A0A060XLV8_ONCMY Loading...

Jumonji domain containing 6, arginine demethylase and lysine hydroxylase

AlphaFold DB , UniProt , Accession A0A060XLV8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486581, Length 403 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
1M85Confident95.3Very high111 Ų11195.5 Ų95.555%0.54743%0.431SS..  0143.30-72.8-169.8-79.600111.7K6 I9 E119 S123M1-K6 HydrophobicContact CB-CG 4.18Å; M1-K6 HydrophobicContact CE-CG 4.33Å; M1-K6 HydrophobicContact SD-CG 4.33Å; M1-I9 HydrophobicContact SD-CD1 3.43Å; M1-I9 WeakPolarHBondContact SD-CD1 3.32Å; M1-E119 HydrophobicContact CG-CB 4.1Å; M1-S123 WeakPolarHBondContact CE-OG 3.47Å
2N92.4Very high95.5Very high87 Ų8788.2 Ų88.247%0.46540%0.4SS..  trans-89.6168.1168.464.162.3000112.4K4 S5 K6N2-K4 VanDerWaalsContact C-N 3.32Å; N2-K4 PolarHBondContact O-N 2.78Å; N2-K4 WeakPolarHBondContact OD1-CB 3.17Å; N2-K4 PolarHBondContact OD1-N 3.41Å; N2-K4 VanDerWaalsContact OD1-N 3.1Å; N2-S5 WeakPolarHBondContact O-CB 3.37Å; N2-S5 PolarHBondContact O-N 2.6Å; N2-S5 VanDerWaalsContact O-N 3.15Å; N2-S5 PolarHBondContact OD1-N 3.31Å; N2-K6 PolarHBondContact O-N 2.84Å; N2-K6 VanDerWaalsContact O-N 3.11Å
3H94.9Very high95.7Very high158 Ų15883.7 Ų83.773%0.73138%0.38SS*.Hα-helixtrans-55.9-40.5-178.9176.531000113.6S5 K6 K7H3-S5 VanDerWaalsContact C-N 3.3Å; H3-S5 PolarHBondContact O-N 3.02Å; H3-K6 PolarHBondContact O-N 3.48Å; H3-K7 PolarHBondContact O-N 3.46Å
4K95.5Very high95.8Very high137 Ų13789.6 Ų89.660%0.59640%0.397SS*.Hα-helixtrans-66.8-32.3-179.2-166.7168.7-169.3160.10112.4N2 R8N2-K4 VanDerWaalsContact C-N 3.32Å; N2-K4 PolarHBondContact O-N 2.78Å; N2-K4 WeakPolarHBondContact OD1-CB 3.17Å; N2-K4 PolarHBondContact OD1-N 3.41Å; N2-K4 VanDerWaalsContact OD1-N 3.1Å; K4-R8 VanDerWaalsContact O-CG 3.3Å; K4-R8 WeakPolarHBondContact O-CG 3.28Å; K4-R8 PolarHBondContact O-N 2.87Å
5S96.1Very high95.8Very high0 Ų087.3 Ų87.30%040%0.396CS..Hα-helixtrans-67.4-56.2171.9-159.20000110.6N2 H3 K7 R8 I9 E119N2-S5 WeakPolarHBondContact O-CB 3.37Å; N2-S5 PolarHBondContact O-N 2.6Å; N2-S5 VanDerWaalsContact O-N 3.15Å; N2-S5 PolarHBondContact OD1-N 3.31Å; H3-S5 VanDerWaalsContact C-N 3.3Å; H3-S5 PolarHBondContact O-N 3.02Å; S5-K7 VanDerWaalsContact C-N 3.27Å; S5-K7 PolarHBondContact O-N 3.25Å; S5-R8 PolarHBondContact O-N 2.75Å; S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 2.89Å; S5-E119 WeakPolarHBondContact CB-OE2 3.14Å; S5-E119 PolarHBondContact OG-OE2 3.36Å
6K96.5Very high95.8Very high126 Ų12681.9 Ų81.955%0.54837%0.372SS..Hα-helixtrans-51.4-43.2176-67.4-169.9176.5-169.30112.6M1 N2 H3 I9 K10M1-K6 HydrophobicContact CB-CG 4.18Å; M1-K6 HydrophobicContact CE-CG 4.33Å; M1-K6 HydrophobicContact SD-CG 4.33Å; N2-K6 PolarHBondContact O-N 2.84Å; N2-K6 VanDerWaalsContact O-N 3.11Å; H3-K6 PolarHBondContact O-N 3.48Å; K6-I9 PolarHBondContact O-N 3.16Å; K6-K10 PolarHBondContact O-N 3.04Å
7K97.6Very high95.8Very high115 Ų11577.6 Ų77.650%0.535%0.352SS..Hα-helixtrans-63.3-44.4177-179.1166.8-178.4166.50112.7H3 S5 I9 K10 E11H3-K7 PolarHBondContact O-N 3.46Å; S5-K7 VanDerWaalsContact C-N 3.27Å; S5-K7 PolarHBondContact O-N 3.25Å; K7-I9 VanDerWaalsContact C-N 3.33Å; K7-I9 PolarHBondContact O-N 2.84Å; K7-K10 PolarHBondContact O-N 3.19Å; K7-E11 WeakPolarHBondContact CE-OE1 3.41Å; K7-E11 WeakPolarHBondContact CG-OE1 3.24Å; K7-E11 VanDerWaalsContact O-CG 3.3Å; K7-E11 WeakPolarHBondContact O-CG 3.34Å; K7-E11 PolarHBondContact O-N 3.38Å
8R98Very high95.8Very high100 Ų10075.4 Ų75.438%0.37735%0.346SS..Hα-helixtrans-68.8-31179.9-73.1-77.4167.7-74.314.1112.6K4 S5 E11 A12 Y116K4-R8 VanDerWaalsContact O-CG 3.3Å; K4-R8 WeakPolarHBondContact O-CG 3.28Å; K4-R8 PolarHBondContact O-N 2.87Å; S5-R8 PolarHBondContact O-N 2.75Å; R8-E11 VanDerWaalsContact CD-OE2 3.22Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE1 3.67Å; R8-E11 IonicContact CZ-OE2 3.12Å; R8-E11 IonicContact NE-OE2 3.43Å; R8-E11 PolarHBondContact NE-OE2 3.41Å; R8-E11 IonicContact NH1-OE1 2.74Å; R8-E11 PolarHBondContact NH1-OE1 3.03Å; R8-E11 IonicContact NH1-OE2 2.62Å; R8-E11 PolarHBondContact NH1-OE2 2.96Å; R8-E11 IonicContact NH2-OE2 3.98Å; R8-A12 WeakPolarHBondContact O-CB 3.08Å; R8-A12 PolarHBondContact O-N 3.3Å; R8-Y116 HydrophobicContact CB-CD2 3.85Å; R8-Y116 HydrophobicContact CB-CE2 4.08Å; R8-Y116 HydrophobicContact CB-CG 4.44Å; R8-Y116 HydrophobicContact CG-CD2 4.09Å; R8-Y116 HydrophobicContact CG-CE2 3.77Å
9I97.9Very high95.7Very high14 Ų1474.7 Ų74.77%0.07234%0.343CS..Hα-helixtrans-68.5-48.9171.8-63.4162000110.4M1 S5 K6 K7 E11 A12 K13 M112 Y120M1-I9 HydrophobicContact SD-CD1 3.43Å; M1-I9 WeakPolarHBondContact SD-CD1 3.32Å; S5-I9 WeakPolarHBondContact O-CG1 3.34Å; S5-I9 PolarHBondContact O-N 2.89Å; K6-I9 PolarHBondContact O-N 3.16Å; K7-I9 VanDerWaalsContact C-N 3.33Å; K7-I9 PolarHBondContact O-N 2.84Å; I9-E11 VanDerWaalsContact C-N 3.31Å; I9-E11 PolarHBondContact O-N 3.47Å; I9-A12 PolarHBondContact O-N 2.62Å; I9-A12 VanDerWaalsContact O-N 3.16Å; I9-K13 HydrophobicContact CG2-CG 4.48Å; I9-K13 WeakPolarHBondContact O-CB 3.3Å; I9-K13 PolarHBondContact O-N 3.35Å; I9-M112 HydrophobicContact CG1-CE 4.18Å; I9-M112 HydrophobicContact CG1-SD 3.92Å; I9-Y120 HydrophobicContact CD1-CD2 4.44Å; I9-Y120 HydrophobicContact CG2-CD2 3.65Å; I9-Y120 HydrophobicContact CG2-CE2 4.16Å; I9-Y120 HydrophobicContact CG2-CG 4.37Å
10K97.2Very high95.7Very high130 Ų13071.3 Ų71.357%0.56533%0.328SS*.Hα-helixtrans-62.7-35178.4-173.1163.8-175.5164.40113.1K6 K7 R14K6-K10 PolarHBondContact O-N 3.04Å; K7-K10 PolarHBondContact O-N 3.19Å; K10-R14 WeakPolarHBondContact O-CB 3.32Å; K10-R14 PolarHBondContact O-N 2.9Å
11E97.4Very high95.5Very high72 Ų7274.5 Ų74.534%0.33634%0.341SS..Hα-helixtrans-64.2-49.1170.9-73163.5-178.400111.7K7 R8 I9 R14 S15K7-E11 WeakPolarHBondContact CE-OE1 3.41Å; K7-E11 WeakPolarHBondContact CG-OE1 3.24Å; K7-E11 VanDerWaalsContact O-CG 3.3Å; K7-E11 WeakPolarHBondContact O-CG 3.34Å; K7-E11 PolarHBondContact O-N 3.38Å; R8-E11 VanDerWaalsContact CD-OE2 3.22Å; R8-E11 WeakPolarHBondContact CD-OE2 3.49Å; R8-E11 IonicContact CZ-OE1 3.67Å; R8-E11 IonicContact CZ-OE2 3.12Å; R8-E11 IonicContact NE-OE2 3.43Å; R8-E11 PolarHBondContact NE-OE2 3.41Å; R8-E11 IonicContact NH1-OE1 2.74Å; R8-E11 PolarHBondContact NH1-OE1 3.03Å; R8-E11 IonicContact NH1-OE2 2.62Å; R8-E11 PolarHBondContact NH1-OE2 2.96Å; R8-E11 IonicContact NH2-OE2 3.98Å; I9-E11 VanDerWaalsContact C-N 3.31Å; I9-E11 PolarHBondContact O-N 3.47Å; E11-R14 PolarHBondContact O-N 2.67Å; E11-S15 PolarHBondContact O-N 3.46Å; E11-S15 VanDerWaalsContact O-N 3.13Å
12A97.9Very high95.9Very high8 Ų874 Ų747%0.06634%0.341CS..Hα-helixtrans-61.6-45.5179.200000112.3R8 I9 R14 S15 A16 V110 M112 L130R8-A12 WeakPolarHBondContact O-CB 3.08Å; R8-A12 PolarHBondContact O-N 3.3Å; I9-A12 PolarHBondContact O-N 2.62Å; I9-A12 VanDerWaalsContact O-N 3.16Å; A12-R14 PolarHBondContact O-N 3.41Å; A12-S15 PolarHBondContact O-N 2.6Å; A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.46Å; A12-A16 PolarHBondContact O-N 3.22Å; A12-V110 HydrophobicContact CB-CG1 4.12Å; A12-M112 HydrophobicContact CB-CE 4.29Å; A12-M112 HydrophobicContact CB-SD 4.24Å; A12-L130 HydrophobicContact CB-CD1 4.16Å
13K97.6Very high95.7Very high30 Ų3074.3 Ų74.313%0.1335%0.349CS..Hα-helixtrans-52.1-55.6173.6-80.8-165.1161.9-158.10112.1I9 S15 A16 R17 W26 D126 L130I9-K13 HydrophobicContact CG2-CG 4.48Å; I9-K13 WeakPolarHBondContact O-CB 3.3Å; I9-K13 PolarHBondContact O-N 3.35Å; K13-S15 VanDerWaalsContact C-N 3.3Å; K13-S15 PolarHBondContact O-N 3.43Å; K13-A16 PolarHBondContact O-N 3.29Å; K13-R17 PolarHBondContact O-N 2.77Å; K13-W26 HydrophobicContact CB-CH2 3.87Å; K13-W26 HydrophobicContact CB-CZ2 3.4Å; K13-W26 VanDerWaalsContact CB-CZ2 3.4Å; K13-W26 HydrophobicContact CD-CD2 3.69Å; K13-W26 HydrophobicContact CD-CE3 3.96Å; K13-W26 HydrophobicContact CD-CG 4.24Å; K13-W26 HydrophobicContact CD-CH2 4.13Å; K13-W26 HydrophobicContact CD-CZ2 3.84Å; K13-W26 HydrophobicContact CD-CZ3 4.18Å; K13-W26 VanDerWaalsContact CE-CE3 3.41Å; K13-W26 HydrophobicContact CG-CD2 4.28Å; K13-W26 HydrophobicContact CG-CE3 4.31Å; K13-W26 HydrophobicContact CG-CH2 3.62Å; K13-W26 HydrophobicContact CG-CZ2 3.55Å; K13-W26 HydrophobicContact CG-CZ3 4Å; K13-W26 VanDerWaalsContact NZ-CG 3.28Å; K13-D126 WeakPolarHBondContact CE-OD2 3.29Å; K13-D126 IonicContact NZ-OD1 2.65Å; K13-D126 PolarHBondContact NZ-OD1 3.09Å; K13-D126 IonicContact NZ-OD2 2.71Å; K13-D126 PolarHBondContact NZ-OD2 2.99Å; K13-L130 HydrophobicContact CG-CD1 3.89Å; K13-L130 HydrophobicContact CG-CG 4.37Å
14R96.8Very high95.7Very high167 Ų16770.2 Ų70.263%0.6334%0.338SS*.Hα-helixtrans-59.9-37-177.9177.6179.7-69.8-173.2-7.5113.2K10 E11 A12 P18K10-R14 WeakPolarHBondContact O-CB 3.32Å; K10-R14 PolarHBondContact O-N 2.9Å; E11-R14 PolarHBondContact O-N 2.67Å; A12-R14 PolarHBondContact O-N 3.41Å; R14-P18 WeakPolarHBondContact O-CA 3.41Å
15S96.6Very high95.7Very high54 Ų5465.3 Ų65.338%0.37832%0.319SS..Hα-helixtrans-76.6-36.7177.4-67.80000112.6E11 A12 K13 D104E11-S15 PolarHBondContact O-N 3.46Å; E11-S15 VanDerWaalsContact O-N 3.13Å; A12-S15 PolarHBondContact O-N 2.6Å; K13-S15 VanDerWaalsContact C-N 3.3Å; K13-S15 PolarHBondContact O-N 3.43Å; S15-D104 VanDerWaalsContact O-CA 3.31Å; S15-D104 WeakPolarHBondContact O-CA 3.27Å; S15-D104 WeakPolarHBondContact O-CB 3.39Å
16A95.7Very high95.8Very high1 Ų165.9 Ų65.91%0.00832%0.321CS..Hα-helixtrans-83.5-26.7-173.700000114.6A12 K13 E103 V110 L130 S349A12-A16 VanDerWaalsContact O-CB 3.24Å; A12-A16 WeakPolarHBondContact O-CB 3.46Å; A12-A16 PolarHBondContact O-N 3.22Å; K13-A16 PolarHBondContact O-N 3.29Å; A16-E103 WeakPolarHBondContact CA-O 3.21Å; A16-V110 HydrophobicContact CB-CB 4.32Å; A16-V110 HydrophobicContact CB-CG1 4.28Å; A16-V110 HydrophobicContact CB-CG2 4.23Å; A16-L130 HydrophobicContact CB-CD2 3.76Å; A16-S349 WeakPolarHBondContact O-CB 3.4Å; A16-S349 PolarHBondContact O-OG 2.76Å
17R96Very high95.8Very high9 Ų962.6 Ų62.63%0.03431%0.311CS..  trans-13869176.8-55.5-65.4-55.2-74.5-12.8110K13 E19 L20 W26 N227 Q228 E231 S349K13-R17 PolarHBondContact O-N 2.77Å; R17-E19 WeakPolarHBondContact CA-OE2 3.42Å; R17-E19 IonicContact CZ-OE1 2.75Å; R17-E19 IonicContact NE-OE1 2.92Å; R17-E19 PolarHBondContact NE-OE1 3.04Å; R17-E19 IonicContact NE-OE2 3.95Å; R17-E19 IonicContact NH2-OE1 2.71Å; R17-E19 PolarHBondContact NH2-OE1 3.29Å; R17-E19 PolarHBondContact O-N 2.92Å; R17-L20 HydrophobicContact CB-CB 4.26Å; R17-L20 HydrophobicContact CB-CD1 3.74Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.08Å; R17-L20 PolarHBondContact O-N 2.86Å; R17-L20 VanDerWaalsContact O-N 3.07Å; R17-W26 HydrophobicContact CB-CH2 3.84Å; R17-W26 HydrophobicContact CB-CZ2 3.67Å; R17-W26 HydrophobicContact CG-CH2 3.52Å; R17-W26 HydrophobicContact CG-CZ2 3.92Å; R17-W26 HydrophobicContact CG-CZ3 4.32Å; R17-N227 PolarHBondContact NH2-O 3.49Å; R17-Q228 VanDerWaalsContact CZ-OE1 3.3Å; R17-E231 IonicContact CZ-OE1 3.82Å; R17-E231 IonicContact NH1-OE1 2.79Å; R17-E231 PolarHBondContact NH1-OE1 3.19Å; R17-S349 WeakPolarHBondContact CD-OG 3.35Å
18P94.9Very high95.8Very high38 Ų3863.2 Ų63.225%0.24731%0.314CS..THydrogen-bonded Turntrans-68.6-10.4-175.227.8-33.3000114.5R14 K21 N105R14-P18 WeakPolarHBondContact O-CA 3.41Å; P18-K21 PolarHBondContact O-NZ 3.41Å; P18-N105 WeakPolarHBondContact CG-OD1 3.27Å
19E94.8Very high95.8Very high62 Ų6261.3 Ų61.329%0.2931%0.309SS..THydrogen-bonded Turntrans-74.2-28.8168.376.7-78.2-154.500113.1R17 K21 N227R17-E19 WeakPolarHBondContact CA-OE2 3.42Å; R17-E19 IonicContact CZ-OE1 2.75Å; R17-E19 IonicContact NE-OE1 2.92Å; R17-E19 PolarHBondContact NE-OE1 3.04Å; R17-E19 IonicContact NE-OE2 3.95Å; R17-E19 IonicContact NH2-OE1 2.71Å; R17-E19 PolarHBondContact NH2-OE1 3.29Å; R17-E19 PolarHBondContact O-N 2.92Å; E19-K21 WeakPolarHBondContact O-CD 3.27Å; E19-K21 VanDerWaalsContact O-CE 3.22Å; E19-K21 WeakPolarHBondContact O-CE 3.43Å; E19-K21 PolarHBondContact O-N 3.17Å; E19-N227 HydrophobicContact CG-CB 4.32Å
20L95.9Very high95.8Very high6 Ų664.2 Ų64.23%0.03133%0.325CS..  trans-84.4103.6174.5-52.5-177000109R17 D25 W26 N227R17-L20 HydrophobicContact CB-CB 4.26Å; R17-L20 HydrophobicContact CB-CD1 3.74Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.08Å; R17-L20 PolarHBondContact O-N 2.86Å; R17-L20 VanDerWaalsContact O-N 3.07Å; L20-D25 HydrophobicContact CB-CB 3.93Å; L20-D25 HydrophobicContact CD2-CB 4Å; L20-D25 HydrophobicContact CG-CB 4.5Å; L20-W26 HydrophobicContact CB-CZ2 4.39Å; L20-W26 HydrophobicContact CD1-CD2 3.82Å; L20-W26 HydrophobicContact CD1-CE3 4.24Å; L20-W26 HydrophobicContact CD1-CG 4.22Å; L20-W26 HydrophobicContact CD1-CH2 4.3Å; L20-W26 HydrophobicContact CD1-CZ2 3.91Å; L20-W26 HydrophobicContact CD1-CZ3 4.46Å; L20-N227 HydrophobicContact CD2-CB 4.11Å; L20-N227 VanDerWaalsContact CD2-ND2 3.3Å; L20-N227 WeakPolarHBondContact CD2-ND2 3.27Å
21K91.8Very high95.8Very high140 Ų14058.8 Ų58.861%0.60930%0.301SS*.  trans-82-48.9-167.1-50.6-53.6176.4-175.10111.7P18 E19 D25P18-K21 PolarHBondContact O-NZ 3.41Å; E19-K21 WeakPolarHBondContact O-CD 3.27Å; E19-K21 VanDerWaalsContact O-CE 3.22Å; E19-K21 WeakPolarHBondContact O-CE 3.43Å; E19-K21 PolarHBondContact O-N 3.17Å; K21-D25 WeakPolarHBondContact CA-OD2 3.25Å; K21-D25 PolarHBondContact N-OD2 2.59Å
22D91.4Very high95.8Very high101 Ų10156.9 Ų56.954%0.5430%0.295SS..SBendtrans-120.7168.8-172.2-77.1-58.5000112.4S24 D25D22-S24 PolarHBondContact O-N 2.93Å; D22-D25 PolarHBondContact N-OD2 2.54Å; D22-D25 PolarHBondContact O-N 2.81Å; D22-D25 VanDerWaalsContact O-N 3.13Å
23S89Confident95.7Very high93 Ų9362.6 Ų62.665%0.6532%0.321SS*.G310 helixtrans-63.6-27.6-176.239.40000113.4D25 W26S23-D25 VanDerWaalsContact C-N 3.31Å; S23-D25 PolarHBondContact O-N 2.95Å; S23-W26 PolarHBondContact O-N 3.11Å
24S94.2Very high95.7Very high71 Ų7165.7 Ų65.750%0.49734%0.342SS..G310 helixtrans-63.2-33.2173.944.40000113.1D22 W26 T27 K28D22-S24 PolarHBondContact O-N 2.93Å; S24-W26 PolarHBondContact O-N 2.63Å; S24-T27 CarbonylContact O-C 3.48Å; S24-T27 PolarHBondContact O-N 3.08Å; S24-T27 VanDerWaalsContact O-N 3.14Å; S24-K28 WeakPolarHBondContact O-CA 3.48Å; S24-K28 WeakPolarHBondContact O-CB 3.12Å; S24-K28 PolarHBondContact O-N 2.77Å
25D96.3Very high95.7Very high35 Ų3559.3 Ų59.319%0.18732%0.319CS..G310 helixtrans-68.3-19.6-179.6-59.5-33000112.6L20 K21 D22 S23 Q228L20-D25 HydrophobicContact CB-CB 3.93Å; L20-D25 HydrophobicContact CD2-CB 4Å; L20-D25 HydrophobicContact CG-CB 4.5Å; K21-D25 WeakPolarHBondContact CA-OD2 3.25Å; K21-D25 PolarHBondContact N-OD2 2.59Å; D22-D25 PolarHBondContact N-OD2 2.54Å; D22-D25 PolarHBondContact O-N 2.81Å; D22-D25 VanDerWaalsContact O-N 3.13Å; S23-D25 VanDerWaalsContact C-N 3.31Å; S23-D25 PolarHBondContact O-N 2.95Å; D25-Q228 PolarHBondContact O-NE2 3.36Å
26W97.9Very high95.6Very high11 Ų1160.5 Ų60.54%0.04232%0.322CS..G310 helixtrans-87.1-14.8176.8-7176.5000113.4K13 R17 L20 S23 S24 D126 D127 L130K13-W26 HydrophobicContact CB-CH2 3.87Å; K13-W26 HydrophobicContact CB-CZ2 3.4Å; K13-W26 VanDerWaalsContact CB-CZ2 3.4Å; K13-W26 HydrophobicContact CD-CD2 3.69Å; K13-W26 HydrophobicContact CD-CE3 3.96Å; K13-W26 HydrophobicContact CD-CG 4.24Å; K13-W26 HydrophobicContact CD-CH2 4.13Å; K13-W26 HydrophobicContact CD-CZ2 3.84Å; K13-W26 HydrophobicContact CD-CZ3 4.18Å; K13-W26 VanDerWaalsContact CE-CE3 3.41Å; K13-W26 HydrophobicContact CG-CD2 4.28Å; K13-W26 HydrophobicContact CG-CE3 4.31Å; K13-W26 HydrophobicContact CG-CH2 3.62Å; K13-W26 HydrophobicContact CG-CZ2 3.55Å; K13-W26 HydrophobicContact CG-CZ3 4Å; K13-W26 VanDerWaalsContact NZ-CG 3.28Å; R17-W26 HydrophobicContact CB-CH2 3.84Å; R17-W26 HydrophobicContact CB-CZ2 3.67Å; R17-W26 HydrophobicContact CG-CH2 3.52Å; R17-W26 HydrophobicContact CG-CZ2 3.92Å; R17-W26 HydrophobicContact CG-CZ3 4.32Å; L20-W26 HydrophobicContact CB-CZ2 4.39Å; L20-W26 HydrophobicContact CD1-CD2 3.82Å; L20-W26 HydrophobicContact CD1-CE3 4.24Å; L20-W26 HydrophobicContact CD1-CG 4.22Å; L20-W26 HydrophobicContact CD1-CH2 4.3Å; L20-W26 HydrophobicContact CD1-CZ2 3.91Å; L20-W26 HydrophobicContact CD1-CZ3 4.46Å; S23-W26 PolarHBondContact O-N 3.11Å; S24-W26 PolarHBondContact O-N 2.63Å; W26-D126 HydrophobicContact CE3-CB 4.27Å; W26-D126 CarbonylContact O-C 3.59Å; W26-D126 VanDerWaalsContact O-CA 3.25Å; W26-D126 WeakPolarHBondContact O-CA 3.26Å; W26-D127 PolarHBondContact O-N 2.92Å; W26-L130 HydrophobicContact CH2-CD2 3.72Å; W26-L130 HydrophobicContact CH2-CG 4.16Å; W26-L130 HydrophobicContact CZ3-CD2 4.06Å; W26-L130 HydrophobicContact CZ3-CG 4.1Å
27T97.8Very high95.5Very high57 Ų5762.6 Ų62.635%0.3533%0.334SS..SBendtrans-137.637-175.565.60000109.9S24S24-T27 CarbonylContact O-C 3.48Å; S24-T27 PolarHBondContact O-N 3.08Å; S24-T27 VanDerWaalsContact O-N 3.14Å
28K97.3Very high95.3Very high129 Ų12964.2 Ų64.256%0.56135%0.347SS*.SBendtrans-77.3-32.6-168.8-179.3-172.1168.7-155.40111.6S24 D127S24-K28 WeakPolarHBondContact O-CA 3.48Å; S24-K28 WeakPolarHBondContact O-CB 3.12Å; S24-K28 PolarHBondContact O-N 2.77Å; K28-D127 PolarHBondContact N-OD2 3.24Å
29H97.4Very high95.1Very high59 Ų5965.5 Ų65.527%0.27335%0.349SS..SBendtrans-98.6-5-175.8-47.385.5000112Y31 T34 D127H29-Y31 HydrophobicContact CB-CD1 3.8Å; H29-Y31 HydrophobicContact CB-CD2 3.92Å; H29-Y31 HydrophobicContact CB-CE1 3.57Å; H29-Y31 HydrophobicContact CB-CE2 3.67Å; H29-Y31 HydrophobicContact CB-CG 3.97Å; H29-Y31 VanDerWaalsContact CB-CZ 3.48Å; H29-Y31 AromaticContact CG-CE2 3.89Å; H29-Y31 AromaticContact CG-CZ 3.82Å; H29-Y31 PolarHBondContact O-N 3.45Å; H29-T34 PolarHBondContact O-OG1 2.94Å; H29-D127 IonicContact CE1-OD2 2.76Å; H29-D127 IonicContact CG-OD2 2.71Å; H29-D127 PolarHBondContact N-OD1 2.96Å; H29-D127 PolarHBondContact N-OD2 3.35Å; H29-D127 IonicContact ND1-OD2 3.22Å; H29-D127 PolarHBondContact ND1-OD2 3.32Å
30D97.5Very high94.7Very high75 Ų7574.2 Ų74.240%0.40138%0.379SS..  trans49.240.1-174.9-162.119.6000113C32 E33 T34 D127D30-C32 PolarHBondContact O-N 2.96Å; D30-E33 PolarHBondContact O-N 3.49Å; D30-T34 HydrophobicContact CB-CG2 4.39Å; D30-T34 WeakPolarHBondContact O-CB 3.35Å; D30-T34 WeakPolarHBondContact O-CG2 3.15Å; D30-T34 PolarHBondContact O-N 2.71Å; D30-T34 PolarHBondContact O-OG1 2.95Å; D30-D127 PolarHBondContact N-OD1 2.91Å
31Y98.1Very high94Very high16 Ų1676.4 Ų76.46%0.06340%0.395CS..Hα-helixtrans-65.2-9.2179.2-66.1-35.5000112.6H29 F35 D127 R181 I233 N237H29-Y31 HydrophobicContact CB-CD1 3.8Å; H29-Y31 HydrophobicContact CB-CD2 3.92Å; H29-Y31 HydrophobicContact CB-CE1 3.57Å; H29-Y31 HydrophobicContact CB-CE2 3.67Å; H29-Y31 HydrophobicContact CB-CG 3.97Å; H29-Y31 VanDerWaalsContact CB-CZ 3.48Å; H29-Y31 AromaticContact CG-CE2 3.89Å; H29-Y31 AromaticContact CG-CZ 3.82Å; H29-Y31 PolarHBondContact O-N 3.45Å; Y31-F35 HydrophobicContact CD1-CB 4.12Å; Y31-F35 HydrophobicContact CD1-CD2 4.38Å; Y31-F35 HydrophobicContact CG-CB 4.28Å; Y31-F35 WeakPolarHBondContact O-CB 3.42Å; Y31-F35 PolarHBondContact O-N 3.13Å; Y31-D127 HydrophobicContact CD2-CB 3.79Å; Y31-D127 HydrophobicContact CE2-CB 4.46Å; Y31-D127 PolarHBondContact N-OD1 2.75Å; Y31-R181 WeakPolarHBondContact O-CD 3.42Å; Y31-I233 HydrophobicContact CD2-CB 4.5Å; Y31-I233 HydrophobicContact CD2-CD1 3.7Å; Y31-I233 HydrophobicContact CD2-CG1 3.79Å; Y31-I233 HydrophobicContact CD2-CG2 3.93Å; Y31-I233 HydrophobicContact CE2-CG1 4.12Å; Y31-I233 HydrophobicContact CE2-CG2 4.04Å; Y31-I233 HydrophobicContact CG-CD1 3.83Å; Y31-I233 HydrophobicContact CG-CG1 4.22Å; Y31-N237 HydrophobicContact CE1-CB 4.44Å; Y31-N237 PolarHBondContact OH-ND2 3.07Å; Y31-N237 VanDerWaalsContact OH-ND2 3.09Å
32C96.9Very high94Very high32 Ų3270.6 Ų70.622%0.21637%0.372CS..Hα-helixtrans-64.7-41.1172.9-168.60000112.5D30 Q125D30-C32 PolarHBondContact O-N 2.96Å; C32-Q125 HydrophobicContact CB-CB 3.97Å; C32-Q125 HydrophobicContact CB-CG 4.47Å
33E96.8Very high94.1Very high129 Ų12971.4 Ų71.460%0.60337%0.371SS*.Hα-helixtrans-104.9-24.1-177.9-47.3-56.2130.500112.3D30 Q125D30-E33 PolarHBondContact O-N 3.49Å; E33-Q125 PolarHBondContact OE1-NE2 2.87Å
34T97.2Very high94.5Very high95 Ų9569.9 Ų69.958%0.58336%0.355SS*.Hα-helixtrans-98.5-22.2-172.663.20000116H29 D30H29-T34 PolarHBondContact O-OG1 2.94Å; D30-T34 HydrophobicContact CB-CG2 4.39Å; D30-T34 WeakPolarHBondContact O-CB 3.35Å; D30-T34 WeakPolarHBondContact O-CG2 3.15Å; D30-T34 PolarHBondContact O-N 2.71Å; D30-T34 PolarHBondContact O-OG1 2.95Å
35F96.7Very high94.7Very high32 Ų3270.7 Ų70.714%0.1435%0.354CS..SBendtrans-97.6121.2-174-170.1-80.8000112Y31 V37 I233 F236 N237 L276Y31-F35 HydrophobicContact CD1-CB 4.12Å; Y31-F35 HydrophobicContact CD1-CD2 4.38Å; Y31-F35 HydrophobicContact CG-CB 4.28Å; Y31-F35 WeakPolarHBondContact O-CB 3.42Å; Y31-F35 PolarHBondContact O-N 3.13Å; F35-V37 HydrophobicContact CD1-CG1 3.95Å; F35-V37 HydrophobicContact CE1-CG1 4.43Å; F35-V37 PolarHBondContact O-N 3.14Å; F35-I233 HydrophobicContact CB-CD1 4.14Å; F35-I233 HydrophobicContact CD1-CD1 3.94Å; F35-I233 HydrophobicContact CD1-CG1 4.36Å; F35-I233 HydrophobicContact CD2-CD1 4.03Å; F35-I233 HydrophobicContact CD2-CG1 3.86Å; F35-I233 HydrophobicContact CE1-CD1 4.4Å; F35-I233 HydrophobicContact CE1-CG1 4.43Å; F35-I233 HydrophobicContact CE2-CD1 4.47Å; F35-I233 HydrophobicContact CE2-CG1 3.92Å; F35-I233 HydrophobicContact CG-CD1 3.75Å; F35-I233 HydrophobicContact CG-CG1 4.1Å; F35-I233 HydrophobicContact CZ-CG1 4.22Å; F35-F236 HydrophobicContact CE2-CB 4.35Å; F35-F236 HydrophobicContact CZ-CB 3.89Å; F35-N237 HydrophobicContact CE2-CB 4.21Å; F35-L276 HydrophobicContact CE1-CD2 3.72Å; F35-L276 HydrophobicContact CZ-CD2 4.01Å
36D94.8Very high94.8Very high80 Ų8069.7 Ų69.743%0.42835%0.349SS..  trans-68.7105.8178.8-178.436.5000112.3S38 S41D36-S38 WeakPolarHBondContact OD1-CA 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.36Å; D36-S38 PolarHBondContact OD1-N 3.18Å; D36-S38 PolarHBondContact OD1-OG 3.15Å; D36-S38 PolarHBondContact OD2-OG 2.72Å; D36-S41 VanDerWaalsContact OD2-CB 3.32Å; D36-S41 WeakPolarHBondContact OD2-CB 3.23Å; D36-S41 PolarHBondContact OD2-OG 3.01Å
37V92.8Very high94.8Very high44 Ų4472.2 Ų72.227%0.26736%0.361SS..  trans-95.214.7168.2-60.20000112.9F35 R181 M278F35-V37 HydrophobicContact CD1-CG1 3.95Å; F35-V37 HydrophobicContact CE1-CG1 4.43Å; F35-V37 PolarHBondContact O-N 3.14Å; V37-R181 HydrophobicContact CG1-CG 4.09Å; V37-M278 HydrophobicContact CB-CE 4.47Å; V37-M278 WeakPolarHBondContact CB-O 3.45Å
38S91.4Very high94.9Very high44 Ų4473.4 Ų73.431%0.30836%0.359SS..  trans-67.3146.4173.286.70000111.8D36 R40 S41 M278D36-S38 WeakPolarHBondContact OD1-CA 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.36Å; D36-S38 PolarHBondContact OD1-N 3.18Å; D36-S38 PolarHBondContact OD1-OG 3.15Å; D36-S38 PolarHBondContact OD2-OG 2.72Å; S38-R40 PolarHBondContact O-N 3.06Å; S38-S41 PolarHBondContact O-OG 3.16Å; S38-M278 WeakPolarHBondContact O-CE 3.38Å
39H91.1Very high94.9Very high65 Ų6568 Ų6830%0.30134%0.337SS..G310 helixtrans-76.6-9.9177.5-53.4162.9000112.6H203 L258H39-H203 AromaticContact CE1-CD2 3.78Å; H39-H203 AromaticContact CE1-CE1 3.61Å; H39-H203 AromaticContact CE1-CG 3.32Å; H39-H203 AromaticContact CE1-ND1 3.2Å; H39-H203 PolarHBondContact CE1-ND1 2.95Å; H39-H203 AromaticContact CE1-NE2 3.95Å; H39-H203 AromaticContact ND1-CD2 3.9Å; H39-H203 AromaticContact ND1-CG 3.88Å; H39-H203 AromaticContact NE2-CG 3.76Å; H39-H203 AromaticContact NE2-ND1 3.86Å; H39-L258 HydrophobicContact CB-CD1 4.35Å; H39-L258 HydrophobicContact CB-CD2 3.9Å
40R86.9Confident95Very high244 Ų24467 Ų6792%0.92133%0.334SS*.G310 helixtrans-77.9-24.5-172.1-62.8-178.3-179.8-177.50.5113.4S38S38-R40 PolarHBondContact O-N 3.06Å
41S81Confident94.9Very high52 Ų5264.6 Ų64.636%0.36432%0.321SS..G310 helixtrans-93.30.4-179.659.40000113.3D36 S38 R205D36-S41 VanDerWaalsContact OD2-CB 3.32Å; D36-S41 WeakPolarHBondContact OD2-CB 3.23Å; D36-S41 PolarHBondContact OD2-OG 3.01Å; S38-S41 PolarHBondContact O-OG 3.16Å; S41-R205 PolarHBondContact O-NH2 3.18Å
42V91.8Very high94.7Very high19 Ų1970 Ų7012%0.11535%0.351CS..  trans-88.7125.4179.2-171.50000109.6R205 L258 M278V42-R205 HydrophobicContact CG1-CG 3.9Å; V42-R205 HydrophobicContact CG2-CG 4.34Å; V42-L258 HydrophobicContact CB-CB 4.35Å; V42-L258 HydrophobicContact CB-CD1 4.44Å; V42-L258 HydrophobicContact CG1-CB 3.82Å; V42-L258 HydrophobicContact CG1-CD1 4.38Å; V42-L258 HydrophobicContact CG2-CD1 4.33Å; V42-M278 HydrophobicContact CG2-CE 3.82Å
43K93.4Very high94.7Very high118 Ų11878.4 Ų78.451%0.51338%0.378SS..  trans-83.7149.7168-63.5173.7178.9178.30108.5E256K43-E256 WeakPolarHBondContact O-CB 3.29Å
44D97.8Very high94.7Very high60 Ų6072.6 Ų72.632%0.32135%0.351SS..  trans-133.7131171.5-164.5-53.6000108.3V46 R48 E256 I257 L258D44-V46 PolarHBondContact OD1-N 2.67Å; D44-R48 IonicContact OD1-CZ 2.64Å; D44-R48 IonicContact OD1-NH1 3.06Å; D44-R48 PolarHBondContact OD1-NH1 3.15Å; D44-R48 IonicContact OD2-CZ 3.75Å; D44-R48 VanDerWaalsContact OD2-CZ 3.3Å; D44-R48 IonicContact OD2-NH1 2.72Å; D44-R48 PolarHBondContact OD2-NH1 3.35Å; D44-R48 IonicContact OD2-NH2 2.71Å; D44-R48 PolarHBondContact OD2-NH2 3Å; D44-E256 WeakPolarHBondContact CA-O 3.35Å; D44-I257 WeakPolarHBondContact OD2-CA 3.29Å; D44-L258 PolarHBondContact OD2-N 3.3Å
45N97.9Very high94.8Very high89 Ų8970.9 Ų70.948%0.47634%0.343SS..  trans-137.514.2-175.866.315.4000113.4P254 L255 E256N45-P254 PolarHBondContact ND2-O 3.05Å; N45-P254 VanDerWaalsContact ND2-O 3.09Å; N45-L255 VanDerWaalsContact OD1-CA 3.27Å; N45-L255 WeakPolarHBondContact OD1-CA 3.46Å; N45-E256 PolarHBondContact N-O 3.4Å; N45-E256 PolarHBondContact OD1-N 3.02Å; N45-E256 PolarHBondContact OD1-O 3.01Å
46V98.4Very high94.8Very high13 Ų1371.3 Ų71.38%0.07935%0.352CS..SBendtrans-102140.7-175.4177.20000112D44 R48 V71 L255 I257D44-V46 PolarHBondContact OD1-N 2.67Å; V46-R48 PolarHBondContact O-N 2.89Å; V46-V71 HydrophobicContact CG1-CG2 4.03Å; V46-L255 HydrophobicContact CG2-CB 3.81Å; V46-L255 HydrophobicContact CG2-CD1 4.38Å; V46-L255 HydrophobicContact CG2-CD2 4.36Å; V46-L255 HydrophobicContact CG2-CG 4.41Å; V46-I257 HydrophobicContact CB-CD1 4.28Å; V46-I257 HydrophobicContact CB-CG1 3.99Å; V46-I257 HydrophobicContact CG1-CD1 4.22Å; V46-I257 HydrophobicContact CG1-CG1 4.48Å; V46-I257 HydrophobicContact CG2-CD1 4.08Å; V46-I257 HydrophobicContact CG2-CG1 3.64Å
47E98.6Very high94.9Very high64 Ų6471.7 Ų71.730%0.29935%0.351SS..  trans-59.5130.2178.6-172.7177.2159.500111.3V49 R62 F63 K68 V70 V71E47-V49 HydrophobicContact CG-CG2 3.96Å; E47-R62 IonicContact OE1-CZ 2.83Å; E47-R62 IonicContact OE1-NH2 2.74Å; E47-R62 PolarHBondContact OE1-NH2 2.91Å; E47-F63 WeakPolarHBondContact OE1-CZ 3.5Å; E47-K68 WeakPolarHBondContact OE2-CE 3.43Å; E47-K68 IonicContact OE2-NZ 2.75Å; E47-K68 PolarHBondContact OE2-NZ 3.3Å; E47-V70 HydrophobicContact CB-CG2 4.34Å; E47-V70 HydrophobicContact CG-CG2 4.48Å; E47-V70 VanDerWaalsContact O-CG2 3.26Å; E47-V70 WeakPolarHBondContact O-CG2 3.19Å; E47-V71 PolarHBondContact O-N 3.44Å
48R98.8Very high95.1Very high83 Ų8373.5 Ų73.531%0.31336%0.357SS..EExtended strand (participates in β ladder)trans-106.1131.7172-85170.3176.479.1-3.7110.1D44 V46 V71 L73 L258 E263D44-R48 IonicContact OD1-CZ 2.64Å; D44-R48 IonicContact OD1-NH1 3.06Å; D44-R48 PolarHBondContact OD1-NH1 3.15Å; D44-R48 IonicContact OD2-CZ 3.75Å; D44-R48 VanDerWaalsContact OD2-CZ 3.3Å; D44-R48 IonicContact OD2-NH1 2.72Å; D44-R48 PolarHBondContact OD2-NH1 3.35Å; D44-R48 IonicContact OD2-NH2 2.71Å; D44-R48 PolarHBondContact OD2-NH2 3Å; V46-R48 PolarHBondContact O-N 2.89Å; R48-V71 WeakPolarHBondContact CA-O 3.43Å; R48-V71 HydrophobicContact CG-CB 3.65Å; R48-V71 HydrophobicContact CG-CG1 3.85Å; R48-V71 HydrophobicContact CG-CG2 4.4Å; R48-L73 HydrophobicContact CB-CD1 4.28Å; R48-L73 HydrophobicContact CB-CG 4.41Å; R48-L73 HydrophobicContact CG-CD2 4.25Å; R48-L258 PolarHBondContact NH2-O 3.36Å; R48-E263 IonicContact CZ-OE1 3.53Å; R48-E263 IonicContact CZ-OE2 3.13Å; R48-E263 IonicContact NE-OE1 3.58Å; R48-E263 PolarHBondContact NE-OE1 3.41Å; R48-E263 IonicContact NE-OE2 3.63Å; R48-E263 IonicContact NH2-OE1 3.55Å; R48-E263 IonicContact NH2-OE2 3.26Å; R48-E263 PolarHBondContact NH2-OE2 3.09Å
49V98.3Very high95.5Very high15 Ų1571.4 Ų71.49%0.09134%0.343CS..EExtended strand (participates in β ladder)trans-130.9130.9-178.2-171.50000111.3E47 T51 L54 F63 V70 V71 L73E47-V49 HydrophobicContact CG-CG2 3.96Å; V49-T51 PolarHBondContact O-N 3.09Å; V49-L54 HydrophobicContact CG1-CB 4.1Å; V49-L54 HydrophobicContact CG1-CD1 4.27Å; V49-L54 HydrophobicContact CG1-CD2 3.96Å; V49-L54 HydrophobicContact CG1-CG 4.34Å; V49-F63 HydrophobicContact CG2-CE2 4.1Å; V49-F63 HydrophobicContact CG2-CZ 3.69Å; V49-V70 HydrophobicContact CB-CG2 4.44Å; V49-V70 HydrophobicContact CG2-CG2 3.71Å; V49-V71 PolarHBondContact N-O 2.83Å; V49-L73 PolarHBondContact O-N 2.84Å
50D97.9Very high95.8Very high39 Ų3970.3 Ų70.321%0.20934%0.338CS..EExtended strand (participates in β ladder)trans-72.7116.2172.2177.314.3000111L52 R53 N74D50-L52 PolarHBondContact O-N 3.47Å; D50-L52 VanDerWaalsContact OD1-CB 3.27Å; D50-L52 WeakPolarHBondContact OD1-CB 3.28Å; D50-L52 VanDerWaalsContact OD1-CG 3.32Å; D50-L52 WeakPolarHBondContact OD1-CG 3.27Å; D50-L52 PolarHBondContact OD1-N 3.45Å; D50-R53 CarbonylContact O-C 3.55Å; D50-R53 PolarHBondContact O-N 2.96Å; D50-R53 IonicContact OD2-NE 3.62Å; D50-N74 PolarHBondContact OD1-ND2 3.36Å
51T96.4Very high96.4Very high23 Ų2363.8 Ų63.814%0.14132%0.318CS..G310 helixtrans-72-12.9-179.955.60000114V49 R53 L72 L73 C75 Y155V49-T51 PolarHBondContact O-N 3.09Å; T51-R53 PolarHBondContact O-N 2.77Å; T51-L72 HydrophobicContact CG2-CB 3.81Å; T51-L72 HydrophobicContact CG2-CD1 4.38Å; T51-L72 HydrophobicContact CG2-CD2 4.07Å; T51-L72 HydrophobicContact CG2-CG 4.31Å; T51-L73 WeakPolarHBondContact CB-O 3.48Å; T51-L73 WeakPolarHBondContact CG2-O 3.48Å; T51-L73 PolarHBondContact N-O 3.06Å; T51-L73 PolarHBondContact OG1-O 2.8Å; T51-C75 PolarHBondContact OG1-N 3.5Å; T51-Y155 WeakPolarHBondContact CB-OH 3.49Å; T51-Y155 HydrophobicContact CG2-CE2 3.56Å; T51-Y155 WeakPolarHBondContact CG2-OH 3.39Å; T51-Y155 PolarHBondContact O-OH 3.29Å
52L94.6Very high97.2Very high131 Ų13166.4 Ų66.469%0.68632%0.32SS*.G310 helixtrans-68.2-11.7167.4-54.3175.4000112.4D50 N74D50-L52 PolarHBondContact O-N 3.47Å; D50-L52 VanDerWaalsContact OD1-CB 3.27Å; D50-L52 WeakPolarHBondContact OD1-CB 3.28Å; D50-L52 VanDerWaalsContact OD1-CG 3.32Å; D50-L52 WeakPolarHBondContact OD1-CG 3.27Å; D50-L52 PolarHBondContact OD1-N 3.45Å; L52-N74 HydrophobicContact CD1-CB 4.45Å; L52-N74 HydrophobicContact CG-CB 4.16Å
53R96Very high97.5Very high208 Ų20865.6 Ų65.679%0.78532%0.315SS*.G310 helixtrans-13024.3-178.4-54.2-177.2-171.7-160.3-1.7112.9D50 T51D50-R53 CarbonylContact O-C 3.55Å; D50-R53 PolarHBondContact O-N 2.96Å; D50-R53 IonicContact OD2-NE 3.62Å; T51-R53 PolarHBondContact O-N 2.77Å
54L97.6Very high97.8Very high7 Ų760.3 Ų60.34%0.03729%0.292CS..  trans-136.7106.3179.9-17572.6000110.4V49 E58 F59 F63 L72 Y155V49-L54 HydrophobicContact CG1-CB 4.1Å; V49-L54 HydrophobicContact CG1-CD1 4.27Å; V49-L54 HydrophobicContact CG1-CD2 3.96Å; V49-L54 HydrophobicContact CG1-CG 4.34Å; L54-E58 HydrophobicContact CD1-CB 3.73Å; L54-F59 HydrophobicContact CD2-CB 3.89Å; L54-F59 HydrophobicContact CD2-CD2 4.06Å; L54-F59 HydrophobicContact CD2-CG 4.47Å; L54-F59 HydrophobicContact CG-CB 4.15Å; L54-F63 HydrophobicContact CD1-CE2 4.23Å; L54-F63 HydrophobicContact CD2-CD2 4.45Å; L54-F63 HydrophobicContact CD2-CE2 4.18Å; L54-L72 HydrophobicContact CD2-CD2 4.01Å; L54-Y155 HydrophobicContact CD2-CE1 4.24Å; L54-Y155 HydrophobicContact CG-CE1 4.32Å; L54-Y155 WeakPolarHBondContact O-CE1 3.35Å; L54-Y155 PolarHBondContact O-OH 3.43Å
55S97.8Very high97.8Very high58 Ų5863.9 Ų63.941%0.40630%0.301SS..  trans-69164.5172.470.60000112E57 E58 F59S55-E57 VanDerWaalsContact C-N 3.35Å; S55-E57 PolarHBondContact O-N 3.26Å; S55-E58 WeakPolarHBondContact CB-OE2 3.37Å; S55-E58 PolarHBondContact N-OE2 3.04Å; S55-E58 PolarHBondContact O-N 2.83Å; S55-E58 VanDerWaalsContact OG-CG 3.28Å; S55-E58 WeakPolarHBondContact OG-CG 3.42Å; S55-E58 PolarHBondContact OG-N 2.78Å; S55-E58 PolarHBondContact OG-OE2 3.12Å; S55-F59 PolarHBondContact O-N 3.34Å
56A96.8Very high97.8Very high41 Ų4163.2 Ų63.234%0.33930%0.302SS..Hα-helixtrans-62.5-39.8178.700000112.5F59 I60A56-F59 PolarHBondContact O-N 3.09Å; A56-I60 VanDerWaalsContact O-CG1 3.3Å; A56-I60 WeakPolarHBondContact O-CG1 3.4Å; A56-I60 PolarHBondContact O-N 3.01Å
57E97.4Very high97.8Very high88 Ų8864.8 Ų64.841%0.41131%0.307SS..Hα-helixtrans-69.5-40.1178.1-177.458.6-15300111.6S55 F59 I60 Q61 R65S55-E57 VanDerWaalsContact C-N 3.35Å; S55-E57 PolarHBondContact O-N 3.26Å; E57-F59 VanDerWaalsContact C-N 3.3Å; E57-F59 PolarHBondContact O-N 3.39Å; E57-I60 PolarHBondContact O-N 3.06Å; E57-Q61 HydrophobicContact CG-CG 4.38Å; E57-Q61 WeakPolarHBondContact O-CB 3.33Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.29Å; E57-Q61 WeakPolarHBondContact OE1-CG 3.5Å; E57-Q61 PolarHBondContact OE1-NE2 3.02Å; E57-R65 IonicContact OE1-NH2 3.87Å; E57-R65 PolarHBondContact OE1-NH2 3.01Å; E57-R65 VanDerWaalsContact OE1-NH2 3.16Å
58E98.2Very high97.8Very high83 Ų8366.1 Ų66.139%0.38831%0.311SS..Hα-helixtrans-62.6-37.3174-71.3166.5109.200112.2L54 S55 Q61 R62L54-E58 HydrophobicContact CD1-CB 3.73Å; S55-E58 WeakPolarHBondContact CB-OE2 3.37Å; S55-E58 PolarHBondContact N-OE2 3.04Å; S55-E58 PolarHBondContact O-N 2.83Å; S55-E58 VanDerWaalsContact OG-CG 3.28Å; S55-E58 WeakPolarHBondContact OG-CG 3.42Å; S55-E58 PolarHBondContact OG-N 2.78Å; S55-E58 PolarHBondContact OG-OE2 3.12Å; E58-Q61 PolarHBondContact O-N 2.85Å; E58-R62 VanDerWaalsContact O-CB 3.24Å; E58-R62 WeakPolarHBondContact O-CB 3.35Å; E58-R62 WeakPolarHBondContact O-CG 3.37Å; E58-R62 PolarHBondContact O-N 3.48Å
59F98.6Very high97.8Very high0 Ų062.3 Ų62.30%030%0.298CS..Hα-helixtrans-62.7-45.5172.9171-92.8000111.7L54 S55 A56 E57 Q61 F63 E64 V70 L72 Y155 F156 F266L54-F59 HydrophobicContact CD2-CB 3.89Å; L54-F59 HydrophobicContact CD2-CD2 4.06Å; L54-F59 HydrophobicContact CD2-CG 4.47Å; L54-F59 HydrophobicContact CG-CB 4.15Å; S55-F59 PolarHBondContact O-N 3.34Å; A56-F59 PolarHBondContact O-N 3.09Å; E57-F59 VanDerWaalsContact C-N 3.3Å; E57-F59 PolarHBondContact O-N 3.39Å; F59-Q61 VanDerWaalsContact C-N 3.35Å; F59-Q61 PolarHBondContact O-N 2.73Å; F59-F63 HydrophobicContact CD2-CB 4.12Å; F59-F63 AromaticContact CD2-CD2 3.79Å; F59-F63 HydrophobicContact CD2-CD2 3.79Å; F59-F63 HydrophobicContact CD2-CG 4.37Å; F59-F63 HydrophobicContact CE2-CB 3.9Å; F59-F63 HydrophobicContact CE2-CD2 4.29Å; F59-F63 HydrophobicContact CE2-CG 4.45Å; F59-F63 HydrophobicContact CZ-CB 4.4Å; F59-F63 WeakPolarHBondContact O-CB 3.29Å; F59-F63 PolarHBondContact O-N 2.88Å; F59-E64 HydrophobicContact CD1-CB 4.39Å; F59-E64 HydrophobicContact CE1-CB 3.85Å; F59-E64 HydrophobicContact CE1-CG 4.37Å; F59-E64 HydrophobicContact CZ-CB 4.44Å; F59-E64 PolarHBondContact O-N 2.91Å; F59-E64 VanDerWaalsContact O-N 3.17Å; F59-V70 HydrophobicContact CE2-CG1 4.05Å; F59-L72 HydrophobicContact CD2-CD1 4.42Å; F59-L72 HydrophobicContact CD2-CD2 4.28Å; F59-L72 HydrophobicContact CE2-CD1 4.14Å; F59-L72 HydrophobicContact CE2-CD2 4.38Å; F59-Y155 HydrophobicContact CB-CD1 3.4Å; F59-Y155 VanDerWaalsContact CB-CD1 3.4Å; F59-Y155 HydrophobicContact CB-CE1 3.72Å; F59-Y155 HydrophobicContact CB-CG 4.32Å; F59-Y155 AromaticContact CD1-CD1 3.87Å; F59-Y155 HydrophobicContact CD1-CD1 3.87Å; F59-Y155 HydrophobicContact CD1-CG 4.1Å; F59-Y155 HydrophobicContact CD2-CD1 4.16Å; F59-Y155 HydrophobicContact CD2-CG 4.3Å; F59-Y155 AromaticContact CG-CD1 3.52Å; F59-Y155 HydrophobicContact CG-CD1 3.52Å; F59-Y155 HydrophobicContact CG-CE1 4.21Å; F59-Y155 AromaticContact CG-CG 3.95Å; F59-Y155 HydrophobicContact CG-CG 3.95Å; F59-F156 HydrophobicContact CE1-CE1 4.01Å; F59-F156 HydrophobicContact CE2-CE1 4.43Å; F59-F156 AromaticContact CZ-CE1 3.67Å; F59-F156 HydrophobicContact CZ-CE1 3.67Å; F59-F156 HydrophobicContact CZ-CZ 4.26Å; F59-F266 HydrophobicContact CE2-CB 4.41Å; F59-F266 HydrophobicContact CE2-CD1 4.05Å; F59-F266 HydrophobicContact CE2-CG 4.16Å; F59-F266 HydrophobicContact CZ-CB 4.43Å; F59-F266 AromaticContact CZ-CD1 3.77Å; F59-F266 HydrophobicContact CZ-CD1 3.77Å; F59-F266 AromaticContact CZ-CD2 3.99Å; F59-F266 HydrophobicContact CZ-CD2 3.99Å; F59-F266 AromaticContact CZ-CE1 3.95Å; F59-F266 HydrophobicContact CZ-CE1 3.95Å; F59-F266 HydrophobicContact CZ-CE2 4.19Å; F59-F266 AromaticContact CZ-CG 3.79Å; F59-F266 HydrophobicContact CZ-CG 3.79Å; F59-F266 HydrophobicContact CZ-CZ 4.17Å
60I98.4Very high97.8Very high41 Ų4161.6 Ų61.621%0.2129%0.293CS..Iπ-helixtrans-60.8-46.5177.4-66.2165.6000109.9A56 E57 E64 R65A56-I60 VanDerWaalsContact O-CG1 3.3Å; A56-I60 WeakPolarHBondContact O-CG1 3.4Å; A56-I60 PolarHBondContact O-N 3.01Å; E57-I60 PolarHBondContact O-N 3.06Å; I60-E64 PolarHBondContact O-N 2.89Å; I60-R65 HydrophobicContact CG2-CB 4.38Å; I60-R65 WeakPolarHBondContact O-CB 3.36Å; I60-R65 PolarHBondContact O-N 3.25Å
61Q98.4Very high97.9Very high108 Ų10859.8 Ų59.851%0.50528%0.283SS..Iπ-helixtrans-68.5-39.8-178.4-69.1-179.813.200113.6E57 E58 F59 P66E57-Q61 HydrophobicContact CG-CG 4.38Å; E57-Q61 WeakPolarHBondContact O-CB 3.33Å; E57-Q61 WeakPolarHBondContact O-CG 3.49Å; E57-Q61 PolarHBondContact O-N 3.29Å; E57-Q61 WeakPolarHBondContact OE1-CG 3.5Å; E57-Q61 PolarHBondContact OE1-NE2 3.02Å; E58-Q61 PolarHBondContact O-N 2.85Å; F59-Q61 VanDerWaalsContact C-N 3.35Å; F59-Q61 PolarHBondContact O-N 2.73Å; Q61-P66 WeakPolarHBondContact O-CD 3.28Å
62R98.5Very high98Very high107 Ų10758.7 Ų58.740%0.40428%0.277SS..Iπ-helixtrans-87.9-27.8-175-70.2172.359.2175.2-1.5114.7E47 E58 P66E47-R62 IonicContact OE1-CZ 2.83Å; E47-R62 IonicContact OE1-NH2 2.74Å; E47-R62 PolarHBondContact OE1-NH2 2.91Å; E58-R62 VanDerWaalsContact O-CB 3.24Å; E58-R62 WeakPolarHBondContact O-CB 3.35Å; E58-R62 WeakPolarHBondContact O-CG 3.37Å; E58-R62 PolarHBondContact O-N 3.48Å; R62-P66 VanDerWaalsContact C-CG 3.48Å; R62-P66 VanDerWaalsContact O-CG 3.25Å; R62-P66 WeakPolarHBondContact O-CG 3.41Å
63F98.6Very high98.2Very high1 Ų154.8 Ų54.80%0.00426%0.256CS..Iπ-helixtrans-130.2-52.8-168.2-54.7-64.8000113.6E47 V49 L54 F59 Y67 K68 V70 F266E47-F63 WeakPolarHBondContact OE1-CZ 3.5Å; V49-F63 HydrophobicContact CG2-CE2 4.1Å; V49-F63 HydrophobicContact CG2-CZ 3.69Å; L54-F63 HydrophobicContact CD1-CE2 4.23Å; L54-F63 HydrophobicContact CD2-CD2 4.45Å; L54-F63 HydrophobicContact CD2-CE2 4.18Å; F59-F63 HydrophobicContact CD2-CB 4.12Å; F59-F63 AromaticContact CD2-CD2 3.79Å; F59-F63 HydrophobicContact CD2-CD2 3.79Å; F59-F63 HydrophobicContact CD2-CG 4.37Å; F59-F63 HydrophobicContact CE2-CB 3.9Å; F59-F63 HydrophobicContact CE2-CD2 4.29Å; F59-F63 HydrophobicContact CE2-CG 4.45Å; F59-F63 HydrophobicContact CZ-CB 4.4Å; F59-F63 WeakPolarHBondContact O-CB 3.29Å; F59-F63 PolarHBondContact O-N 2.88Å; F63-Y67 PolarHBondContact O-N 3.19Å; F63-K68 HydrophobicContact CD1-CB 4.47Å; F63-K68 HydrophobicContact CD1-CD 4.18Å; F63-K68 HydrophobicContact CD1-CG 4.33Å; F63-K68 HydrophobicContact CE1-CD 4.36Å; F63-K68 PolarHBondContact O-N 2.86Å; F63-V70 HydrophobicContact CB-CG1 4.02Å; F63-V70 HydrophobicContact CD1-CB 3.59Å; F63-V70 HydrophobicContact CD1-CG1 3.87Å; F63-V70 HydrophobicContact CD1-CG2 3.89Å; F63-V70 HydrophobicContact CD2-CG1 4.08Å; F63-V70 HydrophobicContact CE1-CB 3.85Å; F63-V70 HydrophobicContact CE1-CG1 4.41Å; F63-V70 HydrophobicContact CE1-CG2 3.6Å; F63-V70 HydrophobicContact CE2-CG2 4.26Å; F63-V70 HydrophobicContact CG-CB 3.98Å; F63-V70 HydrophobicContact CG-CG1 3.69Å; F63-V70 HydrophobicContact CG-CG2 4.34Å; F63-V70 HydrophobicContact CZ-CB 4.44Å; F63-V70 HydrophobicContact CZ-CG2 3.82Å; F63-F266 HydrophobicContact CB-CD1 4.32Å; F63-F266 HydrophobicContact CB-CE1 4.31Å
64E98.5Very high98.3Very high7 Ų747.9 Ų47.93%0.03324%0.235CC..Iπ-helixtrans-70.9-54.1-174.3-157.3-168.2-151.500112.5F59 I60 Y67 F266 F288 S290 T292F59-E64 HydrophobicContact CD1-CB 4.39Å; F59-E64 HydrophobicContact CE1-CB 3.85Å; F59-E64 HydrophobicContact CE1-CG 4.37Å; F59-E64 HydrophobicContact CZ-CB 4.44Å; F59-E64 PolarHBondContact O-N 2.91Å; F59-E64 VanDerWaalsContact O-N 3.17Å; I60-E64 PolarHBondContact O-N 2.89Å; E64-Y67 WeakPolarHBondContact O-CD2 3.17Å; E64-Y67 PolarHBondContact O-N 3.3Å; E64-F266 HydrophobicContact CB-CZ 4.29Å; E64-F266 HydrophobicContact CG-CZ 3.92Å; E64-F288 WeakPolarHBondContact OE1-CE2 3.4Å; E64-S290 WeakPolarHBondContact OE1-CB 3.49Å; E64-S290 PolarHBondContact OE1-OG 2.92Å; E64-T292 HydrophobicContact CB-CG2 4.46Å; E64-T292 HydrophobicContact CG-CG2 4Å; E64-T292 WeakPolarHBondContact OE2-CB 3.48Å; E64-T292 PolarHBondContact OE2-OG1 3.04Å
65R98.1Very high98.1Very high136 Ų13648.1 Ų48.151%0.51324%0.237SC..THydrogen-bonded Turntrans-63-39.2-178.6-163.8-179.2-60.5159.17.6113.6E57 I60 Y67 T292E57-R65 IonicContact OE1-NH2 3.87Å; E57-R65 PolarHBondContact OE1-NH2 3.01Å; E57-R65 VanDerWaalsContact OE1-NH2 3.16Å; I60-R65 HydrophobicContact CG2-CB 4.38Å; I60-R65 WeakPolarHBondContact O-CB 3.36Å; I60-R65 PolarHBondContact O-N 3.25Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; R65-T292 HydrophobicContact CB-CG2 4.27Å
66P98.1Very high98.1Very high75 Ų7545.5 Ų45.549%0.48722%0.218SC..THydrogen-bonded Turntrans-84.37.9171.533.7-36.6000114.2Q61 R62 K68Q61-P66 WeakPolarHBondContact O-CD 3.28Å; R62-P66 VanDerWaalsContact C-CG 3.48Å; R62-P66 VanDerWaalsContact O-CG 3.25Å; R62-P66 WeakPolarHBondContact O-CG 3.41Å; P66-K68 VanDerWaalsContact C-N 3.3Å; P66-K68 HydrophobicContact CG-CB 4.38Å; P66-K68 PolarHBondContact O-N 3.07Å
67Y98.3Very high97.9Very high46 Ų4646.6 Ų46.618%0.1822%0.219CC..THydrogen-bonded Turntrans52.244.2-179.3-77.4-106.2000113.6F63 E64 R65 P268 G269 W271 N293 I296 I338F63-Y67 PolarHBondContact O-N 3.19Å; E64-Y67 WeakPolarHBondContact O-CD2 3.17Å; E64-Y67 PolarHBondContact O-N 3.3Å; R65-Y67 VanDerWaalsContact C-N 3.28Å; Y67-P268 VanDerWaalsContact C-CG 3.49Å; Y67-P268 HydrophobicContact CD1-CB 3.72Å; Y67-P268 HydrophobicContact CG-CB 4.19Å; Y67-P268 WeakPolarHBondContact O-CG 3.29Å; Y67-G269 VanDerWaalsContact CD1-O 3.28Å; Y67-G269 WeakPolarHBondContact CD1-O 3.24Å; Y67-G269 WeakPolarHBondContact CE1-O 3.41Å; Y67-W271 PolarHBondContact O-NE1 3.19Å; Y67-N293 WeakPolarHBondContact OH-CA 3.44Å; Y67-N293 WeakPolarHBondContact OH-CB 3.1Å; Y67-I296 WeakPolarHBondContact OH-CD1 3.15Å; Y67-I338 HydrophobicContact CD1-CD1 4.32Å; Y67-I338 HydrophobicContact CE1-CD1 3.89Å
68K98.6Very high97.9Very high91 Ų9147.1 Ų47.140%0.39623%0.228SC..  trans-102.5120.5-178.2-179.1179.9173.1-1740111.2E47 F63 P66E47-K68 WeakPolarHBondContact OE2-CE 3.43Å; E47-K68 IonicContact OE2-NZ 2.75Å; E47-K68 PolarHBondContact OE2-NZ 3.3Å; F63-K68 HydrophobicContact CD1-CB 4.47Å; F63-K68 HydrophobicContact CD1-CD 4.18Å; F63-K68 HydrophobicContact CD1-CG 4.33Å; F63-K68 HydrophobicContact CE1-CD 4.36Å; F63-K68 PolarHBondContact O-N 2.86Å; P66-K68 VanDerWaalsContact C-N 3.3Å; P66-K68 HydrophobicContact CG-CB 4.38Å; P66-K68 PolarHBondContact O-N 3.07Å
69P98.8Very high97.9Very high4 Ų443.5 Ų43.53%0.02621%0.211CC..  trans-61.1144.9172-21.533000112.1L208 L255 P268 W271P69-L208 HydrophobicContact CB-CD2 4.36Å; P69-L208 HydrophobicContact CG-CD2 4.39Å; P69-L255 HydrophobicContact CB-CD1 4.33Å; P69-L255 HydrophobicContact CG-CD1 3.95Å; P69-P268 HydrophobicContact CG-CG 4.06Å; P69-W271 VanDerWaalsContact CD-CZ2 3.49Å; P69-W271 HydrophobicContact CG-CD2 3.66Å; P69-W271 HydrophobicContact CG-CE3 3.95Å; P69-W271 HydrophobicContact CG-CG 4.15Å; P69-W271 HydrophobicContact CG-CH2 4.17Å; P69-W271 HydrophobicContact CG-CZ2 3.89Å; P69-W271 HydrophobicContact CG-CZ3 4.2Å
70V98.9Very high97.9Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-151.3150179.468.80000110.4E47 V49 F59 F63 L72 F266E47-V70 HydrophobicContact CB-CG2 4.34Å; E47-V70 HydrophobicContact CG-CG2 4.48Å; E47-V70 VanDerWaalsContact O-CG2 3.26Å; E47-V70 WeakPolarHBondContact O-CG2 3.19Å; V49-V70 HydrophobicContact CB-CG2 4.44Å; V49-V70 HydrophobicContact CG2-CG2 3.71Å; F59-V70 HydrophobicContact CE2-CG1 4.05Å; F63-V70 HydrophobicContact CB-CG1 4.02Å; F63-V70 HydrophobicContact CD1-CB 3.59Å; F63-V70 HydrophobicContact CD1-CG1 3.87Å; F63-V70 HydrophobicContact CD1-CG2 3.89Å; F63-V70 HydrophobicContact CD2-CG1 4.08Å; F63-V70 HydrophobicContact CE1-CB 3.85Å; F63-V70 HydrophobicContact CE1-CG1 4.41Å; F63-V70 HydrophobicContact CE1-CG2 3.6Å; F63-V70 HydrophobicContact CE2-CG2 4.26Å; F63-V70 HydrophobicContact CG-CB 3.98Å; F63-V70 HydrophobicContact CG-CG1 3.69Å; F63-V70 HydrophobicContact CG-CG2 4.34Å; F63-V70 HydrophobicContact CZ-CB 4.44Å; F63-V70 HydrophobicContact CZ-CG2 3.82Å; V70-L72 HydrophobicContact CG1-CD2 3.83Å; V70-L72 HydrophobicContact CG1-CG 4.26Å; V70-L72 HydrophobicContact CG2-CD2 4.45Å; V70-F266 HydrophobicContact CG1-CB 3.98Å; V70-F266 HydrophobicContact CG1-CD1 4.13Å; V70-F266 PolarHBondContact O-N 3.47Å
71V98.9Very high97.9Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-98.6118.5170.9-178.40000109.1V46 E47 R48 V49 L73 I257 E263 V265V46-V71 HydrophobicContact CG1-CG2 4.03Å; E47-V71 PolarHBondContact O-N 3.44Å; R48-V71 WeakPolarHBondContact CA-O 3.43Å; R48-V71 HydrophobicContact CG-CB 3.65Å; R48-V71 HydrophobicContact CG-CG1 3.85Å; R48-V71 HydrophobicContact CG-CG2 4.4Å; V49-V71 PolarHBondContact N-O 2.83Å; V71-L73 HydrophobicContact CG1-CD2 4.35Å; V71-I257 HydrophobicContact CG2-CD1 4.11Å; V71-I257 HydrophobicContact CG2-CG2 3.67Å; V71-E263 HydrophobicContact CG1-CB 3.85Å; V71-E263 HydrophobicContact CG1-CG 4.18Å; V71-V265 HydrophobicContact CG2-CG2 4.35Å
72L98.8Very high97.8Very high0 Ų044.6 Ų44.60%022%0.215CC..EExtended strand (participates in β ladder)trans-94.2119.1179.2-59.5-177.8000110.4T51 L54 F59 V70 Y155 F156 T264T51-L72 HydrophobicContact CG2-CB 3.81Å; T51-L72 HydrophobicContact CG2-CD1 4.38Å; T51-L72 HydrophobicContact CG2-CD2 4.07Å; T51-L72 HydrophobicContact CG2-CG 4.31Å; L54-L72 HydrophobicContact CD2-CD2 4.01Å; F59-L72 HydrophobicContact CD2-CD1 4.42Å; F59-L72 HydrophobicContact CD2-CD2 4.28Å; F59-L72 HydrophobicContact CE2-CD1 4.14Å; F59-L72 HydrophobicContact CE2-CD2 4.38Å; V70-L72 HydrophobicContact CG1-CD2 3.83Å; V70-L72 HydrophobicContact CG1-CG 4.26Å; V70-L72 HydrophobicContact CG2-CD2 4.45Å; L72-Y155 HydrophobicContact CD1-CD2 3.83Å; L72-Y155 HydrophobicContact CD1-CE2 4.15Å; L72-F156 HydrophobicContact CD1-CE2 4.19Å; L72-F156 HydrophobicContact CD1-CZ 3.75Å; L72-T264 WeakPolarHBondContact CB-O 3.48Å; L72-T264 PolarHBondContact N-O 3.2Å; L72-T264 PolarHBondContact O-N 3.12Å
73L98.7Very high97.8Very high50 Ų5045.8 Ų45.826%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-86.8157.7174.6-51-178.6000110.3R48 V49 T51 V71 C75 E263R48-L73 HydrophobicContact CB-CD1 4.28Å; R48-L73 HydrophobicContact CB-CG 4.41Å; R48-L73 HydrophobicContact CG-CD2 4.25Å; V49-L73 PolarHBondContact O-N 2.84Å; T51-L73 WeakPolarHBondContact CB-O 3.48Å; T51-L73 WeakPolarHBondContact CG2-O 3.48Å; T51-L73 PolarHBondContact N-O 3.06Å; T51-L73 PolarHBondContact OG1-O 2.8Å; V71-L73 HydrophobicContact CG1-CD2 4.35Å; L73-C75 PolarHBondContact O-N 2.78Å; L73-E263 HydrophobicContact CD2-CG 3.89Å; L73-E263 WeakPolarHBondContact CD2-OE1 3.35Å
74N97.6Very high97.8Very high62 Ų6248.4 Ų48.433%0.33224%0.236SC..SBendtrans63.60.7172.8-53.7-22.6000116.2D50 L52 Q76 D77D50-N74 PolarHBondContact OD1-ND2 3.36Å; L52-N74 HydrophobicContact CD1-CB 4.45Å; L52-N74 HydrophobicContact CG-CB 4.16Å; N74-Q76 PolarHBondContact O-N 3.22Å; N74-D77 WeakPolarHBondContact CA-OD2 3.44Å; N74-D77 VanDerWaalsContact CB-OD2 3.27Å; N74-D77 WeakPolarHBondContact CB-OD2 3.36Å; N74-D77 PolarHBondContact O-N 2.71Å
75C94.4Very high97.8Very high12 Ų1248 Ų488%0.08124%0.235CC..THydrogen-bonded Turntrans-53.9-24.2175-103.80000114.8T51 L73 W79 P153 T264T51-C75 PolarHBondContact OG1-N 3.5Å; L73-C75 PolarHBondContact O-N 2.78Å; C75-W79 PolarHBondContact O-NE1 2.84Å; C75-P153 HydrophobicContact CB-CG 4.48Å; C75-T264 WeakPolarHBondContact CB-OG1 3.5Å
76Q97.1Very high97.8Very high3 Ų343.7 Ų43.71%0.01422%0.223CC..THydrogen-bonded Turntrans-109.72.8-169.1-54.1-175.73400113.5N74 T78 W79 R82 A198 L199 G262 E263 T264N74-Q76 PolarHBondContact O-N 3.22Å; Q76-T78 VanDerWaalsContact C-N 3.31Å; Q76-T78 PolarHBondContact O-N 3.44Å; Q76-T78 VanDerWaalsContact O-N 3.15Å; Q76-W79 HydrophobicContact CB-CD2 3.89Å; Q76-W79 HydrophobicContact CB-CE3 4.05Å; Q76-W79 HydrophobicContact CB-CG 4.14Å; Q76-W79 HydrophobicContact CG-CD2 4.1Å; Q76-W79 HydrophobicContact CG-CE3 3.95Å; Q76-W79 HydrophobicContact CG-CH2 4.13Å; Q76-W79 HydrophobicContact CG-CZ2 4.23Å; Q76-W79 HydrophobicContact CG-CZ3 3.97Å; Q76-W79 WeakPolarHBondContact O-CB 3.36Å; Q76-W79 PolarHBondContact O-N 2.88Å; Q76-R82 WeakPolarHBondContact O-CD 3.47Å; Q76-A198 HydrophobicContact CG-CB 4.38Å; Q76-L199 PolarHBondContact NE2-O 3.43Å; Q76-L199 PolarHBondContact OE1-O 2.97Å; Q76-G262 PolarHBondContact NE2-O 2.84Å; Q76-E263 PolarHBondContact NE2-O 2.77Å; Q76-E263 VanDerWaalsContact NE2-O 3.15Å; Q76-T264 PolarHBondContact NE2-OG1 3.26Å
77D93.3Very high97.8Very high65 Ų6542.2 Ų42.235%0.34821%0.21SC..THydrogen-bonded Turntrans-59.7-38.5-162.2-93.8-50.2000114.5N74 W79 R82N74-D77 WeakPolarHBondContact CA-OD2 3.44Å; N74-D77 VanDerWaalsContact CB-OD2 3.27Å; N74-D77 WeakPolarHBondContact CB-OD2 3.36Å; N74-D77 PolarHBondContact O-N 2.71Å; D77-W79 VanDerWaalsContact C-N 3.29Å; D77-W79 PolarHBondContact O-N 3.07Å; D77-R82 VanDerWaalsContact CA-NH1 3.33Å; D77-R82 PolarHBondContact O-NH1 3.38Å; D77-R82 IonicContact OD1-CZ 2.6Å; D77-R82 IonicContact OD1-NH1 3.32Å; D77-R82 PolarHBondContact OD1-NH1 2.79Å; D77-R82 IonicContact OD1-NH2 3.15Å; D77-R82 PolarHBondContact OD1-NH2 2.98Å
78T96.1Very high97.7Very high99 Ų9945.5 Ų45.561%0.60723%0.227SC*.THydrogen-bonded Turntrans-80.4-2.6178.460.70000114.3Q76 P80 Q151Q76-T78 VanDerWaalsContact C-N 3.31Å; Q76-T78 PolarHBondContact O-N 3.44Å; Q76-T78 VanDerWaalsContact O-N 3.15Å; T78-P80 VanDerWaalsContact O-CD 3.28Å; T78-P80 WeakPolarHBondContact O-CD 3.11Å; T78-Q151 PolarHBondContact OG1-NE2 3.13Å
79W98.4Very high97.7Very high6 Ų645.6 Ų45.62%0.02323%0.225CC..  trans-77121.1-170.1-69.118.4000112C75 Q76 D77 A81 R82 Y150 Q151 P153 W196 A198 V200 I284C75-W79 PolarHBondContact O-NE1 2.84Å; Q76-W79 HydrophobicContact CB-CD2 3.89Å; Q76-W79 HydrophobicContact CB-CE3 4.05Å; Q76-W79 HydrophobicContact CB-CG 4.14Å; Q76-W79 HydrophobicContact CG-CD2 4.1Å; Q76-W79 HydrophobicContact CG-CE3 3.95Å; Q76-W79 HydrophobicContact CG-CH2 4.13Å; Q76-W79 HydrophobicContact CG-CZ2 4.23Å; Q76-W79 HydrophobicContact CG-CZ3 3.97Å; Q76-W79 WeakPolarHBondContact O-CB 3.36Å; Q76-W79 PolarHBondContact O-N 2.88Å; D77-W79 VanDerWaalsContact C-N 3.29Å; D77-W79 PolarHBondContact O-N 3.07Å; W79-A81 HydrophobicContact CB-CB 4.3Å; W79-A81 HydrophobicContact CE3-CB 4.35Å; W79-A81 PolarHBondContact O-N 2.85Å; W79-R82 WeakPolarHBondContact O-CG 3.43Å; W79-R82 PolarHBondContact O-N 3.06Å; W79-R82 VanDerWaalsContact O-N 3.15Å; W79-Y150 HydrophobicContact CH2-CD2 4.26Å; W79-Y150 HydrophobicContact CZ2-CD2 4.37Å; W79-Y150 HydrophobicContact CZ3-CG 4.48Å; W79-Q151 WeakPolarHBondContact CZ2-O 3.42Å; W79-Q151 PolarHBondContact NE1-O 3.18Å; W79-P153 HydrophobicContact CZ2-CG 4.46Å; W79-W196 HydrophobicContact CH2-CH2 4.44Å; W79-W196 HydrophobicContact CH2-CZ3 4.02Å; W79-A198 HydrophobicContact CH2-CB 3.39Å; W79-A198 HydrophobicContact CZ2-CB 4.45Å; W79-A198 HydrophobicContact CZ3-CB 3.7Å; W79-V200 HydrophobicContact CE3-CG2 4.3Å; W79-V200 HydrophobicContact CZ3-CG2 4.23Å; W79-I284 HydrophobicContact CH2-CG2 3.68Å; W79-I284 HydrophobicContact CZ3-CG2 3.52Å
80P98.6Very high97.7Very high54 Ų5445.5 Ų45.535%0.35122%0.224SC..THydrogen-bonded Turntrans-61.1-17172.6-24.135.2000113.9T78 R82 E83 K84 D149T78-P80 VanDerWaalsContact O-CD 3.28Å; T78-P80 WeakPolarHBondContact O-CD 3.11Å; P80-R82 PolarHBondContact O-N 3.42Å; P80-E83 PolarHBondContact O-N 2.88Å; P80-K84 HydrophobicContact CB-CD 3.64Å; P80-K84 HydrophobicContact CB-CG 4.33Å; P80-K84 VanDerWaalsContact CB-NZ 3.28Å; P80-K84 WeakPolarHBondContact O-CB 3.16Å; P80-K84 WeakPolarHBondContact O-CG 3.33Å; P80-K84 PolarHBondContact O-N 3.15Å; P80-D149 VanDerWaalsContact CD-O 3.31Å; P80-D149 WeakPolarHBondContact CD-O 3.49Å
81A98.6Very high97.7Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-52.9-37.5172.500000112.8W79 E83 K84 W85 D149 V200W79-A81 HydrophobicContact CB-CB 4.3Å; W79-A81 HydrophobicContact CE3-CB 4.35Å; W79-A81 PolarHBondContact O-N 2.85Å; A81-E83 PolarHBondContact O-N 3.35Å; A81-E83 VanDerWaalsContact O-N 3.14Å; A81-K84 PolarHBondContact O-N 2.8Å; A81-K84 VanDerWaalsContact O-N 3.15Å; A81-W85 HydrophobicContact CB-CD2 3.55Å; A81-W85 HydrophobicContact CB-CE3 3.82Å; A81-W85 HydrophobicContact CB-CG 3.88Å; A81-W85 HydrophobicContact CB-CH2 4.4Å; A81-W85 HydrophobicContact CB-CZ2 4.17Å; A81-W85 HydrophobicContact CB-CZ3 4.24Å; A81-W85 WeakPolarHBondContact O-CB 3.17Å; A81-W85 PolarHBondContact O-N 3.19Å; A81-D149 HydrophobicContact CB-CB 4.3Å; A81-D149 WeakPolarHBondContact CB-O 3.47Å; A81-D149 PolarHBondContact N-O 3.4Å; A81-V200 HydrophobicContact CB-CG1 3.95Å; A81-V200 HydrophobicContact CB-CG2 4.26Å
82R97.8Very high97.6Very high118 Ų11855.1 Ų55.145%0.44526%0.262SS..Hα-helixtrans-49-44.6-179.9-64.8175.383.2170.419.6112Q76 D77 W79 P80 Q201Q76-R82 WeakPolarHBondContact O-CD 3.47Å; D77-R82 VanDerWaalsContact CA-NH1 3.33Å; D77-R82 PolarHBondContact O-NH1 3.38Å; D77-R82 IonicContact OD1-CZ 2.6Å; D77-R82 IonicContact OD1-NH1 3.32Å; D77-R82 PolarHBondContact OD1-NH1 2.79Å; D77-R82 IonicContact OD1-NH2 3.15Å; D77-R82 PolarHBondContact OD1-NH2 2.98Å; W79-R82 WeakPolarHBondContact O-CG 3.43Å; W79-R82 PolarHBondContact O-N 3.06Å; W79-R82 VanDerWaalsContact O-N 3.15Å; P80-R82 PolarHBondContact O-N 3.42Å; R82-Q201 PolarHBondContact O-NE2 3.35Å
83E97.9Very high97.6Very high133 Ų13359.3 Ų59.362%0.62128%0.28SS*.Hα-helixtrans-92.5-36.3174.5-49.7178.8-176.700114.1P80 A81 R89P80-E83 PolarHBondContact O-N 2.88Å; A81-E83 PolarHBondContact O-N 3.35Å; A81-E83 VanDerWaalsContact O-N 3.14Å; E83-R89 WeakPolarHBondContact O-CD 3.31Å; E83-R89 PolarHBondContact O-NH1 2.83Å; E83-R89 IonicContact OE2-NH1 3.41Å; E83-R89 PolarHBondContact OE2-NH1 3.35Å
84K98.6Very high97.6Very high55 Ų5557 Ų5724%0.23927%0.268CS..Hα-helixtrans-79-28.4-167.7-72.1175.6-177.7168.60112.6P80 A81 T86 R89 E148 D149P80-K84 HydrophobicContact CB-CD 3.64Å; P80-K84 HydrophobicContact CB-CG 4.33Å; P80-K84 VanDerWaalsContact CB-NZ 3.28Å; P80-K84 WeakPolarHBondContact O-CB 3.16Å; P80-K84 WeakPolarHBondContact O-CG 3.33Å; P80-K84 PolarHBondContact O-N 3.15Å; A81-K84 PolarHBondContact O-N 2.8Å; A81-K84 VanDerWaalsContact O-N 3.15Å; K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.18Å; K84-R89 VanDerWaalsContact O-CB 3.25Å; K84-R89 WeakPolarHBondContact O-CB 3.19Å; K84-E148 PolarHBondContact NZ-O 3.11Å; K84-D149 HydrophobicContact CD-CB 4.22Å; K84-D149 WeakPolarHBondContact CD-OD1 3.39Å; K84-D149 WeakPolarHBondContact CE-OD1 3.32Å; K84-D149 IonicContact NZ-OD1 2.76Å; K84-D149 PolarHBondContact NZ-OD1 2.9Å
85W98.6Very high97.7Very high0 Ų060.4 Ų60.40%028%0.276CS..  trans-94.557.4-174.5-66.76.2000111A81 L90 L146 D149 Y150 F175 V200 Q201 I282 I284A81-W85 HydrophobicContact CB-CD2 3.55Å; A81-W85 HydrophobicContact CB-CE3 3.82Å; A81-W85 HydrophobicContact CB-CG 3.88Å; A81-W85 HydrophobicContact CB-CH2 4.4Å; A81-W85 HydrophobicContact CB-CZ2 4.17Å; A81-W85 HydrophobicContact CB-CZ3 4.24Å; A81-W85 WeakPolarHBondContact O-CB 3.17Å; A81-W85 PolarHBondContact O-N 3.19Å; W85-L90 HydrophobicContact CB-CD1 4.4Å; W85-L90 HydrophobicContact CG-CD2 4.5Å; W85-L146 HydrophobicContact CZ2-CB 4.28Å; W85-L146 HydrophobicContact CZ2-CD2 3.99Å; W85-D149 HydrophobicContact CZ2-CB 3.94Å; W85-D149 VanDerWaalsContact NE1-CB 3.26Å; W85-D149 PolarHBondContact NE1-OD2 2.74Å; W85-Y150 AromaticContact CH2-CD1 3.84Å; W85-Y150 HydrophobicContact CH2-CD1 3.84Å; W85-Y150 HydrophobicContact CH2-CE1 4.48Å; W85-Y150 HydrophobicContact CH2-CG 4.49Å; W85-Y150 AromaticContact CZ2-CD1 3.99Å; W85-Y150 HydrophobicContact CZ2-CD1 3.99Å; W85-F175 HydrophobicContact CD2-CE2 4.16Å; W85-F175 HydrophobicContact CE3-CE2 4.03Å; W85-F175 HydrophobicContact CH2-CD2 4.18Å; W85-F175 HydrophobicContact CH2-CE2 4.4Å; W85-F175 HydrophobicContact CZ2-CD2 4.45Å; W85-F175 HydrophobicContact CZ3-CD2 4.23Å; W85-F175 HydrophobicContact CZ3-CE2 4.16Å; W85-V200 HydrophobicContact CB-CG1 4.38Å; W85-V200 HydrophobicContact CE3-CB 4.18Å; W85-V200 HydrophobicContact CE3-CG1 4.35Å; W85-V200 HydrophobicContact CE3-CG2 3.77Å; W85-V200 HydrophobicContact CZ3-CG2 3.9Å; W85-Q201 WeakPolarHBondContact O-CG 3.5Å; W85-I282 HydrophobicContact CB-CG2 4.22Å; W85-I282 HydrophobicContact CD2-CG2 4.47Å; W85-I282 HydrophobicContact CE3-CG2 3.89Å; W85-I282 WeakPolarHBondContact O-CD1 3.3Å; W85-I284 HydrophobicContact CH2-CB 3.98Å; W85-I284 HydrophobicContact CH2-CG2 4.26Å; W85-I284 HydrophobicContact CZ3-CB 4.01Å; W85-I284 HydrophobicContact CZ3-CG2 4.22Å
86T98.3Very high97.9Very high45 Ų4563.5 Ų63.528%0.27629%0.292SS..SBendtrans-100154.9166.870.10000110.4K84 E88 R89 L90K84-T86 VanDerWaalsContact C-N 3.31Å; K84-T86 PolarHBondContact O-N 3.18Å; T86-E88 PolarHBondContact O-N 2.91Å; T86-R89 PolarHBondContact O-N 2.99Å; T86-R89 WeakPolarHBondContact OG1-CB 3.18Å; T86-R89 WeakPolarHBondContact OG1-CG 3.35Å; T86-R89 PolarHBondContact OG1-N 3.43Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 2.99Å
87M96.8Very high98Very high43 Ų4366 Ų6621%0.21230%0.304CS..Hα-helixtrans-46-49.5175.9-69.5-60.4-67.500112.3K91 V118 L121 M177 T280M87-K91 WeakPolarHBondContact O-CB 3.48Å; M87-K91 PolarHBondContact O-N 3.41Å; M87-V118 HydrophobicContact CE-CB 4.15Å; M87-V118 HydrophobicContact CE-CG1 3.55Å; M87-V118 HydrophobicContact CE-CG2 3.85Å; M87-L121 HydrophobicContact CE-CD1 4Å; M87-L121 HydrophobicContact CE-CD2 3.74Å; M87-L121 HydrophobicContact CE-CG 4.31Å; M87-L121 HydrophobicContact SD-CD1 4.35Å; M87-M177 HydrophobicContact CE-CE 3.98Å; M87-M177 HydrophobicContact SD-CE 3.29Å; M87-M177 WeakPolarHBondContact SD-CE 3.06Å; M87-T280 HydrophobicContact CE-CG2 4.44Å; M87-T280 HydrophobicContact CG-CG2 4.09Å; M87-T280 HydrophobicContact SD-CG2 3.57Å; M87-T280 VanDerWaalsContact SD-CG2 3.57Å
88E97.4Very high98.2Very high116 Ų11668.7 Ų68.754%0.54231%0.312SS..Hα-helixtrans-64.9-50.7179.7-170.6-141.1117.600112.7T86 L90 K91 R92T86-E88 PolarHBondContact O-N 2.91Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 3.5Å; E88-K91 PolarHBondContact O-N 3.14Å; E88-R92 WeakPolarHBondContact O-CB 3.3Å; E88-R92 PolarHBondContact O-N 3.35Å; E88-R92 IonicContact OE1-CZ 3.73Å; E88-R92 IonicContact OE1-NH1 3.52Å; E88-R92 PolarHBondContact OE1-NH1 2.79Å; E88-R92 IonicContact OE1-NH2 3.37Å; E88-R92 PolarHBondContact OE1-NH2 2.91Å
89R98.5Very high98.3Very high93 Ų9364 Ų6435%0.35128%0.283SS..Hα-helixtrans-64.4-36.6-178.6-70.8179.194.6167.17.8111.3E83 K84 T86 R92 K93E83-R89 WeakPolarHBondContact O-CD 3.31Å; E83-R89 PolarHBondContact O-NH1 2.83Å; E83-R89 IonicContact OE2-NH1 3.41Å; E83-R89 PolarHBondContact OE2-NH1 3.35Å; K84-R89 VanDerWaalsContact O-CB 3.25Å; K84-R89 WeakPolarHBondContact O-CB 3.19Å; T86-R89 PolarHBondContact O-N 2.99Å; T86-R89 WeakPolarHBondContact OG1-CB 3.18Å; T86-R89 WeakPolarHBondContact OG1-CG 3.35Å; T86-R89 PolarHBondContact OG1-N 3.43Å; R89-R92 PolarHBondContact O-N 2.86Å; R89-K93 WeakPolarHBondContact O-CB 3.34Å; R89-K93 PolarHBondContact O-N 2.85Å
90L98.6Very high98.4Very high1 Ų163.8 Ų63.81%0.00528%0.283CS..Hα-helixtrans-71.4-44.9174.7-64.8176.3000112.3W85 T86 E88 R92 Y94 L146 F175 M177 I282W85-L90 HydrophobicContact CB-CD1 4.4Å; W85-L90 HydrophobicContact CG-CD2 4.5Å; T86-L90 WeakPolarHBondContact O-CB 3.36Å; T86-L90 WeakPolarHBondContact O-CG 3.35Å; T86-L90 PolarHBondContact O-N 2.99Å; E88-L90 VanDerWaalsContact C-N 3.32Å; E88-L90 PolarHBondContact O-N 3.5Å; L90-R92 PolarHBondContact O-N 3.31Å; L90-Y94 HydrophobicContact CD2-CD2 3.68Å; L90-Y94 HydrophobicContact CD2-CE2 3.66Å; L90-Y94 PolarHBondContact O-N 3.15Å; L90-L146 HydrophobicContact CD2-CD2 4.42Å; L90-F175 HydrophobicContact CD1-CZ 4.08Å; L90-M177 HydrophobicContact CD1-CE 4.3Å; L90-M177 HydrophobicContact CD1-SD 4.22Å; L90-I282 HydrophobicContact CD1-CD1 3.83Å; L90-I282 HydrophobicContact CD1-CG2 4.44Å
91K98.1Very high98.3Very high51 Ų5161.3 Ų61.322%0.22227%0.267CS..Hα-helixtrans-58.7-27.4174-165.6-175.5-1541680112.1M87 E88 R95 V118 E122M87-K91 WeakPolarHBondContact O-CB 3.48Å; M87-K91 PolarHBondContact O-N 3.41Å; E88-K91 PolarHBondContact O-N 3.14Å; K91-R95 WeakPolarHBondContact O-CA 3.31Å; K91-R95 WeakPolarHBondContact O-CB 3.2Å; K91-R95 WeakPolarHBondContact O-CG 3.42Å; K91-V118 HydrophobicContact CB-CG1 4.39Å; K91-V118 HydrophobicContact CB-CG2 4.33Å; K91-V118 HydrophobicContact CD-CB 4.28Å; K91-V118 HydrophobicContact CD-CG1 3.59Å; K91-V118 VanDerWaalsContact CE-CG1 3.42Å; K91-V118 HydrophobicContact CG-CB 4.21Å; K91-V118 HydrophobicContact CG-CG1 4.04Å; K91-V118 HydrophobicContact CG-CG2 4.47Å; K91-E122 IonicContact NZ-OE1 2.8Å; K91-E122 PolarHBondContact NZ-OE1 3.04Å; K91-E122 IonicContact NZ-OE2 2.75Å; K91-E122 PolarHBondContact NZ-OE2 2.68Å
92R98.4Very high98.1Very high151 Ų15161.8 Ų61.857%0.5727%0.272SS*.Hα-helixtrans-82.6-67.2169.9179.1162.457.8-104.51.2112.9E88 R89 L90 Y94 R95E88-R92 WeakPolarHBondContact O-CB 3.3Å; E88-R92 PolarHBondContact O-N 3.35Å; E88-R92 IonicContact OE1-CZ 3.73Å; E88-R92 IonicContact OE1-NH1 3.52Å; E88-R92 PolarHBondContact OE1-NH1 2.79Å; E88-R92 IonicContact OE1-NH2 3.37Å; E88-R92 PolarHBondContact OE1-NH2 2.91Å; R89-R92 PolarHBondContact O-N 2.86Å; L90-R92 PolarHBondContact O-N 3.31Å; R92-Y94 VanDerWaalsContact C-N 3.3Å; R92-Y94 PolarHBondContact O-N 3.07Å; R92-R95 WeakPolarHBondContact O-CB 3.18Å; R92-R95 PolarHBondContact O-N 3.04Å
93K98.5Very high97.8Very high88 Ų8858 Ų5838%0.38326%0.259SS..Hα-helixtrans-54.9-40.7-173.8-173178174.7-162.50112.2R89 K145 D149R89-K93 WeakPolarHBondContact O-CB 3.34Å; R89-K93 PolarHBondContact O-N 2.85Å; K93-K145 PolarHBondContact NZ-O 2.88Å; K93-K145 VanDerWaalsContact NZ-O 3.07Å; K93-D149 IonicContact NZ-OD1 2.72Å; K93-D149 PolarHBondContact NZ-OD1 2.83Å; K93-D149 IonicContact NZ-OD2 2.95Å; K93-D149 PolarHBondContact NZ-OD2 3.06Å
94Y98.7Very high97.4Very high3 Ų354 Ų541%0.01224%0.242CC..THydrogen-bonded Turntrans-112.611.6-174.7-57.6-76.1000114.6L90 R92 N96 Q97 F99 M114 K142 K145 L146L90-Y94 HydrophobicContact CD2-CD2 3.68Å; L90-Y94 HydrophobicContact CD2-CE2 3.66Å; L90-Y94 PolarHBondContact O-N 3.15Å; R92-Y94 VanDerWaalsContact C-N 3.3Å; R92-Y94 PolarHBondContact O-N 3.07Å; Y94-N96 PolarHBondContact O-N 3.32Å; Y94-Q97 HydrophobicContact CD1-CG 4.2Å; Y94-Q97 PolarHBondContact O-N 3.37Å; Y94-F99 HydrophobicContact CD1-CZ 4.34Å; Y94-F99 HydrophobicContact CG-CZ 4.27Å; Y94-M114 WeakPolarHBondContact O-CB 3.09Å; Y94-K142 WeakPolarHBondContact CE1-O 3.35Å; Y94-K145 VanDerWaalsContact OH-C 3.28Å; Y94-K145 PolarHBondContact OH-O 3.15Å; Y94-L146 HydrophobicContact CE1-CG 4.34Å; Y94-L146 HydrophobicContact CE2-CD2 3.63Å; Y94-L146 HydrophobicContact CE2-CG 4.21Å; Y94-L146 WeakPolarHBondContact OH-CD2 3.39Å; Y94-L146 WeakPolarHBondContact OH-CG 3.32Å; Y94-L146 PolarHBondContact OH-N 2.81Å
95R98.6Very high96.8Very high133 Ų13357.8 Ų57.850%0.50227%0.265SS..THydrogen-bonded Turntrans-31.5-45.4-173.4-168.8169.1177.577.1-7.8116.8K91 R92 K115K91-R95 WeakPolarHBondContact O-CA 3.31Å; K91-R95 WeakPolarHBondContact O-CB 3.2Å; K91-R95 WeakPolarHBondContact O-CG 3.42Å; R92-R95 WeakPolarHBondContact O-CB 3.18Å; R92-R95 PolarHBondContact O-N 3.04Å; R95-K115 HydrophobicContact CG-CB 4.07Å; R95-K115 HydrophobicContact CG-CD 3.95Å; R95-K115 WeakPolarHBondContact O-CB 3.36Å; R95-K115 WeakPolarHBondContact O-CD 3.49Å; R95-K115 VanDerWaalsContact O-CG 3.32Å; R95-K115 WeakPolarHBondContact O-CG 3.12Å; R95-K115 PolarHBondContact O-N 2.83Å
96N98.6Very high96.2Very high77 Ų7764.3 Ų64.341%0.41230%0.299SS..THydrogen-bonded Turntrans-110.51.9-176.1-81-56.9000115.2Y94 K113 K115Y94-N96 PolarHBondContact O-N 3.32Å; N96-K113 WeakPolarHBondContact O-CE 3.41Å; N96-K113 PolarHBondContact OD1-NZ 3.49Å; N96-K115 PolarHBondContact OD1-NZ 3.47Å; N96-K115 VanDerWaalsContact OD1-NZ 3.09Å
97Q98.8Very high95.6Very high55 Ų5564.5 Ų64.526%0.25731%0.31SS..  trans-74.9146.3172-56.5-48.2-50.600110.5Y94 F99 K113 M114 K142 R143Y94-Q97 HydrophobicContact CD1-CG 4.2Å; Y94-Q97 PolarHBondContact O-N 3.37Å; Q97-F99 HydrophobicContact CB-CE2 3.97Å; Q97-K113 CarbonylContact O-C 3.52Å; Q97-K113 VanDerWaalsContact O-CA 3.24Å; Q97-K113 WeakPolarHBondContact O-CA 3.13Å; Q97-M114 PolarHBondContact O-N 3.44Å; Q97-K142 HydrophobicContact CG-CB 4.33Å; Q97-R143 HydrophobicContact CB-CG 4.05Å; Q97-R143 HydrophobicContact CG-CG 4.17Å
98K98.6Very high95.3Very high121 Ų12170.1 Ų70.153%0.52633%0.33SS..EExtended strand (participates in β ladder)trans-89.8148.9172.3-72.2-173.1172-166.10110.7K111 M112 K113 R143K98-K111 HydrophobicContact CB-CB 3.94Å; K98-K111 HydrophobicContact CD-CB 4.12Å; K98-M112 CarbonylContact C-O 3.13Å; K98-M112 VanDerWaalsContact CA-O 3.24Å; K98-M112 WeakPolarHBondContact CA-O 3.35Å; K98-K113 HydrophobicContact CG-CG 4.02Å; K98-R143 VanDerWaalsContact O-CD 3.29Å; K98-R143 WeakPolarHBondContact O-CD 3.37Å; K98-R143 PolarHBondContact O-NH1 3.5Å
99F98.8Very high95.3Very high1 Ų167 Ų670%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-135.5144.1171.3-69.1-98.6000109.7Y94 Q97 K111 M112 M114 I132 D134 R143 L146 F175Y94-F99 HydrophobicContact CD1-CZ 4.34Å; Y94-F99 HydrophobicContact CG-CZ 4.27Å; Q97-F99 HydrophobicContact CB-CE2 3.97Å; F99-K111 CarbonylContact O-C 3.59Å; F99-K111 WeakPolarHBondContact O-CA 3.3Å; F99-K111 WeakPolarHBondContact O-CB 3.41Å; F99-M112 PolarHBondContact N-O 3.18Å; F99-M112 PolarHBondContact O-N 3.37Å; F99-M112 VanDerWaalsContact O-N 3.12Å; F99-M114 HydrophobicContact CD2-CB 4.31Å; F99-M114 HydrophobicContact CD2-CE 3.9Å; F99-M114 HydrophobicContact CE2-CB 4.19Å; F99-M114 HydrophobicContact CE2-CE 3.72Å; F99-M114 HydrophobicContact CG-CE 4.47Å; F99-M114 HydrophobicContact CZ-CE 4.13Å; F99-I132 HydrophobicContact CB-CD1 3.81Å; F99-I132 HydrophobicContact CB-CG1 4.11Å; F99-I132 HydrophobicContact CB-CG2 4.15Å; F99-I132 HydrophobicContact CG-CD1 4.34Å; F99-D134 WeakPolarHBondContact CA-OD2 3.34Å; F99-D134 HydrophobicContact CB-CB 4.28Å; F99-D134 HydrophobicContact CD1-CB 3.97Å; F99-R143 HydrophobicContact CE1-CG 4.47Å; F99-R143 HydrophobicContact CZ-CG 4.15Å; F99-L146 HydrophobicContact CE1-CD1 3.99Å; F99-L146 HydrophobicContact CZ-CD1 4.38Å; F99-F175 HydrophobicContact CD1-CD1 4.2Å; F99-F175 HydrophobicContact CE1-CD1 4.14Å
100K98.7Very high95.2Very high2 Ų263.2 Ų63.21%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-58.8130172.9-177.4-177.8-176.5-164.30109.1E103 V110 I132 F133 D134 D345 S347K100-E103 WeakPolarHBondContact CE-OE1 3.16Å; K100-E103 WeakPolarHBondContact CE-OE2 3.39Å; K100-E103 IonicContact NZ-OE1 3.53Å; K100-E103 PolarHBondContact NZ-OE1 2.71Å; K100-E103 IonicContact NZ-OE2 3.61Å; K100-E103 PolarHBondContact NZ-OE2 3.38Å; K100-V110 WeakPolarHBondContact CA-O 3.48Å; K100-I132 WeakPolarHBondContact O-CA 3.14Å; K100-F133 WeakPolarHBondContact CD-O 2.96Å; K100-F133 PolarHBondContact O-N 3.27Å; K100-F133 VanDerWaalsContact O-N 3.09Å; K100-D134 HydrophobicContact CB-CB 4.07Å; K100-D134 PolarHBondContact N-OD2 3.43Å; K100-D345 IonicContact NZ-OD1 3.75Å; K100-D345 PolarHBondContact NZ-OD1 2.97Å; K100-S347 WeakPolarHBondContact CE-OG 3.06Å; K100-S347 PolarHBondContact NZ-OG 3.07Å
101C97.8Very high95.2Very high2 Ų266.2 Ų66.21%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-143.544.9177.862.80000111.2V110 Y117 Y131 I132C101-V110 PolarHBondContact N-O 2.99Å; C101-Y117 HydrophobicContact CB-CE2 4.39Å; C101-Y131 WeakPolarHBondContact CA-O 3.19Å; C101-I132 HydrophobicContact CB-CG1 4.14Å
102G94.1Very high95.2Very high10 Ų1064.2 Ų64.210%0.10331%0.313CS..EExtended strand (participates in β ladder)trans127.9177.2-171.600000113.1V110G102-V110 PolarHBondContact O-N 2.9Å
103E92.3Very high95.2Very high39 Ų3960.3 Ų60.318%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-137.9153.3177.7-90.6158.6162.700109.8A16 K100 Y108 S347A16-E103 WeakPolarHBondContact CA-O 3.21Å; K100-E103 WeakPolarHBondContact CE-OE1 3.16Å; K100-E103 WeakPolarHBondContact CE-OE2 3.39Å; K100-E103 IonicContact NZ-OE1 3.53Å; K100-E103 PolarHBondContact NZ-OE1 2.71Å; K100-E103 IonicContact NZ-OE2 3.61Å; K100-E103 PolarHBondContact NZ-OE2 3.38Å; E103-Y108 WeakPolarHBondContact CA-O 3.44Å; E103-S347 WeakPolarHBondContact OE2-CB 3.22Å; E103-S347 PolarHBondContact OE2-OG 3.22Å
104D89.2Confident95.3Very high49 Ų4956.1 Ų56.126%0.26228%0.282SS..  trans-97.3174.2174.861.335000112.7S15 D106 G107 Y108 V110S15-D104 VanDerWaalsContact O-CA 3.31Å; S15-D104 WeakPolarHBondContact O-CA 3.27Å; S15-D104 WeakPolarHBondContact O-CB 3.39Å; D104-D106 PolarHBondContact O-N 2.8Å; D104-D106 PolarHBondContact OD1-N 2.94Å; D104-G107 WeakPolarHBondContact O-CA 3.36Å; D104-G107 PolarHBondContact O-N 3.19Å; D104-G107 PolarHBondContact OD1-N 2.96Å; D104-Y108 PolarHBondContact N-O 3.27Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.35Å; D104-Y108 PolarHBondContact OD1-N 2.84Å; D104-V110 HydrophobicContact CB-CG2 4.26Å
105N85.9Confident95.2Very high134 Ų13457.7 Ų57.772%0.71729%0.289SS*.THydrogen-bonded Turntrans-55.5-24.7-176.5-70.9-23.7000114.6P18 G107P18-N105 WeakPolarHBondContact CG-OD1 3.27Å; N105-G107 VanDerWaalsContact C-N 3.34Å
106D85.1Confident95.2Very high136 Ų13652.4 Ų52.473%0.72727%0.269SS*.THydrogen-bonded Turntrans-93.13178.8-66.3-49.2000112.1D104 Y108D104-D106 PolarHBondContact O-N 2.8Å; D104-D106 PolarHBondContact OD1-N 2.94Å; D106-Y108 HydrophobicContact CB-CD2 3.63Å; D106-Y108 HydrophobicContact CB-CE2 3.58Å
107G85.4Confident95.2Very high49 Ų4948.8 Ų48.851%0.50525%0.25SC..SBendtrans80.714.5-17900000114.4D104 N105D104-G107 WeakPolarHBondContact O-CA 3.36Å; D104-G107 PolarHBondContact O-N 3.19Å; D104-G107 PolarHBondContact OD1-N 2.96Å; N105-G107 VanDerWaalsContact C-N 3.34Å
108Y92.1Very high95.2Very high161 Ų16146.1 Ų46.163%0.63124%0.237SC*.PPolyproline II helixtrans-83.5136175.9-59.6-70.7000111.1E103 D104 D106 V110E103-Y108 WeakPolarHBondContact CA-O 3.44Å; D104-Y108 PolarHBondContact N-O 3.27Å; D104-Y108 WeakPolarHBondContact OD1-CB 3.35Å; D104-Y108 PolarHBondContact OD1-N 2.84Å; D106-Y108 HydrophobicContact CB-CD2 3.63Å; D106-Y108 HydrophobicContact CB-CE2 3.58Å; Y108-V110 PolarHBondContact O-N 3.22Å
109S95.8Very high95.2Very high50 Ų5042 Ų4235%0.3522%0.22SC..EExtended strand (participates in β ladder)trans-64.9118.4179.8-500000112.3K111S109-K111 VanDerWaalsContact O-CG 3.32Å; S109-K111 WeakPolarHBondContact O-CG 3.2Å; S109-K111 PolarHBondContact O-N 3.39Å
110V97.9Very high95.2Very high14 Ų1442.3 Ų42.39%0.08522%0.221CC..EExtended strand (participates in β ladder)trans-73.1120.1170.1-178.90000108.3A12 A16 K100 C101 G102 D104 Y108A12-V110 HydrophobicContact CB-CG1 4.12Å; A16-V110 HydrophobicContact CB-CB 4.32Å; A16-V110 HydrophobicContact CB-CG1 4.28Å; A16-V110 HydrophobicContact CB-CG2 4.23Å; K100-V110 WeakPolarHBondContact CA-O 3.48Å; C101-V110 PolarHBondContact N-O 2.99Å; G102-V110 PolarHBondContact O-N 2.9Å; D104-V110 HydrophobicContact CB-CG2 4.26Å; Y108-V110 PolarHBondContact O-N 3.22Å
111K98.4Very high95.1Very high65 Ų6543 Ų4328%0.28323%0.225SC..EExtended strand (participates in β ladder)trans-127.3111.4-174-44.2-156.2-179-167.80114.7K98 F99 S109 D134 S136K98-K111 HydrophobicContact CB-CB 3.94Å; K98-K111 HydrophobicContact CD-CB 4.12Å; F99-K111 CarbonylContact O-C 3.59Å; F99-K111 WeakPolarHBondContact O-CA 3.3Å; F99-K111 WeakPolarHBondContact O-CB 3.41Å; S109-K111 VanDerWaalsContact O-CG 3.32Å; S109-K111 WeakPolarHBondContact O-CG 3.2Å; S109-K111 PolarHBondContact O-N 3.39Å; K111-D134 IonicContact NZ-OD2 2.66Å; K111-S136 PolarHBondContact NZ-OG 3.17Å
112M98.3Very high95Very high9 Ų948.1 Ų48.14%0.04425%0.249CC..EExtended strand (participates in β ladder)trans-90.5152.7175.7-175.1137.660.700112I9 A12 K98 F99 Y117 L130I9-M112 HydrophobicContact CG1-CE 4.18Å; I9-M112 HydrophobicContact CG1-SD 3.92Å; A12-M112 HydrophobicContact CB-CE 4.29Å; A12-M112 HydrophobicContact CB-SD 4.24Å; K98-M112 CarbonylContact C-O 3.13Å; K98-M112 VanDerWaalsContact CA-O 3.24Å; K98-M112 WeakPolarHBondContact CA-O 3.35Å; F99-M112 PolarHBondContact N-O 3.18Å; F99-M112 PolarHBondContact O-N 3.37Å; F99-M112 VanDerWaalsContact O-N 3.12Å; M112-Y117 HydrophobicContact CE-CD2 4.01Å; M112-L130 HydrophobicContact CE-CD1 4.22Å
113K98.8Very high95.1Very high68 Ų6850.6 Ų50.630%0.29626%0.264SS..EExtended strand (participates in β ladder)trans-76.3137.6173.2-77-173167.9-166.20110.8N96 Q97 K98 K115 Y116 Y117N96-K113 WeakPolarHBondContact O-CE 3.41Å; N96-K113 PolarHBondContact OD1-NZ 3.49Å; Q97-K113 CarbonylContact O-C 3.52Å; Q97-K113 VanDerWaalsContact O-CA 3.24Å; Q97-K113 WeakPolarHBondContact O-CA 3.13Å; K98-K113 HydrophobicContact CG-CG 4.02Å; K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 3.25Å; K113-K115 VanDerWaalsContact O-N 3.07Å; K113-Y116 HydrophobicContact CB-CD2 3.86Å; K113-Y116 HydrophobicContact CB-CE2 4.21Å; K113-Y116 HydrophobicContact CD-CE2 4.31Å; K113-Y116 PolarHBondContact O-N 3.35Å; K113-Y117 PolarHBondContact O-N 2.87Å
114M98.8Very high95.3Very high0 Ų049.7 Ų49.70%026%0.262CS..Hα-helixtrans-45.7-45.5-177.5179.855.47500113.4Y94 Q97 F99 Y116 Y117 V118 I132 F175 M177Y94-M114 WeakPolarHBondContact O-CB 3.09Å; Q97-M114 PolarHBondContact O-N 3.44Å; F99-M114 HydrophobicContact CD2-CB 4.31Å; F99-M114 HydrophobicContact CD2-CE 3.9Å; F99-M114 HydrophobicContact CE2-CB 4.19Å; F99-M114 HydrophobicContact CE2-CE 3.72Å; F99-M114 HydrophobicContact CG-CE 4.47Å; F99-M114 HydrophobicContact CZ-CE 4.13Å; M114-Y116 VanDerWaalsContact C-N 3.33Å; M114-Y116 PolarHBondContact O-N 2.85Å; M114-Y117 PolarHBondContact O-N 3.16Å; M114-V118 HydrophobicContact CG-CG2 4.42Å; M114-V118 WeakPolarHBondContact O-CG2 3.4Å; M114-V118 PolarHBondContact O-N 3.38Å; M114-V118 HydrophobicContact SD-CG2 3.77Å; M114-I132 HydrophobicContact CE-CD1 4.16Å; M114-F175 HydrophobicContact CE-CE1 4.34Å; M114-M177 HydrophobicContact CE-SD 3.82Å; M114-M177 HydrophobicContact SD-CE 4.28Å; M114-M177 HydrophobicContact SD-SD 3.99Å
115K98.4Very high95.8Very high37 Ų3752.9 Ų52.916%0.16128%0.275CS..Hα-helixtrans-60.4-36.7178.574.2-170.5-172.6-170.60114.6R95 N96 K113 E119R95-K115 HydrophobicContact CG-CB 4.07Å; R95-K115 HydrophobicContact CG-CD 3.95Å; R95-K115 WeakPolarHBondContact O-CB 3.36Å; R95-K115 WeakPolarHBondContact O-CD 3.49Å; R95-K115 VanDerWaalsContact O-CG 3.32Å; R95-K115 WeakPolarHBondContact O-CG 3.12Å; R95-K115 PolarHBondContact O-N 2.83Å; N96-K115 PolarHBondContact OD1-NZ 3.47Å; N96-K115 VanDerWaalsContact OD1-NZ 3.09Å; K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 3.25Å; K113-K115 VanDerWaalsContact O-N 3.07Å; K115-E119 WeakPolarHBondContact O-CB 3.3Å; K115-E119 WeakPolarHBondContact O-CG 3.27Å; K115-E119 PolarHBondContact O-N 3.48Å
116Y98.6Very high96.4Very high22 Ų2247 Ų479%0.08624%0.243CC..Hα-helixtrans-79.3-32.7178.4-55.9-40000111.2R8 K113 M114 E119 Y120R8-Y116 HydrophobicContact CB-CD2 3.85Å; R8-Y116 HydrophobicContact CB-CE2 4.08Å; R8-Y116 HydrophobicContact CB-CG 4.44Å; R8-Y116 HydrophobicContact CG-CD2 4.09Å; R8-Y116 HydrophobicContact CG-CE2 3.77Å; K113-Y116 HydrophobicContact CB-CD2 3.86Å; K113-Y116 HydrophobicContact CB-CE2 4.21Å; K113-Y116 HydrophobicContact CD-CE2 4.31Å; K113-Y116 PolarHBondContact O-N 3.35Å; M114-Y116 VanDerWaalsContact C-N 3.33Å; M114-Y116 PolarHBondContact O-N 2.85Å; Y116-E119 PolarHBondContact O-N 3.49Å; Y116-Y120 WeakPolarHBondContact O-CB 3.25Å; Y116-Y120 PolarHBondContact O-N 3.09Å
117Y98.7Very high97Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-66.8-40.7173.6-174.4-97.8000111.7C101 M112 K113 M114 Y120 L121 L130 Y131 I132 M177C101-Y117 HydrophobicContact CB-CE2 4.39Å; M112-Y117 HydrophobicContact CE-CD2 4.01Å; K113-Y117 PolarHBondContact O-N 2.87Å; M114-Y117 PolarHBondContact O-N 3.16Å; Y117-Y120 HydrophobicContact CD2-CD1 4.28Å; Y117-Y120 HydrophobicContact CE2-CD1 4.22Å; Y117-Y120 HydrophobicContact CE2-CE1 4.5Å; Y117-Y120 WeakPolarHBondContact O-CB 3.27Å; Y117-Y120 PolarHBondContact O-N 3.11Å; Y117-L121 HydrophobicContact CE1-CD1 3.94Å; Y117-L121 VanDerWaalsContact O-CB 3.3Å; Y117-L121 WeakPolarHBondContact O-CB 3.14Å; Y117-L121 PolarHBondContact O-N 2.86Å; Y117-L130 VanDerWaalsContact CE2-O 3.31Å; Y117-L130 WeakPolarHBondContact CE2-O 3.37Å; Y117-L130 PolarHBondContact OH-O 3.5Å; Y117-Y131 WeakPolarHBondContact OH-CA 3.34Å; Y117-I132 HydrophobicContact CD1-CD1 3.28Å; Y117-I132 HydrophobicContact CD1-CG1 3.87Å; Y117-I132 HydrophobicContact CD2-CD1 4.05Å; Y117-I132 HydrophobicContact CD2-CG1 3.92Å; Y117-I132 HydrophobicContact CE1-CB 4.21Å; Y117-I132 HydrophobicContact CE1-CD1 3.57Å; Y117-I132 HydrophobicContact CE1-CG1 3.73Å; Y117-I132 HydrophobicContact CE2-CD1 4.31Å; Y117-I132 HydrophobicContact CE2-CG1 3.82Å; Y117-I132 HydrophobicContact CG-CD1 3.52Å; Y117-I132 HydrophobicContact CG-CG1 3.94Å; Y117-I132 PolarHBondContact OH-N 3.06Å; Y117-M177 HydrophobicContact CE1-CG 4.13Å; Y117-M177 HydrophobicContact CE1-SD 4.44Å; Y117-M177 PolarHBondContact OH-O 2.87Å
118V98.1Very high97.6Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-66.1-44.6172.3172.50000111.3M87 K91 M114 Y120 L121 E122 M177M87-V118 HydrophobicContact CE-CB 4.15Å; M87-V118 HydrophobicContact CE-CG1 3.55Å; M87-V118 HydrophobicContact CE-CG2 3.85Å; K91-V118 HydrophobicContact CB-CG1 4.39Å; K91-V118 HydrophobicContact CB-CG2 4.33Å; K91-V118 HydrophobicContact CD-CB 4.28Å; K91-V118 HydrophobicContact CD-CG1 3.59Å; K91-V118 VanDerWaalsContact CE-CG1 3.42Å; K91-V118 HydrophobicContact CG-CB 4.21Å; K91-V118 HydrophobicContact CG-CG1 4.04Å; K91-V118 HydrophobicContact CG-CG2 4.47Å; M114-V118 HydrophobicContact CG-CG2 4.42Å; M114-V118 WeakPolarHBondContact O-CG2 3.4Å; M114-V118 PolarHBondContact O-N 3.38Å; M114-V118 HydrophobicContact SD-CG2 3.77Å; V118-Y120 PolarHBondContact O-N 3.31Å; V118-L121 PolarHBondContact O-N 3.07Å; V118-E122 VanDerWaalsContact CG1-CD 3.47Å; V118-E122 HydrophobicContact CG1-CG 4.14Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.46Å; V118-E122 VanDerWaalsContact O-CB 3.3Å; V118-E122 WeakPolarHBondContact O-CB 3.31Å; V118-E122 WeakPolarHBondContact O-CG 3.4Å; V118-E122 PolarHBondContact O-N 2.83Å; V118-M177 HydrophobicContact CG2-CE 4.13Å
119E97.8Very high97.9Very high35 Ų3531 Ų3116%0.16416%0.158CC..Hα-helixtrans-58.3-31.8173.2-82.5-179.9-118.900113.1M1 S5 K115 Y116 S123M1-E119 HydrophobicContact CG-CB 4.1Å; S5-E119 WeakPolarHBondContact CB-OE2 3.14Å; S5-E119 PolarHBondContact OG-OE2 3.36Å; K115-E119 WeakPolarHBondContact O-CB 3.3Å; K115-E119 WeakPolarHBondContact O-CG 3.27Å; K115-E119 PolarHBondContact O-N 3.48Å; Y116-E119 PolarHBondContact O-N 3.49Å; E119-S123 PolarHBondContact O-OG 2.78Å
120Y98.4Very high98.1Very high7 Ų729 Ų293%0.02714%0.143CC..Hα-helixtrans-73-50.2174.3166-107.7000112.2I9 Y116 Y117 V118 E122 S123 T124 D126 P129 L130I9-Y120 HydrophobicContact CD1-CD2 4.44Å; I9-Y120 HydrophobicContact CG2-CD2 3.65Å; I9-Y120 HydrophobicContact CG2-CE2 4.16Å; I9-Y120 HydrophobicContact CG2-CG 4.37Å; Y116-Y120 WeakPolarHBondContact O-CB 3.25Å; Y116-Y120 PolarHBondContact O-N 3.09Å; Y117-Y120 HydrophobicContact CD2-CD1 4.28Å; Y117-Y120 HydrophobicContact CE2-CD1 4.22Å; Y117-Y120 HydrophobicContact CE2-CE1 4.5Å; Y117-Y120 WeakPolarHBondContact O-CB 3.27Å; Y117-Y120 PolarHBondContact O-N 3.11Å; V118-Y120 PolarHBondContact O-N 3.31Å; Y120-E122 PolarHBondContact O-N 2.77Å; Y120-S123 CarbonylContact O-C 3.37Å; Y120-S123 PolarHBondContact O-N 2.84Å; Y120-T124 HydrophobicContact CE1-CG2 4.3Å; Y120-T124 HydrophobicContact CE2-CG2 4.34Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.3Å; Y120-T124 WeakPolarHBondContact O-CB 3.4Å; Y120-T124 PolarHBondContact O-N 3.2Å; Y120-T124 PolarHBondContact OH-OG1 3.02Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.28Å; Y120-D126 PolarHBondContact OH-OD2 2.86Å; Y120-P129 HydrophobicContact CE1-CB 4.24Å; Y120-P129 VanDerWaalsContact OH-CA 3.22Å; Y120-P129 WeakPolarHBondContact OH-CA 3.41Å; Y120-P129 WeakPolarHBondContact OH-CB 3.33Å; Y120-L130 HydrophobicContact CE1-CB 3.71Å; Y120-L130 HydrophobicContact CE1-CD1 4.49Å; Y120-L130 HydrophobicContact CE1-CG 4.35Å; Y120-L130 PolarHBondContact OH-N 3.23Å
121L96.4Very high98.1Very high17 Ų1729.6 Ų29.69%0.08914%0.144CC..Hα-helixtrans-57.2-40.2177.7-170.8162.1000111M87 Y117 V118 S123 M177 P179 T280M87-L121 HydrophobicContact CE-CD1 4Å; M87-L121 HydrophobicContact CE-CD2 3.74Å; M87-L121 HydrophobicContact CE-CG 4.31Å; M87-L121 HydrophobicContact SD-CD1 4.35Å; Y117-L121 HydrophobicContact CE1-CD1 3.94Å; Y117-L121 VanDerWaalsContact O-CB 3.3Å; Y117-L121 WeakPolarHBondContact O-CB 3.14Å; Y117-L121 PolarHBondContact O-N 2.86Å; V118-L121 PolarHBondContact O-N 3.07Å; L121-S123 PolarHBondContact O-N 3.3Å; L121-S123 VanDerWaalsContact O-N 3.17Å; L121-M177 HydrophobicContact CD1-CE 4.37Å; L121-P179 HydrophobicContact CD2-CB 4.44Å; L121-P179 HydrophobicContact CG-CB 3.93Å; L121-P179 HydrophobicContact CG-CG 4.41Å; L121-T280 HydrophobicContact CD1-CG2 4.21Å; L121-T280 HydrophobicContact CD2-CG2 3.85Å
122E95.9Very high98.1Very high109 Ų10926.6 Ų26.651%0.50913%0.131SC..THydrogen-bonded Turntrans-67.5-3.1174.4-71.6166.2170.200114.8K91 V118 Y120K91-E122 IonicContact NZ-OE1 2.8Å; K91-E122 PolarHBondContact NZ-OE1 3.04Å; K91-E122 IonicContact NZ-OE2 2.75Å; K91-E122 PolarHBondContact NZ-OE2 2.68Å; V118-E122 VanDerWaalsContact CG1-CD 3.47Å; V118-E122 HydrophobicContact CG1-CG 4.14Å; V118-E122 WeakPolarHBondContact CG1-OE1 3.46Å; V118-E122 VanDerWaalsContact O-CB 3.3Å; V118-E122 WeakPolarHBondContact O-CB 3.31Å; V118-E122 WeakPolarHBondContact O-CG 3.4Å; V118-E122 PolarHBondContact O-N 2.83Å; Y120-E122 PolarHBondContact O-N 2.77Å
123S96.5Very high98.1Very high62 Ų6227.2 Ų27.243%0.43413%0.134SC..THydrogen-bonded Turntrans-154.220-172.962.60000116.4M1 E119 Y120 L121M1-S123 WeakPolarHBondContact CE-OG 3.47Å; E119-S123 PolarHBondContact O-OG 2.78Å; Y120-S123 CarbonylContact O-C 3.37Å; Y120-S123 PolarHBondContact O-N 2.84Å; L121-S123 PolarHBondContact O-N 3.3Å; L121-S123 VanDerWaalsContact O-N 3.17Å
124T97.9Very high98.1Very high20 Ų2024 Ų2412%0.12312%0.12CC..  trans-97.3128.6-176.2-173.70000113.3Y120 D126 P129 P179 R181Y120-T124 HydrophobicContact CE1-CG2 4.3Å; Y120-T124 HydrophobicContact CE2-CG2 4.34Å; Y120-T124 WeakPolarHBondContact CE2-OG1 3.3Å; Y120-T124 WeakPolarHBondContact O-CB 3.4Å; Y120-T124 PolarHBondContact O-N 3.2Å; Y120-T124 PolarHBondContact OH-OG1 3.02Å; T124-D126 WeakPolarHBondContact OG1-CB 3.28Å; T124-D126 PolarHBondContact OG1-N 2.86Å; T124-D126 PolarHBondContact OG1-OD2 2.95Å; T124-D126 VanDerWaalsContact OG1-OD2 3.11Å; T124-P129 HydrophobicContact CG2-CB 4.1Å; T124-P129 HydrophobicContact CG2-CG 4.17Å; T124-P179 HydrophobicContact CG2-CB 4.23Å; T124-P179 HydrophobicContact CG2-CG 4.06Å; T124-R181 PolarHBondContact O-NH2 2.91Å
125Q97.9Very high98.1Very high115 Ų11525.2 Ų25.254%0.53713%0.128SC..  trans-104.113.9170.5-62.4-175.5-77.900111.9C32 E33 R181C32-Q125 HydrophobicContact CB-CB 3.97Å; C32-Q125 HydrophobicContact CB-CG 4.47Å; E33-Q125 PolarHBondContact OE1-NE2 2.87Å; Q125-R181 VanDerWaalsContact C-NH2 3.28Å
126D98.6Very high98.1Very high11 Ų1124.4 Ų24.46%0.05913%0.127CC..  trans-62.5144-176.3-61.6-21.3000112.5K13 W26 Y120 T124 P129 R181K13-D126 WeakPolarHBondContact CE-OD2 3.29Å; K13-D126 IonicContact NZ-OD1 2.65Å; K13-D126 PolarHBondContact NZ-OD1 3.09Å; K13-D126 IonicContact NZ-OD2 2.71Å; K13-D126 PolarHBondContact NZ-OD2 2.99Å; W26-D126 HydrophobicContact CE3-CB 4.27Å; W26-D126 CarbonylContact O-C 3.59Å; W26-D126 VanDerWaalsContact O-CA 3.25Å; W26-D126 WeakPolarHBondContact O-CA 3.26Å; Y120-D126 WeakPolarHBondContact CE2-OD2 3.28Å; Y120-D126 PolarHBondContact OH-OD2 2.86Å; T124-D126 WeakPolarHBondContact OG1-CB 3.28Å; T124-D126 PolarHBondContact OG1-N 2.86Å; T124-D126 PolarHBondContact OG1-OD2 2.95Å; T124-D126 VanDerWaalsContact OG1-OD2 3.11Å; D126-P129 HydrophobicContact CB-CB 4.33Å; D126-P129 HydrophobicContact CB-CG 4.1Å; D126-R181 VanDerWaalsContact O-CZ 3.3Å; D126-R181 PolarHBondContact O-NE 2.86Å; D126-R181 PolarHBondContact O-NH2 3.2Å
127D98.4Very high98Very high1 Ų123.4 Ų23.41%0.00512%0.123CC..SBendtrans-56.9-61.1177-72.1-22.8000110.5W26 K28 H29 D30 Y31 R181W26-D127 PolarHBondContact O-N 2.92Å; K28-D127 PolarHBondContact N-OD2 3.24Å; H29-D127 IonicContact CE1-OD2 2.76Å; H29-D127 IonicContact CG-OD2 2.71Å; H29-D127 PolarHBondContact N-OD1 2.96Å; H29-D127 PolarHBondContact N-OD2 3.35Å; H29-D127 IonicContact ND1-OD2 3.22Å; H29-D127 PolarHBondContact ND1-OD2 3.32Å; D30-D127 PolarHBondContact N-OD1 2.91Å; Y31-D127 HydrophobicContact CD2-CB 3.79Å; Y31-D127 HydrophobicContact CE2-CB 4.46Å; Y31-D127 PolarHBondContact N-OD1 2.75Å; D127-R181 WeakPolarHBondContact O-CB 3.14Å
128S98.5Very high98Very high4 Ų423.8 Ų23.83%0.02813%0.127CC..SBendtrans-114.5106162-1690000109.5E231S128-E231 VanDerWaalsContact CB-CD 3.46Å; S128-E231 WeakPolarHBondContact CB-OE2 3.34Å; S128-E231 PolarHBondContact OG-OE2 2.92Å
129P98.6Very high97.9Very high5 Ų528.8 Ų28.83%0.03215%0.15CC..  trans-69.1153178.8-23.734.5000114.4Y120 T124 D126 Y131 P179 S182Y120-P129 HydrophobicContact CE1-CB 4.24Å; Y120-P129 VanDerWaalsContact OH-CA 3.22Å; Y120-P129 WeakPolarHBondContact OH-CA 3.41Å; Y120-P129 WeakPolarHBondContact OH-CB 3.33Å; T124-P129 HydrophobicContact CG2-CB 4.1Å; T124-P129 HydrophobicContact CG2-CG 4.17Å; D126-P129 HydrophobicContact CB-CB 4.33Å; D126-P129 HydrophobicContact CB-CG 4.1Å; P129-Y131 PolarHBondContact O-N 2.86Å; P129-P179 HydrophobicContact CB-CG 3.42Å; P129-P179 VanDerWaalsContact CB-CG 3.42Å; P129-P179 HydrophobicContact CG-CG 3.7Å; P129-S182 WeakPolarHBondContact O-CB 3.37Å
130L98.6Very high97.8Very high9 Ų931.8 Ų31.85%0.04716%0.164CC..  trans-53.2131.3168.7-64.8174.5000110.3A12 K13 A16 W26 M112 Y117 Y120A12-L130 HydrophobicContact CB-CD1 4.16Å; K13-L130 HydrophobicContact CG-CD1 3.89Å; K13-L130 HydrophobicContact CG-CG 4.37Å; A16-L130 HydrophobicContact CB-CD2 3.76Å; W26-L130 HydrophobicContact CH2-CD2 3.72Å; W26-L130 HydrophobicContact CH2-CG 4.16Å; W26-L130 HydrophobicContact CZ3-CD2 4.06Å; W26-L130 HydrophobicContact CZ3-CG 4.1Å; M112-L130 HydrophobicContact CE-CD1 4.22Å; Y117-L130 VanDerWaalsContact CE2-O 3.31Å; Y117-L130 WeakPolarHBondContact CE2-O 3.37Å; Y117-L130 PolarHBondContact OH-O 3.5Å; Y120-L130 HydrophobicContact CE1-CB 3.71Å; Y120-L130 HydrophobicContact CE1-CD1 4.49Å; Y120-L130 HydrophobicContact CE1-CG 4.35Å; Y120-L130 PolarHBondContact OH-N 3.23Å
131Y98.6Very high97.7Very high25 Ų2535.6 Ų35.610%0.09820%0.197CC..  trans-118.7127.7-171.2-169.9-160.4000110.6C101 Y117 P129 F133 V176 M177 S182 G183 K204 N277C101-Y131 WeakPolarHBondContact CA-O 3.19Å; Y117-Y131 WeakPolarHBondContact OH-CA 3.34Å; P129-Y131 PolarHBondContact O-N 2.86Å; Y131-F133 HydrophobicContact CE1-CD2 4.37Å; Y131-F133 PolarHBondContact O-N 3.32Å; Y131-V176 HydrophobicContact CD2-CG1 4.49Å; Y131-V176 HydrophobicContact CE1-CG1 4.14Å; Y131-V176 HydrophobicContact CE2-CG1 3.53Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.43Å; Y131-M177 WeakPolarHBondContact CD2-O 3.31Å; Y131-S182 VanDerWaalsContact CD2-OG 3.23Å; Y131-S182 WeakPolarHBondContact CD2-OG 3.44Å; Y131-G183 WeakPolarHBondContact CD1-O 3.47Å; Y131-K204 PolarHBondContact OH-NZ 2.88Å; Y131-N277 WeakPolarHBondContact CE2-ND2 3.41Å; Y131-N277 PolarHBondContact OH-OD1 2.97Å
132I98.8Very high97.7Very high2 Ų241.8 Ų41.81%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-72.5126.5171.9-80.9175.4000109.1F99 K100 C101 M114 Y117 F175 V176 M177F99-I132 HydrophobicContact CB-CD1 3.81Å; F99-I132 HydrophobicContact CB-CG1 4.11Å; F99-I132 HydrophobicContact CB-CG2 4.15Å; F99-I132 HydrophobicContact CG-CD1 4.34Å; K100-I132 WeakPolarHBondContact O-CA 3.14Å; C101-I132 HydrophobicContact CB-CG1 4.14Å; M114-I132 HydrophobicContact CE-CD1 4.16Å; Y117-I132 HydrophobicContact CD1-CD1 3.28Å; Y117-I132 HydrophobicContact CD1-CG1 3.87Å; Y117-I132 HydrophobicContact CD2-CD1 4.05Å; Y117-I132 HydrophobicContact CD2-CG1 3.92Å; Y117-I132 HydrophobicContact CE1-CB 4.21Å; Y117-I132 HydrophobicContact CE1-CD1 3.57Å; Y117-I132 HydrophobicContact CE1-CG1 3.73Å; Y117-I132 HydrophobicContact CE2-CD1 4.31Å; Y117-I132 HydrophobicContact CE2-CG1 3.82Å; Y117-I132 HydrophobicContact CG-CD1 3.52Å; Y117-I132 HydrophobicContact CG-CG1 3.94Å; Y117-I132 PolarHBondContact OH-N 3.06Å; I132-F175 HydrophobicContact CG2-CD1 3.91Å; I132-F175 HydrophobicContact CG2-CE1 4.17Å; I132-V176 WeakPolarHBondContact O-CA 3.37Å; I132-M177 HydrophobicContact CB-CB 4.14Å; I132-M177 WeakPolarHBondContact CB-O 3.16Å; I132-M177 HydrophobicContact CG2-CB 4.24Å; I132-M177 PolarHBondContact N-O 2.84Å; I132-M177 PolarHBondContact O-N 3.17Å
133F98.4Very high97.8Very high23 Ų2336.9 Ų36.910%0.10120%0.2CC..EExtended strand (participates in β ladder)trans-14666.3179.8-154-94.1000108.8K100 Y131 W174 V176 T285K100-F133 WeakPolarHBondContact CD-O 2.96Å; K100-F133 PolarHBondContact O-N 3.27Å; K100-F133 VanDerWaalsContact O-N 3.09Å; Y131-F133 HydrophobicContact CE1-CD2 4.37Å; Y131-F133 PolarHBondContact O-N 3.32Å; F133-W174 HydrophobicContact CD1-CB 4.25Å; F133-W174 AromaticContact CD1-CD1 3.25Å; F133-W174 AromaticContact CD1-CG 3.83Å; F133-W174 HydrophobicContact CD1-CG 3.83Å; F133-W174 AromaticContact CD1-NE1 3.82Å; F133-W174 HydrophobicContact CE1-CB 4.11Å; F133-W174 AromaticContact CE1-CD1 3.24Å; F133-W174 AromaticContact CE1-CD2 3.94Å; F133-W174 HydrophobicContact CE1-CD2 3.94Å; F133-W174 AromaticContact CE1-CG 3.52Å; F133-W174 HydrophobicContact CE1-CG 3.52Å; F133-W174 AromaticContact CE1-NE1 3.53Å; F133-W174 HydrophobicContact CZ-CB 4.35Å; F133-W174 HydrophobicContact CZ-CD2 4.42Å; F133-W174 HydrophobicContact CZ-CG 4.1Å; F133-V176 HydrophobicContact CD2-CB 4.41Å; F133-V176 HydrophobicContact CD2-CG1 3.97Å; F133-V176 HydrophobicContact CD2-CG2 3.64Å; F133-V176 HydrophobicContact CE2-CG1 4.29Å; F133-V176 HydrophobicContact CE2-CG2 3.67Å; F133-V176 HydrophobicContact CG-CG2 4.43Å; F133-V176 HydrophobicContact CZ-CG2 4.48Å; F133-T285 HydrophobicContact CZ-CG2 4.48Å
134D98.7Very high97.9Very high0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-97.6119.1-170.6-163.8-67.8000112.2F99 K100 K111 S136 Y137 R143 W174 F175F99-D134 WeakPolarHBondContact CA-OD2 3.34Å; F99-D134 HydrophobicContact CB-CB 4.28Å; F99-D134 HydrophobicContact CD1-CB 3.97Å; K100-D134 HydrophobicContact CB-CB 4.07Å; K100-D134 PolarHBondContact N-OD2 3.43Å; K111-D134 IonicContact NZ-OD2 2.66Å; D134-S136 VanDerWaalsContact OD1-CA 3.3Å; D134-S136 WeakPolarHBondContact OD1-CA 3.37Å; D134-S136 WeakPolarHBondContact OD1-CB 3.26Å; D134-S136 PolarHBondContact OD1-N 3.12Å; D134-S136 PolarHBondContact OD1-OG 3.17Å; D134-S136 PolarHBondContact OD2-OG 2.85Å; D134-Y137 VanDerWaalsContact O-CD1 3.23Å; D134-Y137 WeakPolarHBondContact O-CD1 3.43Å; D134-Y137 PolarHBondContact OD1-N 2.75Å; D134-R143 IonicContact OD1-CZ 2.67Å; D134-R143 IonicContact OD1-NH1 3.97Å; D134-R143 PolarHBondContact OD1-NH1 3.4Å; D134-R143 IonicContact OD1-NH2 2.62Å; D134-R143 IonicContact OD2-CZ 3.17Å; D134-R143 IonicContact OD2-NH1 2.85Å; D134-R143 PolarHBondContact OD2-NH1 3.34Å; D134-R143 IonicContact OD2-NH2 3.89Å; D134-W174 WeakPolarHBondContact O-CA 3.22Å; D134-F175 PolarHBondContact N-O 3.47Å; D134-F175 PolarHBondContact O-N 2.8Å
135S97.9Very high98Very high25 Ų2544.3 Ų44.318%0.17522%0.219CC..SBendtrans-89.3-10.1176.248.50000115.4R173S135-R173 WeakPolarHBondContact CA-O 3.35Å; S135-R173 WeakPolarHBondContact CB-O 3.27Å
136S97.8Very high98Very high21 Ų2138.9 Ų38.915%0.14719%0.194CC..  trans-102.815-166.959.20000113.5K111 D134 E139 H140 R143K111-S136 PolarHBondContact NZ-OG 3.17Å; D134-S136 VanDerWaalsContact OD1-CA 3.3Å; D134-S136 WeakPolarHBondContact OD1-CA 3.37Å; D134-S136 WeakPolarHBondContact OD1-CB 3.26Å; D134-S136 PolarHBondContact OD1-N 3.12Å; D134-S136 PolarHBondContact OD1-OG 3.17Å; D134-S136 PolarHBondContact OD2-OG 2.85Å; S136-E139 VanDerWaalsContact CA-OE2 3.22Å; S136-E139 WeakPolarHBondContact CA-OE2 3.41Å; S136-H140 PolarHBondContact O-CD2 2.9Å; S136-R143 VanDerWaalsContact C-NH2 3.25Å; S136-R143 PolarHBondContact O-NH2 3Å; S136-R143 PolarHBondContact OG-NH2 2.71Å
137Y98.3Very high98Very high0 Ų041 Ų410%021%0.205CC..SBendtrans-73.8-36.9-17364.1-81.8000112.5D134 E139 R143 R144 L146 L147 Y150 R173 F175 I284D134-Y137 VanDerWaalsContact O-CD1 3.23Å; D134-Y137 WeakPolarHBondContact O-CD1 3.43Å; D134-Y137 PolarHBondContact OD1-N 2.75Å; Y137-E139 VanDerWaalsContact C-N 3.27Å; Y137-E139 PolarHBondContact O-N 2.92Å; Y137-R143 CarbonylContact O-C 3.44Å; Y137-R143 WeakPolarHBondContact O-CB 3.32Å; Y137-R144 VanDerWaalsContact O-CA 3.26Å; Y137-R144 WeakPolarHBondContact O-CA 3.3Å; Y137-R144 PolarHBondContact O-N 2.78Å; Y137-L146 HydrophobicContact CD2-CB 3.89Å; Y137-L146 HydrophobicContact CD2-CD1 4.15Å; Y137-L146 HydrophobicContact CE2-CB 4.29Å; Y137-L146 HydrophobicContact CG-CD1 4.33Å; Y137-L147 HydrophobicContact CE2-CD2 3.64Å; Y137-L147 HydrophobicContact CE2-CG 4.08Å; Y137-Y150 HydrophobicContact CE2-CE1 4.33Å; Y137-Y150 PolarHBondContact OH-OH 3.12Å; Y137-R173 HydrophobicContact CE1-CG 4.01Å; Y137-R173 WeakPolarHBondContact OH-CD 3.38Å; Y137-R173 WeakPolarHBondContact OH-CG 3.17Å; Y137-F175 HydrophobicContact CD1-CB 4.07Å; Y137-F175 HydrophobicContact CE1-CB 4.3Å; Y137-F175 HydrophobicContact CG-CB 4.4Å; Y137-I284 HydrophobicContact CE1-CD1 4.27Å; Y137-I284 HydrophobicContact CE2-CD1 4.46Å; Y137-I284 VanDerWaalsContact OH-CD1 3.22Å; Y137-I284 WeakPolarHBondContact OH-CD1 3.3Å
138G97.4Very high98Very high8 Ų845.7 Ų45.78%0.08223%0.227CC..THydrogen-bonded Turntrans-67-26.9-177.800000114.1R144G138-R144 WeakPolarHBondContact O-CB 3.49Å
139E96.4Very high98Very high105 Ų10545.5 Ų45.549%0.49123%0.225SC..THydrogen-bonded Turntrans-93.3-10.2-169.7-5762.4-12800111.1S136 Y137 R173S136-E139 VanDerWaalsContact CA-OE2 3.22Å; S136-E139 WeakPolarHBondContact CA-OE2 3.41Å; Y137-E139 VanDerWaalsContact C-N 3.27Å; Y137-E139 PolarHBondContact O-N 2.92Å; E139-R173 IonicContact OE1-CZ 3.64Å; E139-R173 IonicContact OE1-NE 3.64Å; E139-R173 IonicContact OE1-NH2 2.73Å; E139-R173 PolarHBondContact OE1-NH2 3.34Å
140H96.3Very high98Very high98 Ų9846.3 Ų46.345%0.45423%0.228SC..SBendtrans-107.5119.2-178-79.1-111.1000111.5S136 K142 R143 R144S136-H140 PolarHBondContact O-CD2 2.9Å; H140-K142 PolarHBondContact O-N 2.98Å; H140-R143 HydrophobicContact CB-CB 4.29Å; H140-R143 PolarHBondContact CD2-NH2 3.24Å; H140-R143 VanDerWaalsContact CD2-NH2 3.34Å; H140-R143 PolarHBondContact O-N 3.26Å; H140-R144 PolarHBondContact O-N 2.87Å
141A95.8Very high98Very high87 Ų8750.5 Ų50.572%0.71925%0.247SC*.THydrogen-bonded Turntrans-47.5-31.8-169.200000117.2
142K97.3Very high98Very high148 Ų14851.4 Ų51.464%0.64326%0.255SS*.THydrogen-bonded Turntrans-95.8-18.4177.3-69.8-174.1177.7-178.50114.6Y94 Q97 H140Y94-K142 WeakPolarHBondContact CE1-O 3.35Å; Q97-K142 HydrophobicContact CG-CB 4.33Å; H140-K142 PolarHBondContact O-N 2.98Å
143R98.2Very high97.9Very high6 Ų651.7 Ų51.72%0.02326%0.257CS..THydrogen-bonded Turntrans-93.5-26.6177.9-63.1-170.9-59.4169.111112.4Q97 K98 F99 D134 S136 Y137 H140 K145 L146Q97-R143 HydrophobicContact CB-CG 4.05Å; Q97-R143 HydrophobicContact CG-CG 4.17Å; K98-R143 VanDerWaalsContact O-CD 3.29Å; K98-R143 WeakPolarHBondContact O-CD 3.37Å; K98-R143 PolarHBondContact O-NH1 3.5Å; F99-R143 HydrophobicContact CE1-CG 4.47Å; F99-R143 HydrophobicContact CZ-CG 4.15Å; D134-R143 IonicContact OD1-CZ 2.67Å; D134-R143 IonicContact OD1-NH1 3.97Å; D134-R143 PolarHBondContact OD1-NH1 3.4Å; D134-R143 IonicContact OD1-NH2 2.62Å; D134-R143 IonicContact OD2-CZ 3.17Å; D134-R143 IonicContact OD2-NH1 2.85Å; D134-R143 PolarHBondContact OD2-NH1 3.34Å; D134-R143 IonicContact OD2-NH2 3.89Å; S136-R143 VanDerWaalsContact C-NH2 3.25Å; S136-R143 PolarHBondContact O-NH2 3Å; S136-R143 PolarHBondContact OG-NH2 2.71Å; Y137-R143 CarbonylContact O-C 3.44Å; Y137-R143 WeakPolarHBondContact O-CB 3.32Å; H140-R143 HydrophobicContact CB-CB 4.29Å; H140-R143 PolarHBondContact CD2-NH2 3.24Å; H140-R143 VanDerWaalsContact CD2-NH2 3.34Å; H140-R143 PolarHBondContact O-N 3.26Å; R143-K145 PolarHBondContact O-N 2.84Å; R143-L146 PolarHBondContact O-N 2.89Å
144R98.3Very high97.8Very high143 Ų14354.1 Ų54.154%0.5427%0.274SS..G310 helixtrans-57.2-18.9179.375.8178.6-68.7-173.5-0.3114.3Y137 G138 H140 L146 L147Y137-R144 VanDerWaalsContact O-CA 3.26Å; Y137-R144 WeakPolarHBondContact O-CA 3.3Å; Y137-R144 PolarHBondContact O-N 2.78Å; G138-R144 WeakPolarHBondContact O-CB 3.49Å; H140-R144 PolarHBondContact O-N 2.87Å; R144-L146 PolarHBondContact O-N 2.76Å; R144-L147 HydrophobicContact CB-CD1 4.49Å; R144-L147 VanDerWaalsContact O-CB 3.26Å; R144-L147 WeakPolarHBondContact O-CB 3.39Å; R144-L147 PolarHBondContact O-N 3.22Å
145K98.5Very high97.7Very high94 Ų9455.2 Ų55.241%0.40928%0.278SS..G310 helixtrans-62-2169.9-61-154.9148.2-76.60115.2K93 Y94 R143 E148K93-K145 PolarHBondContact NZ-O 2.88Å; K93-K145 VanDerWaalsContact NZ-O 3.07Å; Y94-K145 VanDerWaalsContact OH-C 3.28Å; Y94-K145 PolarHBondContact OH-O 3.15Å; R143-K145 PolarHBondContact O-N 2.84Å; K145-E148 WeakPolarHBondContact CG-OE1 3.39Å; K145-E148 IonicContact NZ-OE1 3.99Å; K145-E148 PolarHBondContact NZ-OE1 3.3Å; K145-E148 IonicContact NZ-OE2 2.71Å; K145-E148 PolarHBondContact NZ-OE2 3.28Å
146L98.6Very high97.7Very high1 Ų154.2 Ų54.21%0.00527%0.271CS..G310 helixtrans-78.7-26.6165.3-68.7170.2000111.8W85 L90 Y94 F99 Y137 R143 R144 E148 D149 Y150 F175W85-L146 HydrophobicContact CZ2-CB 4.28Å; W85-L146 HydrophobicContact CZ2-CD2 3.99Å; L90-L146 HydrophobicContact CD2-CD2 4.42Å; Y94-L146 HydrophobicContact CE1-CG 4.34Å; Y94-L146 HydrophobicContact CE2-CD2 3.63Å; Y94-L146 HydrophobicContact CE2-CG 4.21Å; Y94-L146 WeakPolarHBondContact OH-CD2 3.39Å; Y94-L146 WeakPolarHBondContact OH-CG 3.32Å; Y94-L146 PolarHBondContact OH-N 2.81Å; F99-L146 HydrophobicContact CE1-CD1 3.99Å; F99-L146 HydrophobicContact CZ-CD1 4.38Å; Y137-L146 HydrophobicContact CD2-CB 3.89Å; Y137-L146 HydrophobicContact CD2-CD1 4.15Å; Y137-L146 HydrophobicContact CE2-CB 4.29Å; Y137-L146 HydrophobicContact CG-CD1 4.33Å; R143-L146 PolarHBondContact O-N 2.89Å; R144-L146 PolarHBondContact O-N 2.76Å; L146-E148 PolarHBondContact O-N 2.71Å; L146-D149 WeakPolarHBondContact O-CB 3.34Å; L146-D149 PolarHBondContact O-N 3.07Å; L146-D149 VanDerWaalsContact O-N 3.11Å; L146-Y150 VanDerWaalsContact O-CD1 3.31Å; L146-Y150 WeakPolarHBondContact O-CD1 3.47Å; L146-F175 HydrophobicContact CD1-CB 4.24Å; L146-F175 HydrophobicContact CD1-CD1 4.42Å; L146-F175 HydrophobicContact CD1-CD2 3.88Å; L146-F175 HydrophobicContact CD1-CE2 4.39Å; L146-F175 HydrophobicContact CD1-CG 3.9Å; L146-F175 HydrophobicContact CD2-CD2 4.37Å; L146-F175 HydrophobicContact CD2-CE2 4.27Å
147L98.6Very high97.4Very high57 Ų5759.8 Ų59.830%0.29829%0.289SS..THydrogen-bonded Turntrans-69.5-13171-57.8169.9000112.4Y137 R144 D149 Y150Y137-L147 HydrophobicContact CE2-CD2 3.64Å; Y137-L147 HydrophobicContact CE2-CG 4.08Å; R144-L147 HydrophobicContact CB-CD1 4.49Å; R144-L147 VanDerWaalsContact O-CB 3.26Å; R144-L147 WeakPolarHBondContact O-CB 3.39Å; R144-L147 PolarHBondContact O-N 3.22Å; L147-D149 VanDerWaalsContact C-N 3.26Å; L147-Y150 HydrophobicContact CD2-CE1 4.03Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.4Å
148E98.6Very high97Very high98 Ų9862.2 Ų62.246%0.45830%0.302SS..THydrogen-bonded Turntrans-84.70.4172.5-58.7167.9-171.200112.2K84 K145 L146K84-E148 PolarHBondContact NZ-O 3.11Å; K145-E148 WeakPolarHBondContact CG-OE1 3.39Å; K145-E148 IonicContact NZ-OE1 3.99Å; K145-E148 PolarHBondContact NZ-OE1 3.3Å; K145-E148 IonicContact NZ-OE2 2.71Å; K145-E148 PolarHBondContact NZ-OE2 3.28Å; L146-E148 PolarHBondContact O-N 2.71Å
149D98.7Very high97Very high0 Ų063 Ų630%030%0.304CS..SBendtrans-117.3-10-170.5-56.2-22.2000113P80 A81 K84 W85 K93 L146 L147P80-D149 VanDerWaalsContact CD-O 3.31Å; P80-D149 WeakPolarHBondContact CD-O 3.49Å; A81-D149 HydrophobicContact CB-CB 4.3Å; A81-D149 WeakPolarHBondContact CB-O 3.47Å; A81-D149 PolarHBondContact N-O 3.4Å; K84-D149 HydrophobicContact CD-CB 4.22Å; K84-D149 WeakPolarHBondContact CD-OD1 3.39Å; K84-D149 WeakPolarHBondContact CE-OD1 3.32Å; K84-D149 IonicContact NZ-OD1 2.76Å; K84-D149 PolarHBondContact NZ-OD1 2.9Å; W85-D149 HydrophobicContact CZ2-CB 3.94Å; W85-D149 VanDerWaalsContact NE1-CB 3.26Å; W85-D149 PolarHBondContact NE1-OD2 2.74Å; K93-D149 IonicContact NZ-OD1 2.72Å; K93-D149 PolarHBondContact NZ-OD1 2.83Å; K93-D149 IonicContact NZ-OD2 2.95Å; K93-D149 PolarHBondContact NZ-OD2 3.06Å; L146-D149 WeakPolarHBondContact O-CB 3.34Å; L146-D149 PolarHBondContact O-N 3.07Å; L146-D149 VanDerWaalsContact O-N 3.11Å; L147-D149 VanDerWaalsContact C-N 3.26Å
150Y98.7Very high97Very high22 Ų2258 Ų589%0.08628%0.281CS..  trans-147.5167.4176.577.7-86.5000112.4W79 W85 Y137 L146 L147 W196 I284 Q286W79-Y150 HydrophobicContact CH2-CD2 4.26Å; W79-Y150 HydrophobicContact CZ2-CD2 4.37Å; W79-Y150 HydrophobicContact CZ3-CG 4.48Å; W85-Y150 AromaticContact CH2-CD1 3.84Å; W85-Y150 HydrophobicContact CH2-CD1 3.84Å; W85-Y150 HydrophobicContact CH2-CE1 4.48Å; W85-Y150 HydrophobicContact CH2-CG 4.49Å; W85-Y150 AromaticContact CZ2-CD1 3.99Å; W85-Y150 HydrophobicContact CZ2-CD1 3.99Å; Y137-Y150 HydrophobicContact CE2-CE1 4.33Å; Y137-Y150 PolarHBondContact OH-OH 3.12Å; L146-Y150 VanDerWaalsContact O-CD1 3.31Å; L146-Y150 WeakPolarHBondContact O-CD1 3.47Å; L147-Y150 HydrophobicContact CD2-CE1 4.03Å; L147-Y150 WeakPolarHBondContact CD2-OH 3.4Å; Y150-W196 HydrophobicContact CD2-CH2 4.45Å; Y150-W196 HydrophobicContact CE2-CH2 4.22Å; Y150-I284 HydrophobicContact CD1-CG1 4.45Å; Y150-I284 HydrophobicContact CD2-CG2 4.36Å; Y150-I284 HydrophobicContact CE1-CD1 3.98Å; Y150-I284 HydrophobicContact CE1-CG1 4Å; Y150-I284 HydrophobicContact CE2-CG1 4.11Å; Y150-I284 HydrophobicContact CG-CG2 4.4Å; Y150-Q286 VanDerWaalsContact CE2-NE2 3.35Å; Y150-Q286 PolarHBondContact OH-NE2 2.78Å
151Q97.8Very high97.1Very high97 Ų9753.7 Ų53.745%0.45326%0.261SS..  trans-131.2151.1172.761.5174.521.800111.4T78 W79 P153T78-Q151 PolarHBondContact OG1-NE2 3.13Å; W79-Q151 WeakPolarHBondContact CZ2-O 3.42Å; W79-Q151 PolarHBondContact NE1-O 3.18Å; Q151-P153 WeakPolarHBondContact O-CD 3.27Å
152V98.1Very high97.2Very high44 Ų4453.5 Ų53.527%0.26725%0.245SC..  trans-70.5124.4175.8-176.80000109.7F156 R157 W196V152-F156 HydrophobicContact CG1-CB 4.04Å; V152-R157 HydrophobicContact CG1-CG 4.22Å; V152-R157 PolarHBondContact O-NE 3.37Å; V152-R157 PolarHBondContact O-NH2 2.82Å; V152-W196 HydrophobicContact CB-CZ2 4.37Å; V152-W196 HydrophobicContact CG1-CZ2 3.94Å; V152-W196 HydrophobicContact CG2-CZ2 4.18Å
153P97.3Very high97.2Very high8 Ų848.4 Ų48.45%0.05222%0.223CC..  trans-55.5150.4175-24.934000112.1C75 W79 Q151 Y155 F156 R157C75-P153 HydrophobicContact CB-CG 4.48Å; W79-P153 HydrophobicContact CZ2-CG 4.46Å; Q151-P153 WeakPolarHBondContact O-CD 3.27Å; P153-Y155 HydrophobicContact CB-CD2 4.14Å; P153-Y155 PolarHBondContact O-N 3.01Å; P153-Y155 VanDerWaalsContact O-N 3.14Å; P153-F156 HydrophobicContact CB-CD2 3.76Å; P153-F156 HydrophobicContact CB-CE2 3.98Å; P153-F156 HydrophobicContact CG-CD2 3.91Å; P153-F156 HydrophobicContact CG-CE2 4.09Å; P153-F156 PolarHBondContact O-N 2.63Å; P153-F156 VanDerWaalsContact O-N 3.13Å; P153-R157 WeakPolarHBondContact O-CG 3.44Å
154V96.3Very high97.2Very high74 Ų7448.1 Ų48.145%0.44822%0.222SC..G310 helixtrans-57.3-34.8-171.267.50000113.3F156V154-F156 PolarHBondContact O-N 3.01Å
155Y97.4Very high97Very high24 Ų2442.4 Ų42.49%0.09421%0.207CC..G310 helixtrans-61.1-21.1-179.4-46-67.9000114.9T51 L54 F59 L72 P153T51-Y155 WeakPolarHBondContact CB-OH 3.49Å; T51-Y155 HydrophobicContact CG2-CE2 3.56Å; T51-Y155 WeakPolarHBondContact CG2-OH 3.39Å; T51-Y155 PolarHBondContact O-OH 3.29Å; L54-Y155 HydrophobicContact CD2-CE1 4.24Å; L54-Y155 HydrophobicContact CG-CE1 4.32Å; L54-Y155 WeakPolarHBondContact O-CE1 3.35Å; L54-Y155 PolarHBondContact O-OH 3.43Å; F59-Y155 HydrophobicContact CB-CD1 3.4Å; F59-Y155 VanDerWaalsContact CB-CD1 3.4Å; F59-Y155 HydrophobicContact CB-CE1 3.72Å; F59-Y155 HydrophobicContact CB-CG 4.32Å; F59-Y155 AromaticContact CD1-CD1 3.87Å; F59-Y155 HydrophobicContact CD1-CD1 3.87Å; F59-Y155 HydrophobicContact CD1-CG 4.1Å; F59-Y155 HydrophobicContact CD2-CD1 4.16Å; F59-Y155 HydrophobicContact CD2-CG 4.3Å; F59-Y155 AromaticContact CG-CD1 3.52Å; F59-Y155 HydrophobicContact CG-CD1 3.52Å; F59-Y155 HydrophobicContact CG-CE1 4.21Å; F59-Y155 AromaticContact CG-CG 3.95Å; F59-Y155 HydrophobicContact CG-CG 3.95Å; L72-Y155 HydrophobicContact CD1-CD2 3.83Å; L72-Y155 HydrophobicContact CD1-CE2 4.15Å; P153-Y155 HydrophobicContact CB-CD2 4.14Å; P153-Y155 PolarHBondContact O-N 3.01Å; P153-Y155 VanDerWaalsContact O-N 3.14Å
156F97.3Very high96.8Very high4 Ų442.5 Ų42.52%0.01821%0.209CC..G310 helixtrans-120.122.3-166.6-46.2-51.8000113.3F59 L72 V152 P153 V154 W196 T264 F266 F288F59-F156 HydrophobicContact CE1-CE1 4.01Å; F59-F156 HydrophobicContact CE2-CE1 4.43Å; F59-F156 AromaticContact CZ-CE1 3.67Å; F59-F156 HydrophobicContact CZ-CE1 3.67Å; F59-F156 HydrophobicContact CZ-CZ 4.26Å; L72-F156 HydrophobicContact CD1-CE2 4.19Å; L72-F156 HydrophobicContact CD1-CZ 3.75Å; V152-F156 HydrophobicContact CG1-CB 4.04Å; P153-F156 HydrophobicContact CB-CD2 3.76Å; P153-F156 HydrophobicContact CB-CE2 3.98Å; P153-F156 HydrophobicContact CG-CD2 3.91Å; P153-F156 HydrophobicContact CG-CE2 4.09Å; P153-F156 PolarHBondContact O-N 2.63Å; P153-F156 VanDerWaalsContact O-N 3.13Å; V154-F156 PolarHBondContact O-N 3.01Å; F156-W196 VanDerWaalsContact CB-CD1 3.47Å; F156-W196 HydrophobicContact CB-CG 4.39Å; F156-W196 AromaticContact CD1-CD1 3.95Å; F156-W196 HydrophobicContact CD1-CG 4.46Å; F156-W196 HydrophobicContact CD2-CB 3.75Å; F156-W196 AromaticContact CD2-CD1 3.26Å; F156-W196 AromaticContact CD2-CD2 3.83Å; F156-W196 HydrophobicContact CD2-CD2 3.83Å; F156-W196 AromaticContact CD2-CG 3.33Å; F156-W196 HydrophobicContact CD2-CG 3.33Å; F156-W196 AromaticContact CD2-NE1 3.65Å; F156-W196 HydrophobicContact CE1-CB 4.25Å; F156-W196 HydrophobicContact CE2-CB 3.45Å; F156-W196 VanDerWaalsContact CE2-CB 3.45Å; F156-W196 AromaticContact CE2-CD1 3.93Å; F156-W196 HydrophobicContact CE2-CD2 4.22Å; F156-W196 AromaticContact CE2-CG 3.59Å; F156-W196 HydrophobicContact CE2-CG 3.59Å; F156-W196 HydrophobicContact CG-CB 4.28Å; F156-W196 AromaticContact CG-CD1 3.27Å; F156-W196 AromaticContact CG-CG 3.82Å; F156-W196 HydrophobicContact CG-CG 3.82Å; F156-W196 AromaticContact CG-NE1 3.71Å; F156-W196 HydrophobicContact CZ-CB 3.72Å; F156-W196 HydrophobicContact CZ-CG 4.25Å; F156-T264 HydrophobicContact CE2-CG2 4.42Å; F156-F266 AromaticContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CE2 4.44Å; F156-F266 HydrophobicContact CE1-CG 4.45Å; F156-F266 HydrophobicContact CZ-CB 4.38Å; F156-F266 HydrophobicContact CZ-CD2 4.36Å; F156-F288 HydrophobicContact CB-CD1 4.48Å; F156-F288 HydrophobicContact CD1-CD1 4.42Å; F156-F288 AromaticContact CD1-CE1 3.64Å; F156-F288 HydrophobicContact CD1-CE1 3.64Å; F156-F288 AromaticContact CD1-CE2 3.99Å; F156-F288 HydrophobicContact CD1-CE2 3.99Å; F156-F288 AromaticContact CD1-CZ 3.39Å; F156-F288 HydrophobicContact CD1-CZ 3.39Å; F156-F288 HydrophobicContact CE1-CE1 4.17Å; F156-F288 AromaticContact CE1-CZ 3.94Å; F156-F288 HydrophobicContact CE1-CZ 3.94Å; F156-F288 HydrophobicContact CG-CE1 4.27Å; F156-F288 HydrophobicContact CG-CZ 4.32Å
157R92Very high96.5Very high138 Ų13852.8 Ų52.852%0.52125%0.253SS..  trans-90.3-10.9-169-68.3-174.9177.7174.20.3116.3V152 P153 D159V152-R157 HydrophobicContact CG1-CG 4.22Å; V152-R157 PolarHBondContact O-NE 3.37Å; V152-R157 PolarHBondContact O-NH2 2.82Å; P153-R157 WeakPolarHBondContact O-CG 3.44Å; R157-D159 VanDerWaalsContact C-N 3.29Å; R157-D159 PolarHBondContact O-N 2.78Å
158D90.4Very high96.2Very high51 Ų5157.7 Ų57.727%0.27327%0.268SS..  trans-59.7-41.9179.5-123.54.4000111.6L160 Q162 T291 R320D158-L160 VanDerWaalsContact C-N 3.29Å; D158-L160 HydrophobicContact CB-CG 4.48Å; D158-L160 PolarHBondContact O-N 3.45Å; D158-Q162 PolarHBondContact O-NE2 2.87Å; D158-T291 VanDerWaalsContact OD2-CB 3.3Å; D158-T291 WeakPolarHBondContact OD2-CB 3.34Å; D158-T291 PolarHBondContact OD2-N 2.83Å; D158-T291 PolarHBondContact OD2-OG1 2.83Å; D158-R320 IonicContact OD1-NH1 3.35Å; D158-R320 PolarHBondContact OD1-NH1 3.38Å; D158-R320 VanDerWaalsContact OD1-NH1 3.15Å
159D95.9Very high96.1Very high25 Ų2553.8 Ų53.813%0.13425%0.249CC..  trans3056.7178.5-172.229.9000114.5R157 F161 Q162 R169 A289R157-D159 VanDerWaalsContact C-N 3.29Å; R157-D159 PolarHBondContact O-N 2.78Å; D159-F161 PolarHBondContact O-N 2.63Å; D159-Q162 WeakPolarHBondContact O-CB 2.94Å; D159-Q162 WeakPolarHBondContact O-CG 3.38Å; D159-Q162 PolarHBondContact O-N 3Å; D159-Q162 PolarHBondContact O-NE2 2.97Å; D159-R169 IonicContact OD1-CZ 2.96Å; D159-R169 IonicContact OD1-NH1 3.96Å; D159-R169 IonicContact OD1-NH2 2.78Å; D159-R169 PolarHBondContact OD1-NH2 2.96Å; D159-R169 IonicContact OD2-CZ 2.67Å; D159-R169 VanDerWaalsContact OD2-CZ 3.24Å; D159-R169 IonicContact OD2-NH1 3.83Å; D159-R169 PolarHBondContact OD2-NH1 3.14Å; D159-R169 IonicContact OD2-NH2 3.3Å; D159-R169 PolarHBondContact OD2-NH2 2.86Å; D159-A289 CarbonylContact C-O 2.85Å; D159-A289 WeakPolarHBondContact CA-O 3.37Å; D159-A289 PolarHBondContact N-O 3.07Å
160L98.1Very high96Very high0 Ų054.4 Ų54.40%025%0.253CS..G310 helixtrans-59.9-20.5-167-60.9177.2000113.3D158 Q162 F163 A289 F294 W312 M323D158-L160 VanDerWaalsContact C-N 3.29Å; D158-L160 HydrophobicContact CB-CG 4.48Å; D158-L160 PolarHBondContact O-N 3.45Å; L160-Q162 PolarHBondContact O-N 2.7Å; L160-F163 HydrophobicContact CD2-CD2 4.38Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 VanDerWaalsContact O-CD2 3.31Å; L160-F163 WeakPolarHBondContact O-CD2 3.27Å; L160-F163 PolarHBondContact O-N 2.73Å; L160-A289 HydrophobicContact CB-CB 3.95Å; L160-A289 PolarHBondContact N-O 3.32Å; L160-F294 HydrophobicContact CD1-CB 3.98Å; L160-F294 HydrophobicContact CD1-CD2 3.64Å; L160-F294 HydrophobicContact CD1-CE2 4.5Å; L160-F294 HydrophobicContact CD1-CG 4.06Å; L160-W312 HydrophobicContact CB-CZ2 3.96Å; L160-W312 PolarHBondContact O-NE1 3.37Å; L160-M323 HydrophobicContact CD1-CG 4.13Å; L160-M323 HydrophobicContact CD1-SD 3.78Å; L160-M323 HydrophobicContact CD2-CG 4.35Å
161F98.2Very high95.9Very high7 Ų755.5 Ų55.53%0.03126%0.263CS..G310 helixtrans-64-16.6172.3-90.6-56.6000114.2D159 F163 A164 P170 L191 T193 A289 V297 T301 L308 W312D159-F161 PolarHBondContact O-N 2.63Å; F161-F163 PolarHBondContact O-N 3.02Å; F161-A164 HydrophobicContact CD1-CB 4.48Å; F161-A164 VanDerWaalsContact O-CB 3.28Å; F161-A164 WeakPolarHBondContact O-CB 3.19Å; F161-A164 PolarHBondContact O-N 3.08Å; F161-P170 HydrophobicContact CD1-CG 4.49Å; F161-P170 HydrophobicContact CE1-CG 4.31Å; F161-P170 HydrophobicContact CZ-CG 4.36Å; F161-L191 HydrophobicContact CZ-CD1 3.98Å; F161-T193 HydrophobicContact CD2-CG2 4.24Å; F161-T193 HydrophobicContact CE2-CG2 3.69Å; F161-A289 HydrophobicContact CD2-CB 3.84Å; F161-A289 HydrophobicContact CE2-CB 4.2Å; F161-V297 HydrophobicContact CE2-CG1 3.53Å; F161-V297 HydrophobicContact CZ-CG1 3.6Å; F161-T301 HydrophobicContact CE1-CG2 4.23Å; F161-T301 HydrophobicContact CZ-CG2 4.47Å; F161-L308 HydrophobicContact CE1-CD2 4.23Å; F161-W312 HydrophobicContact CD1-CD2 4.36Å; F161-W312 HydrophobicContact CD1-CE3 4.4Å; F161-W312 HydrophobicContact CD1-CH2 4.13Å; F161-W312 HydrophobicContact CD1-CZ2 4.06Å; F161-W312 HydrophobicContact CD1-CZ3 4.3Å; F161-W312 HydrophobicContact CE1-CD2 4.37Å; F161-W312 AromaticContact CE1-CE3 3.96Å; F161-W312 HydrophobicContact CE1-CE3 3.96Å; F161-W312 AromaticContact CE1-CH2 3.85Å; F161-W312 HydrophobicContact CE1-CH2 3.85Å; F161-W312 HydrophobicContact CE1-CZ2 4.24Å; F161-W312 AromaticContact CE1-CZ3 3.69Å; F161-W312 HydrophobicContact CE1-CZ3 3.69Å; F161-W312 HydrophobicContact CE2-CH2 4.45Å; F161-W312 HydrophobicContact CG-CZ2 4.36Å; F161-W312 HydrophobicContact CZ-CH2 4.03Å; F161-W312 HydrophobicContact CZ-CZ3 4.01Å
162Q97.4Very high95.9Very high83 Ų8352.1 Ų52.139%0.38825%0.246SC..G310 helixtrans-56.4-35.117273.9-171.5-53.300112.1D158 D159 L160 A164 G165D158-Q162 PolarHBondContact O-NE2 2.87Å; D159-Q162 WeakPolarHBondContact O-CB 2.94Å; D159-Q162 WeakPolarHBondContact O-CG 3.38Å; D159-Q162 PolarHBondContact O-N 3Å; D159-Q162 PolarHBondContact O-NE2 2.97Å; L160-Q162 PolarHBondContact O-N 2.7Å; Q162-A164 PolarHBondContact O-N 3.35Å; Q162-G165 VanDerWaalsContact O-CA 3.29Å; Q162-G165 WeakPolarHBondContact O-CA 3.4Å; Q162-G165 PolarHBondContact O-N 3.41Å
163F97.8Very high95.9Very high41 Ų4151.6 Ų51.618%0.1824%0.239CC..G310 helixtrans-68.9-15.5177.1-58.8-67.1000113.4L160 F161 G165 I315 L316 E319 R320L160-F163 HydrophobicContact CD2-CD2 4.38Å; L160-F163 HydrophobicContact CD2-CE2 4.02Å; L160-F163 VanDerWaalsContact O-CD2 3.31Å; L160-F163 WeakPolarHBondContact O-CD2 3.27Å; L160-F163 PolarHBondContact O-N 2.73Å; F161-F163 PolarHBondContact O-N 3.02Å; F163-G165 PolarHBondContact O-N 3.19Å; F163-I315 HydrophobicContact CB-CB 4.38Å; F163-I315 HydrophobicContact CB-CG2 3.98Å; F163-I315 HydrophobicContact CD1-CG2 4.15Å; F163-I315 WeakPolarHBondContact O-CB 3.35Å; F163-I315 WeakPolarHBondContact O-CG1 3.35Å; F163-L316 HydrophobicContact CB-CD2 3.93Å; F163-L316 HydrophobicContact CB-CG 4.43Å; F163-L316 HydrophobicContact CD2-CD2 3.65Å; F163-L316 HydrophobicContact CE2-CD2 4.47Å; F163-L316 HydrophobicContact CG-CD2 3.95Å; F163-E319 HydrophobicContact CD1-CB 3.8Å; F163-E319 HydrophobicContact CD1-CG 4.01Å; F163-E319 HydrophobicContact CE1-CB 3.6Å; F163-E319 HydrophobicContact CE1-CG 4.09Å; F163-E319 HydrophobicContact CZ-CB 4.45Å; F163-R320 HydrophobicContact CE2-CG 3.85Å; F163-R320 HydrophobicContact CZ-CG 3.9Å
164A96.8Very high96Very high0 Ų051.6 Ų51.60%024%0.238CC..G310 helixtrans-72.6-20.5166.700000112.2F161 Q162 R169 L308 K311 W312F161-A164 HydrophobicContact CD1-CB 4.48Å; F161-A164 VanDerWaalsContact O-CB 3.28Å; F161-A164 WeakPolarHBondContact O-CB 3.19Å; F161-A164 PolarHBondContact O-N 3.08Å; Q162-A164 PolarHBondContact O-N 3.35Å; A164-R169 HydrophobicContact CB-CB 4.38Å; A164-L308 HydrophobicContact CB-CD1 3.86Å; A164-K311 PolarHBondContact O-NZ 3.26Å; A164-W312 HydrophobicContact CB-CB 4.19Å; A164-W312 HydrophobicContact CB-CG 4.13Å
165G95.3Very high96.1Very high22 Ų2248.1 Ų48.123%0.22722%0.217CC..  trans88.2134.7177.800000113.3Q162 F163 K167 R168 R169Q162-G165 VanDerWaalsContact O-CA 3.29Å; Q162-G165 WeakPolarHBondContact O-CA 3.4Å; Q162-G165 PolarHBondContact O-N 3.41Å; F163-G165 PolarHBondContact O-N 3.19Å; G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 3.18Å; G165-R168 PolarHBondContact O-N 3.09Å; G165-R169 PolarHBondContact O-N 2.91Å
166E93.4Very high96.2Very high97 Ų9747 Ų4745%0.45321%0.213SC..THydrogen-bonded Turntrans-48.6-36.8-170.1-67-58.8107.400115.6R168 R169 Y172E166-R168 VanDerWaalsContact C-N 3.25Å; E166-R168 PolarHBondContact O-N 3.43Å; E166-R169 WeakPolarHBondContact OE1-CD 3.28Å; E166-R169 IonicContact OE1-CZ 2.77Å; E166-R169 IonicContact OE1-NE 3.61Å; E166-R169 IonicContact OE1-NH1 3.29Å; E166-R169 PolarHBondContact OE1-NH1 2.64Å; E166-Y172 PolarHBondContact OE2-OH 3.4Å
167K92.3Very high96.3Very high216 Ų21646.8 Ų46.894%0.93921%0.212SC*.THydrogen-bonded Turntrans-77.20.1177.9-64.8-173.4-179.8179.60115G165G165-K167 VanDerWaalsContact C-N 3.27Å; G165-K167 PolarHBondContact O-N 3.18Å
168R93.1Very high96.6Very high160 Ų16040.2 Ų40.260%0.60419%0.187SC*.THydrogen-bonded Turntrans-137.6-20.7-174.7-66.3-167.2-174.1-165.53.4115.1G165 E166 L308G165-R168 PolarHBondContact O-N 3.09Å; E166-R168 VanDerWaalsContact C-N 3.25Å; E166-R168 PolarHBondContact O-N 3.43Å; R168-L308 HydrophobicContact CB-CD1 4.41Å; R168-L308 VanDerWaalsContact O-CD1 3.28Å; R168-L308 WeakPolarHBondContact O-CD1 3.33Å
169R96.9Very high97Very high17 Ų1738.2 Ų38.26%0.06418%0.177CC..SBendtrans-58.1156.7170.465.6-177.2-63.3164.74.9110.9D159 A164 G165 E166 Y172D159-R169 IonicContact OD1-CZ 2.96Å; D159-R169 IonicContact OD1-NH1 3.96Å; D159-R169 IonicContact OD1-NH2 2.78Å; D159-R169 PolarHBondContact OD1-NH2 2.96Å; D159-R169 IonicContact OD2-CZ 2.67Å; D159-R169 VanDerWaalsContact OD2-CZ 3.24Å; D159-R169 IonicContact OD2-NH1 3.83Å; D159-R169 PolarHBondContact OD2-NH1 3.14Å; D159-R169 IonicContact OD2-NH2 3.3Å; D159-R169 PolarHBondContact OD2-NH2 2.86Å; A164-R169 HydrophobicContact CB-CB 4.38Å; G165-R169 PolarHBondContact O-N 2.91Å; E166-R169 WeakPolarHBondContact OE1-CD 3.28Å; E166-R169 IonicContact OE1-CZ 2.77Å; E166-R169 IonicContact OE1-NE 3.61Å; E166-R169 IonicContact OE1-NH1 3.29Å; E166-R169 PolarHBondContact OE1-NH1 2.64Å; R169-Y172 HydrophobicContact CG-CD1 4.31Å; R169-Y172 HydrophobicContact CG-CE1 4.36Å; R169-Y172 VanDerWaalsContact CZ-CE1 3.45Å; R169-Y172 VanDerWaalsContact CZ-CZ 3.5Å; R169-Y172 VanDerWaalsContact NH2-CD2 3.27Å; R169-Y172 VanDerWaalsContact NH2-CG 3.28Å
170P95.9Very high97.1Very high12 Ų1237.9 Ų37.98%0.07818%0.178CC..PPolyproline II helixtrans-60.5158.4169.9-13.727.6000111.2F161 Y172 L191 L308F161-P170 HydrophobicContact CD1-CG 4.49Å; F161-P170 HydrophobicContact CE1-CG 4.31Å; F161-P170 HydrophobicContact CZ-CG 4.36Å; P170-Y172 PolarHBondContact O-N 3.05Å; P170-L191 HydrophobicContact CG-CD1 3.98Å; P170-L308 HydrophobicContact CG-CD2 4.41Å
171P96.8Very high97.1Very high46 Ų4638.8 Ų38.830%0.29918%0.181SC..PPolyproline II helixtrans-47.1131.3153.2-23.934.6000109.8W174 S344P171-W174 HydrophobicContact CB-CZ2 3.87Å; P171-W174 WeakPolarHBondContact O-CH2 3.41Å; P171-S344 WeakPolarHBondContact CD-OG 3.44Å
172Y98.1Very high97.2Very high25 Ų2538.5 Ų38.510%0.09818%0.18CC..  trans-141.8-3.5-168.270.7-84.8000113.8E166 R169 P170 W174 Q286 N287E166-Y172 PolarHBondContact OE2-OH 3.4Å; R169-Y172 HydrophobicContact CG-CD1 4.31Å; R169-Y172 HydrophobicContact CG-CE1 4.36Å; R169-Y172 VanDerWaalsContact CZ-CE1 3.45Å; R169-Y172 VanDerWaalsContact CZ-CZ 3.5Å; R169-Y172 VanDerWaalsContact NH2-CD2 3.27Å; R169-Y172 VanDerWaalsContact NH2-CG 3.28Å; P170-Y172 PolarHBondContact O-N 3.05Å; Y172-W174 VanDerWaalsContact CA-CH2 3.49Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.5Å; Y172-Q286 CarbonylContact O-C 3.16Å; Y172-Q286 WeakPolarHBondContact O-CA 3.34Å; Y172-Q286 VanDerWaalsContact O-CB 3.28Å; Y172-Q286 WeakPolarHBondContact O-CB 3.13Å; Y172-N287 PolarHBondContact O-N 2.67Å
173R98.4Very high97.2Very high34 Ų3434.6 Ų34.613%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-148.6137.1-176.962.4-175.5179.4-159.4-7.3109.4S135 Y137 E139 T285 Q286S135-R173 WeakPolarHBondContact CA-O 3.35Å; S135-R173 WeakPolarHBondContact CB-O 3.27Å; Y137-R173 HydrophobicContact CE1-CG 4.01Å; Y137-R173 WeakPolarHBondContact OH-CD 3.38Å; Y137-R173 WeakPolarHBondContact OH-CG 3.17Å; E139-R173 IonicContact OE1-CZ 3.64Å; E139-R173 IonicContact OE1-NE 3.64Å; E139-R173 IonicContact OE1-NH2 2.73Å; E139-R173 PolarHBondContact OE1-NH2 3.34Å; R173-T285 WeakPolarHBondContact CA-O 3.15Å; R173-Q286 HydrophobicContact CB-CB 4.31Å; R173-Q286 HydrophobicContact CB-CG 3.55Å
174W98.8Very high97.2Very high7 Ų733.2 Ų33.23%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-137.2130.8-178.3-58.1-104.9000110.5F133 D134 P171 Y172 V176 I284 T285 N287 S344F133-W174 HydrophobicContact CD1-CB 4.25Å; F133-W174 AromaticContact CD1-CD1 3.25Å; F133-W174 AromaticContact CD1-CG 3.83Å; F133-W174 HydrophobicContact CD1-CG 3.83Å; F133-W174 AromaticContact CD1-NE1 3.82Å; F133-W174 HydrophobicContact CE1-CB 4.11Å; F133-W174 AromaticContact CE1-CD1 3.24Å; F133-W174 AromaticContact CE1-CD2 3.94Å; F133-W174 HydrophobicContact CE1-CD2 3.94Å; F133-W174 AromaticContact CE1-CG 3.52Å; F133-W174 HydrophobicContact CE1-CG 3.52Å; F133-W174 AromaticContact CE1-NE1 3.53Å; F133-W174 HydrophobicContact CZ-CB 4.35Å; F133-W174 HydrophobicContact CZ-CD2 4.42Å; F133-W174 HydrophobicContact CZ-CG 4.1Å; D134-W174 WeakPolarHBondContact O-CA 3.22Å; P171-W174 HydrophobicContact CB-CZ2 3.87Å; P171-W174 WeakPolarHBondContact O-CH2 3.41Å; Y172-W174 VanDerWaalsContact CA-CH2 3.49Å; Y172-W174 WeakPolarHBondContact O-CZ3 3.5Å; W174-V176 HydrophobicContact CB-CG2 3.89Å; W174-I284 WeakPolarHBondContact O-CD1 3.42Å; W174-T285 HydrophobicContact CB-CG2 4.15Å; W174-T285 HydrophobicContact CE3-CG2 4.06Å; W174-T285 PolarHBondContact N-O 3.39Å; W174-T285 PolarHBondContact O-N 2.78Å; W174-N287 HydrophobicContact CH2-CB 4.28Å; W174-N287 HydrophobicContact CZ3-CB 4.13Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.41Å; W174-S344 VanDerWaalsContact CZ2-O 3.28Å; W174-S344 WeakPolarHBondContact CZ2-O 3.43Å
175F98.9Very high97.3Very high1 Ų133.7 Ų33.70%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-80.6121.5161.4174.9-94000108.3W85 L90 F99 M114 I132 D134 Y137 L146 M177 I282 I284W85-F175 HydrophobicContact CD2-CE2 4.16Å; W85-F175 HydrophobicContact CE3-CE2 4.03Å; W85-F175 HydrophobicContact CH2-CD2 4.18Å; W85-F175 HydrophobicContact CH2-CE2 4.4Å; W85-F175 HydrophobicContact CZ2-CD2 4.45Å; W85-F175 HydrophobicContact CZ3-CD2 4.23Å; W85-F175 HydrophobicContact CZ3-CE2 4.16Å; L90-F175 HydrophobicContact CD1-CZ 4.08Å; F99-F175 HydrophobicContact CD1-CD1 4.2Å; F99-F175 HydrophobicContact CE1-CD1 4.14Å; M114-F175 HydrophobicContact CE-CE1 4.34Å; I132-F175 HydrophobicContact CG2-CD1 3.91Å; I132-F175 HydrophobicContact CG2-CE1 4.17Å; D134-F175 PolarHBondContact N-O 3.47Å; D134-F175 PolarHBondContact O-N 2.8Å; Y137-F175 HydrophobicContact CD1-CB 4.07Å; Y137-F175 HydrophobicContact CE1-CB 4.3Å; Y137-F175 HydrophobicContact CG-CB 4.4Å; L146-F175 HydrophobicContact CD1-CB 4.24Å; L146-F175 HydrophobicContact CD1-CD1 4.42Å; L146-F175 HydrophobicContact CD1-CD2 3.88Å; L146-F175 HydrophobicContact CD1-CE2 4.39Å; L146-F175 HydrophobicContact CD1-CG 3.9Å; L146-F175 HydrophobicContact CD2-CD2 4.37Å; L146-F175 HydrophobicContact CD2-CE2 4.27Å; F175-M177 HydrophobicContact CE1-CB 3.81Å; F175-M177 HydrophobicContact CE1-SD 4.11Å; F175-M177 HydrophobicContact CZ-CB 4.16Å; F175-M177 HydrophobicContact CZ-SD 4.22Å; F175-I282 HydrophobicContact CE2-CG2 3.78Å; F175-I282 HydrophobicContact CZ-CG2 3.81Å; F175-I284 HydrophobicContact CB-CD1 4.46Å
176V98.8Very high97.4Very high1 Ų132.9 Ų32.91%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-121.7129.8-168.7-177.20000110Y131 I132 F133 W174 A283 T285Y131-V176 HydrophobicContact CD2-CG1 4.49Å; Y131-V176 HydrophobicContact CE1-CG1 4.14Å; Y131-V176 HydrophobicContact CE2-CG1 3.53Å; Y131-V176 WeakPolarHBondContact OH-CG1 3.43Å; I132-V176 WeakPolarHBondContact O-CA 3.37Å; F133-V176 HydrophobicContact CD2-CB 4.41Å; F133-V176 HydrophobicContact CD2-CG1 3.97Å; F133-V176 HydrophobicContact CD2-CG2 3.64Å; F133-V176 HydrophobicContact CE2-CG1 4.29Å; F133-V176 HydrophobicContact CE2-CG2 3.67Å; F133-V176 HydrophobicContact CG-CG2 4.43Å; F133-V176 HydrophobicContact CZ-CG2 4.48Å; W174-V176 HydrophobicContact CB-CG2 3.89Å; V176-A283 HydrophobicContact CB-CB 4.45Å; V176-A283 PolarHBondContact N-O 2.71Å; V176-A283 PolarHBondContact O-N 2.91Å; V176-T285 HydrophobicContact CG2-CG2 3.94Å
177M98.8Very high97.7Very high0 Ų029.6 Ų29.60%014%0.136CC..EExtended strand (participates in β ladder)trans-155.6125-174174.1-178.5-17000111.3M87 L90 M114 Y117 V118 L121 Y131 I132 F175 T281 I282M87-M177 HydrophobicContact CE-CE 3.98Å; M87-M177 HydrophobicContact SD-CE 3.29Å; M87-M177 WeakPolarHBondContact SD-CE 3.06Å; L90-M177 HydrophobicContact CD1-CE 4.3Å; L90-M177 HydrophobicContact CD1-SD 4.22Å; M114-M177 HydrophobicContact CE-SD 3.82Å; M114-M177 HydrophobicContact SD-CE 4.28Å; M114-M177 HydrophobicContact SD-SD 3.99Å; Y117-M177 HydrophobicContact CE1-CG 4.13Å; Y117-M177 HydrophobicContact CE1-SD 4.44Å; Y117-M177 PolarHBondContact OH-O 2.87Å; V118-M177 HydrophobicContact CG2-CE 4.13Å; L121-M177 HydrophobicContact CD1-CE 4.37Å; Y131-M177 WeakPolarHBondContact CD2-O 3.31Å; I132-M177 HydrophobicContact CB-CB 4.14Å; I132-M177 WeakPolarHBondContact CB-O 3.16Å; I132-M177 HydrophobicContact CG2-CB 4.24Å; I132-M177 PolarHBondContact N-O 2.84Å; I132-M177 PolarHBondContact O-N 3.17Å; F175-M177 HydrophobicContact CE1-CB 3.81Å; F175-M177 HydrophobicContact CE1-SD 4.11Å; F175-M177 HydrophobicContact CZ-CB 4.16Å; F175-M177 HydrophobicContact CZ-SD 4.22Å; M177-T281 WeakPolarHBondContact CA-O 3.4Å; M177-I282 HydrophobicContact CE-CD1 4.39Å; M177-I282 HydrophobicContact CE-CG1 4.47Å; M177-I282 HydrophobicContact CG-CG1 4.07Å
178G98.6Very high97.9Very high0 Ų019.3 Ų19.30%09%0.092CC..EExtended strand (participates in β ladder)trans-157157.1-175.900000115.2T280 T281G178-T280 CarbonylContact O-C 3.4Å; G178-T280 WeakPolarHBondContact O-CA 3.38Å; G178-T281 PolarHBondContact N-O 3.05Å; G178-T281 VanDerWaalsContact N-O 3.07Å; G178-T281 PolarHBondContact O-N 3.45Å
179P98.6Very high98.2Very high8 Ų812 Ų125%0.0527%0.065CC..  trans-67.1177.2165.830.9-34.8000111.4L121 T124 P129 S182 N277 D279L121-P179 HydrophobicContact CD2-CB 4.44Å; L121-P179 HydrophobicContact CG-CB 3.93Å; L121-P179 HydrophobicContact CG-CG 4.41Å; T124-P179 HydrophobicContact CG2-CB 4.23Å; T124-P179 HydrophobicContact CG2-CG 4.06Å; P129-P179 HydrophobicContact CB-CG 3.42Å; P129-P179 VanDerWaalsContact CB-CG 3.42Å; P129-P179 HydrophobicContact CG-CG 3.7Å; P179-S182 PolarHBondContact O-OG 3.37Å; P179-N277 WeakPolarHBondContact O-CB 3.44Å; P179-N277 PolarHBondContact O-ND2 3.17Å; P179-D279 CarbonylContact C-O 3.48Å
180A98.3Very high98.1Very high19 Ų1911.9 Ų11.916%0.1577%0.066CC..THydrogen-bonded Turntrans-51.9156.3161.200000111.3S182 N277 M278 D279A180-S182 PolarHBondContact O-N 3.06Å; A180-N277 CarbonylContact C-O 3.57Å; A180-N277 WeakPolarHBondContact CA-O 3.34Å; A180-M278 VanDerWaalsContact CB-O 3.25Å; A180-M278 WeakPolarHBondContact CB-O 3.05Å; A180-D279 PolarHBondContact N-O 2.91Å
181R98.5Very high98.1Very high19 Ų1912.3 Ų12.37%0.0727%0.068CC..THydrogen-bonded Turntrans66.6-21.8-178.8-51.6-175.8-59.1-84.3-2.3116.2Y31 V37 T124 Q125 D126 D127 I233 L276 N277Y31-R181 WeakPolarHBondContact O-CD 3.42Å; V37-R181 HydrophobicContact CG1-CG 4.09Å; T124-R181 PolarHBondContact O-NH2 2.91Å; Q125-R181 VanDerWaalsContact C-NH2 3.28Å; D126-R181 VanDerWaalsContact O-CZ 3.3Å; D126-R181 PolarHBondContact O-NE 2.86Å; D126-R181 PolarHBondContact O-NH2 3.2Å; D127-R181 WeakPolarHBondContact O-CB 3.14Å; R181-I233 HydrophobicContact CB-CD1 3.69Å; R181-I233 HydrophobicContact CG-CD1 3.68Å; R181-L276 VanDerWaalsContact O-CD1 3.27Å; R181-L276 WeakPolarHBondContact O-CD1 3.36Å; R181-N277 PolarHBondContact N-O 2.76Å
182S98.8Very high98.1Very high0 Ų010.1 Ų10.10%05%0.054CC..  trans-72.4154.3173.6970000110.3P129 Y131 P179 A180 N277P129-S182 WeakPolarHBondContact O-CB 3.37Å; Y131-S182 VanDerWaalsContact CD2-OG 3.23Å; Y131-S182 WeakPolarHBondContact CD2-OG 3.44Å; P179-S182 PolarHBondContact O-OG 3.37Å; A180-S182 PolarHBondContact O-N 3.06Å; S182-N277 WeakPolarHBondContact O-CB 3.42Å; S182-N277 PolarHBondContact O-N 2.72Å; S182-N277 PolarHBondContact O-ND2 2.71Å; S182-N277 VanDerWaalsContact O-ND2 3.15Å; S182-N277 PolarHBondContact OG-ND2 3.03Å
183G98.4Very high98.1Very high1 Ų19.2 Ų9.21%0.015%0.051CC..EExtended strand (participates in β ladder)trans179.4-165.9-175.600000113.8Y131 V275 S348Y131-G183 WeakPolarHBondContact CD1-O 3.47Å; G183-V275 CarbonylContact C-O 3.59Å; G183-V275 WeakPolarHBondContact CA-O 3.44Å; G183-S348 PolarHBondContact O-OG 3.1Å
184T98.4Very high98.1Very high13 Ų137.7 Ų7.78%0.085%0.045CC..EExtended strand (participates in β ladder)trans-127.6126.2175.3-53.50000108.4H187 V275T184-H187 VanDerWaalsContact CG2-CE1 3.49Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.34Å; T184-V275 PolarHBondContact N-O 2.79Å; T184-V275 PolarHBondContact O-N 3.21Å
185G98.3Very high98.1Very high9 Ų97.5 Ų7.59%0.0935%0.045CC..EExtended strand (participates in β ladder)trans-62.8174.8179.400000113.7H187 D230G185-H187 PolarHBondContact O-N 2.76Å; G185-H187 PolarHBondContact O-ND1 2.9Å; G185-D230 VanDerWaalsContact CA-O 3.29Å; G185-D230 WeakPolarHBondContact CA-O 3.43Å
186I98.5Very high98.1Very high6 Ų67.5 Ų7.53%0.0315%0.045CC..EExtended strand (participates in β ladder)trans-68.6121.5-176.4-160.6165.5000111.7F209 I218 K219 W235 W272 H273 V274I186-F209 HydrophobicContact CD1-CD2 3.85Å; I186-F209 HydrophobicContact CD1-CE2 3.86Å; I186-I218 HydrophobicContact CD1-CB 4.03Å; I186-I218 HydrophobicContact CD1-CD1 3.95Å; I186-I218 HydrophobicContact CD1-CG1 4.23Å; I186-K219 HydrophobicContact CG2-CD 3.75Å; I186-K219 HydrophobicContact CG2-CG 4.45Å; I186-K219 WeakPolarHBondContact O-CE 3.27Å; I186-K219 PolarHBondContact O-NZ 3.21Å; I186-W235 HydrophobicContact CD1-CZ2 4Å; I186-W272 HydrophobicContact CD1-CB 4.27Å; I186-W272 HydrophobicContact CG1-CB 4.18Å; I186-W272 HydrophobicContact CG1-CE3 4.19Å; I186-H273 WeakPolarHBondContact CA-O 3.39Å; I186-V274 HydrophobicContact CB-CB 3.9Å; I186-V274 HydrophobicContact CB-CG2 4.48Å; I186-V274 HydrophobicContact CG1-CB 4.2Å
187H98.2Very high98.1Very high27 Ų278.2 Ų8.213%0.1255%0.049CC..EExtended strand (participates in β ladder)trans-152.1170.9-173.772-55.4000111.5T184 G185 W272 H273 D341 S346T184-H187 VanDerWaalsContact CG2-CE1 3.49Å; T184-H187 WeakPolarHBondContact CG2-CE1 3.34Å; G185-H187 PolarHBondContact O-N 2.76Å; G185-H187 PolarHBondContact O-ND1 2.9Å; H187-W272 CarbonylContact O-C 3.51Å; H187-W272 WeakPolarHBondContact O-CA 3.17Å; H187-H273 AromaticContact CE1-CD2 3.72Å; H187-H273 AromaticContact CE1-CE1 3.7Å; H187-H273 AromaticContact CE1-NE2 3.2Å; H187-H273 PolarHBondContact CE1-NE2 2.95Å; H187-H273 PolarHBondContact N-O 3.01Å; H187-H273 VanDerWaalsContact N-O 3.09Å; H187-H273 AromaticContact ND1-NE2 3.91Å; H187-H273 PolarHBondContact ND1-O 2.76Å; H187-H273 AromaticContact NE2-NE2 3.73Å; H187-H273 PolarHBondContact O-N 2.91Å; H187-D341 WeakPolarHBondContact CB-OD2 3.14Å; H187-S346 PolarHBondContact NE2-OG 3.13Å
188I97.9Very high98.1Very high1 Ų18.2 Ų8.21%0.0055%0.049CC..  trans-124.1133170.5-58.8173.1000109.2W272 A339 D341I188-W272 HydrophobicContact CD1-CD2 3.63Å; I188-W272 HydrophobicContact CD1-CE3 4.08Å; I188-W272 HydrophobicContact CD1-CG 3.95Å; I188-W272 HydrophobicContact CD1-CH2 4.34Å; I188-W272 HydrophobicContact CD1-CZ2 3.95Å; I188-W272 HydrophobicContact CD1-CZ3 4.4Å; I188-W272 HydrophobicContact CG1-CB 4.36Å; I188-W272 HydrophobicContact CG1-CD2 3.56Å; I188-W272 HydrophobicContact CG1-CE3 3.63Å; I188-W272 HydrophobicContact CG1-CG 3.87Å; I188-W272 HydrophobicContact CG1-CZ3 4.12Å; I188-A339 HydrophobicContact CD1-CB 3.47Å; I188-A339 VanDerWaalsContact CD1-CB 3.47Å; I188-D341 PolarHBondContact N-OD2 2.75Å; I188-D341 WeakPolarHBondContact O-CB 3.25Å; I188-D341 PolarHBondContact O-N 3.41Å; I188-D341 VanDerWaalsContact O-N 3.14Å
189D97.6Very high98.2Very high7 Ų78.2 Ų8.24%0.0375%0.049CC..  trans-48.1138.4179.6-80.2-55.2000114.2T193 A195 H273 N287 S340D189-T193 WeakPolarHBondContact CB-O 3.38Å; D189-A195 WeakPolarHBondContact OD2-CB 3.23Å; D189-H273 IonicContact OD2-CE1 3.79Å; D189-H273 PolarHBondContact OD2-CE1 3.37Å; D189-N287 PolarHBondContact OD1-ND2 3.45Å; D189-S340 PolarHBondContact O-OG 2.98Å
190P95.5Very high98.2Very high13 Ų138.1 Ų8.18%0.0845%0.048CC..G310 helixtrans-72.6155.3-169.429.6-38.7000113.3G192 T193 S340 D341 S343P190-G192 PolarHBondContact O-N 3.05Å; P190-T193 PolarHBondContact O-N 3.13Å; P190-T193 PolarHBondContact O-OG1 3.26Å; P190-S340 VanDerWaalsContact C-OG 3.23Å; P190-S340 WeakPolarHBondContact CA-OG 3.22Å; P190-D341 WeakPolarHBondContact CA-O 3.5Å; P190-S343 WeakPolarHBondContact CB-O 3.4Å
191L96.2Very high98.2Very high21 Ų2110.4 Ų10.411%0.116%0.055CC..G310 helixtrans52.723.3-179.6-53.8176.6000114F161 P170 T193 V297 R305 S340F161-L191 HydrophobicContact CZ-CD1 3.98Å; P170-L191 HydrophobicContact CG-CD1 3.98Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 2.75Å; L191-V297 VanDerWaalsContact O-CA 3.3Å; L191-V297 WeakPolarHBondContact O-CA 3.4Å; L191-R305 HydrophobicContact CD2-CG 4.28Å; L191-S340 PolarHBondContact N-OG 3.27Å
192G96.5Very high98.2Very high1 Ų19.9 Ų9.91%0.016%0.056CC..G310 helixtrans68.818.2-176.800000114.7P190 V297 S340P190-G192 PolarHBondContact O-N 3.05Å; G192-V297 WeakPolarHBondContact O-CG2 3.33Å; G192-S340 PolarHBondContact N-OG 3Å
193T98.5Very high98.2Very high6 Ų612.1 Ų12.14%0.0377%0.067CC..  trans-64.7152.2174.951.60000111.5F161 D189 P190 L191 G269 N287 V297F161-T193 HydrophobicContact CD2-CG2 4.24Å; F161-T193 HydrophobicContact CE2-CG2 3.69Å; D189-T193 WeakPolarHBondContact CB-O 3.38Å; P190-T193 PolarHBondContact O-N 3.13Å; P190-T193 PolarHBondContact O-OG1 3.26Å; L191-T193 VanDerWaalsContact C-N 3.25Å; L191-T193 PolarHBondContact O-N 2.75Å; T193-G269 WeakPolarHBondContact O-CA 3.46Å; T193-N287 PolarHBondContact OG1-ND2 2.62Å; T193-N287 VanDerWaalsContact OG1-ND2 3.1Å; T193-V297 HydrophobicContact CG2-CG1 4.46Å; T193-V297 HydrophobicContact CG2-CG2 4.36Å
194S98.8Very high98.2Very high1 Ų112.1 Ų12.11%0.0077%0.066CC..EExtended strand (participates in β ladder)trans-93.1158163.6-54.80000108.7V267 G269 N287 F288 N293S194-V267 CarbonylContact C-O 3.5Å; S194-V267 WeakPolarHBondContact CA-O 3.23Å; S194-V267 WeakPolarHBondContact CB-O 3.13Å; S194-G269 PolarHBondContact OG-N 3.44Å; S194-G269 VanDerWaalsContact OG-N 3.11Å; S194-N287 CarbonylContact O-C 3.52Å; S194-N287 WeakPolarHBondContact O-CA 3.26Å; S194-F288 PolarHBondContact N-O 3.32Å; S194-F288 WeakPolarHBondContact O-CD1 3.2Å; S194-F288 PolarHBondContact O-N 2.91Å; S194-N293 PolarHBondContact N-ND2 2.97Å; S194-N293 VanDerWaalsContact N-ND2 3.19Å; S194-N293 PolarHBondContact OG-ND2 2.85Å
195A98.8Very high98.2Very high3 Ų312 Ų123%0.0256%0.064CC..EExtended strand (participates in β ladder)trans-128.9160.8178.700000112.9D189 V267 Q286D189-A195 WeakPolarHBondContact OD2-CB 3.23Å; A195-V267 HydrophobicContact CB-CB 4.36Å; A195-V267 PolarHBondContact N-O 3.39Å; A195-V267 PolarHBondContact O-N 3.23Å; A195-Q286 CarbonylContact C-O 3.55Å; A195-Q286 VanDerWaalsContact CA-O 3.27Å; A195-Q286 WeakPolarHBondContact CA-O 3.39Å
196W98.9Very high98.3Very high2 Ų211.7 Ų11.71%0.0086%0.06CC..EExtended strand (participates in β ladder)trans-133.3135.1166.260.6-94.3000110.4W79 Y150 V152 F156 A198 T264 V265 I284 T285 Q286 F288W79-W196 HydrophobicContact CH2-CH2 4.44Å; W79-W196 HydrophobicContact CH2-CZ3 4.02Å; Y150-W196 HydrophobicContact CD2-CH2 4.45Å; Y150-W196 HydrophobicContact CE2-CH2 4.22Å; V152-W196 HydrophobicContact CB-CZ2 4.37Å; V152-W196 HydrophobicContact CG1-CZ2 3.94Å; V152-W196 HydrophobicContact CG2-CZ2 4.18Å; F156-W196 VanDerWaalsContact CB-CD1 3.47Å; F156-W196 HydrophobicContact CB-CG 4.39Å; F156-W196 AromaticContact CD1-CD1 3.95Å; F156-W196 HydrophobicContact CD1-CG 4.46Å; F156-W196 HydrophobicContact CD2-CB 3.75Å; F156-W196 AromaticContact CD2-CD1 3.26Å; F156-W196 AromaticContact CD2-CD2 3.83Å; F156-W196 HydrophobicContact CD2-CD2 3.83Å; F156-W196 AromaticContact CD2-CG 3.33Å; F156-W196 HydrophobicContact CD2-CG 3.33Å; F156-W196 AromaticContact CD2-NE1 3.65Å; F156-W196 HydrophobicContact CE1-CB 4.25Å; F156-W196 HydrophobicContact CE2-CB 3.45Å; F156-W196 VanDerWaalsContact CE2-CB 3.45Å; F156-W196 AromaticContact CE2-CD1 3.93Å; F156-W196 HydrophobicContact CE2-CD2 4.22Å; F156-W196 AromaticContact CE2-CG 3.59Å; F156-W196 HydrophobicContact CE2-CG 3.59Å; F156-W196 HydrophobicContact CG-CB 4.28Å; F156-W196 AromaticContact CG-CD1 3.27Å; F156-W196 AromaticContact CG-CG 3.82Å; F156-W196 HydrophobicContact CG-CG 3.82Å; F156-W196 AromaticContact CG-NE1 3.71Å; F156-W196 HydrophobicContact CZ-CB 3.72Å; F156-W196 HydrophobicContact CZ-CG 4.25Å; W196-A198 HydrophobicContact CE3-CB 4.09Å; W196-A198 HydrophobicContact CZ3-CB 3.85Å; W196-T264 HydrophobicContact CB-CG2 4.3Å; W196-T264 HydrophobicContact CE3-CG2 4.21Å; W196-V265 CarbonylContact C-O 3.55Å; W196-V265 VanDerWaalsContact CA-O 3.29Å; W196-V265 WeakPolarHBondContact CA-O 3.41Å; W196-I284 HydrophobicContact CZ3-CG2 4.12Å; W196-T285 CarbonylContact O-C 3.6Å; W196-T285 VanDerWaalsContact O-CA 3.25Å; W196-T285 WeakPolarHBondContact O-CA 3.41Å; W196-T285 PolarHBondContact O-OG1 3Å; W196-T285 VanDerWaalsContact O-OG1 3.09Å; W196-Q286 HydrophobicContact CD2-CB 4.47Å; W196-Q286 HydrophobicContact CH2-CG 3.98Å; W196-Q286 HydrophobicContact CZ2-CB 3.87Å; W196-Q286 HydrophobicContact CZ2-CG 3.58Å; W196-Q286 PolarHBondContact N-O 3.05Å; W196-Q286 PolarHBondContact O-N 2.66Å; W196-F288 AromaticContact CD1-CD1 3.78Å; W196-F288 AromaticContact CD1-CE1 3.95Å
197N98.9Very high98.3Very high16 Ų1611.4 Ų11.49%0.0866%0.059CC..EExtended strand (participates in β ladder)trans-124.1107.1-175.8-167.4-41.5000110.1W206 Q259 T264 V265N197-W206 HydrophobicContact CB-CH2 3.71Å; N197-W206 HydrophobicContact CB-CZ2 3.86Å; N197-Q259 PolarHBondContact O-NE2 2.93Å; N197-T264 WeakPolarHBondContact O-CA 3.29Å; N197-V265 PolarHBondContact N-O 3.08Å; N197-V265 PolarHBondContact O-N 2.87Å
198A98.9Very high98.3Very high0 Ų010.1 Ų10.10%05%0.053CC..EExtended strand (participates in β ladder)trans-98.5113.1-177.900000110.7Q76 W79 W196 T264 A283 I284Q76-A198 HydrophobicContact CG-CB 4.38Å; W79-A198 HydrophobicContact CH2-CB 3.39Å; W79-A198 HydrophobicContact CZ2-CB 4.45Å; W79-A198 HydrophobicContact CZ3-CB 3.7Å; W196-A198 HydrophobicContact CE3-CB 4.09Å; W196-A198 HydrophobicContact CZ3-CB 3.85Å; A198-T264 HydrophobicContact CB-CG2 4.08Å; A198-T264 WeakPolarHBondContact CB-OG1 3.43Å; A198-A283 VanDerWaalsContact O-CA 3.3Å; A198-A283 WeakPolarHBondContact O-CA 3.39Å; A198-A283 WeakPolarHBondContact O-CB 3.5Å; A198-I284 HydrophobicContact CB-CG2 4Å; A198-I284 PolarHBondContact N-O 3.1Å; A198-I284 PolarHBondContact O-N 2.9Å
199L98.9Very high98.3Very high0 Ų010.1 Ų10.10%05%0.053CC..EExtended strand (participates in β ladder)trans-89.8122.4-178.9-174.154.3000110.3Q76 Q201 G202 K204 Q259 G262 E263 T281 A283Q76-L199 PolarHBondContact NE2-O 3.43Å; Q76-L199 PolarHBondContact OE1-O 2.97Å; L199-Q201 WeakPolarHBondContact CD1-O 3.41Å; L199-G202 VanDerWaalsContact CD2-O 3.27Å; L199-G202 WeakPolarHBondContact CD2-O 3.46Å; L199-K204 HydrophobicContact CD1-CD 4.08Å; L199-K204 HydrophobicContact CD1-CG 4.22Å; L199-K204 HydrophobicContact CD2-CB 4.22Å; L199-K204 HydrophobicContact CD2-CD 4.32Å; L199-K204 HydrophobicContact CD2-CG 3.97Å; L199-Q259 HydrophobicContact CB-CG 4.05Å; L199-Q259 HydrophobicContact CD2-CB 4.09Å; L199-Q259 HydrophobicContact CD2-CG 3.74Å; L199-Q259 VanDerWaalsContact CD2-O 3.27Å; L199-Q259 WeakPolarHBondContact CD2-O 3.18Å; L199-G262 PolarHBondContact O-N 3.34Å; L199-E263 PolarHBondContact N-O 2.98Å; L199-E263 VanDerWaalsContact N-O 3.07Å; L199-T281 HydrophobicContact CD1-CG2 4.47Å; L199-A283 HydrophobicContact CD1-CB 4.02Å
200V98.8Very high98.3Very high6 Ų610.9 Ų10.94%0.0366%0.058CC..EExtended strand (participates in β ladder)trans-103.2-33.5-175.6-175.40000111.6W79 A81 W85 I282W79-V200 HydrophobicContact CE3-CG2 4.3Å; W79-V200 HydrophobicContact CZ3-CG2 4.23Å; A81-V200 HydrophobicContact CB-CG1 3.95Å; A81-V200 HydrophobicContact CB-CG2 4.26Å; W85-V200 HydrophobicContact CB-CG1 4.38Å; W85-V200 HydrophobicContact CE3-CB 4.18Å; W85-V200 HydrophobicContact CE3-CG1 4.35Å; W85-V200 HydrophobicContact CE3-CG2 3.77Å; W85-V200 HydrophobicContact CZ3-CG2 3.9Å; V200-I282 PolarHBondContact N-O 3.22Å
201Q98.8Very high98.4Very high66 Ų6612 Ų1231%0.3087%0.065SC..EExtended strand (participates in β ladder)trans-142.2146.7177.2-64.9-66.8-28.400109.5R82 W85 L199 T281 I282R82-Q201 PolarHBondContact O-NE2 3.35Å; W85-Q201 WeakPolarHBondContact O-CG 3.5Å; L199-Q201 WeakPolarHBondContact CD1-O 3.41Å; Q201-T281 CarbonylContact O-C 3.59Å; Q201-T281 VanDerWaalsContact O-CA 3.27Å; Q201-T281 WeakPolarHBondContact O-CA 3.31Å; Q201-I282 HydrophobicContact CB-CB 4.1Å; Q201-I282 HydrophobicContact CB-CD1 4.27Å; Q201-I282 HydrophobicContact CB-CG1 4.3Å; Q201-I282 HydrophobicContact CG-CD1 4.25Å; Q201-I282 PolarHBondContact N-O 3.02Å; Q201-I282 VanDerWaalsContact N-O 3.12Å; Q201-I282 PolarHBondContact O-N 3.12Å
202G98.6Very high98.3Very high8 Ų817 Ų178%0.0829%0.087CC..SBendtrans77.3-169.8178.800000114.7L199 P261 D279L199-G202 VanDerWaalsContact CD2-O 3.27Å; L199-G202 WeakPolarHBondContact CD2-O 3.46Å; G202-P261 WeakPolarHBondContact O-CD 3.48Å; G202-P261 WeakPolarHBondContact O-CG 3.39Å; G202-D279 VanDerWaalsContact C-OD1 3.32Å; G202-D279 WeakPolarHBondContact CA-OD1 3.35Å; G202-D279 WeakPolarHBondContact CA-OD2 3.22Å
203H98.8Very high98.4Very high48 Ų4817.2 Ų17.222%0.2229%0.089CC..  trans-131138.5-173.5-57.778.9000111.7H39 L258 Q259 M278 D279 T281H39-H203 AromaticContact CE1-CD2 3.78Å; H39-H203 AromaticContact CE1-CE1 3.61Å; H39-H203 AromaticContact CE1-CG 3.32Å; H39-H203 AromaticContact CE1-ND1 3.2Å; H39-H203 PolarHBondContact CE1-ND1 2.95Å; H39-H203 AromaticContact CE1-NE2 3.95Å; H39-H203 AromaticContact ND1-CD2 3.9Å; H39-H203 AromaticContact ND1-CG 3.88Å; H39-H203 AromaticContact NE2-CG 3.76Å; H39-H203 AromaticContact NE2-ND1 3.86Å; H203-L258 HydrophobicContact CB-CD1 4.36Å; H203-Q259 VanDerWaalsContact CA-O 3.3Å; H203-Q259 WeakPolarHBondContact CA-O 3.32Å; H203-M278 HydrophobicContact CB-CB 4.36Å; H203-M278 PolarHBondContact O-N 2.87Å; H203-D279 IonicContact CE1-OD2 3.01Å; H203-D279 IonicContact CG-OD2 3.01Å; H203-D279 PolarHBondContact N-OD1 3.27Å; H203-D279 PolarHBondContact N-OD2 2.86Å; H203-D279 IonicContact ND1-OD2 3.19Å; H203-D279 PolarHBondContact ND1-OD2 3.07Å; H203-T281 VanDerWaalsContact O-CG2 3.27Å; H203-T281 WeakPolarHBondContact O-CG2 3.16Å
204K98.9Very high98.3Very high0 Ų019 Ų190%010%0.1CC..EExtended strand (participates in β ladder)trans-121.3129177.9-67.9179.3-176.5-66.90110.8Y131 L199 Q259 V275 L276 N277 T281Y131-K204 PolarHBondContact OH-NZ 2.88Å; L199-K204 HydrophobicContact CD1-CD 4.08Å; L199-K204 HydrophobicContact CD1-CG 4.22Å; L199-K204 HydrophobicContact CD2-CB 4.22Å; L199-K204 HydrophobicContact CD2-CD 4.32Å; L199-K204 HydrophobicContact CD2-CG 3.97Å; K204-Q259 HydrophobicContact CB-CB 4.26Å; K204-Q259 PolarHBondContact N-O 3.34Å; K204-Q259 PolarHBondContact O-N 3.08Å; K204-V275 HydrophobicContact CB-CG1 4.02Å; K204-V275 HydrophobicContact CD-CG1 3.99Å; K204-V275 HydrophobicContact CG-CG1 4.28Å; K204-L276 CarbonylContact C-O 3.57Å; K204-L276 WeakPolarHBondContact CA-O 3.42Å; K204-N277 PolarHBondContact NZ-OD1 2.98Å; K204-T281 HydrophobicContact CG-CG2 3.89Å; K204-T281 PolarHBondContact NZ-OG1 2.87Å
205R98.8Very high98.2Very high12 Ų1226.1 Ų26.15%0.04513%0.127CC..EExtended strand (participates in β ladder)trans-90.8129.4169.1-177.1-178.8-166.314912.8109.3S41 V42 F236 Y240 E256 I257 V275 L276 M278S41-R205 PolarHBondContact O-NH2 3.18Å; V42-R205 HydrophobicContact CG1-CG 3.9Å; V42-R205 HydrophobicContact CG2-CG 4.34Å; R205-F236 HydrophobicContact CB-CZ 4.45Å; R205-F236 HydrophobicContact CG-CE1 3.83Å; R205-F236 HydrophobicContact CG-CZ 3.81Å; R205-Y240 PolarHBondContact NH2-OH 2.96Å; R205-E256 IonicContact NH2-OE2 3.39Å; R205-I257 CarbonylContact C-O 3.6Å; R205-I257 WeakPolarHBondContact CA-O 3.5Å; R205-V275 WeakPolarHBondContact O-CA 3.36Å; R205-L276 HydrophobicContact CB-CB 4.48Å; R205-L276 PolarHBondContact N-O 2.95Å; R205-L276 PolarHBondContact O-N 2.88Å; R205-M278 HydrophobicContact CB-CG 4.12Å; R205-M278 HydrophobicContact CB-SD 3.58Å; R205-M278 VanDerWaalsContact CB-SD 3.58Å
206W98.9Very high98Very high2 Ų233.5 Ų33.51%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-118.2145.4177.6-59.870.4000110.8N197 L208 E256 I257 V265 V267 H273 V274 V275N197-W206 HydrophobicContact CB-CH2 3.71Å; N197-W206 HydrophobicContact CB-CZ2 3.86Å; W206-L208 HydrophobicContact CB-CD1 3.88Å; W206-E256 WeakPolarHBondContact O-CA 3.09Å; W206-I257 HydrophobicContact CB-CB 3.93Å; W206-I257 HydrophobicContact CB-CD1 4.37Å; W206-I257 HydrophobicContact CB-CG1 4.1Å; W206-I257 HydrophobicContact CG-CB 4.18Å; W206-I257 HydrophobicContact CG-CD1 4.44Å; W206-I257 PolarHBondContact N-O 3.21Å; W206-I257 PolarHBondContact O-N 2.94Å; W206-I257 VanDerWaalsContact O-N 3.16Å; W206-V265 HydrophobicContact CE3-CG1 4.5Å; W206-V265 HydrophobicContact CH2-CB 4.42Å; W206-V265 HydrophobicContact CH2-CG1 4.36Å; W206-V265 HydrophobicContact CZ2-CB 4.19Å; W206-V265 HydrophobicContact CZ2-CG1 4.46Å; W206-V265 HydrophobicContact CZ2-CG2 4.16Å; W206-V265 HydrophobicContact CZ3-CG1 4.37Å; W206-V267 HydrophobicContact CH2-CG2 4.36Å; W206-V267 HydrophobicContact CZ3-CG2 3.87Å; W206-H273 AromaticContact CZ3-CD2 3.77Å; W206-V274 WeakPolarHBondContact CA-O 3.36Å; W206-V275 HydrophobicContact CD2-CG1 4.11Å; W206-V275 HydrophobicContact CD2-CG2 3.81Å; W206-V275 HydrophobicContact CE3-CG2 3.47Å; W206-V275 VanDerWaalsContact CE3-CG2 3.47Å; W206-V275 HydrophobicContact CG-CG1 4.49Å; W206-V275 HydrophobicContact CH2-CG2 3.85Å; W206-V275 HydrophobicContact CZ2-CG1 4.1Å; W206-V275 HydrophobicContact CZ2-CG2 4.17Å; W206-V275 HydrophobicContact CZ3-CG2 3.49Å; W206-V275 VanDerWaalsContact CZ3-CG2 3.49Å
207C98.8Very high98Very high0 Ų035.6 Ų35.60%017%0.172CC..EExtended strand (participates in β ladder)trans-123.6139.1152.6-66.80000109F209 W235 F236 P254 L255 H273 V274C207-F209 HydrophobicContact CB-CE2 4.11Å; C207-W235 HydrophobicContact CB-CH2 3.68Å; C207-W235 HydrophobicContact CB-CZ3 3.81Å; C207-F236 HydrophobicContact CB-CZ 4.48Å; C207-F236 VanDerWaalsContact SG-CE1 3.53Å; C207-P254 HydrophobicContact CB-CB 4.1Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 VanDerWaalsContact CA-O 3.3Å; C207-L255 WeakPolarHBondContact CA-O 3.47Å; C207-H273 WeakPolarHBondContact O-CA 3.43Å; C207-V274 HydrophobicContact CB-CG1 3.79Å; C207-V274 PolarHBondContact N-O 2.56Å; C207-V274 PolarHBondContact O-N 3.34Å; C207-V274 VanDerWaalsContact O-N 3.08Å
208L98.8Very high97.9Very high0 Ų034.8 Ų34.80%017%0.168CC..EExtended strand (participates in β ladder)trans-130.8143177.6-49.987.8000111.5P69 W206 L255 I257 V267 W271 W272 H273P69-L208 HydrophobicContact CB-CD2 4.36Å; P69-L208 HydrophobicContact CG-CD2 4.39Å; W206-L208 HydrophobicContact CB-CD1 3.88Å; L208-L255 HydrophobicContact CB-CB 4.31Å; L208-L255 HydrophobicContact CD1-CB 4.42Å; L208-L255 PolarHBondContact N-O 2.9Å; L208-L255 PolarHBondContact O-N 2.61Å; L208-I257 HydrophobicContact CD1-CD1 3.73Å; L208-I257 HydrophobicContact CD1-CG1 3.94Å; L208-V267 HydrophobicContact CD2-CG2 4.48Å; L208-W271 HydrophobicContact CB-CE3 3.91Å; L208-W271 HydrophobicContact CB-CZ3 4.44Å; L208-W272 CarbonylContact C-O 3.52Å; L208-W272 WeakPolarHBondContact CA-O 3Å; L208-H273 HydrophobicContact CB-CB 4.48Å; L208-H273 HydrophobicContact CD2-CB 4.06Å; L208-H273 HydrophobicContact CG-CB 3.9Å
209F98.8Very high97.8Very high0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-133.4146179.2-53.4-101.1000111.1I186 C207 T213 I218 W235 T243 W248 F252 P254 W272I186-F209 HydrophobicContact CD1-CD2 3.85Å; I186-F209 HydrophobicContact CD1-CE2 3.86Å; C207-F209 HydrophobicContact CB-CE2 4.11Å; F209-T213 HydrophobicContact CB-CG2 4.23Å; F209-T213 HydrophobicContact CD1-CG2 4.39Å; F209-I218 HydrophobicContact CB-CD1 4.48Å; F209-I218 HydrophobicContact CD1-CG2 4.09Å; F209-I218 HydrophobicContact CD2-CG2 4.46Å; F209-I218 HydrophobicContact CE1-CG2 4.02Å; F209-I218 HydrophobicContact CE2-CG2 4.41Å; F209-I218 HydrophobicContact CG-CG2 4.31Å; F209-I218 HydrophobicContact CZ-CG2 4.18Å; F209-W235 AromaticContact CE2-CH2 3.72Å; F209-W235 HydrophobicContact CE2-CH2 3.72Å; F209-W235 AromaticContact CE2-CZ2 3.49Å; F209-W235 HydrophobicContact CE2-CZ2 3.49Å; F209-W235 VanDerWaalsContact CE2-CZ2 3.49Å; F209-W235 AromaticContact CZ-CH2 3.77Å; F209-W235 HydrophobicContact CZ-CH2 3.77Å; F209-W235 AromaticContact CZ-CZ2 3.67Å; F209-W235 HydrophobicContact CZ-CZ2 3.67Å; F209-T243 HydrophobicContact CE1-CG2 4.36Å; F209-T243 HydrophobicContact CZ-CG2 4.07Å; F209-W248 HydrophobicContact CE1-CZ2 4.01Å; F209-F252 VanDerWaalsContact CD1-O 3.32Å; F209-F252 WeakPolarHBondContact CD1-O 3.3Å; F209-F252 WeakPolarHBondContact CE1-O 3.22Å; F209-P254 HydrophobicContact CD1-CB 4.48Å; F209-P254 HydrophobicContact CE1-CB 3.83Å; F209-P254 HydrophobicContact CE1-CG 4.37Å; F209-P254 HydrophobicContact CE2-CB 4.33Å; F209-P254 HydrophobicContact CZ-CB 3.75Å; F209-P254 HydrophobicContact CZ-CG 4.39Å; F209-W272 HydrophobicContact CB-CB 4.14Å; F209-W272 PolarHBondContact N-O 2.97Å; F209-W272 PolarHBondContact O-N 2.9Å
210P97.6Very high97.7Very high24 Ų2437.6 Ų37.616%0.15618%0.18CC..  trans-67.8156.7-177.928.7-35.9000112.2H212 T213 W271P210-H212 PolarHBondContact O-N 3.01Å; P210-T213 WeakPolarHBondContact CD-OG1 3.32Å; P210-T213 WeakPolarHBondContact O-CB 3.44Å; P210-T213 PolarHBondContact O-N 3.37Å; P210-T213 PolarHBondContact O-OG1 3.02Å; P210-W271 HydrophobicContact CB-CH2 4.23Å; P210-W271 HydrophobicContact CB-CZ2 4.44Å; P210-W271 HydrophobicContact CB-CZ3 4.35Å
211T96.3Very high97.6Very high35 Ų3540.3 Ų40.322%0.21520%0.197CC..THydrogen-bonded Turntrans-57.6-20-172.3-171.70000116.2G270 I338 A339T211-G270 WeakPolarHBondContact CA-O 3.29Å; T211-G270 WeakPolarHBondContact CB-O 3.4Å; T211-G270 PolarHBondContact OG1-O 3Å; T211-I338 HydrophobicContact CG2-CG1 4.29Å; T211-I338 WeakPolarHBondContact OG1-CA 3.3Å; T211-A339 PolarHBondContact OG1-N 2.82Å
212H95.4Very high97.4Very high127 Ų12746.4 Ų46.459%0.58822%0.217SC*.THydrogen-bonded Turntrans-966-178.664.2-92000112.9P210 F252P210-H212 PolarHBondContact O-N 3.01Å; H212-F252 AromaticContact CD2-CE1 3.63Å; H212-F252 AromaticContact NE2-CE1 3.82Å
213T97.8Very high97.2Very high6 Ų653.3 Ų53.34%0.03725%0.252CS..SBendtrans-65.6128.2174.4-51.10000109.9F209 P210 R215 L217 I218 F252F209-T213 HydrophobicContact CB-CG2 4.23Å; F209-T213 HydrophobicContact CD1-CG2 4.39Å; P210-T213 WeakPolarHBondContact CD-OG1 3.32Å; P210-T213 WeakPolarHBondContact O-CB 3.44Å; P210-T213 PolarHBondContact O-N 3.37Å; P210-T213 PolarHBondContact O-OG1 3.02Å; T213-R215 PolarHBondContact O-N 2.74Å; T213-L217 HydrophobicContact CG2-CD2 4.43Å; T213-I218 HydrophobicContact CG2-CD1 3.93Å; T213-I218 HydrophobicContact CG2-CG1 4.44Å; T213-I218 HydrophobicContact CG2-CG2 3.76Å; T213-F252 HydrophobicContact CG2-CB 4.16Å; T213-F252 HydrophobicContact CG2-CD1 3.83Å; T213-F252 HydrophobicContact CG2-CE1 4.47Å; T213-F252 HydrophobicContact CG2-CG 3.99Å
214P97.3Very high97Very high42 Ų4254.5 Ų54.527%0.27326%0.26SS..  trans-55.8130.9177-24.833.4000111.4E216 L217 F252P214-E216 VanDerWaalsContact C-N 3.32Å; P214-E216 HydrophobicContact CB-CG 4.32Å; P214-E216 WeakPolarHBondContact CB-OE1 3.33Å; P214-E216 PolarHBondContact O-N 2.7Å; P214-L217 HydrophobicContact CB-CB 4.2Å; P214-L217 WeakPolarHBondContact O-CB 3.48Å; P214-L217 PolarHBondContact O-N 3.28Å; P214-F252 HydrophobicContact CG-CE2 4.07Å; P214-F252 HydrophobicContact CG-CZ 4.26Å
215R95.6Very high96.8Very high152 Ų15254.8 Ų54.857%0.57426%0.263SS*.Hα-helixtrans-66.4-37.9-172.3174.7-178.5157.3-143.6-5.7111.3T213 L217 I218 K219 W272T213-R215 PolarHBondContact O-N 2.74Å; R215-L217 VanDerWaalsContact C-N 3.26Å; R215-L217 PolarHBondContact O-N 2.89Å; R215-I218 PolarHBondContact O-N 3.4Å; R215-K219 HydrophobicContact CG-CB 4.49Å; R215-K219 HydrophobicContact CG-CG 3.81Å; R215-K219 WeakPolarHBondContact O-CB 3.43Å; R215-K219 PolarHBondContact O-N 3.18Å; R215-W272 HydrophobicContact CB-CZ2 4.28Å; R215-W272 HydrophobicContact CG-CH2 4.24Å; R215-W272 HydrophobicContact CG-CZ2 4.27Å
216E95.6Very high96.6Very high157 Ų15756.4 Ų56.473%0.73428%0.283SS*.Hα-helixtrans-63.4-26.3176.463.5-84.9-157.200113.5P214 I218P214-E216 VanDerWaalsContact C-N 3.32Å; P214-E216 HydrophobicContact CB-CG 4.32Å; P214-E216 WeakPolarHBondContact CB-OE1 3.33Å; P214-E216 PolarHBondContact O-N 2.7Å; E216-I218 VanDerWaalsContact C-N 3.35Å
217L97.2Very high96.4Very high46 Ų4658.5 Ų58.524%0.24130%0.295CS..Hα-helixtrans-73.6-29.1175.8-178.761.9000111.7T213 P214 R215 W248 P249 F252T213-L217 HydrophobicContact CG2-CD2 4.43Å; P214-L217 HydrophobicContact CB-CB 4.2Å; P214-L217 WeakPolarHBondContact O-CB 3.48Å; P214-L217 PolarHBondContact O-N 3.28Å; R215-L217 VanDerWaalsContact C-N 3.26Å; R215-L217 PolarHBondContact O-N 2.89Å; L217-W248 HydrophobicContact CD1-CE3 4.16Å; L217-W248 HydrophobicContact CD1-CH2 3.61Å; L217-W248 HydrophobicContact CD1-CZ2 4.16Å; L217-W248 HydrophobicContact CD1-CZ3 3.6Å; L217-W248 HydrophobicContact CD2-CH2 4.22Å; L217-W248 HydrophobicContact CD2-CZ2 3.98Å; L217-W248 HydrophobicContact CG-CH2 3.53Å; L217-W248 HydrophobicContact CG-CZ2 3.8Å; L217-W248 HydrophobicContact CG-CZ3 4.08Å; L217-W248 WeakPolarHBondContact O-CH2 3.43Å; L217-P249 HydrophobicContact CD2-CG 4.33Å; L217-F252 HydrophobicContact CD2-CB 3.98Å; L217-F252 HydrophobicContact CD2-CD2 3.63Å; L217-F252 HydrophobicContact CD2-CG 4.06Å
218I97.8Very high96.2Very high0 Ų058.7 Ų58.70%030%0.296CS..Hα-helixtrans-122-7.4-168.563.4175.1000115.4I186 F209 T213 R215 E216 W235 W248 W272I186-I218 HydrophobicContact CD1-CB 4.03Å; I186-I218 HydrophobicContact CD1-CD1 3.95Å; I186-I218 HydrophobicContact CD1-CG1 4.23Å; F209-I218 HydrophobicContact CB-CD1 4.48Å; F209-I218 HydrophobicContact CD1-CG2 4.09Å; F209-I218 HydrophobicContact CD2-CG2 4.46Å; F209-I218 HydrophobicContact CE1-CG2 4.02Å; F209-I218 HydrophobicContact CE2-CG2 4.41Å; F209-I218 HydrophobicContact CG-CG2 4.31Å; F209-I218 HydrophobicContact CZ-CG2 4.18Å; T213-I218 HydrophobicContact CG2-CD1 3.93Å; T213-I218 HydrophobicContact CG2-CG1 4.44Å; T213-I218 HydrophobicContact CG2-CG2 3.76Å; R215-I218 PolarHBondContact O-N 3.4Å; E216-I218 VanDerWaalsContact C-N 3.35Å; I218-W235 PolarHBondContact O-NE1 2.82Å; I218-W248 HydrophobicContact CG2-CH2 4.25Å; I218-W248 HydrophobicContact CG2-CZ2 4.22Å; I218-W272 HydrophobicContact CD1-CB 3.98Å; I218-W272 VanDerWaalsContact CD1-CD1 3.48Å; I218-W272 HydrophobicContact CD1-CD2 3.69Å; I218-W272 HydrophobicContact CD1-CE3 4.44Å; I218-W272 HydrophobicContact CD1-CG 3.47Å; I218-W272 VanDerWaalsContact CD1-CG 3.47Å
219K97.4Very high96Very high51 Ų5161.5 Ų61.522%0.22231%0.309CS..SBendtrans-90.5143.7171.7-83.6-72.4-169.11790111.3I186 R215 D230I186-K219 HydrophobicContact CG2-CD 3.75Å; I186-K219 HydrophobicContact CG2-CG 4.45Å; I186-K219 WeakPolarHBondContact O-CE 3.27Å; I186-K219 PolarHBondContact O-NZ 3.21Å; R215-K219 HydrophobicContact CG-CB 4.49Å; R215-K219 HydrophobicContact CG-CG 3.81Å; R215-K219 WeakPolarHBondContact O-CB 3.43Å; R215-K219 PolarHBondContact O-N 3.18Å; K219-D230 IonicContact NZ-OD1 3.74Å; K219-D230 PolarHBondContact NZ-OD1 3.26Å
220V96.9Very high95.9Very high7 Ų764 Ų644%0.04232%0.322CS..PPolyproline II helixtrans-71134169.8-176.50000108.6D224 Q229 T234 W235 V238 V239V220-D224 HydrophobicContact CG1-CB 3.91Å; V220-Q229 HydrophobicContact CB-CG 4.2Å; V220-Q229 WeakPolarHBondContact CB-O 3.49Å; V220-Q229 HydrophobicContact CG1-CG 4.19Å; V220-Q229 PolarHBondContact O-NE2 3.42Å; V220-T234 HydrophobicContact CG1-CG2 4.03Å; V220-T234 HydrophobicContact CG2-CG2 4.47Å; V220-W235 HydrophobicContact CG2-CB 4.27Å; V220-V238 HydrophobicContact CG1-CG1 4.36Å; V220-V239 HydrophobicContact CG2-CG2 3.89Å
221T96.3Very high95.9Very high63 Ų6363.3 Ų63.339%0.38732%0.317SS..PPolyproline II helixtrans-75.1164.1175.267.60000111D223 D224 G225T221-D223 PolarHBondContact O-N 3.34Å; T221-D224 VanDerWaalsContact OG1-CB 3.29Å; T221-D224 WeakPolarHBondContact OG1-CB 3.48Å; T221-D224 PolarHBondContact OG1-N 3.05Å; T221-D224 PolarHBondContact OG1-OD2 2.98Å; T221-G225 PolarHBondContact O-N 2.88Å
222R93.6Very high96Very high194 Ų19461.7 Ų61.773%0.73231%0.307SS*.Hα-helixtrans-64.6-31.7176.2-171.4178.8176-154-3.5112G226R222-G226 WeakPolarHBondContact O-CA 3.37Å; R222-G226 PolarHBondContact O-N 2.64Å
223D95.2Very high96.2Very high154 Ų15455.7 Ų55.782%0.82428%0.279SS*.Hα-helixtrans-79.2-39.1-178-53.3-41.9000111.7T221T221-D223 PolarHBondContact O-N 3.34Å
224D94.7Very high96.2Very high73 Ų7355.6 Ų55.639%0.3928%0.279SS..Hα-helixtrans-66.5-38.9171.7-74-27.2000112V220 T221 V238 R242V220-D224 HydrophobicContact CG1-CB 3.91Å; T221-D224 VanDerWaalsContact OG1-CB 3.29Å; T221-D224 WeakPolarHBondContact OG1-CB 3.48Å; T221-D224 PolarHBondContact OG1-N 3.05Å; T221-D224 PolarHBondContact OG1-OD2 2.98Å; D224-V238 HydrophobicContact CB-CG1 3.77Å; D224-V238 HydrophobicContact CB-CG2 4.47Å; D224-R242 IonicContact OD1-NH2 2.78Å; D224-R242 IonicContact OD2-CZ 3.71Å; D224-R242 IonicContact OD2-NH1 3.24Å; D224-R242 PolarHBondContact OD2-NH1 2.83Å; D224-R242 IonicContact OD2-NH2 3.76Å; D224-R242 PolarHBondContact OD2-NH2 3.25Å
225G93.6Very high96.3Very high6 Ų653.7 Ų53.76%0.06227%0.266CS..Hα-helixtrans-100.6-23.6-167.100000116.3T221 N227 Q228 Q229T221-G225 PolarHBondContact O-N 2.88Å; G225-N227 PolarHBondContact O-N 2.93Å; G225-Q228 CarbonylContact O-C 3.59Å; G225-Q228 PolarHBondContact O-N 2.94Å; G225-Q229 PolarHBondContact O-N 2.71Å
226G95.6Very high96.4Very high45 Ų4546.8 Ų46.846%0.46424%0.24SC..G310 helixtrans51.5-121.4179.900000113.8R222R222-G226 WeakPolarHBondContact O-CA 3.37Å; R222-G226 PolarHBondContact O-N 2.64Å
227N93.9Very high96.6Very high46 Ų4642.9 Ų42.925%0.24622%0.224CC..G310 helixtrans-9111.5176.961.9-15.1000114R17 E19 L20 G225R17-N227 PolarHBondContact NH2-O 3.49Å; E19-N227 HydrophobicContact CG-CB 4.32Å; L20-N227 HydrophobicContact CD2-CB 4.11Å; L20-N227 VanDerWaalsContact CD2-ND2 3.3Å; L20-N227 WeakPolarHBondContact CD2-ND2 3.27Å; G225-N227 PolarHBondContact O-N 2.93Å
228Q94.8Very high96.6Very high5 Ų541.8 Ų41.82%0.02322%0.219CC..G310 helixtrans-128.823174.5-55.8-69.116.500111.6R17 D25 G225 D230 E231 T234R17-Q228 VanDerWaalsContact CZ-OE1 3.3Å; D25-Q228 PolarHBondContact O-NE2 3.36Å; G225-Q228 CarbonylContact O-C 3.59Å; G225-Q228 PolarHBondContact O-N 2.94Å; Q228-D230 PolarHBondContact O-N 2.79Å; Q228-E231 HydrophobicContact CB-CG 4.29Å; Q228-E231 WeakPolarHBondContact O-CB 3.2Å; Q228-E231 PolarHBondContact O-N 3.19Å; Q228-T234 WeakPolarHBondContact CB-OG1 3.39Å; Q228-T234 VanDerWaalsContact O-CB 3.23Å; Q228-T234 WeakPolarHBondContact O-CB 3.49Å; Q228-T234 PolarHBondContact O-OG1 3.13Å
229Q95.5Very high96.6Very high58 Ų5841.9 Ų41.927%0.27122%0.22SC..THydrogen-bonded Turntrans-55.9-46.7-167.6-176.2-180-4.200114.8V220 G225 E231V220-Q229 HydrophobicContact CB-CG 4.2Å; V220-Q229 WeakPolarHBondContact CB-O 3.49Å; V220-Q229 HydrophobicContact CG1-CG 4.19Å; V220-Q229 PolarHBondContact O-NE2 3.42Å; G225-Q229 PolarHBondContact O-N 2.71Å; Q229-E231 VanDerWaalsContact C-N 3.34Å
230D96Very high96.7Very high54 Ų5440.7 Ų40.729%0.28921%0.214SC..THydrogen-bonded Turntrans-91.212.3-177.4-69-71.7000113.8G185 K219 Q228G185-D230 VanDerWaalsContact CA-O 3.29Å; G185-D230 WeakPolarHBondContact CA-O 3.43Å; K219-D230 IonicContact NZ-OD1 3.74Å; K219-D230 PolarHBondContact NZ-OD1 3.26Å; Q228-D230 PolarHBondContact O-N 2.79Å
231E98.4Very high96.7Very high9 Ų943.2 Ų43.24%0.04223%0.231CC..  trans-81.8141.9178.5-67.6-69.5-178.500112.6R17 S128 Q228 Q229 I233 T234 W235 S348R17-E231 IonicContact CZ-OE1 3.82Å; R17-E231 IonicContact NH1-OE1 2.79Å; R17-E231 PolarHBondContact NH1-OE1 3.19Å; S128-E231 VanDerWaalsContact CB-CD 3.46Å; S128-E231 WeakPolarHBondContact CB-OE2 3.34Å; S128-E231 PolarHBondContact OG-OE2 2.92Å; Q228-E231 HydrophobicContact CB-CG 4.29Å; Q228-E231 WeakPolarHBondContact O-CB 3.2Å; Q228-E231 PolarHBondContact O-N 3.19Å; Q229-E231 VanDerWaalsContact C-N 3.34Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 3.23Å; E231-T234 WeakPolarHBondContact O-CB 3.36Å; E231-T234 PolarHBondContact O-N 3.41Å; E231-W235 PolarHBondContact O-N 3.28Å; E231-W235 VanDerWaalsContact O-N 3.08Å; E231-S348 WeakPolarHBondContact OE2-CB 3.14Å
232A98.6Very high96.8Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-58.8-43-177.900000112.6T234 W235 F236 V274 V275 L276A232-T234 PolarHBondContact O-N 2.86Å; A232-W235 WeakPolarHBondContact O-CB 3.25Å; A232-W235 PolarHBondContact O-N 2.97Å; A232-F236 VanDerWaalsContact O-CD2 3.32Å; A232-F236 WeakPolarHBondContact O-CD2 3.23Å; A232-F236 PolarHBondContact O-N 3.5Å; A232-V274 HydrophobicContact CB-CG2 4.28Å; A232-V275 WeakPolarHBondContact CB-O 3.37Å; A232-L276 HydrophobicContact CB-CD1 4.09Å
233I98.6Very high97Very high1 Ų135.8 Ų35.81%0.00520%0.196CC..Hα-helixtrans-66.9-36.3179.7-169157.4000112.4Y31 F35 R181 E231 W235 F236 N237 L276Y31-I233 HydrophobicContact CD2-CB 4.5Å; Y31-I233 HydrophobicContact CD2-CD1 3.7Å; Y31-I233 HydrophobicContact CD2-CG1 3.79Å; Y31-I233 HydrophobicContact CD2-CG2 3.93Å; Y31-I233 HydrophobicContact CE2-CG1 4.12Å; Y31-I233 HydrophobicContact CE2-CG2 4.04Å; Y31-I233 HydrophobicContact CG-CD1 3.83Å; Y31-I233 HydrophobicContact CG-CG1 4.22Å; F35-I233 HydrophobicContact CB-CD1 4.14Å; F35-I233 HydrophobicContact CD1-CD1 3.94Å; F35-I233 HydrophobicContact CD1-CG1 4.36Å; F35-I233 HydrophobicContact CD2-CD1 4.03Å; F35-I233 HydrophobicContact CD2-CG1 3.86Å; F35-I233 HydrophobicContact CE1-CD1 4.4Å; F35-I233 HydrophobicContact CE1-CG1 4.43Å; F35-I233 HydrophobicContact CE2-CD1 4.47Å; F35-I233 HydrophobicContact CE2-CG1 3.92Å; F35-I233 HydrophobicContact CG-CD1 3.75Å; F35-I233 HydrophobicContact CG-CG1 4.1Å; F35-I233 HydrophobicContact CZ-CG1 4.22Å; R181-I233 HydrophobicContact CB-CD1 3.69Å; R181-I233 HydrophobicContact CG-CD1 3.68Å; E231-I233 VanDerWaalsContact C-N 3.33Å; E231-I233 PolarHBondContact O-N 3.23Å; I233-W235 VanDerWaalsContact C-N 3.33Å; I233-W235 PolarHBondContact O-N 3.45Å; I233-F236 PolarHBondContact O-N 3.04Å; I233-N237 WeakPolarHBondContact O-CB 3.2Å; I233-N237 PolarHBondContact O-N 3.28Å; I233-L276 HydrophobicContact CB-CD1 3.94Å
234T98.6Very high97.1Very high5 Ų531.6 Ų31.63%0.03117%0.172CC..Hα-helixtrans-61.5-43.3172.5-50.60000110.6V220 Q228 E231 A232 N237 V238V220-T234 HydrophobicContact CG1-CG2 4.03Å; V220-T234 HydrophobicContact CG2-CG2 4.47Å; Q228-T234 WeakPolarHBondContact CB-OG1 3.39Å; Q228-T234 VanDerWaalsContact O-CB 3.23Å; Q228-T234 WeakPolarHBondContact O-CB 3.49Å; Q228-T234 PolarHBondContact O-OG1 3.13Å; E231-T234 WeakPolarHBondContact O-CB 3.36Å; E231-T234 PolarHBondContact O-N 3.41Å; A232-T234 PolarHBondContact O-N 2.86Å; T234-N237 PolarHBondContact O-N 2.85Å; T234-V238 HydrophobicContact CG2-CG2 4.12Å; T234-V238 VanDerWaalsContact O-CB 3.29Å; T234-V238 WeakPolarHBondContact O-CB 3.16Å; T234-V238 VanDerWaalsContact O-CG2 3.31Å; T234-V238 WeakPolarHBondContact O-CG2 3.42Å; T234-V238 PolarHBondContact O-N 2.86Å
235W98.8Very high97.2Very high2 Ų232.9 Ų32.91%0.00818%0.176CC..Hα-helixtrans-61.2-45.2175.1-171.194.2000112.5I186 C207 F209 I218 V220 E231 A232 I233 N237 V238 V239 Y240 V274I186-W235 HydrophobicContact CD1-CZ2 4Å; C207-W235 HydrophobicContact CB-CH2 3.68Å; C207-W235 HydrophobicContact CB-CZ3 3.81Å; F209-W235 AromaticContact CE2-CH2 3.72Å; F209-W235 HydrophobicContact CE2-CH2 3.72Å; F209-W235 AromaticContact CE2-CZ2 3.49Å; F209-W235 HydrophobicContact CE2-CZ2 3.49Å; F209-W235 VanDerWaalsContact CE2-CZ2 3.49Å; F209-W235 AromaticContact CZ-CH2 3.77Å; F209-W235 HydrophobicContact CZ-CH2 3.77Å; F209-W235 AromaticContact CZ-CZ2 3.67Å; F209-W235 HydrophobicContact CZ-CZ2 3.67Å; I218-W235 PolarHBondContact O-NE1 2.82Å; V220-W235 HydrophobicContact CG2-CB 4.27Å; E231-W235 PolarHBondContact O-N 3.28Å; E231-W235 VanDerWaalsContact O-N 3.08Å; A232-W235 WeakPolarHBondContact O-CB 3.25Å; A232-W235 PolarHBondContact O-N 2.97Å; I233-W235 VanDerWaalsContact C-N 3.33Å; I233-W235 PolarHBondContact O-N 3.45Å; W235-N237 VanDerWaalsContact C-N 3.29Å; W235-N237 PolarHBondContact O-N 3.41Å; W235-V238 PolarHBondContact O-N 2.75Å; W235-V239 HydrophobicContact CD2-CB 4.1Å; W235-V239 HydrophobicContact CG-CB 4.27Å; W235-V239 HydrophobicContact CG-CG2 4.46Å; W235-V239 HydrophobicContact CH2-CG1 4.47Å; W235-V239 HydrophobicContact CZ2-CB 4.06Å; W235-V239 HydrophobicContact CZ2-CG1 3.59Å; W235-V239 PolarHBondContact O-N 2.94Å; W235-Y240 HydrophobicContact CZ3-CD2 4.3Å; W235-Y240 HydrophobicContact CZ3-CG 4.48Å; W235-Y240 PolarHBondContact O-N 3.15Å; W235-Y240 VanDerWaalsContact O-N 3.13Å; W235-V274 HydrophobicContact CB-CG2 4.14Å; W235-V274 HydrophobicContact CD2-CB 4.35Å; W235-V274 HydrophobicContact CD2-CG1 3.81Å; W235-V274 HydrophobicContact CD2-CG2 4.08Å; W235-V274 HydrophobicContact CE3-CB 4.39Å; W235-V274 HydrophobicContact CE3-CG1 3.54Å; W235-V274 HydrophobicContact CE3-CG2 4.08Å; W235-V274 HydrophobicContact CG-CG2 4.08Å; W235-V274 HydrophobicContact CH2-CG1 4Å; W235-V274 HydrophobicContact CZ2-CG1 4.24Å; W235-V274 HydrophobicContact CZ3-CG1 3.63Å
236F98.6Very high97.4Very high6 Ų638.9 Ų38.93%0.02621%0.213CC..Hα-helixtrans-70.4-20.7177.4-82.9-75.4000114F35 R205 C207 A232 I233 Y240 V274 L276F35-F236 HydrophobicContact CE2-CB 4.35Å; F35-F236 HydrophobicContact CZ-CB 3.89Å; R205-F236 HydrophobicContact CB-CZ 4.45Å; R205-F236 HydrophobicContact CG-CE1 3.83Å; R205-F236 HydrophobicContact CG-CZ 3.81Å; C207-F236 HydrophobicContact CB-CZ 4.48Å; C207-F236 VanDerWaalsContact SG-CE1 3.53Å; A232-F236 VanDerWaalsContact O-CD2 3.32Å; A232-F236 WeakPolarHBondContact O-CD2 3.23Å; A232-F236 PolarHBondContact O-N 3.5Å; I233-F236 PolarHBondContact O-N 3.04Å; F236-Y240 HydrophobicContact CD1-CD2 4.17Å; F236-Y240 AromaticContact CD1-CG 3.93Å; F236-Y240 HydrophobicContact CD1-CG 3.93Å; F236-Y240 HydrophobicContact CE1-CD2 4.21Å; F236-Y240 HydrophobicContact CE1-CG 4.44Å; F236-V274 HydrophobicContact CD2-CG2 4.41Å; F236-V274 HydrophobicContact CE2-CG1 4.22Å; F236-V274 HydrophobicContact CE2-CG2 4.01Å; F236-V274 HydrophobicContact CZ-CG1 4.26Å; F236-L276 HydrophobicContact CB-CD2 4.37Å; F236-L276 HydrophobicContact CD2-CB 3.67Å; F236-L276 HydrophobicContact CD2-CD2 3.96Å; F236-L276 HydrophobicContact CD2-CG 4.33Å; F236-L276 HydrophobicContact CE2-CB 3.58Å; F236-L276 HydrophobicContact CG-CD2 4.25Å; F236-L276 HydrophobicContact CZ-CB 4.5Å
237N98.2Very high97.5Very high76 Ų7642.3 Ų42.341%0.40623%0.225SC..Hα-helixtrans-85.8-37.1173.1-168.354.4000112.7Y31 F35 I233 T234 W235 P241Y31-N237 HydrophobicContact CE1-CB 4.44Å; Y31-N237 PolarHBondContact OH-ND2 3.07Å; Y31-N237 VanDerWaalsContact OH-ND2 3.09Å; F35-N237 HydrophobicContact CE2-CB 4.21Å; I233-N237 WeakPolarHBondContact O-CB 3.2Å; I233-N237 PolarHBondContact O-N 3.28Å; T234-N237 PolarHBondContact O-N 2.85Å; W235-N237 VanDerWaalsContact C-N 3.29Å; W235-N237 PolarHBondContact O-N 3.41Å; N237-P241 WeakPolarHBondContact O-CG 3.23Å
238V98.1Very high97.7Very high23 Ų2340.9 Ų40.914%0.13922%0.217CC..Hα-helixtrans-96.2-50.2-171.4174.50000113V220 D224 T234 W235 R242V220-V238 HydrophobicContact CG1-CG1 4.36Å; D224-V238 HydrophobicContact CB-CG1 3.77Å; D224-V238 HydrophobicContact CB-CG2 4.47Å; T234-V238 HydrophobicContact CG2-CG2 4.12Å; T234-V238 VanDerWaalsContact O-CB 3.29Å; T234-V238 WeakPolarHBondContact O-CB 3.16Å; T234-V238 VanDerWaalsContact O-CG2 3.31Å; T234-V238 WeakPolarHBondContact O-CG2 3.42Å; T234-V238 PolarHBondContact O-N 2.86Å; W235-V238 PolarHBondContact O-N 2.75Å; V238-R242 VanDerWaalsContact CG1-NH2 3.28Å; V238-R242 WeakPolarHBondContact O-CG 3.42Å; V238-R242 PolarHBondContact O-NE 2.79Å
239V98.4Very high97.8Very high1 Ų142.7 Ų42.71%0.00623%0.229CC..THydrogen-bonded Turntrans-94.2-45.5-170.1179.70000111V220 W235 R242 T243V220-V239 HydrophobicContact CG2-CG2 3.89Å; W235-V239 HydrophobicContact CD2-CB 4.1Å; W235-V239 HydrophobicContact CG-CB 4.27Å; W235-V239 HydrophobicContact CG-CG2 4.46Å; W235-V239 HydrophobicContact CH2-CG1 4.47Å; W235-V239 HydrophobicContact CZ2-CB 4.06Å; W235-V239 HydrophobicContact CZ2-CG1 3.59Å; W235-V239 PolarHBondContact O-N 2.94Å; V239-R242 WeakPolarHBondContact O-CA 3.28Å; V239-R242 VanDerWaalsContact O-CB 3.23Å; V239-R242 WeakPolarHBondContact O-CB 3.44Å; V239-R242 PolarHBondContact O-N 3.4Å; V239-T243 PolarHBondContact O-N 3.04Å
240Y98.2Very high97.8Very high26 Ų2643 Ų4310%0.10224%0.242CC..Hα-helixtrans-52.8-43.7-177.7174.9-95.9000113.8R205 W235 F236 R242 T243 Q244 E256R205-Y240 PolarHBondContact NH2-OH 2.96Å; W235-Y240 HydrophobicContact CZ3-CD2 4.3Å; W235-Y240 HydrophobicContact CZ3-CG 4.48Å; W235-Y240 PolarHBondContact O-N 3.15Å; W235-Y240 VanDerWaalsContact O-N 3.13Å; F236-Y240 HydrophobicContact CD1-CD2 4.17Å; F236-Y240 AromaticContact CD1-CG 3.93Å; F236-Y240 HydrophobicContact CD1-CG 3.93Å; F236-Y240 HydrophobicContact CE1-CD2 4.21Å; F236-Y240 HydrophobicContact CE1-CG 4.44Å; Y240-R242 PolarHBondContact O-N 2.88Å; Y240-T243 WeakPolarHBondContact O-CB 3.47Å; Y240-T243 PolarHBondContact O-N 3.12Å; Y240-T243 PolarHBondContact O-OG1 3.36Å; Y240-Q244 HydrophobicContact CD1-CG 4.45Å; Y240-Q244 HydrophobicContact CE1-CG 3.84Å; Y240-Q244 HydrophobicContact CE2-CG 4.21Å; Y240-Q244 VanDerWaalsContact CE2-NE2 3.27Å; Y240-Q244 VanDerWaalsContact OH-CD 3.26Å; Y240-Q244 PolarHBondContact OH-NE2 2.91Å; Y240-E256 VanDerWaalsContact CE2-OE2 3.31Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.45Å; Y240-E256 PolarHBondContact OH-OE2 3.33Å
241P97.7Very high97.9Very high61 Ų6146.6 Ų46.640%0.39626%0.257SS..Hα-helixtrans-61.9-26.9177.5-24.736.7000113.9N237 Q244N237-P241 WeakPolarHBondContact O-CG 3.23Å; P241-Q244 PolarHBondContact O-N 3.42Å
242R98Very high97.8Very high93 Ų9347.4 Ų47.435%0.35126%0.26SS..Hα-helixtrans-66.9-39.3174.1-50.6176.5-173.2179.9-3.6110.5D224 V238 V239 Y240 Q244 Q245 W248D224-R242 IonicContact OD1-NH2 2.78Å; D224-R242 IonicContact OD2-CZ 3.71Å; D224-R242 IonicContact OD2-NH1 3.24Å; D224-R242 PolarHBondContact OD2-NH1 2.83Å; D224-R242 IonicContact OD2-NH2 3.76Å; D224-R242 PolarHBondContact OD2-NH2 3.25Å; V238-R242 VanDerWaalsContact CG1-NH2 3.28Å; V238-R242 WeakPolarHBondContact O-CG 3.42Å; V238-R242 PolarHBondContact O-NE 2.79Å; V239-R242 WeakPolarHBondContact O-CA 3.28Å; V239-R242 VanDerWaalsContact O-CB 3.23Å; V239-R242 WeakPolarHBondContact O-CB 3.44Å; V239-R242 PolarHBondContact O-N 3.4Å; Y240-R242 PolarHBondContact O-N 2.88Å; R242-Q244 PolarHBondContact O-N 3.17Å; R242-Q244 VanDerWaalsContact O-N 3.13Å; R242-Q245 PolarHBondContact O-N 3.03Å; R242-W248 VanDerWaalsContact C-CE3 3.48Å; R242-W248 HydrophobicContact CB-CE3 4.06Å; R242-W248 HydrophobicContact CB-CZ3 3.8Å
243T97.8Very high97.8Very high7 Ų754.6 Ų54.64%0.04329%0.287CS..Hα-helixtrans-61.4-20.717876.30000114.6F209 V239 Y240 W248 P254F209-T243 HydrophobicContact CE1-CG2 4.36Å; F209-T243 HydrophobicContact CZ-CG2 4.07Å; V239-T243 PolarHBondContact O-N 3.04Å; Y240-T243 WeakPolarHBondContact O-CB 3.47Å; Y240-T243 PolarHBondContact O-N 3.12Å; Y240-T243 PolarHBondContact O-OG1 3.36Å; T243-W248 HydrophobicContact CG2-CD2 4.4Å; T243-W248 HydrophobicContact CG2-CE3 4.48Å; T243-W248 HydrophobicContact CG2-CH2 3.85Å; T243-W248 HydrophobicContact CG2-CZ2 3.78Å; T243-W248 HydrophobicContact CG2-CZ3 4.22Å; T243-P254 HydrophobicContact CG2-CG 4.41Å
244Q96.8Very high97.7Very high66 Ų6654.9 Ų54.931%0.30829%0.289SS..THydrogen-bonded Turntrans-96.9-2.1-175.2-54.2-65.2-53.300112.5Y240 P241 R242 E256Y240-Q244 HydrophobicContact CD1-CG 4.45Å; Y240-Q244 HydrophobicContact CE1-CG 3.84Å; Y240-Q244 HydrophobicContact CE2-CG 4.21Å; Y240-Q244 VanDerWaalsContact CE2-NE2 3.27Å; Y240-Q244 VanDerWaalsContact OH-CD 3.26Å; Y240-Q244 PolarHBondContact OH-NE2 2.91Å; P241-Q244 PolarHBondContact O-N 3.42Å; R242-Q244 PolarHBondContact O-N 3.17Å; R242-Q244 VanDerWaalsContact O-N 3.13Å; Q244-E256 PolarHBondContact NE2-OE1 3.39Å
245Q97.6Very high97.7Very high100 Ų10056.9 Ų56.947%0.46730%0.299SS..SBendtrans-80.5148.2178.2-59.9-175.810.700111.6R242 T247 W248R242-Q245 PolarHBondContact O-N 3.03Å; Q245-T247 WeakPolarHBondContact CB-OG1 3.34Å; Q245-T247 PolarHBondContact O-N 2.65Å; Q245-T247 VanDerWaalsContact O-N 3.12Å; Q245-T247 PolarHBondContact OE1-OG1 3.06Å; Q245-W248 WeakPolarHBondContact O-CB 3.23Å; Q245-W248 PolarHBondContact O-N 3.05Å
246P96.9Very high97.7Very high132 Ų13257.1 Ų57.186%0.85730%0.3SS*.THydrogen-bonded Turntrans-60-21.4175.3-24.434.9000114.5W248P246-W248 VanDerWaalsContact C-N 3.34Å
247T97.6Very high97.7Very high117 Ų11756.8 Ų56.872%0.71830%0.299SS*.THydrogen-bonded Turntrans-78.8-9.1177.143.50000114.2Q245Q245-T247 WeakPolarHBondContact CB-OG1 3.34Å; Q245-T247 PolarHBondContact O-N 2.65Å; Q245-T247 VanDerWaalsContact O-N 3.12Å; Q245-T247 PolarHBondContact OE1-OG1 3.06Å
248W98.1Very high97.8Very high17 Ų1755.1 Ų55.16%0.06429%0.29CS..SBendtrans-72.3132.4179.7-171.8-92.4000111.6F209 L217 I218 R242 T243 Q245 P246 A250 F252F209-W248 HydrophobicContact CE1-CZ2 4.01Å; L217-W248 HydrophobicContact CD1-CE3 4.16Å; L217-W248 HydrophobicContact CD1-CH2 3.61Å; L217-W248 HydrophobicContact CD1-CZ2 4.16Å; L217-W248 HydrophobicContact CD1-CZ3 3.6Å; L217-W248 HydrophobicContact CD2-CH2 4.22Å; L217-W248 HydrophobicContact CD2-CZ2 3.98Å; L217-W248 HydrophobicContact CG-CH2 3.53Å; L217-W248 HydrophobicContact CG-CZ2 3.8Å; L217-W248 HydrophobicContact CG-CZ3 4.08Å; L217-W248 WeakPolarHBondContact O-CH2 3.43Å; I218-W248 HydrophobicContact CG2-CH2 4.25Å; I218-W248 HydrophobicContact CG2-CZ2 4.22Å; R242-W248 VanDerWaalsContact C-CE3 3.48Å; R242-W248 HydrophobicContact CB-CE3 4.06Å; R242-W248 HydrophobicContact CB-CZ3 3.8Å; T243-W248 HydrophobicContact CG2-CD2 4.4Å; T243-W248 HydrophobicContact CG2-CE3 4.48Å; T243-W248 HydrophobicContact CG2-CH2 3.85Å; T243-W248 HydrophobicContact CG2-CZ2 3.78Å; T243-W248 HydrophobicContact CG2-CZ3 4.22Å; Q245-W248 WeakPolarHBondContact O-CB 3.23Å; Q245-W248 PolarHBondContact O-N 3.05Å; P246-W248 VanDerWaalsContact C-N 3.34Å; W248-A250 PolarHBondContact O-N 3.09Å; W248-F252 VanDerWaalsContact NE1-C 3.31Å; W248-F252 PolarHBondContact NE1-O 3.44Å
249P97.8Very high97.8Very high42 Ų4254 Ų5427%0.27328%0.283SS..  trans-53.4129.3179.4-25.834.1000112.2L217 E251 F252 R253L217-P249 HydrophobicContact CD2-CG 4.33Å; P249-E251 VanDerWaalsContact C-N 3.29Å; P249-E251 VanDerWaalsContact C-OE2 3.3Å; P249-E251 HydrophobicContact CB-CG 4.4Å; P249-E251 WeakPolarHBondContact CB-OE2 3.29Å; P249-E251 PolarHBondContact O-N 3.32Å; P249-F252 HydrophobicContact CB-CB 4.37Å; P249-F252 HydrophobicContact CB-CD2 3.75Å; P249-F252 HydrophobicContact CB-CG 4.46Å; P249-F252 HydrophobicContact CG-CD2 4.19Å; P249-F252 PolarHBondContact O-N 2.78Å; P249-R253 PolarHBondContact O-N 3.3Å
250A96.3Very high97.8Very high66 Ų6654.6 Ų54.655%0.54529%0.289SS..G310 helixtrans-66.4-34.1-172.200000112.3W248 F252W248-A250 PolarHBondContact O-N 3.09Å; A250-F252 VanDerWaalsContact C-N 3.3Å; A250-F252 PolarHBondContact O-N 3.26Å
251E96.4Very high97.8Very high129 Ų12956.6 Ų56.660%0.60331%0.305SS*.G310 helixtrans-67.9-24176.266.8-86.8-143.800113.7P249P249-E251 VanDerWaalsContact C-N 3.29Å; P249-E251 VanDerWaalsContact C-OE2 3.3Å; P249-E251 HydrophobicContact CB-CG 4.4Å; P249-E251 WeakPolarHBondContact CB-OE2 3.29Å; P249-E251 PolarHBondContact O-N 3.32Å
252F97.3Very high97.8Very high26 Ų2654.7 Ų54.711%0.11430%0.297CS..G310 helixtrans-108.318.2179.6-57.7-47.5000113.1F209 H212 T213 P214 L217 W248 P249 A250F209-F252 VanDerWaalsContact CD1-O 3.32Å; F209-F252 WeakPolarHBondContact CD1-O 3.3Å; F209-F252 WeakPolarHBondContact CE1-O 3.22Å; H212-F252 AromaticContact CD2-CE1 3.63Å; H212-F252 AromaticContact NE2-CE1 3.82Å; T213-F252 HydrophobicContact CG2-CB 4.16Å; T213-F252 HydrophobicContact CG2-CD1 3.83Å; T213-F252 HydrophobicContact CG2-CE1 4.47Å; T213-F252 HydrophobicContact CG2-CG 3.99Å; P214-F252 HydrophobicContact CG-CE2 4.07Å; P214-F252 HydrophobicContact CG-CZ 4.26Å; L217-F252 HydrophobicContact CD2-CB 3.98Å; L217-F252 HydrophobicContact CD2-CD2 3.63Å; L217-F252 HydrophobicContact CD2-CG 4.06Å; W248-F252 VanDerWaalsContact NE1-C 3.31Å; W248-F252 PolarHBondContact NE1-O 3.44Å; P249-F252 HydrophobicContact CB-CB 4.37Å; P249-F252 HydrophobicContact CB-CD2 3.75Å; P249-F252 HydrophobicContact CB-CG 4.46Å; P249-F252 HydrophobicContact CG-CD2 4.19Å; P249-F252 PolarHBondContact O-N 2.78Å; A250-F252 VanDerWaalsContact C-N 3.3Å; A250-F252 PolarHBondContact O-N 3.26Å
253R97.4Very high97.9Very high151 Ų15151.5 Ų51.557%0.5729%0.286SS*.PPolyproline II helixtrans-63136.1173.4-74.5177.7177.5-1801.3110.4P249P249-R253 PolarHBondContact O-N 3.3Å
254P98Very high97.9Very high7 Ų751.2 Ų51.25%0.04528%0.284CS..PPolyproline II helixtrans-65.3143.2-178.125.3-33.4000111.9N45 C207 F209 T243 E256N45-P254 PolarHBondContact ND2-O 3.05Å; N45-P254 VanDerWaalsContact ND2-O 3.09Å; C207-P254 HydrophobicContact CB-CB 4.1Å; F209-P254 HydrophobicContact CD1-CB 4.48Å; F209-P254 HydrophobicContact CE1-CB 3.83Å; F209-P254 HydrophobicContact CE1-CG 4.37Å; F209-P254 HydrophobicContact CE2-CB 4.33Å; F209-P254 HydrophobicContact CZ-CB 3.75Å; F209-P254 HydrophobicContact CZ-CG 4.39Å; T243-P254 HydrophobicContact CG2-CG 4.41Å; P254-E256 HydrophobicContact CB-CG 4.19Å; P254-E256 HydrophobicContact CG-CG 4.1Å
255L98.4Very high98Very high47 Ų4748 Ų4825%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-73.6125.2150.3-66-176.9000107.7N45 V46 P69 C207 L208 W271N45-L255 VanDerWaalsContact OD1-CA 3.27Å; N45-L255 WeakPolarHBondContact OD1-CA 3.46Å; V46-L255 HydrophobicContact CG2-CB 3.81Å; V46-L255 HydrophobicContact CG2-CD1 4.38Å; V46-L255 HydrophobicContact CG2-CD2 4.36Å; V46-L255 HydrophobicContact CG2-CG 4.41Å; P69-L255 HydrophobicContact CB-CD1 4.33Å; P69-L255 HydrophobicContact CG-CD1 3.95Å; C207-L255 CarbonylContact C-O 3.58Å; C207-L255 VanDerWaalsContact CA-O 3.3Å; C207-L255 WeakPolarHBondContact CA-O 3.47Å; L208-L255 HydrophobicContact CB-CB 4.31Å; L208-L255 HydrophobicContact CD1-CB 4.42Å; L208-L255 PolarHBondContact N-O 2.9Å; L208-L255 PolarHBondContact O-N 2.61Å; L255-W271 HydrophobicContact CD1-CH2 3.64Å; L255-W271 HydrophobicContact CD1-CZ3 3.62Å; L255-W271 HydrophobicContact CG-CH2 4.39Å; L255-W271 HydrophobicContact CG-CZ3 4.13Å
256E98.6Very high98.1Very high6 Ų643.3 Ų43.33%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-112.3137.5-179.8-62.5-168.5-126.700109.8K43 D44 N45 R205 W206 Y240 Q244 P254K43-E256 WeakPolarHBondContact O-CB 3.29Å; D44-E256 WeakPolarHBondContact CA-O 3.35Å; N45-E256 PolarHBondContact N-O 3.4Å; N45-E256 PolarHBondContact OD1-N 3.02Å; N45-E256 PolarHBondContact OD1-O 3.01Å; R205-E256 IonicContact NH2-OE2 3.39Å; W206-E256 WeakPolarHBondContact O-CA 3.09Å; Y240-E256 VanDerWaalsContact CE2-OE2 3.31Å; Y240-E256 WeakPolarHBondContact CE2-OE2 3.45Å; Y240-E256 PolarHBondContact OH-OE2 3.33Å; Q244-E256 PolarHBondContact NE2-OE1 3.39Å; P254-E256 HydrophobicContact CB-CG 4.19Å; P254-E256 HydrophobicContact CG-CG 4.1Å
257I98.8Very high98.2Very high0 Ų037.1 Ų37.10%021%0.207CC..EExtended strand (participates in β ladder)trans-133.2129.4177.2-39178.9000110D44 V46 V71 R205 W206 L208 Q259 V265D44-I257 WeakPolarHBondContact OD2-CA 3.29Å; V46-I257 HydrophobicContact CB-CD1 4.28Å; V46-I257 HydrophobicContact CB-CG1 3.99Å; V46-I257 HydrophobicContact CG1-CD1 4.22Å; V46-I257 HydrophobicContact CG1-CG1 4.48Å; V46-I257 HydrophobicContact CG2-CD1 4.08Å; V46-I257 HydrophobicContact CG2-CG1 3.64Å; V71-I257 HydrophobicContact CG2-CD1 4.11Å; V71-I257 HydrophobicContact CG2-CG2 3.67Å; R205-I257 CarbonylContact C-O 3.6Å; R205-I257 WeakPolarHBondContact CA-O 3.5Å; W206-I257 HydrophobicContact CB-CB 3.93Å; W206-I257 HydrophobicContact CB-CD1 4.37Å; W206-I257 HydrophobicContact CB-CG1 4.1Å; W206-I257 HydrophobicContact CG-CB 4.18Å; W206-I257 HydrophobicContact CG-CD1 4.44Å; W206-I257 PolarHBondContact N-O 3.21Å; W206-I257 PolarHBondContact O-N 2.94Å; W206-I257 VanDerWaalsContact O-N 3.16Å; L208-I257 HydrophobicContact CD1-CD1 3.73Å; L208-I257 HydrophobicContact CD1-CG1 3.94Å; I257-Q259 HydrophobicContact CG2-CB 4.42Å; I257-V265 HydrophobicContact CD1-CG1 3.92Å; I257-V265 HydrophobicContact CD1-CG2 4.09Å
258L98.8Very high98.2Very high40 Ų4031.6 Ų31.621%0.20917%0.173CC..EExtended strand (participates in β ladder)trans-96.490.3157.8179.163.4000108.1H39 V42 D44 R48 H203 G260H39-L258 HydrophobicContact CB-CD1 4.35Å; H39-L258 HydrophobicContact CB-CD2 3.9Å; V42-L258 HydrophobicContact CB-CB 4.35Å; V42-L258 HydrophobicContact CB-CD1 4.44Å; V42-L258 HydrophobicContact CG1-CB 3.82Å; V42-L258 HydrophobicContact CG1-CD1 4.38Å; V42-L258 HydrophobicContact CG2-CD1 4.33Å; D44-L258 PolarHBondContact OD2-N 3.3Å; R48-L258 PolarHBondContact NH2-O 3.36Å; H203-L258 HydrophobicContact CB-CD1 4.36Å; L258-G260 PolarHBondContact O-N 2.7Å
259Q98.8Very high98.2Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-74.8126178.9-172.3-172.812.300110N197 L199 H203 K204 I257 E263 V265N197-Q259 PolarHBondContact O-NE2 2.93Å; L199-Q259 HydrophobicContact CB-CG 4.05Å; L199-Q259 HydrophobicContact CD2-CB 4.09Å; L199-Q259 HydrophobicContact CD2-CG 3.74Å; L199-Q259 VanDerWaalsContact CD2-O 3.27Å; L199-Q259 WeakPolarHBondContact CD2-O 3.18Å; H203-Q259 VanDerWaalsContact CA-O 3.3Å; H203-Q259 WeakPolarHBondContact CA-O 3.32Å; K204-Q259 HydrophobicContact CB-CB 4.26Å; K204-Q259 PolarHBondContact N-O 3.34Å; K204-Q259 PolarHBondContact O-N 3.08Å; I257-Q259 HydrophobicContact CG2-CB 4.42Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.31Å; Q259-E263 HydrophobicContact CG-CB 3.94Å; Q259-E263 PolarHBondContact NE2-O 2.87Å; Q259-V265 HydrophobicContact CB-CG2 4.27Å; Q259-V265 HydrophobicContact CG-CG2 3.93Å
260G98.6Very high98.2Very high13 Ų1329 Ų2913%0.13416%0.159CC..PPolyproline II helixtrans-101.8173.2176.500000114.9L258 G262 E263L258-G260 PolarHBondContact O-N 2.7Å; G260-G262 PolarHBondContact O-N 3.25Å; G260-E263 PolarHBondContact N-OE2 2.86Å; G260-E263 WeakPolarHBondContact O-CB 3.39Å; G260-E263 PolarHBondContact O-N 2.9Å
261P98.5Very high98.3Very high68 Ų6827.8 Ų27.844%0.44214%0.141SC..THydrogen-bonded Turntrans-60.1130.5175.8-21.631.9000112.6G202G202-P261 WeakPolarHBondContact O-CD 3.48Å; G202-P261 WeakPolarHBondContact O-CG 3.39Å
262G98.5Very high98.4Very high22 Ų2222.5 Ų22.523%0.22712%0.115CC..THydrogen-bonded Turntrans91.7-14-177.300000114.7Q76 L199 G260Q76-G262 PolarHBondContact NE2-O 2.84Å; L199-G262 PolarHBondContact O-N 3.34Å; G260-G262 PolarHBondContact O-N 3.25Å
263E98.8Very high98.5Very high26 Ų2621.8 Ų21.812%0.12111%0.112CC..  trans-81.6142.9177.8-58.9-165.9134.100112.2R48 V71 L73 Q76 L199 Q259 G260R48-E263 IonicContact CZ-OE1 3.53Å; R48-E263 IonicContact CZ-OE2 3.13Å; R48-E263 IonicContact NE-OE1 3.58Å; R48-E263 PolarHBondContact NE-OE1 3.41Å; R48-E263 IonicContact NE-OE2 3.63Å; R48-E263 IonicContact NH2-OE1 3.55Å; R48-E263 IonicContact NH2-OE2 3.26Å; R48-E263 PolarHBondContact NH2-OE2 3.09Å; V71-E263 HydrophobicContact CG1-CB 3.85Å; V71-E263 HydrophobicContact CG1-CG 4.18Å; L73-E263 HydrophobicContact CD2-CG 3.89Å; L73-E263 WeakPolarHBondContact CD2-OE1 3.35Å; Q76-E263 PolarHBondContact NE2-O 2.77Å; Q76-E263 VanDerWaalsContact NE2-O 3.15Å; L199-E263 PolarHBondContact N-O 2.98Å; L199-E263 VanDerWaalsContact N-O 3.07Å; Q259-E263 WeakPolarHBondContact CA-OE2 3.31Å; Q259-E263 HydrophobicContact CG-CB 3.94Å; Q259-E263 PolarHBondContact NE2-O 2.87Å; G260-E263 PolarHBondContact N-OE2 2.86Å; G260-E263 WeakPolarHBondContact O-CB 3.39Å; G260-E263 PolarHBondContact O-N 2.9Å
264T98.9Very high98.6Very high0 Ų014.6 Ų14.60%09%0.085CC..EExtended strand (participates in β ladder)trans-121111.4176.1-60.20000110.4L72 C75 Q76 F156 W196 N197 A198L72-T264 WeakPolarHBondContact CB-O 3.48Å; L72-T264 PolarHBondContact N-O 3.2Å; L72-T264 PolarHBondContact O-N 3.12Å; C75-T264 WeakPolarHBondContact CB-OG1 3.5Å; Q76-T264 PolarHBondContact NE2-OG1 3.26Å; F156-T264 HydrophobicContact CE2-CG2 4.42Å; W196-T264 HydrophobicContact CB-CG2 4.3Å; W196-T264 HydrophobicContact CE3-CG2 4.21Å; N197-T264 WeakPolarHBondContact O-CA 3.29Å; A198-T264 HydrophobicContact CB-CG2 4.08Å; A198-T264 WeakPolarHBondContact CB-OG1 3.43Å
265V98.9Very high98.6Very high0 Ų014.6 Ų14.60%09%0.085CC..EExtended strand (participates in β ladder)trans-77.5132.1175.51770000109.5V71 W196 N197 W206 I257 Q259 V267V71-V265 HydrophobicContact CG2-CG2 4.35Å; W196-V265 CarbonylContact C-O 3.55Å; W196-V265 VanDerWaalsContact CA-O 3.29Å; W196-V265 WeakPolarHBondContact CA-O 3.41Å; N197-V265 PolarHBondContact N-O 3.08Å; N197-V265 PolarHBondContact O-N 2.87Å; W206-V265 HydrophobicContact CE3-CG1 4.5Å; W206-V265 HydrophobicContact CH2-CB 4.42Å; W206-V265 HydrophobicContact CH2-CG1 4.36Å; W206-V265 HydrophobicContact CZ2-CB 4.19Å; W206-V265 HydrophobicContact CZ2-CG1 4.46Å; W206-V265 HydrophobicContact CZ2-CG2 4.16Å; W206-V265 HydrophobicContact CZ3-CG1 4.37Å; I257-V265 HydrophobicContact CD1-CG1 3.92Å; I257-V265 HydrophobicContact CD1-CG2 4.09Å; Q259-V265 HydrophobicContact CB-CG2 4.27Å; Q259-V265 HydrophobicContact CG-CG2 3.93Å; V265-V267 HydrophobicContact CG1-CG2 3.97Å
266F98.9Very high98.6Very high0 Ų012.3 Ų12.30%07%0.073CC..EExtended strand (participates in β ladder)trans-95.7126.3164.5168.4-120.5000110.1F59 F63 E64 V70 F156 P268 F288F59-F266 HydrophobicContact CE2-CB 4.41Å; F59-F266 HydrophobicContact CE2-CD1 4.05Å; F59-F266 HydrophobicContact CE2-CG 4.16Å; F59-F266 HydrophobicContact CZ-CB 4.43Å; F59-F266 AromaticContact CZ-CD1 3.77Å; F59-F266 HydrophobicContact CZ-CD1 3.77Å; F59-F266 AromaticContact CZ-CD2 3.99Å; F59-F266 HydrophobicContact CZ-CD2 3.99Å; F59-F266 AromaticContact CZ-CE1 3.95Å; F59-F266 HydrophobicContact CZ-CE1 3.95Å; F59-F266 HydrophobicContact CZ-CE2 4.19Å; F59-F266 AromaticContact CZ-CG 3.79Å; F59-F266 HydrophobicContact CZ-CG 3.79Å; F59-F266 HydrophobicContact CZ-CZ 4.17Å; F63-F266 HydrophobicContact CB-CD1 4.32Å; F63-F266 HydrophobicContact CB-CE1 4.31Å; E64-F266 HydrophobicContact CB-CZ 4.29Å; E64-F266 HydrophobicContact CG-CZ 3.92Å; V70-F266 HydrophobicContact CG1-CB 3.98Å; V70-F266 HydrophobicContact CG1-CD1 4.13Å; V70-F266 PolarHBondContact O-N 3.47Å; F156-F266 AromaticContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CD2 3.84Å; F156-F266 HydrophobicContact CE1-CE2 4.44Å; F156-F266 HydrophobicContact CE1-CG 4.45Å; F156-F266 HydrophobicContact CZ-CB 4.38Å; F156-F266 HydrophobicContact CZ-CD2 4.36Å; F266-P268 HydrophobicContact CD1-CG 4.22Å; F266-P268 HydrophobicContact CE1-CB 4.12Å; F266-P268 HydrophobicContact CE1-CG 3.66Å; F266-P268 HydrophobicContact CZ-CB 3.97Å; F266-P268 HydrophobicContact CZ-CG 4.01Å; F266-F288 HydrophobicContact CD2-CE1 4.46Å; F266-F288 HydrophobicContact CD2-CZ 4.35Å; F266-F288 HydrophobicContact CE2-CE1 4.22Å; F266-F288 AromaticContact CE2-CZ 3.82Å; F266-F288 HydrophobicContact CE2-CZ 3.82Å
267V98.8Very high98.6Very high2 Ų212 Ų121%0.0127%0.072CC..EExtended strand (participates in β ladder)trans-112.7108.5176.7-1750000108.3S194 A195 W206 L208 V265 W271S194-V267 CarbonylContact C-O 3.5Å; S194-V267 WeakPolarHBondContact CA-O 3.23Å; S194-V267 WeakPolarHBondContact CB-O 3.13Å; A195-V267 HydrophobicContact CB-CB 4.36Å; A195-V267 PolarHBondContact N-O 3.39Å; A195-V267 PolarHBondContact O-N 3.23Å; W206-V267 HydrophobicContact CH2-CG2 4.36Å; W206-V267 HydrophobicContact CZ3-CG2 3.87Å; L208-V267 HydrophobicContact CD2-CG2 4.48Å; V265-V267 HydrophobicContact CG1-CG2 3.97Å; V267-W271 HydrophobicContact CG1-CB 4.37Å
268P98.5Very high98.6Very high1 Ų112.2 Ų12.21%0.0067%0.073CC..  trans-70.1141.1174.6-7.121.3000110.7Y67 P69 F266 G270 W271Y67-P268 VanDerWaalsContact C-CG 3.49Å; Y67-P268 HydrophobicContact CD1-CB 3.72Å; Y67-P268 HydrophobicContact CG-CB 4.19Å; Y67-P268 WeakPolarHBondContact O-CG 3.29Å; P69-P268 HydrophobicContact CG-CG 4.06Å; F266-P268 HydrophobicContact CD1-CG 4.22Å; F266-P268 HydrophobicContact CE1-CB 4.12Å; F266-P268 HydrophobicContact CE1-CG 3.66Å; F266-P268 HydrophobicContact CZ-CB 3.97Å; F266-P268 HydrophobicContact CZ-CG 4.01Å; P268-G270 PolarHBondContact O-N 2.79Å; P268-W271 PolarHBondContact O-N 3.34Å
269G97.8Very high98.6Very high2 Ų212.5 Ų12.52%0.0217%0.074CC..THydrogen-bonded Turntrans-56.5132.917900000112.6Y67 T193 S194Y67-G269 VanDerWaalsContact CD1-O 3.28Å; Y67-G269 WeakPolarHBondContact CD1-O 3.24Å; Y67-G269 WeakPolarHBondContact CE1-O 3.41Å; T193-G269 WeakPolarHBondContact O-CA 3.46Å; S194-G269 PolarHBondContact OG-N 3.44Å; S194-G269 VanDerWaalsContact OG-N 3.11Å
270G97.1Very high98.6Very high2 Ų215 Ų152%0.0219%0.09CC..THydrogen-bonded Turntrans102.1-17.4-174.500000115.2T211 P268 W272T211-G270 WeakPolarHBondContact CA-O 3.29Å; T211-G270 WeakPolarHBondContact CB-O 3.4Å; T211-G270 PolarHBondContact OG1-O 3Å; P268-G270 PolarHBondContact O-N 2.79Å; G270-W272 PolarHBondContact O-N 3.2Å
271W98.6Very high98.6Very high42 Ų4214.4 Ų14.416%0.1598%0.084CC..  trans-74.3122.1175.2-77.578.2000111.3Y67 P69 L208 P210 L255 V267 P268 H273Y67-W271 PolarHBondContact O-NE1 3.19Å; P69-W271 VanDerWaalsContact CD-CZ2 3.49Å; P69-W271 HydrophobicContact CG-CD2 3.66Å; P69-W271 HydrophobicContact CG-CE3 3.95Å; P69-W271 HydrophobicContact CG-CG 4.15Å; P69-W271 HydrophobicContact CG-CH2 4.17Å; P69-W271 HydrophobicContact CG-CZ2 3.89Å; P69-W271 HydrophobicContact CG-CZ3 4.2Å; L208-W271 HydrophobicContact CB-CE3 3.91Å; L208-W271 HydrophobicContact CB-CZ3 4.44Å; P210-W271 HydrophobicContact CB-CH2 4.23Å; P210-W271 HydrophobicContact CB-CZ2 4.44Å; P210-W271 HydrophobicContact CB-CZ3 4.35Å; L255-W271 HydrophobicContact CD1-CH2 3.64Å; L255-W271 HydrophobicContact CD1-CZ3 3.62Å; L255-W271 HydrophobicContact CG-CH2 4.39Å; L255-W271 HydrophobicContact CG-CZ3 4.13Å; V267-W271 HydrophobicContact CG1-CB 4.37Å; P268-W271 PolarHBondContact O-N 3.34Å; W271-H273 PolarHBondContact O-N 2.62Å; W271-H273 PolarHBondContact O-ND1 2.82Å
272W98.8Very high98.6Very high18 Ų1811.3 Ų11.37%0.0686%0.063CC..EExtended strand (participates in β ladder)trans-61.7130.5164.4-71.9106.2000107.9I186 H187 I188 L208 F209 R215 I218 G270I186-W272 HydrophobicContact CD1-CB 4.27Å; I186-W272 HydrophobicContact CG1-CB 4.18Å; I186-W272 HydrophobicContact CG1-CE3 4.19Å; H187-W272 CarbonylContact O-C 3.51Å; H187-W272 WeakPolarHBondContact O-CA 3.17Å; I188-W272 HydrophobicContact CD1-CD2 3.63Å; I188-W272 HydrophobicContact CD1-CE3 4.08Å; I188-W272 HydrophobicContact CD1-CG 3.95Å; I188-W272 HydrophobicContact CD1-CH2 4.34Å; I188-W272 HydrophobicContact CD1-CZ2 3.95Å; I188-W272 HydrophobicContact CD1-CZ3 4.4Å; I188-W272 HydrophobicContact CG1-CB 4.36Å; I188-W272 HydrophobicContact CG1-CD2 3.56Å; I188-W272 HydrophobicContact CG1-CE3 3.63Å; I188-W272 HydrophobicContact CG1-CG 3.87Å; I188-W272 HydrophobicContact CG1-CZ3 4.12Å; L208-W272 CarbonylContact C-O 3.52Å; L208-W272 WeakPolarHBondContact CA-O 3Å; F209-W272 HydrophobicContact CB-CB 4.14Å; F209-W272 PolarHBondContact N-O 2.97Å; F209-W272 PolarHBondContact O-N 2.9Å; R215-W272 HydrophobicContact CB-CZ2 4.28Å; R215-W272 HydrophobicContact CG-CH2 4.24Å; R215-W272 HydrophobicContact CG-CZ2 4.27Å; I218-W272 HydrophobicContact CD1-CB 3.98Å; I218-W272 VanDerWaalsContact CD1-CD1 3.48Å; I218-W272 HydrophobicContact CD1-CD2 3.69Å; I218-W272 HydrophobicContact CD1-CE3 4.44Å; I218-W272 HydrophobicContact CD1-CG 3.47Å; I218-W272 VanDerWaalsContact CD1-CG 3.47Å; G270-W272 PolarHBondContact O-N 3.2Å
273H98.9Very high98.6Very high10 Ų1010.2 Ų10.25%0.0465%0.052CC..EExtended strand (participates in β ladder)trans-145.9146.4176.266.3-81.3000112.7I186 H187 D189 W206 C207 L208 W271I186-H273 WeakPolarHBondContact CA-O 3.39Å; H187-H273 AromaticContact CE1-CD2 3.72Å; H187-H273 AromaticContact CE1-CE1 3.7Å; H187-H273 AromaticContact CE1-NE2 3.2Å; H187-H273 PolarHBondContact CE1-NE2 2.95Å; H187-H273 PolarHBondContact N-O 3.01Å; H187-H273 VanDerWaalsContact N-O 3.09Å; H187-H273 AromaticContact ND1-NE2 3.91Å; H187-H273 PolarHBondContact ND1-O 2.76Å; H187-H273 AromaticContact NE2-NE2 3.73Å; H187-H273 PolarHBondContact O-N 2.91Å; D189-H273 IonicContact OD2-CE1 3.79Å; D189-H273 PolarHBondContact OD2-CE1 3.37Å; W206-H273 AromaticContact CZ3-CD2 3.77Å; C207-H273 WeakPolarHBondContact O-CA 3.43Å; L208-H273 HydrophobicContact CB-CB 4.48Å; L208-H273 HydrophobicContact CD2-CB 4.06Å; L208-H273 HydrophobicContact CG-CB 3.9Å; W271-H273 PolarHBondContact O-N 2.62Å; W271-H273 PolarHBondContact O-ND1 2.82Å
274V98.8Very high98.6Very high0 Ų09 Ų90%05%0.047CC..EExtended strand (participates in β ladder)trans-134.2138.7-179.956.70000109I186 W206 C207 A232 W235 F236I186-V274 HydrophobicContact CB-CB 3.9Å; I186-V274 HydrophobicContact CB-CG2 4.48Å; I186-V274 HydrophobicContact CG1-CB 4.2Å; W206-V274 WeakPolarHBondContact CA-O 3.36Å; C207-V274 HydrophobicContact CB-CG1 3.79Å; C207-V274 PolarHBondContact N-O 2.56Å; C207-V274 PolarHBondContact O-N 3.34Å; C207-V274 VanDerWaalsContact O-N 3.08Å; A232-V274 HydrophobicContact CB-CG2 4.28Å; W235-V274 HydrophobicContact CB-CG2 4.14Å; W235-V274 HydrophobicContact CD2-CB 4.35Å; W235-V274 HydrophobicContact CD2-CG1 3.81Å; W235-V274 HydrophobicContact CD2-CG2 4.08Å; W235-V274 HydrophobicContact CE3-CB 4.39Å; W235-V274 HydrophobicContact CE3-CG1 3.54Å; W235-V274 HydrophobicContact CE3-CG2 4.08Å; W235-V274 HydrophobicContact CG-CG2 4.08Å; W235-V274 HydrophobicContact CH2-CG1 4Å; W235-V274 HydrophobicContact CZ2-CG1 4.24Å; W235-V274 HydrophobicContact CZ3-CG1 3.63Å; F236-V274 HydrophobicContact CD2-CG2 4.41Å; F236-V274 HydrophobicContact CE2-CG1 4.22Å; F236-V274 HydrophobicContact CE2-CG2 4.01Å; F236-V274 HydrophobicContact CZ-CG1 4.26Å
275V98.9Very high98.6Very high7 Ų79.5 Ų9.54%0.0425%0.05CC..EExtended strand (participates in β ladder)trans-135.7120.4-168.9-165.20000111G183 T184 K204 R205 W206 A232G183-V275 CarbonylContact C-O 3.59Å; G183-V275 WeakPolarHBondContact CA-O 3.44Å; T184-V275 PolarHBondContact N-O 2.79Å; T184-V275 PolarHBondContact O-N 3.21Å; K204-V275 HydrophobicContact CB-CG1 4.02Å; K204-V275 HydrophobicContact CD-CG1 3.99Å; K204-V275 HydrophobicContact CG-CG1 4.28Å; R205-V275 WeakPolarHBondContact O-CA 3.36Å; W206-V275 HydrophobicContact CD2-CG1 4.11Å; W206-V275 HydrophobicContact CD2-CG2 3.81Å; W206-V275 HydrophobicContact CE3-CG2 3.47Å; W206-V275 VanDerWaalsContact CE3-CG2 3.47Å; W206-V275 HydrophobicContact CG-CG1 4.49Å; W206-V275 HydrophobicContact CH2-CG2 3.85Å; W206-V275 HydrophobicContact CZ2-CG1 4.1Å; W206-V275 HydrophobicContact CZ2-CG2 4.17Å; W206-V275 HydrophobicContact CZ3-CG2 3.49Å; W206-V275 VanDerWaalsContact CZ3-CG2 3.49Å; A232-V275 WeakPolarHBondContact CB-O 3.37Å
276L98.8Very high98.6Very high0 Ų010.1 Ų10.10%05%0.053CC..EExtended strand (participates in β ladder)trans-112.2134.9176.1-172.368.7000110.5F35 R181 K204 R205 A232 I233 F236 M278F35-L276 HydrophobicContact CE1-CD2 3.72Å; F35-L276 HydrophobicContact CZ-CD2 4.01Å; R181-L276 VanDerWaalsContact O-CD1 3.27Å; R181-L276 WeakPolarHBondContact O-CD1 3.36Å; K204-L276 CarbonylContact C-O 3.57Å; K204-L276 WeakPolarHBondContact CA-O 3.42Å; R205-L276 HydrophobicContact CB-CB 4.48Å; R205-L276 PolarHBondContact N-O 2.95Å; R205-L276 PolarHBondContact O-N 2.88Å; A232-L276 HydrophobicContact CB-CD1 4.09Å; I233-L276 HydrophobicContact CB-CD1 3.94Å; F236-L276 HydrophobicContact CB-CD2 4.37Å; F236-L276 HydrophobicContact CD2-CB 3.67Å; F236-L276 HydrophobicContact CD2-CD2 3.96Å; F236-L276 HydrophobicContact CD2-CG 4.33Å; F236-L276 HydrophobicContact CE2-CB 3.58Å; F236-L276 HydrophobicContact CG-CD2 4.25Å; F236-L276 HydrophobicContact CZ-CB 4.5Å; L276-M278 HydrophobicContact CD2-SD 4.19Å; L276-M278 HydrophobicContact CG-SD 4.46Å
277N98.8Very high98.6Very high0 Ų010.7 Ų10.70%06%0.056CC..EExtended strand (participates in β ladder)trans-81.8123.9170.6-61.1-23.7000109.4Y131 P179 A180 R181 S182 K204 T281Y131-N277 WeakPolarHBondContact CE2-ND2 3.41Å; Y131-N277 PolarHBondContact OH-OD1 2.97Å; P179-N277 WeakPolarHBondContact O-CB 3.44Å; P179-N277 PolarHBondContact O-ND2 3.17Å; A180-N277 CarbonylContact C-O 3.57Å; A180-N277 WeakPolarHBondContact CA-O 3.34Å; R181-N277 PolarHBondContact N-O 2.76Å; S182-N277 WeakPolarHBondContact O-CB 3.42Å; S182-N277 PolarHBondContact O-N 2.72Å; S182-N277 PolarHBondContact O-ND2 2.71Å; S182-N277 VanDerWaalsContact O-ND2 3.15Å; S182-N277 PolarHBondContact OG-ND2 3.03Å; K204-N277 PolarHBondContact NZ-OD1 2.98Å; N277-T281 HydrophobicContact CB-CG2 3.81Å; N277-T281 PolarHBondContact ND2-OG1 3.29Å; N277-T281 PolarHBondContact OD1-OG1 2.73Å; N277-T281 VanDerWaalsContact OD1-OG1 3.13Å
278M98.2Very high98.6Very high4 Ų410.8 Ų10.82%0.026%0.056CC..SBendtrans-83.7-30.4177.6-53.1-56.6-80.900111.1V37 S38 V42 A180 H203 R205 L276V37-M278 HydrophobicContact CB-CE 4.47Å; V37-M278 WeakPolarHBondContact CB-O 3.45Å; S38-M278 WeakPolarHBondContact O-CE 3.38Å; V42-M278 HydrophobicContact CG2-CE 3.82Å; A180-M278 VanDerWaalsContact CB-O 3.25Å; A180-M278 WeakPolarHBondContact CB-O 3.05Å; H203-M278 HydrophobicContact CB-CB 4.36Å; H203-M278 PolarHBondContact O-N 2.87Å; R205-M278 HydrophobicContact CB-CG 4.12Å; R205-M278 HydrophobicContact CB-SD 3.58Å; R205-M278 VanDerWaalsContact CB-SD 3.58Å; L276-M278 HydrophobicContact CD2-SD 4.19Å; L276-M278 HydrophobicContact CG-SD 4.46Å
279D98.2Very high98.6Very high45 Ų4510.8 Ų10.824%0.2416%0.056CC..SBendtrans-140.2-157.9-179.964.112000111.3P179 A180 G202 H203 T281P179-D279 CarbonylContact C-O 3.48Å; A180-D279 PolarHBondContact N-O 2.91Å; G202-D279 VanDerWaalsContact C-OD1 3.32Å; G202-D279 WeakPolarHBondContact CA-OD1 3.35Å; G202-D279 WeakPolarHBondContact CA-OD2 3.22Å; H203-D279 IonicContact CE1-OD2 3.01Å; H203-D279 IonicContact CG-OD2 3.01Å; H203-D279 PolarHBondContact N-OD1 3.27Å; H203-D279 PolarHBondContact N-OD2 2.86Å; H203-D279 IonicContact ND1-OD2 3.19Å; H203-D279 PolarHBondContact ND1-OD2 3.07Å; D279-T281 PolarHBondContact O-N 3.25Å; D279-T281 VanDerWaalsContact O-N 3.12Å
280T98.5Very high98.6Very high54 Ų5410.9 Ų10.933%0.3316%0.056SC..SBendtrans-75.797.1175.3-62.90000111.1M87 L121 G178M87-T280 HydrophobicContact CE-CG2 4.44Å; M87-T280 HydrophobicContact CG-CG2 4.09Å; M87-T280 HydrophobicContact SD-CG2 3.57Å; M87-T280 VanDerWaalsContact SD-CG2 3.57Å; L121-T280 HydrophobicContact CD1-CG2 4.21Å; L121-T280 HydrophobicContact CD2-CG2 3.85Å; G178-T280 CarbonylContact O-C 3.4Å; G178-T280 WeakPolarHBondContact O-CA 3.38Å
281T98.9Very high98.6Very high0 Ų013.5 Ų13.50%07%0.072CC..EExtended strand (participates in β ladder)trans-91.1144-178.671.20000113.4M177 G178 L199 Q201 H203 K204 N277 D279M177-T281 WeakPolarHBondContact CA-O 3.4Å; G178-T281 PolarHBondContact N-O 3.05Å; G178-T281 VanDerWaalsContact N-O 3.07Å; G178-T281 PolarHBondContact O-N 3.45Å; L199-T281 HydrophobicContact CD1-CG2 4.47Å; Q201-T281 CarbonylContact O-C 3.59Å; Q201-T281 VanDerWaalsContact O-CA 3.27Å; Q201-T281 WeakPolarHBondContact O-CA 3.31Å; H203-T281 VanDerWaalsContact O-CG2 3.27Å; H203-T281 WeakPolarHBondContact O-CG2 3.16Å; K204-T281 HydrophobicContact CG-CG2 3.89Å; K204-T281 PolarHBondContact NZ-OG1 2.87Å; N277-T281 HydrophobicContact CB-CG2 3.81Å; N277-T281 PolarHBondContact ND2-OG1 3.29Å; N277-T281 PolarHBondContact OD1-OG1 2.73Å; N277-T281 VanDerWaalsContact OD1-OG1 3.13Å; D279-T281 PolarHBondContact O-N 3.25Å; D279-T281 VanDerWaalsContact O-N 3.12Å
282I98.9Very high98.6Very high2 Ų212.9 Ų12.91%0.017%0.073CC..EExtended strand (participates in β ladder)trans-134.7123.6165.7-53.2165.9000108.3W85 L90 F175 M177 V200 Q201W85-I282 HydrophobicContact CB-CG2 4.22Å; W85-I282 HydrophobicContact CD2-CG2 4.47Å; W85-I282 HydrophobicContact CE3-CG2 3.89Å; W85-I282 WeakPolarHBondContact O-CD1 3.3Å; L90-I282 HydrophobicContact CD1-CD1 3.83Å; L90-I282 HydrophobicContact CD1-CG2 4.44Å; F175-I282 HydrophobicContact CE2-CG2 3.78Å; F175-I282 HydrophobicContact CZ-CG2 3.81Å; M177-I282 HydrophobicContact CE-CD1 4.39Å; M177-I282 HydrophobicContact CE-CG1 4.47Å; M177-I282 HydrophobicContact CG-CG1 4.07Å; V200-I282 PolarHBondContact N-O 3.22Å; Q201-I282 HydrophobicContact CB-CB 4.1Å; Q201-I282 HydrophobicContact CB-CD1 4.27Å; Q201-I282 HydrophobicContact CB-CG1 4.3Å; Q201-I282 HydrophobicContact CG-CD1 4.25Å; Q201-I282 PolarHBondContact N-O 3.02Å; Q201-I282 VanDerWaalsContact N-O 3.12Å; Q201-I282 PolarHBondContact O-N 3.12Å
283A98.9Very high98.5Very high0 Ų012 Ų120%07%0.07CC..EExtended strand (participates in β ladder)trans-144.2164.9-173.500000112.3V176 A198 L199V176-A283 HydrophobicContact CB-CB 4.45Å; V176-A283 PolarHBondContact N-O 2.71Å; V176-A283 PolarHBondContact O-N 2.91Å; A198-A283 VanDerWaalsContact O-CA 3.3Å; A198-A283 WeakPolarHBondContact O-CA 3.39Å; A198-A283 WeakPolarHBondContact O-CB 3.5Å; L199-A283 HydrophobicContact CD1-CB 4.02Å
284I98.9Very high98.5Very high0 Ų011.6 Ų11.60%07%0.067CC..EExtended strand (participates in β ladder)trans-126.7129.4166.5-173.978.8000108.5W79 W85 Y137 Y150 W174 F175 W196 A198W79-I284 HydrophobicContact CH2-CG2 3.68Å; W79-I284 HydrophobicContact CZ3-CG2 3.52Å; W85-I284 HydrophobicContact CH2-CB 3.98Å; W85-I284 HydrophobicContact CH2-CG2 4.26Å; W85-I284 HydrophobicContact CZ3-CB 4.01Å; W85-I284 HydrophobicContact CZ3-CG2 4.22Å; Y137-I284 HydrophobicContact CE1-CD1 4.27Å; Y137-I284 HydrophobicContact CE2-CD1 4.46Å; Y137-I284 VanDerWaalsContact OH-CD1 3.22Å; Y137-I284 WeakPolarHBondContact OH-CD1 3.3Å; Y150-I284 HydrophobicContact CD1-CG1 4.45Å; Y150-I284 HydrophobicContact CD2-CG2 4.36Å; Y150-I284 HydrophobicContact CE1-CD1 3.98Å; Y150-I284 HydrophobicContact CE1-CG1 4Å; Y150-I284 HydrophobicContact CE2-CG1 4.11Å; Y150-I284 HydrophobicContact CG-CG2 4.4Å; W174-I284 WeakPolarHBondContact O-CD1 3.42Å; F175-I284 HydrophobicContact CB-CD1 4.46Å; W196-I284 HydrophobicContact CZ3-CG2 4.12Å; A198-I284 HydrophobicContact CB-CG2 4Å; A198-I284 PolarHBondContact N-O 3.1Å; A198-I284 PolarHBondContact O-N 2.9Å
285T98.8Very high98.4Very high11 Ų1113.4 Ų13.47%0.0678%0.079CC..EExtended strand (participates in β ladder)trans-125.8143.2177.7-165.30000110.2F133 R173 W174 V176 W196F133-T285 HydrophobicContact CZ-CG2 4.48Å; R173-T285 WeakPolarHBondContact CA-O 3.15Å; W174-T285 HydrophobicContact CB-CG2 4.15Å; W174-T285 HydrophobicContact CE3-CG2 4.06Å; W174-T285 PolarHBondContact N-O 3.39Å; W174-T285 PolarHBondContact O-N 2.78Å; V176-T285 HydrophobicContact CG2-CG2 3.94Å; W196-T285 CarbonylContact O-C 3.6Å; W196-T285 VanDerWaalsContact O-CA 3.25Å; W196-T285 WeakPolarHBondContact O-CA 3.41Å; W196-T285 PolarHBondContact O-OG1 3Å; W196-T285 VanDerWaalsContact O-OG1 3.09Å
286Q98.8Very high98.4Very high13 Ų1314.3 Ų14.36%0.0618%0.084CC..EExtended strand (participates in β ladder)trans-139.6142.6175.4-52.1-164.545.200112.1Y150 Y172 R173 A195 W196Y150-Q286 VanDerWaalsContact CE2-NE2 3.35Å; Y150-Q286 PolarHBondContact OH-NE2 2.78Å; Y172-Q286 CarbonylContact O-C 3.16Å; Y172-Q286 WeakPolarHBondContact O-CA 3.34Å; Y172-Q286 VanDerWaalsContact O-CB 3.28Å; Y172-Q286 WeakPolarHBondContact O-CB 3.13Å; R173-Q286 HydrophobicContact CB-CB 4.31Å; R173-Q286 HydrophobicContact CB-CG 3.55Å; A195-Q286 CarbonylContact C-O 3.55Å; A195-Q286 VanDerWaalsContact CA-O 3.27Å; A195-Q286 WeakPolarHBondContact CA-O 3.39Å; W196-Q286 HydrophobicContact CD2-CB 4.47Å; W196-Q286 HydrophobicContact CH2-CG 3.98Å; W196-Q286 HydrophobicContact CZ2-CB 3.87Å; W196-Q286 HydrophobicContact CZ2-CG 3.58Å; W196-Q286 PolarHBondContact N-O 3.05Å; W196-Q286 PolarHBondContact O-N 2.66Å
287N98.6Very high98.3Very high12 Ų1214.3 Ų14.36%0.0648%0.084CC..EExtended strand (participates in β ladder)trans-100.1135.1174-71.748.9000108.8Y172 W174 D189 T193 S194Y172-N287 PolarHBondContact O-N 2.67Å; W174-N287 HydrophobicContact CH2-CB 4.28Å; W174-N287 HydrophobicContact CZ3-CB 4.13Å; W174-N287 WeakPolarHBondContact CZ3-OD1 3.41Å; D189-N287 PolarHBondContact OD1-ND2 3.45Å; T193-N287 PolarHBondContact OG1-ND2 2.62Å; T193-N287 VanDerWaalsContact OG1-ND2 3.1Å; S194-N287 CarbonylContact O-C 3.52Å; S194-N287 WeakPolarHBondContact O-CA 3.26Å
288F98.6Very high98.3Very high4 Ų415.3 Ų15.32%0.0189%0.088CC..EExtended strand (participates in β ladder)trans-135.8148.6-174.368.8-77.6000112.3E64 F156 S194 W196 F266 N293E64-F288 WeakPolarHBondContact OE1-CE2 3.4Å; F156-F288 HydrophobicContact CB-CD1 4.48Å; F156-F288 HydrophobicContact CD1-CD1 4.42Å; F156-F288 AromaticContact CD1-CE1 3.64Å; F156-F288 HydrophobicContact CD1-CE1 3.64Å; F156-F288 AromaticContact CD1-CE2 3.99Å; F156-F288 HydrophobicContact CD1-CE2 3.99Å; F156-F288 AromaticContact CD1-CZ 3.39Å; F156-F288 HydrophobicContact CD1-CZ 3.39Å; F156-F288 HydrophobicContact CE1-CE1 4.17Å; F156-F288 AromaticContact CE1-CZ 3.94Å; F156-F288 HydrophobicContact CE1-CZ 3.94Å; F156-F288 HydrophobicContact CG-CE1 4.27Å; F156-F288 HydrophobicContact CG-CZ 4.32Å; S194-F288 PolarHBondContact N-O 3.32Å; S194-F288 WeakPolarHBondContact O-CD1 3.2Å; S194-F288 PolarHBondContact O-N 2.91Å; W196-F288 AromaticContact CD1-CD1 3.78Å; W196-F288 AromaticContact CD1-CE1 3.95Å; F266-F288 HydrophobicContact CD2-CE1 4.46Å; F266-F288 HydrophobicContact CD2-CZ 4.35Å; F266-F288 HydrophobicContact CE2-CE1 4.22Å; F266-F288 AromaticContact CE2-CZ 3.82Å; F266-F288 HydrophobicContact CE2-CZ 3.82Å; F288-N293 PolarHBondContact O-ND2 3.23Å; F288-N293 VanDerWaalsContact O-ND2 3.07Å
289A98.6Very high98.2Very high0 Ų015.7 Ų15.70%09%0.089CC..  trans-100.1130.4163.300000107.9D159 L160 F161 N293 V297 W312D159-A289 CarbonylContact C-O 2.85Å; D159-A289 WeakPolarHBondContact CA-O 3.37Å; D159-A289 PolarHBondContact N-O 3.07Å; L160-A289 HydrophobicContact CB-CB 3.95Å; L160-A289 PolarHBondContact N-O 3.32Å; F161-A289 HydrophobicContact CD2-CB 3.84Å; F161-A289 HydrophobicContact CE2-CB 4.2Å; A289-N293 VanDerWaalsContact CA-OD1 3.29Å; A289-N293 WeakPolarHBondContact CA-OD1 3.32Å; A289-V297 HydrophobicContact CB-CG1 4.08Å; A289-V297 HydrophobicContact CB-CG2 4.42Å; A289-W312 HydrophobicContact CB-CH2 4.39Å; A289-W312 HydrophobicContact CB-CZ2 4.4Å
290S98.3Very high98.1Very high4 Ų415.4 Ų15.43%0.0289%0.086CC..  trans-123.8164.6178.563.70000110.6E64 T292 N293 F294E64-S290 WeakPolarHBondContact OE1-CB 3.49Å; E64-S290 PolarHBondContact OE1-OG 2.92Å; S290-T292 PolarHBondContact O-N 3.24Å; S290-T292 VanDerWaalsContact O-N 3.11Å; S290-N293 PolarHBondContact N-OD1 2.73Å; S290-N293 PolarHBondContact O-N 2.9Å; S290-N293 PolarHBondContact O-OD1 3.47Å; S290-N293 PolarHBondContact OG-N 2.98Å; S290-F294 WeakPolarHBondContact O-CA 3.29Å; S290-F294 VanDerWaalsContact O-CB 3.24Å; S290-F294 WeakPolarHBondContact O-CB 3.46Å; S290-F294 PolarHBondContact O-N 3.27Å
291T97.4Very high98Very high57 Ų5712.8 Ų12.835%0.357%0.07SC..THydrogen-bonded Turntrans-51-33.3173.2-62.90000111.9D158 R320 M323D158-T291 VanDerWaalsContact OD2-CB 3.3Å; D158-T291 WeakPolarHBondContact OD2-CB 3.34Å; D158-T291 PolarHBondContact OD2-N 2.83Å; D158-T291 PolarHBondContact OD2-OG1 2.83Å; T291-R320 PolarHBondContact OG1-NH2 3.48Å; T291-R320 VanDerWaalsContact OG1-NH2 3.08Å; T291-M323 HydrophobicContact CG2-CE 3.71Å; T291-M323 HydrophobicContact CG2-SD 4.34Å
292T97.6Very high97.9Very high30 Ų3014.1 Ų14.118%0.1848%0.078CC..THydrogen-bonded Turntrans-72-51.8176.9-550000113E64 R65 S290 P295E64-T292 HydrophobicContact CB-CG2 4.46Å; E64-T292 HydrophobicContact CG-CG2 4Å; E64-T292 WeakPolarHBondContact OE2-CB 3.48Å; E64-T292 PolarHBondContact OE2-OG1 3.04Å; R65-T292 HydrophobicContact CB-CG2 4.27Å; S290-T292 PolarHBondContact O-N 3.24Å; S290-T292 VanDerWaalsContact O-N 3.11Å; T292-P295 WeakPolarHBondContact O-CD 3.24Å
293N97.8Very high97.6Very high0 Ų021.4 Ų21.40%011%0.105CC..THydrogen-bonded Turntrans-85.8-8-175.975.315.2000114.2Y67 S194 F288 A289 S290 P295 I296 V297Y67-N293 WeakPolarHBondContact OH-CA 3.44Å; Y67-N293 WeakPolarHBondContact OH-CB 3.1Å; S194-N293 PolarHBondContact N-ND2 2.97Å; S194-N293 VanDerWaalsContact N-ND2 3.19Å; S194-N293 PolarHBondContact OG-ND2 2.85Å; F288-N293 PolarHBondContact O-ND2 3.23Å; F288-N293 VanDerWaalsContact O-ND2 3.07Å; A289-N293 VanDerWaalsContact CA-OD1 3.29Å; A289-N293 WeakPolarHBondContact CA-OD1 3.32Å; S290-N293 PolarHBondContact N-OD1 2.73Å; S290-N293 PolarHBondContact O-N 2.9Å; S290-N293 PolarHBondContact O-OD1 3.47Å; S290-N293 PolarHBondContact OG-N 2.98Å; N293-P295 VanDerWaalsContact C-CD 3.41Å; N293-I296 PolarHBondContact O-N 3.25Å; N293-I296 VanDerWaalsContact O-N 3.12Å; N293-V297 HydrophobicContact CB-CG2 4.35Å; N293-V297 WeakPolarHBondContact O-CG2 3.4Å; N293-V297 PolarHBondContact O-N 3.22Å; N293-V297 WeakPolarHBondContact OD1-CG2 3.13Å
294F98.3Very high97.4Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-50.3-40.8-175.5-176.6-99.4000115.3L160 S290 I296 V297 W298 W312 L316 M323 L326 A327L160-F294 HydrophobicContact CD1-CB 3.98Å; L160-F294 HydrophobicContact CD1-CD2 3.64Å; L160-F294 HydrophobicContact CD1-CE2 4.5Å; L160-F294 HydrophobicContact CD1-CG 4.06Å; S290-F294 WeakPolarHBondContact O-CA 3.29Å; S290-F294 VanDerWaalsContact O-CB 3.24Å; S290-F294 WeakPolarHBondContact O-CB 3.46Å; S290-F294 PolarHBondContact O-N 3.27Å; F294-I296 VanDerWaalsContact C-N 3.34Å; F294-I296 PolarHBondContact O-N 3.24Å; F294-V297 PolarHBondContact O-N 3.28Å; F294-W298 HydrophobicContact CD1-CB 4.45Å; F294-W298 HydrophobicContact CE1-CB 4.08Å; F294-W298 HydrophobicContact CE1-CG 4.38Å; F294-W298 HydrophobicContact CE2-CB 4.4Å; F294-W298 HydrophobicContact CZ-CB 4.06Å; F294-W298 HydrophobicContact CZ-CD2 4.43Å; F294-W298 HydrophobicContact CZ-CE3 4.36Å; F294-W298 HydrophobicContact CZ-CG 4.3Å; F294-W298 WeakPolarHBondContact O-CB 2.94Å; F294-W298 PolarHBondContact O-N 3.03Å; F294-W312 AromaticContact CD2-CH2 3.98Å; F294-W312 HydrophobicContact CD2-CH2 3.98Å; F294-W312 HydrophobicContact CD2-CZ2 4.11Å; F294-W312 AromaticContact CE2-CH2 3.68Å; F294-W312 HydrophobicContact CE2-CH2 3.68Å; F294-W312 AromaticContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ3 4.24Å; F294-L316 HydrophobicContact CE2-CD1 3.67Å; F294-L316 HydrophobicContact CZ-CD1 3.65Å; F294-M323 HydrophobicContact CB-SD 4.2Å; F294-M323 HydrophobicContact CD1-SD 4.11Å; F294-M323 HydrophobicContact CE1-CB 4.33Å; F294-M323 WeakPolarHBondContact CE1-O 3.43Å; F294-M323 HydrophobicContact CG-SD 4.02Å; F294-M323 HydrophobicContact CZ-CB 4.33Å; F294-L326 HydrophobicContact CD1-CB 4.3Å; F294-L326 HydrophobicContact CD1-CD2 3.9Å; F294-L326 HydrophobicContact CD1-CG 4.04Å; F294-L326 HydrophobicContact CE1-CB 4.4Å; F294-A327 HydrophobicContact CE1-CB 3.81Å; F294-A327 HydrophobicContact CZ-CB 4Å
295P97.5Very high97.3Very high39 Ų3929.1 Ų29.125%0.25315%0.152SC..Hα-helixtrans-57.1-44.9178.5-2736.6000113.2T292 N293 H299 L326 V330T292-P295 WeakPolarHBondContact O-CD 3.24Å; N293-P295 VanDerWaalsContact C-CD 3.41Å; P295-H299 WeakPolarHBondContact O-CB 3.44Å; P295-H299 PolarHBondContact O-N 3.24Å; P295-H299 VanDerWaalsContact O-N 3.09Å; P295-L326 HydrophobicContact CG-CD1 4.27Å; P295-L326 HydrophobicContact CG-CD2 4.05Å; P295-L326 HydrophobicContact CG-CG 4.23Å; P295-V330 HydrophobicContact CB-CG2 3.96Å
296I97.3Very high97.1Very high25 Ų2531.7 Ų31.713%0.12817%0.169CC..Hα-helixtrans-74.2-40.1179.8-62115.2000110.9Y67 N293 F294 W298 H299 K300 T336 I338Y67-I296 WeakPolarHBondContact OH-CD1 3.15Å; N293-I296 PolarHBondContact O-N 3.25Å; N293-I296 VanDerWaalsContact O-N 3.12Å; F294-I296 VanDerWaalsContact C-N 3.34Å; F294-I296 PolarHBondContact O-N 3.24Å; I296-W298 VanDerWaalsContact C-N 3.34Å; I296-W298 PolarHBondContact O-N 2.71Å; I296-H299 PolarHBondContact O-N 3.36Å; I296-K300 HydrophobicContact CG2-CD 3.94Å; I296-K300 WeakPolarHBondContact O-CB 3.43Å; I296-K300 WeakPolarHBondContact O-CG 3.49Å; I296-K300 PolarHBondContact O-N 2.85Å; I296-T336 HydrophobicContact CB-CG2 4.37Å; I296-T336 HydrophobicContact CG1-CG2 3.99Å; I296-T336 HydrophobicContact CG2-CG2 4.37Å; I296-I338 HydrophobicContact CD1-CD1 3.87Å; I296-I338 HydrophobicContact CG1-CD1 4.1Å; I296-I338 HydrophobicContact CG2-CB 4.16Å; I296-I338 HydrophobicContact CG2-CD1 4.43Å; I296-I338 HydrophobicContact CG2-CG2 4.04Å
297V97.9Very high97Very high0 Ų039.6 Ų39.60%020%0.203CC..Hα-helixtrans-64.1-40.7176.61800000111.5F161 L191 G192 T193 A289 N293 F294 T301 W312F161-V297 HydrophobicContact CE2-CG1 3.53Å; F161-V297 HydrophobicContact CZ-CG1 3.6Å; L191-V297 VanDerWaalsContact O-CA 3.3Å; L191-V297 WeakPolarHBondContact O-CA 3.4Å; G192-V297 WeakPolarHBondContact O-CG2 3.33Å; T193-V297 HydrophobicContact CG2-CG1 4.46Å; T193-V297 HydrophobicContact CG2-CG2 4.36Å; A289-V297 HydrophobicContact CB-CG1 4.08Å; A289-V297 HydrophobicContact CB-CG2 4.42Å; N293-V297 HydrophobicContact CB-CG2 4.35Å; N293-V297 WeakPolarHBondContact O-CG2 3.4Å; N293-V297 PolarHBondContact O-N 3.22Å; N293-V297 WeakPolarHBondContact OD1-CG2 3.13Å; F294-V297 PolarHBondContact O-N 3.28Å; V297-T301 WeakPolarHBondContact O-CB 3.22Å; V297-T301 PolarHBondContact O-N 3.25Å; V297-T301 PolarHBondContact O-OG1 3.19Å; V297-W312 HydrophobicContact CG1-CH2 3.77Å; V297-W312 HydrophobicContact CG1-CZ3 4.14Å
298W98.1Very high96.9Very high22 Ų2239.8 Ų39.88%0.08320%0.204CC..Hα-helixtrans-63.1-52.7176.3175.4-114.5000111.2F294 I296 K300 T301 V302 W312 Y313 A327F294-W298 HydrophobicContact CD1-CB 4.45Å; F294-W298 HydrophobicContact CE1-CB 4.08Å; F294-W298 HydrophobicContact CE1-CG 4.38Å; F294-W298 HydrophobicContact CE2-CB 4.4Å; F294-W298 HydrophobicContact CZ-CB 4.06Å; F294-W298 HydrophobicContact CZ-CD2 4.43Å; F294-W298 HydrophobicContact CZ-CE3 4.36Å; F294-W298 HydrophobicContact CZ-CG 4.3Å; F294-W298 WeakPolarHBondContact O-CB 2.94Å; F294-W298 PolarHBondContact O-N 3.03Å; I296-W298 VanDerWaalsContact C-N 3.34Å; I296-W298 PolarHBondContact O-N 2.71Å; W298-K300 PolarHBondContact O-N 2.75Å; W298-T301 PolarHBondContact O-N 2.8Å; W298-V302 HydrophobicContact CD2-CG2 3.7Å; W298-V302 HydrophobicContact CE3-CG2 3.98Å; W298-V302 HydrophobicContact CG-CG2 4.36Å; W298-V302 HydrophobicContact CH2-CG2 3.67Å; W298-V302 HydrophobicContact CZ2-CG2 3.39Å; W298-V302 HydrophobicContact CZ3-CG2 3.98Å; W298-V302 VanDerWaalsContact O-CG2 3.32Å; W298-V302 WeakPolarHBondContact O-CG2 3.33Å; W298-V302 PolarHBondContact O-N 2.89Å; W298-W312 HydrophobicContact CE3-CE3 4.04Å; W298-W312 HydrophobicContact CE3-CZ3 4.23Å; W298-W312 HydrophobicContact CZ3-CE3 4.28Å; W298-Y313 HydrophobicContact CH2-CD2 4.07Å; W298-Y313 HydrophobicContact CH2-CG 4.15Å; W298-Y313 HydrophobicContact CZ2-CD2 4.17Å; W298-A327 HydrophobicContact CD2-CB 3.84Å; W298-A327 HydrophobicContact CE3-CB 4.49Å; W298-A327 HydrophobicContact CG-CB 4.03Å; W298-A327 HydrophobicContact CZ2-CB 4.09Å; W298-A327 PolarHBondContact NE1-O 3.07Å
299H97.4Very high96.8Very high11 Ų1139.8 Ų39.85%0.05120%0.204CC..Hα-helixtrans-49.6-55.1176.3-177.6-83.3000112.2P295 I296 T301 V302 R303 V330 D331 E334 T336P295-H299 WeakPolarHBondContact O-CB 3.44Å; P295-H299 PolarHBondContact O-N 3.24Å; P295-H299 VanDerWaalsContact O-N 3.09Å; I296-H299 PolarHBondContact O-N 3.36Å; H299-T301 PolarHBondContact O-N 2.54Å; H299-V302 PolarHBondContact O-N 3.31Å; H299-R303 WeakPolarHBondContact O-CG 3.36Å; H299-R303 PolarHBondContact O-N 2.77Å; H299-V330 HydrophobicContact CB-CG1 4.02Å; H299-D331 PolarHBondContact CD2-O 2.66Å; H299-D331 VanDerWaalsContact CD2-O 3.25Å; H299-E334 PolarHBondContact NE2-O 3.29Å; H299-T336 HydrophobicContact CB-CG2 3.74Å
300K95.6Very high96.8Very high39 Ų3947.5 Ų47.517%0.1723%0.234CC..Hα-helixtrans-67.2-36.2-179.1-68.1175.5-178-62.20112.4I296 W298 G304 I338I296-K300 HydrophobicContact CG2-CD 3.94Å; I296-K300 WeakPolarHBondContact O-CB 3.43Å; I296-K300 WeakPolarHBondContact O-CG 3.49Å; I296-K300 PolarHBondContact O-N 2.85Å; W298-K300 PolarHBondContact O-N 2.75Å; K300-G304 PolarHBondContact O-N 3.39Å; K300-I338 VanDerWaalsContact CE-O 3.3Å; K300-I338 WeakPolarHBondContact CE-O 3.49Å; K300-I338 PolarHBondContact NZ-O 3.41Å
301T96.8Very high96.7Very high0 Ų050.1 Ų50.10%025%0.245CC..Hα-helixtrans-71.6-33.8176.8-60.40000112.5F161 V297 W298 H299 R305 L308 W312F161-T301 HydrophobicContact CE1-CG2 4.23Å; F161-T301 HydrophobicContact CZ-CG2 4.47Å; V297-T301 WeakPolarHBondContact O-CB 3.22Å; V297-T301 PolarHBondContact O-N 3.25Å; V297-T301 PolarHBondContact O-OG1 3.19Å; W298-T301 PolarHBondContact O-N 2.8Å; H299-T301 PolarHBondContact O-N 2.54Å; T301-R305 CarbonylContact O-C 3.58Å; T301-R305 VanDerWaalsContact O-CA 3.27Å; T301-R305 WeakPolarHBondContact O-CA 3.24Å; T301-R305 PolarHBondContact O-N 3.11Å; T301-L308 HydrophobicContact CG2-CD2 4.15Å; T301-L308 HydrophobicContact CG2-CG 4.37Å; T301-W312 HydrophobicContact CG2-CE3 3.99Å; T301-W312 HydrophobicContact CG2-CZ3 4.05Å
302V96.5Very high96.7Very high27 Ų2747.4 Ų47.416%0.16423%0.228CC..Hα-helixtrans-66.5-49.8173.4172.50000110.5W298 H299 P306 L332W298-V302 HydrophobicContact CD2-CG2 3.7Å; W298-V302 HydrophobicContact CE3-CG2 3.98Å; W298-V302 HydrophobicContact CG-CG2 4.36Å; W298-V302 HydrophobicContact CH2-CG2 3.67Å; W298-V302 HydrophobicContact CZ2-CG2 3.39Å; W298-V302 HydrophobicContact CZ3-CG2 3.98Å; W298-V302 VanDerWaalsContact O-CG2 3.32Å; W298-V302 WeakPolarHBondContact O-CG2 3.33Å; W298-V302 PolarHBondContact O-N 2.89Å; H299-V302 PolarHBondContact O-N 3.31Å; V302-P306 WeakPolarHBondContact O-CA 3.36Å; V302-P306 WeakPolarHBondContact O-CD 3.34Å; V302-P306 VanDerWaalsContact O-CG 3.27Å; V302-P306 WeakPolarHBondContact O-CG 3.47Å; V302-L332 HydrophobicContact CB-CD2 3.95Å; V302-L332 HydrophobicContact CG1-CD1 3.72Å; V302-L332 HydrophobicContact CG1-CD2 3.98Å; V302-L332 HydrophobicContact CG1-CG 4.49Å; V302-L332 HydrophobicContact CG2-CD2 4.28Å
303R93.2Very high96.7Very high156 Ų15648.3 Ų48.359%0.58923%0.228SC*.Hα-helixtrans-67.8-50.7-178.8-66.2177.770.1123.2-4.5112H299 L332H299-R303 WeakPolarHBondContact O-CG 3.36Å; H299-R303 PolarHBondContact O-N 2.77Å; R303-L332 PolarHBondContact NH1-O 3.24Å
304G93.7Very high96.7Very high57 Ų5756.2 Ų56.259%0.58826%0.258SS*.Hα-helixtrans-80.4-30.1-176.400000115.3K300K300-G304 PolarHBondContact O-N 3.39Å
305R96Very high96.7Very high104 Ų10458.1 Ų58.139%0.39227%0.268SS..  trans-13562-177.3-51-168.982.7178.17113.3L191 T301 K307 L308 S309L191-R305 HydrophobicContact CD2-CG 4.28Å; T301-R305 CarbonylContact O-C 3.58Å; T301-R305 VanDerWaalsContact O-CA 3.27Å; T301-R305 WeakPolarHBondContact O-CA 3.24Å; T301-R305 PolarHBondContact O-N 3.11Å; R305-K307 PolarHBondContact O-N 3.19Å; R305-L308 HydrophobicContact CB-CB 3.87Å; R305-L308 HydrophobicContact CB-CD2 4.33Å; R305-L308 WeakPolarHBondContact O-CB 3.19Å; R305-L308 PolarHBondContact O-N 3.43Å; R305-S309 PolarHBondContact O-N 3.01Å
306P95.5Very high96.7Very high66 Ų6656.2 Ų56.243%0.42926%0.256SS..Hα-helixtrans-58.6-14.1-173.3-20.927000117.2V302 S309 R310V302-P306 WeakPolarHBondContact O-CA 3.36Å; V302-P306 WeakPolarHBondContact O-CD 3.34Å; V302-P306 VanDerWaalsContact O-CG 3.27Å; V302-P306 WeakPolarHBondContact O-CG 3.47Å; P306-S309 WeakPolarHBondContact CA-OG 3.24Å; P306-S309 PolarHBondContact O-OG 2.87Å; P306-R310 PolarHBondContact O-NE 2.95Å; P306-R310 PolarHBondContact O-NH2 3.33Å
307K96.6Very high96.7Very high179 Ų17960.5 Ų60.578%0.77827%0.273SS*.Hα-helixtrans-90.7-22.4174.7-67.5179.3-178.21740112.7R305R305-K307 PolarHBondContact O-N 3.19Å
308L96.6Very high96.7Very high15 Ų1566.7 Ų66.78%0.07930%0.302CS..Hα-helixtrans-80.1-52.2175.6-175.962.3000109.9F161 A164 R168 P170 T301 R305 R310 K311 W312F161-L308 HydrophobicContact CE1-CD2 4.23Å; A164-L308 HydrophobicContact CB-CD1 3.86Å; R168-L308 HydrophobicContact CB-CD1 4.41Å; R168-L308 VanDerWaalsContact O-CD1 3.28Å; R168-L308 WeakPolarHBondContact O-CD1 3.33Å; P170-L308 HydrophobicContact CG-CD2 4.41Å; T301-L308 HydrophobicContact CG2-CD2 4.15Å; T301-L308 HydrophobicContact CG2-CG 4.37Å; R305-L308 HydrophobicContact CB-CB 3.87Å; R305-L308 HydrophobicContact CB-CD2 4.33Å; R305-L308 WeakPolarHBondContact O-CB 3.19Å; R305-L308 PolarHBondContact O-N 3.43Å; L308-R310 PolarHBondContact O-N 2.75Å; L308-K311 PolarHBondContact O-N 2.91Å; L308-W312 WeakPolarHBondContact O-CB 3.1Å; L308-W312 PolarHBondContact O-N 2.69Å
309S96.9Very high96.7Very high4 Ų471.5 Ų71.53%0.02833%0.326CS..Hα-helixtrans-51.2-51.1179.557.30000112.7R305 P306 K311 W312 Y313R305-S309 PolarHBondContact O-N 3.01Å; P306-S309 WeakPolarHBondContact CA-OG 3.24Å; P306-S309 PolarHBondContact O-OG 2.87Å; S309-K311 VanDerWaalsContact C-N 3.27Å; S309-K311 PolarHBondContact O-N 3.23Å; S309-W312 PolarHBondContact O-N 2.87Å; S309-W312 VanDerWaalsContact O-N 3.1Å; S309-Y313 WeakPolarHBondContact O-CB 3.5Å; S309-Y313 PolarHBondContact O-N 2.85Å
310R97.3Very high96.7Very high163 Ų16373.4 Ų73.462%0.61533%0.332SS*.Hα-helixtrans-60.3-27.6177.8-80.4-177.9-71.5170.7-11.7114.9P306 L308P306-R310 PolarHBondContact O-NE 2.95Å; P306-R310 PolarHBondContact O-NH2 3.33Å; L308-R310 PolarHBondContact O-N 2.75Å
311K96.3Very high96.7Very high59 Ų5975 Ų7526%0.25735%0.347SS..Hα-helixtrans-80.4-46.6171.3-166.3-145.4160.7-164.50110.2A164 L308 S309 Y313 R314 I315A164-K311 PolarHBondContact O-NZ 3.26Å; L308-K311 PolarHBondContact O-N 2.91Å; S309-K311 VanDerWaalsContact C-N 3.27Å; S309-K311 PolarHBondContact O-N 3.23Å; K311-Y313 PolarHBondContact O-N 3.35Å; K311-R314 WeakPolarHBondContact O-CB 3.32Å; K311-R314 PolarHBondContact O-N 3.06Å; K311-I315 PolarHBondContact O-N 3.39Å
312W98.2Very high96.8Very high0 Ų078.5 Ų78.50%037%0.366CS..Hα-helixtrans-56.6-52.2-177.3-172.722.8000111.5L160 F161 A164 A289 F294 V297 W298 T301 L308 S309 R314 I315 L316L160-W312 HydrophobicContact CB-CZ2 3.96Å; L160-W312 PolarHBondContact O-NE1 3.37Å; F161-W312 HydrophobicContact CD1-CD2 4.36Å; F161-W312 HydrophobicContact CD1-CE3 4.4Å; F161-W312 HydrophobicContact CD1-CH2 4.13Å; F161-W312 HydrophobicContact CD1-CZ2 4.06Å; F161-W312 HydrophobicContact CD1-CZ3 4.3Å; F161-W312 HydrophobicContact CE1-CD2 4.37Å; F161-W312 AromaticContact CE1-CE3 3.96Å; F161-W312 HydrophobicContact CE1-CE3 3.96Å; F161-W312 AromaticContact CE1-CH2 3.85Å; F161-W312 HydrophobicContact CE1-CH2 3.85Å; F161-W312 HydrophobicContact CE1-CZ2 4.24Å; F161-W312 AromaticContact CE1-CZ3 3.69Å; F161-W312 HydrophobicContact CE1-CZ3 3.69Å; F161-W312 HydrophobicContact CE2-CH2 4.45Å; F161-W312 HydrophobicContact CG-CZ2 4.36Å; F161-W312 HydrophobicContact CZ-CH2 4.03Å; F161-W312 HydrophobicContact CZ-CZ3 4.01Å; A164-W312 HydrophobicContact CB-CB 4.19Å; A164-W312 HydrophobicContact CB-CG 4.13Å; A289-W312 HydrophobicContact CB-CH2 4.39Å; A289-W312 HydrophobicContact CB-CZ2 4.4Å; F294-W312 AromaticContact CD2-CH2 3.98Å; F294-W312 HydrophobicContact CD2-CH2 3.98Å; F294-W312 HydrophobicContact CD2-CZ2 4.11Å; F294-W312 AromaticContact CE2-CH2 3.68Å; F294-W312 HydrophobicContact CE2-CH2 3.68Å; F294-W312 AromaticContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ2 3.72Å; F294-W312 HydrophobicContact CE2-CZ3 4.24Å; V297-W312 HydrophobicContact CG1-CH2 3.77Å; V297-W312 HydrophobicContact CG1-CZ3 4.14Å; W298-W312 HydrophobicContact CE3-CE3 4.04Å; W298-W312 HydrophobicContact CE3-CZ3 4.23Å; W298-W312 HydrophobicContact CZ3-CE3 4.28Å; T301-W312 HydrophobicContact CG2-CE3 3.99Å; T301-W312 HydrophobicContact CG2-CZ3 4.05Å; L308-W312 WeakPolarHBondContact O-CB 3.1Å; L308-W312 PolarHBondContact O-N 2.69Å; S309-W312 PolarHBondContact O-N 2.87Å; S309-W312 VanDerWaalsContact O-N 3.1Å; W312-R314 VanDerWaalsContact C-N 3.29Å; W312-R314 PolarHBondContact O-N 3.09Å; W312-I315 PolarHBondContact O-N 3.27Å; W312-L316 HydrophobicContact CD2-CD1 4.2Å; W312-L316 HydrophobicContact CG-CD1 4.17Å; W312-L316 WeakPolarHBondContact O-CG 3.25Å; W312-L316 PolarHBondContact O-N 2.77Å
313Y98.1Very high96.8Very high48 Ų4877.6 Ų77.619%0.18836%0.36CS..Hα-helixtrans-55.4-38.8175.5176.5-87.8000113.6W298 S309 K311 I315 L316 K317 A324 A327 D328W298-Y313 HydrophobicContact CH2-CD2 4.07Å; W298-Y313 HydrophobicContact CH2-CG 4.15Å; W298-Y313 HydrophobicContact CZ2-CD2 4.17Å; S309-Y313 WeakPolarHBondContact O-CB 3.5Å; S309-Y313 PolarHBondContact O-N 2.85Å; K311-Y313 PolarHBondContact O-N 3.35Å; Y313-I315 VanDerWaalsContact C-N 3.3Å; Y313-I315 PolarHBondContact O-N 3.01Å; Y313-L316 PolarHBondContact O-N 3.38Å; Y313-K317 HydrophobicContact CE1-CD 3.76Å; Y313-K317 WeakPolarHBondContact O-CB 3.1Å; Y313-K317 PolarHBondContact O-N 3.36Å; Y313-K317 PolarHBondContact OH-NZ 3.47Å; Y313-A324 HydrophobicContact CE2-CB 4.13Å; Y313-A327 HydrophobicContact CD2-CB 3.91Å; Y313-A327 HydrophobicContact CE2-CB 4.1Å; Y313-D328 WeakPolarHBondContact CE2-OD1 3.44Å; Y313-D328 PolarHBondContact OH-OD1 3.13Å; Y313-D328 PolarHBondContact OH-OD2 2.93Å
314R97.8Very high97Very high166 Ų16670.3 Ų70.363%0.62633%0.332SS*.Hα-helixtrans-62.6-38.2177.7-174.4-177.8-61.4152.11.3112.1K311 W312 Q318K311-R314 WeakPolarHBondContact O-CB 3.32Å; K311-R314 PolarHBondContact O-N 3.06Å; W312-R314 VanDerWaalsContact C-N 3.29Å; W312-R314 PolarHBondContact O-N 3.09Å; R314-Q318 WeakPolarHBondContact O-CG 3.42Å; R314-Q318 PolarHBondContact O-OE1 3.33Å
315I97.9Very high97.2Very high40 Ų4071.1 Ų71.121%0.20533%0.326CS..Hα-helixtrans-77.5-40.3177.2-53.4-54.6000110.4F163 K311 W312 Y313 K317 Q318 E319F163-I315 HydrophobicContact CB-CB 4.38Å; F163-I315 HydrophobicContact CB-CG2 3.98Å; F163-I315 HydrophobicContact CD1-CG2 4.15Å; F163-I315 WeakPolarHBondContact O-CB 3.35Å; F163-I315 WeakPolarHBondContact O-CG1 3.35Å; K311-I315 PolarHBondContact O-N 3.39Å; W312-I315 PolarHBondContact O-N 3.27Å; Y313-I315 VanDerWaalsContact C-N 3.3Å; Y313-I315 PolarHBondContact O-N 3.01Å; I315-K317 VanDerWaalsContact C-N 3.28Å; I315-K317 PolarHBondContact O-N 3.23Å; I315-Q318 WeakPolarHBondContact O-CB 3.43Å; I315-Q318 PolarHBondContact O-N 2.79Å; I315-E319 HydrophobicContact CG2-CG 3.74Å; I315-E319 PolarHBondContact O-N 2.71Å
316L97.6Very high97.2Very high0 Ų068.7 Ų68.70%032%0.321CS..Hα-helixtrans-57.1-42172.5-67173.4000111.3F163 F294 W312 Y313 Q318 E319 R320 M323 A324F163-L316 HydrophobicContact CB-CD2 3.93Å; F163-L316 HydrophobicContact CB-CG 4.43Å; F163-L316 HydrophobicContact CD2-CD2 3.65Å; F163-L316 HydrophobicContact CE2-CD2 4.47Å; F163-L316 HydrophobicContact CG-CD2 3.95Å; F294-L316 HydrophobicContact CE2-CD1 3.67Å; F294-L316 HydrophobicContact CZ-CD1 3.65Å; W312-L316 HydrophobicContact CD2-CD1 4.2Å; W312-L316 HydrophobicContact CG-CD1 4.17Å; W312-L316 WeakPolarHBondContact O-CG 3.25Å; W312-L316 PolarHBondContact O-N 2.77Å; Y313-L316 PolarHBondContact O-N 3.38Å; L316-Q318 PolarHBondContact O-N 2.82Å; L316-E319 PolarHBondContact O-N 3.07Å; L316-R320 HydrophobicContact CD2-CB 4.06Å; L316-R320 CarbonylContact O-C 3.15Å; L316-R320 VanDerWaalsContact O-CA 3.29Å; L316-R320 WeakPolarHBondContact O-CA 3.41Å; L316-R320 PolarHBondContact O-N 3.14Å; L316-M323 HydrophobicContact CD1-CB 4.44Å; L316-M323 HydrophobicContact CD2-CB 4.21Å; L316-A324 HydrophobicContact CB-CB 4.41Å
317K97.6Very high97.2Very high114 Ų11465.7 Ų65.750%0.49630%0.302SS..Hα-helixtrans-65.1-6.7177.2-161.3155.1-166.6149.10114.4Y313 I315 A324 D328Y313-K317 HydrophobicContact CE1-CD 3.76Å; Y313-K317 WeakPolarHBondContact O-CB 3.1Å; Y313-K317 PolarHBondContact O-N 3.36Å; Y313-K317 PolarHBondContact OH-NZ 3.47Å; I315-K317 VanDerWaalsContact C-N 3.28Å; I315-K317 PolarHBondContact O-N 3.23Å; K317-A324 HydrophobicContact CB-CB 3.9Å; K317-A324 HydrophobicContact CG-CB 4.2Å; K317-D328 IonicContact NZ-OD2 2.77Å
318Q97.6Very high97.2Very high131 Ų13161.8 Ų61.861%0.61229%0.289SS*.Hα-helixtrans-108.1-48.2174.8-63.6175.4-46.100111.3R314 I315 L316R314-Q318 WeakPolarHBondContact O-CG 3.42Å; R314-Q318 PolarHBondContact O-OE1 3.33Å; I315-Q318 WeakPolarHBondContact O-CB 3.43Å; I315-Q318 PolarHBondContact O-N 2.79Å; L316-Q318 PolarHBondContact O-N 2.82Å
319E97.5Very high97.2Very high123 Ų12368.8 Ų68.858%0.57532%0.319SS*.Hα-helixtrans-95.9-28-171.6-54-67.6160.900114.2F163 I315 L316F163-E319 HydrophobicContact CD1-CB 3.8Å; F163-E319 HydrophobicContact CD1-CG 4.01Å; F163-E319 HydrophobicContact CE1-CB 3.6Å; F163-E319 HydrophobicContact CE1-CG 4.09Å; F163-E319 HydrophobicContact CZ-CB 4.45Å; I315-E319 HydrophobicContact CG2-CG 3.74Å; I315-E319 PolarHBondContact O-N 2.71Å; L316-E319 PolarHBondContact O-N 3.07Å
320R96.9Very high97Very high51 Ų5170 Ų7019%0.19233%0.326CS..  trans-142.269.5-179.4-74.7-67.6-62.9-94.9-0.1111.1D158 F163 T291 L316 D322 M323 A324D158-R320 IonicContact OD1-NH1 3.35Å; D158-R320 PolarHBondContact OD1-NH1 3.38Å; D158-R320 VanDerWaalsContact OD1-NH1 3.15Å; F163-R320 HydrophobicContact CE2-CG 3.85Å; F163-R320 HydrophobicContact CZ-CG 3.9Å; T291-R320 PolarHBondContact OG1-NH2 3.48Å; T291-R320 VanDerWaalsContact OG1-NH2 3.08Å; L316-R320 HydrophobicContact CD2-CB 4.06Å; L316-R320 CarbonylContact O-C 3.15Å; L316-R320 VanDerWaalsContact O-CA 3.29Å; L316-R320 WeakPolarHBondContact O-CA 3.41Å; L316-R320 PolarHBondContact O-N 3.14Å; R320-D322 VanDerWaalsContact CA-OD1 3.23Å; R320-D322 WeakPolarHBondContact CA-OD1 3.49Å; R320-D322 WeakPolarHBondContact CB-OD1 3.42Å; R320-D322 IonicContact CZ-OD2 3.8Å; R320-D322 IonicContact NE-OD1 3.16Å; R320-D322 PolarHBondContact NE-OD1 2.65Å; R320-D322 IonicContact NE-OD2 2.7Å; R320-D322 PolarHBondContact NE-OD2 2.92Å; R320-D322 IonicContact NH2-OD2 3.63Å; R320-D322 PolarHBondContact NH2-OD2 2.86Å; R320-D322 PolarHBondContact O-N 3.21Å; R320-D322 VanDerWaalsContact O-N 3.16Å; R320-M323 HydrophobicContact CB-CB 4.06Å; R320-M323 HydrophobicContact CB-CG 4.06Å; R320-M323 PolarHBondContact O-N 3.07Å; R320-A324 PolarHBondContact O-N 2.99Å; R320-A324 VanDerWaalsContact O-N 3.12Å
321P97.3Very high96.7Very high73 Ų7366 Ų6647%0.47432%0.317SS..Hα-helixtrans-61.7-23-176.7-23.135.2000113.7A324 T325P321-A324 PolarHBondContact O-N 3.32Å; P321-T325 WeakPolarHBondContact O-CB 3.31Å; P321-T325 PolarHBondContact O-N 3.48Å; P321-T325 PolarHBondContact O-OG1 2.95Å
322D97Very high96.4Very high73 Ų7366.3 Ų66.339%0.3932%0.321SS..Hα-helixtrans-59.4-46.9168.961.6-49.4000111.8R320 T325 L326R320-D322 VanDerWaalsContact CA-OD1 3.23Å; R320-D322 WeakPolarHBondContact CA-OD1 3.49Å; R320-D322 WeakPolarHBondContact CB-OD1 3.42Å; R320-D322 IonicContact CZ-OD2 3.8Å; R320-D322 IonicContact NE-OD1 3.16Å; R320-D322 PolarHBondContact NE-OD1 2.65Å; R320-D322 IonicContact NE-OD2 2.7Å; R320-D322 PolarHBondContact NE-OD2 2.92Å; R320-D322 IonicContact NH2-OD2 3.63Å; R320-D322 PolarHBondContact NH2-OD2 2.86Å; R320-D322 PolarHBondContact O-N 3.21Å; R320-D322 VanDerWaalsContact O-N 3.16Å; D322-T325 PolarHBondContact O-N 3.32Å; D322-L326 PolarHBondContact O-N 3.18Å
323M97.6Very high95.7Very high8 Ų874.5 Ų74.54%0.03936%0.359CS..Hα-helixtrans-73-33.4177.9-65.2-63.297.500112.1L160 T291 F294 L316 R320 L326 A327L160-M323 HydrophobicContact CD1-CG 4.13Å; L160-M323 HydrophobicContact CD1-SD 3.78Å; L160-M323 HydrophobicContact CD2-CG 4.35Å; T291-M323 HydrophobicContact CG2-CE 3.71Å; T291-M323 HydrophobicContact CG2-SD 4.34Å; F294-M323 HydrophobicContact CB-SD 4.2Å; F294-M323 HydrophobicContact CD1-SD 4.11Å; F294-M323 HydrophobicContact CE1-CB 4.33Å; F294-M323 WeakPolarHBondContact CE1-O 3.43Å; F294-M323 HydrophobicContact CG-SD 4.02Å; F294-M323 HydrophobicContact CZ-CB 4.33Å; L316-M323 HydrophobicContact CD1-CB 4.44Å; L316-M323 HydrophobicContact CD2-CB 4.21Å; R320-M323 HydrophobicContact CB-CB 4.06Å; R320-M323 HydrophobicContact CB-CG 4.06Å; R320-M323 PolarHBondContact O-N 3.07Å; M323-L326 HydrophobicContact CE-CD2 3.94Å; M323-L326 PolarHBondContact O-N 3.49Å; M323-L326 HydrophobicContact SD-CD2 4.31Å; M323-A327 WeakPolarHBondContact O-CB 3.45Å; M323-A327 PolarHBondContact O-N 2.88Å
324A97Very high95.1Very high2 Ų278.8 Ų78.82%0.01738%0.381CS..Hα-helixtrans-63.9-41.3170.100000111.8Y313 L316 K317 R320 P321 L326 A327 D328Y313-A324 HydrophobicContact CE2-CB 4.13Å; L316-A324 HydrophobicContact CB-CB 4.41Å; K317-A324 HydrophobicContact CB-CB 3.9Å; K317-A324 HydrophobicContact CG-CB 4.2Å; R320-A324 PolarHBondContact O-N 2.99Å; R320-A324 VanDerWaalsContact O-N 3.12Å; P321-A324 PolarHBondContact O-N 3.32Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 3.39Å; A324-A327 WeakPolarHBondContact O-CB 3.43Å; A324-A327 PolarHBondContact O-N 3.16Å; A324-D328 PolarHBondContact O-N 3.36Å
325T97.6Very high94.4Very high74 Ų7476 Ų7645%0.45439%0.387SS..Hα-helixtrans-65.7-32.8175.7-55.80000112.2P321 D322 K329P321-T325 WeakPolarHBondContact O-CB 3.31Å; P321-T325 PolarHBondContact O-N 3.48Å; P321-T325 PolarHBondContact O-OG1 2.95Å; D322-T325 PolarHBondContact O-N 3.32Å; T325-K329 WeakPolarHBondContact O-CG 3.34Å
326L96.3Very high93.7Very high53 Ų5375.9 Ų75.928%0.27739%0.388SS..Hα-helixtrans-71.4-41.6172.7-174.354.4000111.4F294 P295 D322 M323 A324 D328 K329 V330F294-L326 HydrophobicContact CD1-CB 4.3Å; F294-L326 HydrophobicContact CD1-CD2 3.9Å; F294-L326 HydrophobicContact CD1-CG 4.04Å; F294-L326 HydrophobicContact CE1-CB 4.4Å; P295-L326 HydrophobicContact CG-CD1 4.27Å; P295-L326 HydrophobicContact CG-CD2 4.05Å; P295-L326 HydrophobicContact CG-CG 4.23Å; D322-L326 PolarHBondContact O-N 3.18Å; M323-L326 HydrophobicContact CE-CD2 3.94Å; M323-L326 PolarHBondContact O-N 3.49Å; M323-L326 HydrophobicContact SD-CD2 4.31Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-L326 PolarHBondContact O-N 3.39Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.33Å; L326-K329 PolarHBondContact O-N 3.02Å; L326-K329 VanDerWaalsContact O-N 3.09Å; L326-V330 PolarHBondContact O-N 3Å
327A96.7Very high93Very high4 Ų478.6 Ų78.63%0.03342%0.416CS..Hα-helixtrans-60.2-37175.300000113.2F294 W298 Y313 M323 A324 K329 V330F294-A327 HydrophobicContact CE1-CB 3.81Å; F294-A327 HydrophobicContact CZ-CB 4Å; W298-A327 HydrophobicContact CD2-CB 3.84Å; W298-A327 HydrophobicContact CE3-CB 4.49Å; W298-A327 HydrophobicContact CG-CB 4.03Å; W298-A327 HydrophobicContact CZ2-CB 4.09Å; W298-A327 PolarHBondContact NE1-O 3.07Å; Y313-A327 HydrophobicContact CD2-CB 3.91Å; Y313-A327 HydrophobicContact CE2-CB 4.1Å; M323-A327 WeakPolarHBondContact O-CB 3.45Å; M323-A327 PolarHBondContact O-N 2.88Å; A324-A327 WeakPolarHBondContact O-CB 3.43Å; A324-A327 PolarHBondContact O-N 3.16Å; A327-K329 PolarHBondContact O-N 3.37Å; A327-V330 PolarHBondContact O-N 3Å
328D95.9Very high92.3Very high96 Ų9674.5 Ų74.551%0.51340%0.399SS..THydrogen-bonded Turntrans-70.5-12.5176.9-70.5-24.8000113.1Y313 K317 A324 L326Y313-D328 WeakPolarHBondContact CE2-OD1 3.44Å; Y313-D328 PolarHBondContact OH-OD1 3.13Å; Y313-D328 PolarHBondContact OH-OD2 2.93Å; K317-D328 IonicContact NZ-OD2 2.77Å; A324-D328 PolarHBondContact O-N 3.36Å; L326-D328 VanDerWaalsContact C-N 3.3Å; L326-D328 PolarHBondContact O-N 3.33Å
329K95.3Very high91.5Very high163 Ų16370 Ų7071%0.70939%0.385SS*.THydrogen-bonded Turntrans-102.1-7.9178.8-70174.9-179.1-177.30114.6T325 L326 A327 D331T325-K329 WeakPolarHBondContact O-CG 3.34Å; L326-K329 PolarHBondContact O-N 3.02Å; L326-K329 VanDerWaalsContact O-N 3.09Å; A327-K329 PolarHBondContact O-N 3.37Å; K329-D331 PolarHBondContact O-N 3.18Å
330V94.3Very high90.7Very high28 Ų2865.5 Ų65.517%0.1737%0.367CS..  trans-81.8113.7179.7172.90000109.2P295 H299 L326 A327 L332P295-V330 HydrophobicContact CB-CG2 3.96Å; H299-V330 HydrophobicContact CB-CG1 4.02Å; L326-V330 PolarHBondContact O-N 3Å; A327-V330 PolarHBondContact O-N 3Å; V330-L332 HydrophobicContact CG1-CD2 4.43Å; V330-L332 PolarHBondContact O-N 3.45Å
331D90.2Very high89.8Confident81 Ų8165.9 Ų65.943%0.43337%0.372SS..  trans-65.2134.3166.9-159.6-29.1000109.4H299 K329 Q333 E334H299-D331 PolarHBondContact CD2-O 2.66Å; H299-D331 VanDerWaalsContact CD2-O 3.25Å; K329-D331 PolarHBondContact O-N 3.18Å; D331-Q333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.41Å; D331-Q333 PolarHBondContact OD1-N 3.49Å; D331-E334 HydrophobicContact CB-CG 4.36Å
332L89.1Confident87.8Confident65 Ų6568.5 Ų68.534%0.3439%0.393SS..SBendtrans-97.5-10.7-179.3-62.3171.5000112.3V302 R303 V330V302-L332 HydrophobicContact CB-CD2 3.95Å; V302-L332 HydrophobicContact CG1-CD1 3.72Å; V302-L332 HydrophobicContact CG1-CD2 3.98Å; V302-L332 HydrophobicContact CG1-CG 4.49Å; V302-L332 HydrophobicContact CG2-CD2 4.28Å; R303-L332 PolarHBondContact NH1-O 3.24Å; V330-L332 HydrophobicContact CG1-CD2 4.43Å; V330-L332 PolarHBondContact O-N 3.45Å
333Q83.6Confident85.6Confident172 Ų17268.2 Ų68.280%0.80440%0.396SS*.SBendtrans-82.6-45.2177.7-58.1-17360.100111D331D331-Q333 WeakPolarHBondContact OD1-CB 3.3Å; D331-Q333 WeakPolarHBondContact OD1-CG 3.41Å; D331-Q333 PolarHBondContact OD1-N 3.49Å
334E85.8Confident83.2Confident138 Ų13869.1 Ų69.165%0.64540%0.403SS*.SBendtrans-63.1158.8177.6-64.1-162.8143.200113.1H299 D331H299-E334 PolarHBondContact NE2-O 3.29Å; D331-E334 HydrophobicContact CB-CG 4.36Å
335S82.6Confident80.5Confident107 Ų10770.9 Ų70.975%0.74841%0.413SS*.  trans-84137.3172.4-1760000110.6G337S335-G337 PolarHBondContact O-N 3.11Å; S335-G337 PolarHBondContact OG-N 3.15Å
336T83.4Confident77.8Confident38 Ų3868.6 Ų68.623%0.23340%0.4CS..  trans-75.8-0.4174.833.10000114I296 H299 I338I296-T336 HydrophobicContact CB-CG2 4.37Å; I296-T336 HydrophobicContact CG1-CG2 3.99Å; I296-T336 HydrophobicContact CG2-CG2 4.37Å; H299-T336 HydrophobicContact CB-CG2 3.74Å; T336-I338 PolarHBondContact O-N 3.35Å
337G82.8Confident75.2Confident56 Ų5666.9 Ų66.958%0.57739%0.392SS*.SBendtrans66.9-17.3-176.800000115.3S335S335-G337 PolarHBondContact O-N 3.11Å; S335-G337 PolarHBondContact OG-N 3.15Å
338I84.5Confident72.4Confident29 Ų2967.8 Ų67.815%0.14940%0.398CS..  trans-98.4129.2-177.7-73.7175.1000110.1Y67 T211 I296 K300 T336Y67-I338 HydrophobicContact CD1-CD1 4.32Å; Y67-I338 HydrophobicContact CE1-CD1 3.89Å; T211-I338 HydrophobicContact CG2-CG1 4.29Å; T211-I338 WeakPolarHBondContact OG1-CA 3.3Å; I296-I338 HydrophobicContact CD1-CD1 3.87Å; I296-I338 HydrophobicContact CG1-CD1 4.1Å; I296-I338 HydrophobicContact CG2-CB 4.16Å; I296-I338 HydrophobicContact CG2-CD1 4.43Å; I296-I338 HydrophobicContact CG2-CG2 4.04Å; K300-I338 VanDerWaalsContact CE-O 3.3Å; K300-I338 WeakPolarHBondContact CE-O 3.49Å; K300-I338 PolarHBondContact NZ-O 3.41Å; T336-I338 PolarHBondContact O-N 3.35Å
339A79.8Confident69.5Low37 Ų3764.8 Ų64.831%0.30639%0.385SS..  trans-79163.7170.200000111.2I188 T211I188-A339 HydrophobicContact CD1-CB 3.47Å; I188-A339 VanDerWaalsContact CD1-CB 3.47Å; T211-A339 PolarHBondContact OG1-N 2.82Å
340S81.9Confident66.6Low28 Ų2860.8 Ų60.820%0.19638%0.377CS..  trans-175.6140.7179.4175.60000110.5D189 P190 L191 G192D189-S340 PolarHBondContact O-OG 2.98Å; P190-S340 VanDerWaalsContact C-OG 3.23Å; P190-S340 WeakPolarHBondContact CA-OG 3.22Å; L191-S340 PolarHBondContact N-OG 3.27Å; G192-S340 PolarHBondContact N-OG 3Å
341D77.9Confident63.5Low58 Ų5864.5 Ų64.531%0.3140%0.404SS..  trans-77.8164.7178.9-68.7-45.7000113.5H187 I188 P190H187-D341 WeakPolarHBondContact CB-OD2 3.14Å; I188-D341 PolarHBondContact N-OD2 2.75Å; I188-D341 WeakPolarHBondContact O-CB 3.25Å; I188-D341 PolarHBondContact O-N 3.41Å; I188-D341 VanDerWaalsContact O-N 3.14Å; P190-D341 WeakPolarHBondContact CA-O 3.5Å
342S53.6Low60.7Low129 Ų12965.3 Ų65.390%0.90242%0.416SS*.SBendtrans-95.2-11.8-172.7-66.80000115
343S52.4Low57.8Low67 Ų6767.6 Ų67.647%0.46944%0.438SS..  trans-111.1140.3-175.343.80000112.2P190P190-S343 WeakPolarHBondContact CB-O 3.4Å
344S47.1Very low55.2Low26 Ų2663.4 Ų63.418%0.18243%0.427CS..SBendtrans-92.810177.556.60000114.5P171 W174P171-S344 WeakPolarHBondContact CD-OG 3.44Å; W174-S344 VanDerWaalsContact CZ2-O 3.28Å; W174-S344 WeakPolarHBondContact CZ2-O 3.43Å
345D40.5Very low52.4Low40 Ų4061.8 Ų61.821%0.21443%0.432CS..  trans-132.983.6-170.3-78.1-90000108K100 S347K100-D345 IonicContact NZ-OD1 3.75Å; K100-D345 PolarHBondContact NZ-OD1 2.97Å; D345-S347 PolarHBondContact O-N 3.48Å
346S40.8Very low49.8Very low26 Ų2663.1 Ų63.118%0.18243%0.43CS..  trans-7055.5177.5-48.50000112.4H187H187-S346 PolarHBondContact NE2-OG 3.13Å
347S40.3Very low47.1Very low16 Ų1666.3 Ų66.311%0.11245%0.454CS..  trans-78.5124.1163.8-57.40000107.9K100 E103 D345 S349K100-S347 WeakPolarHBondContact CE-OG 3.06Å; K100-S347 PolarHBondContact NZ-OG 3.07Å; E103-S347 WeakPolarHBondContact OE2-CB 3.22Å; E103-S347 PolarHBondContact OE2-OG 3.22Å; D345-S347 PolarHBondContact O-N 3.48Å; S347-S349 PolarHBondContact O-N 3.4Å
348S39Very low44.6Very low24 Ų2471.2 Ų71.217%0.16847%0.467CS..THydrogen-bonded Turntrans-68.931.8-177.3-430000114.9G183 E231G183-S348 PolarHBondContact O-OG 3.1Å; E231-S348 WeakPolarHBondContact OE2-CB 3.14Å
349S35.7Very low42Very low33 Ų3375.1 Ų75.123%0.23150%0.497CS..THydrogen-bonded Turntrans-138.49.5-164.2-44.60000113.8A16 R17 S347 S351A16-S349 WeakPolarHBondContact O-CB 3.4Å; A16-S349 PolarHBondContact O-OG 2.76Å; R17-S349 WeakPolarHBondContact CD-OG 3.35Å; S347-S349 PolarHBondContact O-N 3.4Å; S349-S351 PolarHBondContact O-N 2.91Å
350S33Very low39.6Very low79 Ų7982.1 Ų82.155%0.55252%0.523SS*.  trans-89.685.8-178.558.30000111.1S352S350-S352 PolarHBondContact O-N 3.43Å
351S30.1Very low37.1Very low105 Ų10585 Ų8573%0.73455%0.549SS*.  trans-63.291.6176.861.50000111.5S349 S353S349-S351 PolarHBondContact O-N 2.91Å; S351-S353 PolarHBondContact O-N 2.62Å
352S32Very low34.8Very low99 Ų9991.1 Ų91.169%0.69258%0.576SS**  trans-78.8113.3178.355.20000110.5S350 S354S350-S352 PolarHBondContact O-N 3.43Å; S352-S354 PolarHBondContact O-N 2.74Å
353S27.1Very low33.7Very low113 Ų11390.5 Ų90.579%0.7957%0.572SS**  trans-74.7103.9172.955.90000110S351 S355S351-S353 PolarHBondContact O-N 2.62Å; S353-S355 PolarHBondContact O-N 2.98Å
354S29.9Very low32.4Very low83 Ų8390.5 Ų90.558%0.5858%0.582SS**  trans-56.7127.7165.4-62.80000109.7S352 D356S352-S354 PolarHBondContact O-N 2.74Å; S354-D356 WeakPolarHBondContact CB-OD2 3.3Å
355S26.6Very low31.5Very low105 Ų10594.6 Ų94.673%0.73461%0.611SS**  trans-1148416360.50000106.8S353S353-S355 PolarHBondContact O-N 2.98Å
356D27Very low30.8Very low135 Ų135102.4 Ų102.472%0.72265%0.646SS**  trans-66.9138.7175.7-54.7-66.1000109S354S354-D356 WeakPolarHBondContact CB-OD2 3.3Å
357S28.1Very low30.1Very low105 Ų105104.9 Ų104.973%0.73468%0.675SS**  trans-122.280.9-173.7-65.50000109.3S359S357-S359 PolarHBondContact O-OG 3.1Å
358D28.9Very low29.4Very low159 Ų159112 Ų11285%0.8571%0.712SS**  trans-57.6138.4170.8-67.5-48.2000110.2
359S29.6Very low28.9Very low110 Ų110114.3 Ų114.377%0.76973%0.732SS**  trans-117103.8-173.7-61.50000109.1S357S357-S359 PolarHBondContact O-OG 3.1Å
360E30.2Very low28.4Very low184 Ų184122 Ų12286%0.8677%0.767SS**  trans-130.8162.6177.3-86-61.1168.700112.9
361A29.3Very low28.2Very low90 Ų90123.2 Ų123.274%0.74478%0.776SS**  trans-84.2168-147.600000118.4
362E29.2Very low28.1Very low185 Ų185127.6 Ų127.686%0.86478%0.784SS**  trans-50.2130.7173.7-77.2-84.2167.300115.5
363S30.2Very low27.9Very low117 Ų117134.4 Ų134.482%0.81879%0.794SS**  trans-172.4129.4132.559.10000114.5
364G25.8Very low28Very low66 Ų66140.5 Ų140.568%0.6880%0.8SS**  trans89.3102.4131.600000121.8
365S27.8Very low27.9Very low113 Ų113146.9 Ų146.979%0.7982%0.817SS**  trans62.6111.7139.2490000123
366E26.8Very low28Very low204 Ų204151.5 Ų151.595%0.95382%0.824SS**  trans47.6126.8134-51.9-167.2151.500122.4
367G25.3Very low28Very low77 Ų77156.4 Ų156.479%0.79483%0.833SS**  trans178.935.3177.800000122.7
368D26.9Very low27.9Very low167 Ų167161.4 Ų161.489%0.89384%0.841SS**  trans70.2157.7154.5-149.814.2000123.7
369A26.7Very low27.8Very low72 Ų72160.2 Ų160.260%0.59584%0.84SS**  trans39102.1157.300000125.2
370M26.6Very low27.7Very low195 Ų195161.3 Ų161.396%0.96185%0.846SS**  trans37.9122.2131.1-54.8-165.9-155.600123.2
371S28.1Very low27.4Very low104 Ų104155.8 Ų155.873%0.72784%0.838SS**  -169.4109.8127.4-172.20000113.9
372H27.9Very low27.4Very low196 Ų196160.8 Ų160.891%0.90785%0.849SS**  trans-115.899.5175-81.1-32.5000113.3R374H372-R374 PolarHBondContact O-N 3.5Å
373R28.4Very low27.4Very low242 Ų242160 Ų16091%0.91385%0.849SS**  trans-87.489.5173.1-82.7-174.5166.2-177.8-2.4113.2K375R373-K375 PolarHBondContact O-N 3.43Å
374R28.2Very low27.1Very low242 Ų242159.2 Ų159.291%0.91384%0.843SS**PPolyproline II helixtrans-65.7121.7166.5-79178.2163.7174.9-4.9111.4H372H372-R374 PolarHBondContact O-N 3.5Å
375K29.2Very low27.2Very low216 Ų216163.7 Ų163.794%0.93985%0.852SS**PPolyproline II helixtrans-73.8124.6169.9-79.3-179.8176.8173.30110.8R373R373-K375 PolarHBondContact O-N 3.43Å
376K27.3Very low27.1Very low203 Ų203161.5 Ų161.588%0.88385%0.846SS**PPolyproline II helixtrans-99.9125.9-175.6-162.2173-174.2176.60110.3K378K376-K378 PolarHBondContact O-N 3.32Å
377R26.7Very low27.1Very low238 Ų238159.5 Ų159.590%0.89884%0.842SS**PPolyproline II helixtrans-67130.7172.4-68.5170.686167.33.9109
378K26.8Very low27.2Very low209 Ų209160.7 Ų160.791%0.90984%0.839SS**  trans-97.1113164.6-82.4-171.2173.8-175.40109K376K376-K378 PolarHBondContact O-N 3.32Å
379T27.7Very low27.2Very low135 Ų135157.4 Ų157.483%0.82883%0.829SS**PPolyproline II helixtrans-93.3129.1158.240.90000108.1
380C26.7Very low27.2Very low132 Ų132160.2 Ų160.289%0.89284%0.838SS**PPolyproline II helixtrans-84.2119.9175.2-157.10000108.9
381G24.7Very low27.2Very low68 Ų68159.4 Ų159.470%0.70183%0.83SS**PPolyproline II helixtrans-90.7139.5169.800000110.4
382M28.4Very low27.2Very low196 Ų196161.5 Ų161.597%0.96683%0.833SS**PPolyproline II helixtrans-95.6156.2161.4-85.2-177.3154.400109.8
383I28.4Very low27.1Very low168 Ų168159.7 Ų159.786%0.86283%0.83SS**PPolyproline II helixtrans-80.6143.5-160.7-67.4162.3000111.8
384S25.4Very low27Very low100 Ų100153.9 Ų153.970%0.69983%0.825SS**PPolyproline II helixtrans-102.1138.5171.455.60000112.1
385N27.1Very low26.9Very low161 Ų161148.3 Ų148.386%0.86182%0.818SS**  trans-155137.3143.2-80-31.5000103.2
386G26.5Very low26.9Very low66 Ų66142.9 Ų142.968%0.6881%0.807SS**  cis92.9116.933.600000108.3
387D27Very low26.9Very low162 Ų162143.1 Ų143.187%0.86681%0.808SS**  cis-160.1-177.4-2.8-137.253.6000108.5
388S27.5Very low26.9Very low103 Ų103138.8 Ų138.872%0.7280%0.798SS**  cis-156.2-84.315.347.50000113.9
389S25.9Very low26.9Very low97 Ų97139.4 Ų139.468%0.67879%0.794SS**  trans-106.2169.8-170.360.20000113
390T27.5Very low26.9Very low131 Ų131138.7 Ų138.780%0.80480%0.795SS**  cis-144.4-179.524.231.20000113.1
391K25.7Very low27Very low178 Ų178137.5 Ų137.577%0.77479%0.788SS**  trans-47.1158.6160.2-44.8171.6-178.6175.40112.3
392D27.8Very low27.3Very low149 Ų149139.5 Ų139.580%0.79779%0.791SS**  -165171.467.5-86.6-40000113.2
393D26.4Very low27.6Very low157 Ų157145.4 Ų145.484%0.8480%0.802SS**  trans-76.9144.5176.2-66.4-74.3000114.1
394C26.9Very low27.6Very low120 Ų120144.3 Ų144.381%0.81180%0.799SS**  trans-171.3125.3132.9-104.60000116.8
395V26.6Very low27.7Very low126 Ų126146.6 Ų146.676%0.76481%0.805SS**  46.3111.5125-173.60000120.2
396S27.2Very low27.7Very low101 Ų101145.8 Ų145.871%0.70680%0.802SS**  trans-26156.215658.30000120.8
397K27.8Very low27.8Very low209 Ų209150.5 Ų150.591%0.90981%0.809SS**  -152.9154.5127.2-114.8163.7-171.81720113.6
398E26.4Very low27.8Very low146 Ų146149.8 Ų149.868%0.68281%0.805SS**  trans-88.9177.9179.8-47.6-175.3124.100113.4
399R26.8Very low27.9Very low223 Ų223152.9 Ų152.984%0.84281%0.811SS**  trans75.6144.8156.8-65.2163-161.2-135-1.8114.7
400S29Very low28Very low119 Ų119156.9 Ų156.983%0.83282%0.82SS**  cis-126.6170.828.958.40000115.8
401S27.3Very low28.1Very low107 Ų107158.8 Ų158.875%0.74882%0.822SS**  trans-118.2145.5167.1174.80000108.3
402S31.4Very low28.3Very low110 Ų110157.3 Ų157.377%0.76983%0.826SS**  trans-169.8130136.4-84.40000112.5
403R35.6Very low28.3Very low320 Ų320158 Ų158100%1.20883%0.828SS**  trans38.20140-61.3-178175.4-167.2-3118.2

Retrieved 403 of 403 residues in 1968.7 ms (Link to these results)

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