322%0.22342%0.421CS..Hα-helixtrans-57.7-50.9173.1175.317560.9161-6.7111.6N435 P469 M470 I475 E476 E477N435-R473 PolarHBondContact OD1-NH1 2.9Å; P469-R473 PolarHBondContact O-N 3.18Å; P469-R473 VanDerWaalsContact O-N 3.08Å; M470-R473 PolarHBondContact O-N 2.71Å; R473-I475 PolarHBondContact O-N 3.49Å; R473-E476 PolarHBondContact O-N 3.43Å; R473-E477 PolarHBondContact O-N 3.02Å
474E84.8Confident87Confident113 Ų11389.5 Ų89.553%0.52844%0.441SS..Hα-helixtrans-65.6-38.7-178.5-176.1165.6-157.300112.1M470 M471 E476 L478M470-E474 PolarHBondContact O-N 3.34Å; M471-E474 PolarHBondContact O-N 3.01Å; E474-E476 VanDerWaalsContact C-N 3.33Å; E474-E476 PolarHBondContact O-N 2.91Å; E474-L478 VanDerWaalsContact O-CB 3.28Å; E474-L478 WeakPolarHBondContact O-CB 3.43Å; E474-L478 PolarHBondContact O-N 3.11Å
475I88.9Confident87.2Confident75 Ų7590.9 Ų90.939%0.38544%0.441SS..Hα-helixtrans-61.3-40.9173.2-74.3170.8000111.2M471 E472 R473 L478 R479M471-I475 HydrophobicContact CG-CD1 3.69Å; M471-I475 HydrophobicContact CG-CG1 4.36Å; M471-I475 WeakPolarHBondContact O-CB 3.22Å; M471-I475 VanDerWaalsContact O-CG1 3.24Å; M471-I475 WeakPolarHBondContact O-CG1 3.4Å; M471-I475 PolarHBondContact O-N 3.47Å; M471-I475 HydrophobicContact SD-CD1 4.4Å; E472-I475 PolarHBondContact O-N 3.49Å; R473-I475 PolarHBondContact O-N 3.49Å; I475-L478 PolarHBondContact O-N 3.47Å; I475-R479 HydrophobicContact CG2-CG 4.46Å; I475-R479 VanDerWaalsContact CG2-NE 3.32Å; I475-R479 WeakPolarHBondContact O-CB 3.49Å; I475-R479 WeakPolarHBondContact O-CD 3.39Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 3.06Å
476E90.3Very high87.7Confident87 Ų8792.3 Ų92.341%0.40744%0.436SS..Hα-helixtrans-75.5-38.8-179.7-175.649.5-14800112.7E472 R473 E474 L478 R479 Q480E472-E476 WeakPolarHBondContact O-CB 3.25Å; E472-E476 PolarHBondContact O-N 3.36Å; R473-E476 PolarHBondContact O-N 3.43Å; E474-E476 VanDerWaalsContact C-N 3.33Å; E474-E476 PolarHBondContact O-N 2.91Å; E476-L478 VanDerWaalsContact C-N 3.26Å; E476-L478 PolarHBondContact O-N 3.34Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 3.14Å; E476-R479 WeakPolarHBondContact OE2-CD 3.44Å; E476-Q480 WeakPolarHBondContact O-CG 3.49Å; E476-Q480 PolarHBondContact O-N 3.34Å; E476-Q480 WeakPolarHBondContact OE1-CG 2.95Å; E476-Q480 PolarHBondContact OE1-NE2 3.48Å
477E86.9Confident88.3Confident85 Ų8596 Ų9640%0.39745%0.453SS..Hα-helixtrans-55.7-43167-79-171-141.200111.6R473 Q480 R481R473-E477 PolarHBondContact O-N 3.02Å; E477-Q480 PolarHBondContact O-N 2.74Å; E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.49Å; E477-R481 PolarHBondContact O-N 2.9Å; E477-R481 IonicContact OE2-NH2 3.1Å
478L89.9Confident88.7Confident84 Ų8496.2 Ų96.244%0.4446%0.459SS..Hα-helixtrans-66.3-42.1177.4-165.766.7000111.3E474 I475 E476 Q480 R481 Y482E474-L478 VanDerWaalsContact O-CB 3.28Å; E474-L478 WeakPolarHBondContact O-CB 3.43Å; E474-L478 PolarHBondContact O-N 3.11Å; I475-L478 PolarHBondContact O-N 3.47Å; E476-L478 VanDerWaalsContact C-N 3.26Å; E476-L478 PolarHBondContact O-N 3.34Å; L478-Q480 PolarHBondContact O-N 2.72Å; L478-R481 PolarHBondContact O-N 3.28Å; L478-Y482 HydrophobicContact CD1-CD2 4.05Å; L478-Y482 HydrophobicContact CD1-CE2 3.86Å; L478-Y482 HydrophobicContact CG-CD2 4.04Å; L478-Y482 HydrophobicContact CG-CE2 4.1Å; L478-Y482 WeakPolarHBondContact O-CB 3.46Å; L478-Y482 WeakPolarHBondContact O-CD2 3.18Å; L478-Y482 PolarHBondContact O-N 2.83Å
479R90.2Very high89.2Confident128 Ų12896.3 Ų96.348%0.48346%0.458SS..Hα-helixtrans-60-43.4174.4-76.1162.7177.4-114.2-0.6112I475 E476 T483I475-R479 HydrophobicContact CG2-CG 4.46Å; I475-R479 VanDerWaalsContact CG2-NE 3.32Å; I475-R479 WeakPolarHBondContact O-CB 3.49Å; I475-R479 WeakPolarHBondContact O-CD 3.39Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 3.06Å; E476-R479 WeakPolarHBondContact O-CB 3.45Å; E476-R479 PolarHBondContact O-N 3.14Å; E476-R479 WeakPolarHBondContact OE2-CD 3.44Å; R479-T483 VanDerWaalsContact O-CB 3.27Å; R479-T483 WeakPolarHBondContact O-CB 3.34Å; R479-T483 PolarHBondContact O-N 3.33Å; R479-T483 PolarHBondContact O-OG1 3.37Å
480Q89.9Confident89.7Confident115 Ų11596.8 Ų96.854%0.53746%0.457SS..Hα-helixtrans-65.6-46.2175.9-69.5175.626.100111.1E476 E477 L478 Y482 T483 A484E476-Q480 WeakPolarHBondContact O-CG 3.49Å; E476-Q480 PolarHBondContact O-N 3.34Å; E476-Q480 WeakPolarHBondContact OE1-CG 2.95Å; E476-Q480 PolarHBondContact OE1-NE2 3.48Å; E477-Q480 PolarHBondContact O-N 2.74Å; L478-Q480 PolarHBondContact O-N 2.72Å; Q480-Y482 VanDerWaalsContact C-N 3.35Å; Q480-Y482 PolarHBondContact O-N 2.92Å; Q480-T483 PolarHBondContact O-N 3.3Å; Q480-T483 VanDerWaalsContact O-N 3.11Å; Q480-A484 PolarHBondContact O-N 3.47Å
481R89.9Confident90.3Very high140 Ų140100.1 Ų100.153%0.52848%0.476SS..Hα-helixtrans-60.1-40.5177-168.6177.9-65.4168.74112.4E477 L478 K485E477-R481 VanDerWaalsContact O-CB 3.24Å; E477-R481 WeakPolarHBondContact O-CB 3.49Å; E477-R481 PolarHBondContact O-N 2.9Å; E477-R481 IonicContact OE2-NH2 3.1Å; L478-R481 PolarHBondContact O-N 3.28Å; R481-K485 WeakPolarHBondContact O-CB 3.29Å; R481-K485 WeakPolarHBondContact O-CG 3.37Å; R481-K485 PolarHBondContact O-N 3.3Å; R481-K485 VanDerWaalsContact O-N 3.12Å
482Y91.8Very high90.7Very high152 Ų15298.1 Ų98.160%0.59647%0.473SS*.Hα-helixtrans-71-36.1173.1-92.7-102.3000112.8L478 Q480 K485 R486L478-Y482 HydrophobicContact CD1-CD2 4.05Å; L478-Y482 HydrophobicContact CD1-CE2 3.86Å; L478-Y482 HydrophobicContact CG-CD2 4.04Å; L478-Y482 HydrophobicContact CG-CE2 4.1Å; L478-Y482 WeakPolarHBondContact O-CB 3.46Å; L478-Y482 WeakPolarHBondContact O-CD2 3.18Å; L478-Y482 PolarHBondContact O-N 2.83Å; Q480-Y482 VanDerWaalsContact C-N 3.35Å; Q480-Y482 PolarHBondContact O-N 2.92Å; Y482-K485 PolarHBondContact O-N 3.03Å; Y482-R486 WeakPolarHBondContact O-CG 3.48Å; Y482-R486 PolarHBondContact O-N 3.13Å
483T93Very high91Very high47 Ų4796 Ų9629%0.28846%0.464SS..Hα-helixtrans-66.1-44.7177-61.70000111.2R479 Q480 K485 R486 Q487R479-T483 VanDerWaalsContact O-CB 3.27Å; R479-T483 WeakPolarHBondContact O-CB 3.34Å; R479-T483 PolarHBondContact O-N 3.33Å; R479-T483 PolarHBondContact O-OG1 3.37Å; Q480-T483 PolarHBondContact O-N 3.3Å; Q480-T483 VanDerWaalsContact O-N 3.11Å; T483-K485 PolarHBondContact O-N 3.08Å; T483-R486 WeakPolarHBondContact O-CG 3.29Å; T483-R486 PolarHBondContact O-N 3Å; T483-R486 VanDerWaalsContact OG1-CZ 3.29Å; T483-R486 PolarHBondContact OG1-NH1 3.09Å; T483-R486 PolarHBondContact OG1-NH2 2.79Å; T483-R486 VanDerWaalsContact OG1-NH2 3.16Å; T483-Q487 PolarHBondContact O-N 2.89Å
484A91.2Very high91.6Very high70 Ų7096.1 Ų96.158%0.57947%0.47SS*.Hα-helixtrans-60.8-44.1172.600000112.1Q480 R486 Q487 P488Q480-A484 PolarHBondContact O-N 3.47Å; A484-R486 PolarHBondContact O-N 3.08Å; A484-Q487 PolarHBondContact O-N 2.97Å; A484-P488 WeakPolarHBondContact O-CD 3.23Å
485K91.8Very high91.9Very high152 Ų15292.9 Ų92.966%0.66146%0.462SS*.Hα-helixtrans-64.7-35.4177.6-78.5-179.4177.5-176.60113.7R481 Y482 T483R481-K485 WeakPolarHBondContact O-CB 3.29Å; R481-K485 WeakPolarHBondContact O-CG 3.37Å; R481-K485 PolarHBondContact O-N 3.3Å; R481-K485 VanDerWaalsContact O-N 3.12Å; Y482-K485 PolarHBondContact O-N 3.03Å; T483-K485 PolarHBondContact O-N 3.08Å
486R94.7Very high92.1Very high127 Ų12796.2 Ų96.248%0.47947%0.474SS..Hα-helixtrans-82.8-22.7179.978.3-173.7-177.5-137.3-4.6113.7Y482 T483 A484 I489 L490Y482-R486 WeakPolarHBondContact O-CG 3.48Å; Y482-R486 PolarHBondContact O-N 3.13Å; T483-R486 WeakPolarHBondContact O-CG 3.29Å; T483-R486 PolarHBondContact O-N 3Å; T483-R486 VanDerWaalsContact OG1-CZ 3.29Å; T483-R486 PolarHBondContact OG1-NH1 3.09Å; T483-R486 PolarHBondContact OG1-NH2 2.79Å; T483-R486 VanDerWaalsContact OG1-NH2 3.16Å; A484-R486 PolarHBondContact O-N 3.08Å; R486-I489 WeakPolarHBondContact O-CB 3.38Å; R486-I489 PolarHBondContact O-N 3.09Å; R486-L490 HydrophobicContact CG-CD1 3.91Å; R486-L490 HydrophobicContact CG-CG 4.42Å; R486-L490 PolarHBondContact O-N 2.99Å; R486-L490 VanDerWaalsContact O-N 3.09Å
487Q94.3Very high92.1Very high77 Ų7797.1 Ų97.136%0.3648%0.477SS..Hα-helixtrans-54.5-46.8-172.2-167.86139.700113.7T483 A484 I489 L490 D491T483-Q487 PolarHBondContact O-N 2.89Å; A484-Q487 PolarHBondContact O-N 2.97Å; Q487-I489 PolarHBondContact O-N 3.15Å; Q487-I489 VanDerWaalsContact O-N 3.15Å; Q487-L490 PolarHBondContact O-N 3.13Å; Q487-L490 VanDerWaalsContact O-N 3.08Å; Q487-D491 PolarHBondContact NE2-OD1 3.13Å; Q487-D491 VanDerWaalsContact O-CG 3.23Å; Q487-D491 PolarHBondContact O-N 2.66Å
488P93Very high92.1Very high86 Ų86101 Ų10156%0.55849%0.488SS*.Hα-helixtrans-62.7-26.1178.3-22.734.8000113.9A484 A492A484-P488 WeakPolarHBondContact O-CD 3.23Å; P488-A492 VanDerWaalsContact O-CB 3.23Å; P488-A492 WeakPolarHBondContact O-CB 3.49Å; P488-A492 PolarHBondContact O-N 3.08Å; P488-A492 VanDerWaalsContact O-N 3.13Å
489I94.4Very high91.8Very high109 Ų109106 Ų10656%0.55950%0.501SS*.Hα-helixtrans-75-43.7176.3-54.1176.3000109.6R486 Q487 A492 M493R486-I489 WeakPolarHBondContact O-CB 3.38Å; R486-I489 PolarHBondContact O-N 3.09Å; Q487-I489 PolarHBondContact O-N 3.15Å; Q487-I489 VanDerWaalsContact O-N 3.15Å; I489-A492 PolarHBondContact O-N 3.23Å; I489-M493 HydrophobicContact CG2-SD 4.24Å; I489-M493 WeakPolarHBondContact O-CB 3.31Å; I489-M493 VanDerWaalsContact O-CG 3.3Å; I489-M493 WeakPolarHBondContact O-CG 3.3Å; I489-M493 PolarHBondContact O-N 2.9Å
490L92.9Very high91.1Very high73 Ų73107 Ų10738%0.38251%0.511SS..Hα-helixtrans-62.5-47.3175.7-63.5177.2000111.2R486 Q487 A492 M493 D494R486-L490 HydrophobicContact CG-CD1 3.91Å; R486-L490 HydrophobicContact CG-CG 4.42Å; R486-L490 PolarHBondContact O-N 2.99Å; R486-L490 VanDerWaalsContact O-N 3.09Å; Q487-L490 PolarHBondContact O-N 3.13Å; Q487-L490 VanDerWaalsContact O-N 3.08Å; L490-A492 VanDerWaalsContact C-N 3.32Å; L490-A492 PolarHBondContact O-N 3.39Å; L490-M493 PolarHBondContact O-N 3.48Å; L490-M493 VanDerWaalsContact O-N 3.13Å; L490-D494 PolarHBondContact O-N 3.15Å
491D95.3Very high90.2Very high89 Ų89108.9 Ų108.948%0.47652%0.519SS..Hα-helixtrans-58.5-43.5176.7-62.2-27.6000111.4Q487 D494 A495Q487-D491 PolarHBondContact NE2-OD1 3.13Å; Q487-D491 VanDerWaalsContact O-CG 3.23Å; Q487-D491 PolarHBondContact O-N 2.66Å; D491-D494 PolarHBondContact O-N 3.19Å; D491-A495 VanDerWaalsContact O-CB 3.23Å; D491-A495 WeakPolarHBondContact O-CB 3.43Å; D491-A495 PolarHBondContact O-N 2.9Å
492A93.6Very high88.9Confident49 Ų49108.7 Ų108.741%0.40553%0.529SS..Hα-helixtrans-68.4-32.7176.900000113.3P488 I489 L490 K496P488-A492 VanDerWaalsContact O-CB 3.23Å; P488-A492 WeakPolarHBondContact O-CB 3.49Å; P488-A492 PolarHBondContact O-N 3.08Å; P488-A492 VanDerWaalsContact O-N 3.13Å; I489-A492 PolarHBondContact O-N 3.23Å; L490-A492 VanDerWaalsContact C-N 3.32Å; L490-A492 PolarHBondContact O-N 3.39Å; A492-K496 VanDerWaalsContact O-CG 3.31Å; A492-K496 WeakPolarHBondContact O-CG 3.46Å; A492-K496 PolarHBondContact O-N 3.38Å
493M92.9Very high87.1Confident98 Ų98113.1 Ų113.148%0.48355%0.552SS.*Hα-helixtrans-69.8-45.6173.6-76.7177.466.600111.5I489 L490 K496 K497I489-M493 HydrophobicContact CG2-SD 4.24Å; I489-M493 WeakPolarHBondContact O-CB 3.31Å; I489-M493 VanDerWaalsContact O-CG 3.3Å; I489-M493 WeakPolarHBondContact O-CG 3.3Å; I489-M493 PolarHBondContact O-N 2.9Å; L490-M493 PolarHBondContact O-N 3.48Å; L490-M493 VanDerWaalsContact O-N 3.13Å; M493-K496 WeakPolarHBondContact O-CB 3.42Å; M493-K496 PolarHBondContact O-N 2.88Å; M493-K496 VanDerWaalsContact O-N 3.15Å; M493-K497 WeakPolarHBondContact O-CG 3.45Å; M493-K497 PolarHBondContact O-N 2.9Å
494D93.7Very high86.8Confident63 Ų63116.5 Ų116.534%0.33757%0.565SS.*Hα-helixtrans-70.8-35.6179.9-85.613.8000112.3L490 D491 K496 K497 R498L490-D494 PolarHBondContact O-N 3.15Å; D491-D494 PolarHBondContact O-N 3.19Å; D494-K496 VanDerWaalsContact C-N 3.25Å; D494-K496 PolarHBondContact O-N 2.96Å; D494-K497 PolarHBondContact O-N 3.35Å; D494-K497 WeakPolarHBondContact OD1-CD 3.46Å; D494-K497 WeakPolarHBondContact OD1-CE 3.3Å; D494-K497 IonicContact OD1-NZ 3.83Å; D494-K497 PolarHBondContact OD1-NZ 3.3Å; D494-R498 WeakPolarHBondContact O-CB 3.5Å; D494-R498 VanDerWaalsContact O-CG 3.3Å; D494-R498 WeakPolarHBondContact O-CG 3.28Å; D494-R498 PolarHBondContact O-N 2.7Å
495A92.1Very high86.6Confident45 Ų45118.9 Ų118.937%0.37256%0.564SS.*Hα-helixtrans-60.3-34.116900000112.5D491 R499D491-A495 VanDerWaalsContact O-CB 3.23Å; D491-A495 WeakPolarHBondContact O-CB 3.43Å; D491-A495 PolarHBondContact O-N 2.9Å; A495-R499 VanDerWaalsContact O-CG 3.28Å; A495-R499 WeakPolarHBondContact O-CG 3.46Å; A495-R499 PolarHBondContact O-N 3.31Å
496K91.9Very high86.3Confident144 Ų144117.1 Ų117.163%0.62656%0.559SS**Hα-helixtrans-72.2-46.7172.9-76.4172.8180177.80112.1A492 M493 D494 R498 R499 Q500A492-K496 VanDerWaalsContact O-CG 3.31Å; A492-K496 WeakPolarHBondContact O-CG 3.46Å; A492-K496 PolarHBondContact O-N 3.38Å; M493-K496 WeakPolarHBondContact O-CB 3.42Å; M493-K496 PolarHBondContact O-N 2.88Å; M493-K496 VanDerWaalsContact O-N 3.15Å; D494-K496 VanDerWaalsContact C-N 3.25Å; D494-K496 PolarHBondContact O-N 2.96Å; K496-R498 PolarHBondContact O-N 3.16Å; K496-R499 PolarHBondContact O-N 3.45Å; K496-R499 VanDerWaalsContact O-N 3.16Å; K496-Q500 WeakPolarHBondContact O-CG 3.23Å; K496-Q500 PolarHBondContact O-N 3.36Å
497K90.9Very high85.8Confident106 Ų106116.5 Ų116.546%0.46156%0.564SS.*Hα-helixtrans-56.1-49.3176.5-68.4173.8-165.2158.70111.7M493 D494 R499 Q500 Q501M493-K497 WeakPolarHBondContact O-CG 3.45Å; M493-K497 PolarHBondContact O-N 2.9Å; D494-K497 PolarHBondContact O-N 3.35Å; D494-K497 WeakPolarHBondContact OD1-CD 3.46Å; D494-K497 WeakPolarHBondContact OD1-CE 3.3Å; D494-K497 IonicContact OD1-NZ 3.83Å; D494-K497 PolarHBondContact OD1-NZ 3.3Å; K497-R499 VanDerWaalsContact C-N 3.26Å; K497-R499 PolarHBondContact O-N 2.93Å; K497-Q500 CarbonylContact O-C 3.57Å; K497-Q500 PolarHBondContact O-N 2.98Å; K497-Q501 PolarHBondContact O-N 3.03Å
498R86.6Confident85.2Confident167 Ų167118.9 Ų118.963%0.6358%0.577SS**Hα-helixtrans-61.8-31.9178.9-68176.1-163.1-177.67.9112.6D494 K496 N502D494-R498 WeakPolarHBondContact O-CB 3.5Å; D494-R498 VanDerWaalsContact O-CG 3.3Å; D494-R498 WeakPolarHBondContact O-CG 3.28Å; D494-R498 PolarHBondContact O-N 2.7Å; K496-R498 PolarHBondContact O-N 3.16Å; R498-N502 PolarHBondContact O-ND2 3.36Å
499R83Confident84.7Confident189 Ų189121.1 Ų121.171%0.71358%0.578SS**Hα-helixtrans-72.5-37.4172.2-73.2174.1-175.9-167.32.2112.1A495 K496 K497 Q501 N502 F503A495-R499 VanDerWaalsContact O-CG 3.28Å; A495-R499 WeakPolarHBondContact O-CG 3.46Å; A495-R499 PolarHBondContact O-N 3.31Å; K496-R499 PolarHBondContact O-N 3.45Å; K496-R499 VanDerWaalsContact O-N 3.16Å; K497-R499 VanDerWaalsContact C-N 3.26Å; K497-R499 PolarHBondContact O-N 2.93Å; R499-Q501 VanDerWaalsContact C-N 3.35Å; R499-N502 PolarHBondContact O-N 3.43Å; R499-F503 WeakPolarHBondContact O-CD2 3.49Å
500Q76.5Confident84Confident148 Ų148122 Ų12269%0.69258%0.579SS**Hα-helixtrans-74.3-19.4178.3-73.1177.7-36.200114.3K496 K497K496-Q500 WeakPolarHBondContact O-CG 3.23Å; K496-Q500 PolarHBondContact O-N 3.36Å; K497-Q500 CarbonylContact O-C 3.57Å; K497-Q500 PolarHBondContact O-N 2.98Å
501Q71.2Confident83.3Confident155 Ų155125.8 Ų125.872%0.72459%0.594SS**THydrogen-bonded Turntrans-85.4-7.2172-72.9-178.7-43.400113.9K497 R499K497-Q501 PolarHBondContact O-N 3.03Å; R499-Q501 VanDerWaalsContact C-N 3.35Å
502N61.6Low82.3Confident136 Ų136128.8 Ų128.873%0.72760%0.604SS**  trans-106.919.6-178.9-69.6-4.5000112.6R498 R499R498-N502 PolarHBondContact O-ND2 3.36Å; R499-N502 PolarHBondContact O-N 3.43Å
503F54.2Low81.3Confident246 Ų246136.1 Ų136.1100%1.07962%0.622SS**  trans-134.50173.6-84.1-79.4000109.4R499R499-F503 WeakPolarHBondContact O-CD2 3.49Å

Retrieved 503 of 503 residues in 698 ms (Link to these results)

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