A0A077ZH62_TRITR Loading...

Calcium binding protein p22

AlphaFold DB , UniProt , Accession A0A077ZH62, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 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
1M33Very low55.4Low248 Ų248117.9 Ų117.9100%1.22270%0.696SS**  0119.70-67-164.4-168.900107.7
2G34.6Very low58.5Low84 Ų84119.7 Ų119.787%0.86669%0.693SS**  trans-79.2125.8-175.700000111
3A36.1Very low61.1Low85 Ų85116.3 Ų116.370%0.70267%0.667SS**  trans-142.624.3175.200000112.6
4N46.1Very low63.5Low144 Ų144108.4 Ų108.477%0.7762%0.621SS**  trans-108.95.8-179.3-84.92.7000114.5L8N4-L8 VanDerWaalsContact O-CD1 3.28Å; N4-L8 WeakPolarHBondContact O-CD1 3.33Å; N4-L8 WeakPolarHBondContact O-CG 3.38Å
5T38.4Very low65.6Low116 Ų116104.5 Ų104.571%0.71260%0.603SS**SBendtrans-90.5-14-17636.70000115.1
6S44.5Very low67.5Low118 Ų118102.6 Ų102.683%0.82559%0.587SS**THydrogen-bonded Turntrans-93-7.9-171.2-55.80000115.9
7L54.3Low69.2Low137 Ų13796.6 Ų96.672%0.71755%0.553SS**THydrogen-bonded Turntrans-109.110.9-180-73.9164.7000112.8Y32L7-Y32 WeakPolarHBondContact O-CE1 3.28Å
8L66.2Low70.6Confident107 Ų10795.1 Ų95.156%0.5654%0.54SS*.  trans-91126-169-65.6171.4000110.9N4 Q10N4-L8 VanDerWaalsContact O-CD1 3.28Å; N4-L8 WeakPolarHBondContact O-CD1 3.33Å; N4-L8 WeakPolarHBondContact O-CG 3.38Å; L8-Q10 PolarHBondContact O-N 3.06Å
9L79.2Confident71.9Confident16 Ų1698.6 Ų98.68%0.08455%0.549CS..  trans-45133.6160-69.7162.5000109.4E13 I14 I28 Y32 F82L9-E13 VanDerWaalsContact CD2-CD 3.4Å; L9-E13 HydrophobicContact CD2-CG 4.26Å; L9-E13 WeakPolarHBondContact CD2-OE1 3.14Å; L9-E13 VanDerWaalsContact CD2-OE2 3.27Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.42Å; L9-I14 HydrophobicContact CB-CD1 4.04Å; L9-I14 HydrophobicContact CB-CG1 3.71Å; L9-I14 HydrophobicContact CD1-CG1 4.33Å; L9-I28 HydrophobicContact CD1-CG2 3.83Å; L9-Y32 HydrophobicContact CD1-CD1 4.31Å; L9-Y32 HydrophobicContact CD1-CD2 3.52Å; L9-Y32 HydrophobicContact CD1-CE2 4.25Å; L9-Y32 HydrophobicContact CD1-CG 3.54Å; L9-Y32 HydrophobicContact CD2-CD2 3.74Å; L9-Y32 HydrophobicContact CD2-CE2 3.66Å; L9-Y32 HydrophobicContact CD2-CG 4.46Å; L9-Y32 HydrophobicContact CG-CD1 4.23Å; L9-Y32 HydrophobicContact CG-CD2 3.57Å; L9-Y32 HydrophobicContact CG-CE1 4.42Å; L9-Y32 HydrophobicContact CG-CE2 3.77Å; L9-Y32 HydrophobicContact CG-CG 3.79Å; L9-F82 HydrophobicContact CD1-CD1 4.11Å; L9-F82 HydrophobicContact CD1-CE1 3.4Å; L9-F82 HydrophobicContact CD1-CZ 3.94Å; L9-F82 HydrophobicContact CD2-CD1 3.86Å; L9-F82 HydrophobicContact CD2-CE1 3.98Å; L9-F82 HydrophobicContact CG-CE1 4.32Å
10Q87.6Confident73Confident136 Ų13696.8 Ų96.864%0.63654%0.536SS*.  trans-65.8148.9179.4-60.9-174.117.600110.2L8 E12 E13 I14L8-Q10 PolarHBondContact O-N 3.06Å; Q10-E12 PolarHBondContact O-N 2.63Å; Q10-E12 VanDerWaalsContact O-N 3.16Å; Q10-E13 HydrophobicContact CB-CB 4.48Å; Q10-E13 PolarHBondContact O-N 3Å; Q10-E13 VanDerWaalsContact O-N 3.09Å; Q10-I14 WeakPolarHBondContact O-CG1 3.36Å; Q10-I14 PolarHBondContact O-N 3.45Å
11D89.8Confident74.1Confident106 Ų10692.2 Ų92.257%0.56751%0.51SS*.Hα-helixtrans-60-29.7-178.4-900.3000112.6S15 K25D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.39Å; D11-K25 WeakPolarHBondContact OD1-CE 3.48Å; D11-K25 IonicContact OD1-NZ 2.63Å; D11-K25 PolarHBondContact OD1-NZ 3.27Å; D11-K25 IonicContact OD2-NZ 3.06Å; D11-K25 PolarHBondContact OD2-NZ 3.31Å
12E92.1Very high77Confident139 Ų13981.6 Ų81.665%0.6547%0.465SS*.Hα-helixtrans-66.3-50.6173-174.3164.2-154.200111.9Q10 I14 S15 E16Q10-E12 PolarHBondContact O-N 2.63Å; Q10-E12 VanDerWaalsContact O-N 3.16Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.34Å; E12-S15 WeakPolarHBondContact O-CA 3.44Å; E12-S15 VanDerWaalsContact O-CB 3.27Å; E12-S15 WeakPolarHBondContact O-CB 3.33Å; E12-S15 PolarHBondContact O-N 3.25Å; E12-E16 PolarHBondContact O-N 2.92Å
13E92.3Very high79.9Confident76 Ų7678.7 Ų78.736%0.35543%0.428SS..Hα-helixtrans-60.2-42176.6-174-179-175.900111.5L9 Q10 S15 E16 I17L9-E13 VanDerWaalsContact CD2-CD 3.4Å; L9-E13 HydrophobicContact CD2-CG 4.26Å; L9-E13 WeakPolarHBondContact CD2-OE1 3.14Å; L9-E13 VanDerWaalsContact CD2-OE2 3.27Å; L9-E13 WeakPolarHBondContact CD2-OE2 3.42Å; Q10-E13 HydrophobicContact CB-CB 4.48Å; Q10-E13 PolarHBondContact O-N 3Å; Q10-E13 VanDerWaalsContact O-N 3.09Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 3.4Å; E13-E16 PolarHBondContact O-N 3.09Å; E13-I17 HydrophobicContact CG-CD1 4.07Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.19Å; E13-I17 PolarHBondContact O-N 3Å
14I94.5Very high82.7Confident5 Ų577 Ų773%0.02641%0.411CS..Hα-helixtrans-58.3-46.2173.1-67.9174.5000110L9 Q10 E12 E16 I17 Q18 K25 I28 V29L9-I14 HydrophobicContact CB-CD1 4.04Å; L9-I14 HydrophobicContact CB-CG1 3.71Å; L9-I14 HydrophobicContact CD1-CG1 4.33Å; Q10-I14 WeakPolarHBondContact O-CG1 3.36Å; Q10-I14 PolarHBondContact O-N 3.45Å; E12-I14 VanDerWaalsContact C-N 3.32Å; E12-I14 PolarHBondContact O-N 3.34Å; I14-E16 VanDerWaalsContact C-N 3.33Å; I14-E16 PolarHBondContact O-N 3.16Å; I14-I17 PolarHBondContact O-N 2.95Å; I14-Q18 HydrophobicContact CG2-CG 4.27Å; I14-Q18 WeakPolarHBondContact O-CB 3.31Å; I14-Q18 VanDerWaalsContact O-CG 3.25Å; I14-Q18 WeakPolarHBondContact O-CG 3.41Å; I14-Q18 PolarHBondContact O-N 3.25Å; I14-K25 HydrophobicContact CG2-CB 3.97Å; I14-K25 HydrophobicContact CG2-CD 4.15Å; I14-K25 HydrophobicContact CG2-CG 3.81Å; I14-I28 HydrophobicContact CG1-CG2 4.44Å; I14-I28 HydrophobicContact CG2-CD1 4.19Å; I14-V29 HydrophobicContact CD1-CG2 4.19Å
15S94.9Very high85.1Confident50 Ų5074.3 Ų74.335%0.3539%0.392SS..Hα-helixtrans-61.2-40.9-179.8-170.40000112.1D11 E12 E13 Q18 K19D11-S15 WeakPolarHBondContact O-CB 3.42Å; D11-S15 PolarHBondContact O-N 3.39Å; E12-S15 WeakPolarHBondContact O-CA 3.44Å; E12-S15 VanDerWaalsContact O-CB 3.27Å; E12-S15 WeakPolarHBondContact O-CB 3.33Å; E12-S15 PolarHBondContact O-N 3.25Å; E13-S15 VanDerWaalsContact C-N 3.3Å; E13-S15 PolarHBondContact O-N 3.4Å; S15-Q18 PolarHBondContact O-N 3.17Å; S15-K19 WeakPolarHBondContact O-CG 3.5Å; S15-K19 PolarHBondContact O-N 3.46Å; S15-K19 VanDerWaalsContact O-N 3.16Å
16E95.9Very high87.8Confident75 Ų7576.5 Ų76.535%0.3539%0.392SS..Hα-helixtrans-61.8-52173.4-69.2-171.5-173.500111.7E12 E13 I14 Q18 K19 E20 R83E12-E16 PolarHBondContact O-N 2.92Å; E13-E16 PolarHBondContact O-N 3.09Å; I14-E16 VanDerWaalsContact C-N 3.33Å; I14-E16 PolarHBondContact O-N 3.16Å; E16-Q18 PolarHBondContact O-N 3Å; E16-K19 WeakPolarHBondContact O-CB 3.32Å; E16-K19 PolarHBondContact O-N 2.8Å; E16-E20 PolarHBondContact O-N 3.24Å; E16-R83 IonicContact OE2-CZ 3.65Å; E16-R83 IonicContact OE2-NH1 3.48Å; E16-R83 PolarHBondContact OE2-NH1 3.49Å; E16-R83 IonicContact OE2-NH2 2.97Å; E16-R83 PolarHBondContact OE2-NH2 2.98Å
17I96.4Very high90.3Very high1 Ų174.9 Ų74.91%0.00537%0.372CS..Hα-helixtrans-60-36.4179.1-66.2171.5000110.6E13 I14 K19 E20 T21 I28 F82 V86E13-I17 HydrophobicContact CG-CD1 4.07Å; E13-I17 VanDerWaalsContact O-CG1 3.31Å; E13-I17 WeakPolarHBondContact O-CG1 3.19Å; E13-I17 PolarHBondContact O-N 3Å; I14-I17 PolarHBondContact O-N 2.95Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.3Å; I17-E20 PolarHBondContact O-N 3.36Å; I17-T21 HydrophobicContact CG2-CG2 3.96Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.32Å; I17-T21 PolarHBondContact O-N 2.89Å; I17-T21 PolarHBondContact O-OG1 3.39Å; I17-I28 HydrophobicContact CB-CD1 3.95Å; I17-I28 HydrophobicContact CD1-CG2 4.48Å; I17-I28 HydrophobicContact CG2-CD1 3.58Å; I17-I28 HydrophobicContact CG2-CG1 3.82Å; I17-I28 HydrophobicContact CG2-CG2 4.19Å; I17-F82 HydrophobicContact CD1-CD1 3.99Å; I17-F82 HydrophobicContact CD1-CE1 3.68Å; I17-V86 HydrophobicContact CG2-CG2 3.69Å
18Q95.4Very high92.3Very high69 Ų6968.4 Ų68.432%0.32234%0.338SS..Hα-helixtrans-61.4-41.8175.1-75.5-163.9-104.800112.2I14 S15 E16 G22 F23 I28I14-Q18 HydrophobicContact CG2-CG 4.27Å; I14-Q18 WeakPolarHBondContact O-CB 3.31Å; I14-Q18 VanDerWaalsContact O-CG 3.25Å; I14-Q18 WeakPolarHBondContact O-CG 3.41Å; I14-Q18 PolarHBondContact O-N 3.25Å; S15-Q18 PolarHBondContact O-N 3.17Å; E16-Q18 PolarHBondContact O-N 3Å; Q18-G22 VanDerWaalsContact O-CA 3.31Å; Q18-G22 WeakPolarHBondContact O-CA 3.33Å; Q18-G22 PolarHBondContact O-N 2.93Å; Q18-F23 WeakPolarHBondContact CG-O 3.43Å; Q18-F23 PolarHBondContact NE2-O 3.46Å; Q18-I28 HydrophobicContact CB-CD1 4.16Å; Q18-I28 HydrophobicContact CG-CD1 3.27Å
19K94.3Very high93.7Very high162 Ų16266.2 Ų66.270%0.70433%0.329SS*.Hα-helixtrans-66.9-40.5177.2-69.3171.7-174172.40111.3S15 E16 I17S15-K19 WeakPolarHBondContact O-CG 3.5Å; S15-K19 PolarHBondContact O-N 3.46Å; S15-K19 VanDerWaalsContact O-N 3.16Å; E16-K19 WeakPolarHBondContact O-CB 3.32Å; E16-K19 PolarHBondContact O-N 2.8Å; I17-K19 VanDerWaalsContact C-N 3.34Å; I17-K19 PolarHBondContact O-N 3.3Å
20E94.9Very high94.5Very high62 Ų6274.1 Ų74.129%0.2936%0.357SS..Hα-helixtrans-74.6-36.9-176.8-73.9-177.4175.900114.3E16 I17 R83 Q87 H101 L103E16-E20 PolarHBondContact O-N 3.24Å; I17-E20 PolarHBondContact O-N 3.36Å; E20-R83 IonicContact OE1-CZ 3.34Å; E20-R83 IonicContact OE1-NE 3.36Å; E20-R83 PolarHBondContact OE1-NE 3.25Å; E20-R83 IonicContact OE1-NH2 2.63Å; E20-R83 PolarHBondContact OE1-NH2 2.71Å; E20-R83 IonicContact OE2-CZ 3.66Å; E20-R83 IonicContact OE2-NE 2.92Å; E20-R83 PolarHBondContact OE2-NE 3.33Å; E20-R83 IonicContact OE2-NH2 3.6Å; E20-Q87 PolarHBondContact OE2-NE2 3.37Å; E20-H101 PolarHBondContact O-CE1 3.11Å; E20-H101 PolarHBondContact O-NE2 2.95Å; E20-L103 WeakPolarHBondContact O-CD1 3.43Å
21T95Very high94.9Very high0 Ų068.5 Ų68.50%033%0.332CS..Hα-helixtrans-108.8-21.6-169.265.50000113.3I17 F23 V86 Q87 A90 R93I17-T21 HydrophobicContact CG2-CG2 3.96Å; I17-T21 WeakPolarHBondContact O-CB 3.37Å; I17-T21 WeakPolarHBondContact O-CG2 3.32Å; I17-T21 PolarHBondContact O-N 2.89Å; I17-T21 PolarHBondContact O-OG1 3.39Å; T21-F23 VanDerWaalsContact CB-CD2 3.5Å; T21-F23 HydrophobicContact CG2-CD2 4.27Å; T21-F23 PolarHBondContact O-N 3.1Å; T21-F23 VanDerWaalsContact OG1-CD2 3.26Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.5Å; T21-F23 PolarHBondContact OG1-N 3.16Å; T21-V86 HydrophobicContact CG2-CB 4.38Å; T21-V86 HydrophobicContact CG2-CG2 3.99Å; T21-Q87 HydrophobicContact CG2-CG 4.31Å; T21-A90 HydrophobicContact CG2-CB 4.1Å; T21-R93 WeakPolarHBondContact O-CD 3.46Å; T21-R93 PolarHBondContact O-NE 3.5Å; T21-R93 PolarHBondContact O-NH1 3.2Å
22G94.1Very high95.1Very high26 Ų2666.3 Ų66.327%0.26832%0.316SS..  trans6912.8-171.200000114.1Q18 R93 H101Q18-G22 VanDerWaalsContact O-CA 3.31Å; Q18-G22 WeakPolarHBondContact O-CA 3.33Å; Q18-G22 PolarHBondContact O-N 2.93Å; G22-R93 VanDerWaalsContact O-CZ 3.27Å; G22-R93 PolarHBondContact O-NE 3.07Å; G22-R93 PolarHBondContact O-NH2 2.76Å; G22-H101 PolarHBondContact N-NE2 3.35Å
23F96.6Very high95.2Very high22 Ų2263.2 Ų63.210%0.09631%0.31CS..  trans-71.1153.5167-71.8-60.9000110.6Q18 T21 Q27 I28 L31 L89 A90 R93Q18-F23 WeakPolarHBondContact CG-O 3.43Å; Q18-F23 PolarHBondContact NE2-O 3.46Å; T21-F23 VanDerWaalsContact CB-CD2 3.5Å; T21-F23 HydrophobicContact CG2-CD2 4.27Å; T21-F23 PolarHBondContact O-N 3.1Å; T21-F23 VanDerWaalsContact OG1-CD2 3.26Å; T21-F23 WeakPolarHBondContact OG1-CD2 3.5Å; T21-F23 PolarHBondContact OG1-N 3.16Å; F23-Q27 HydrophobicContact CB-CB 4.07Å; F23-Q27 HydrophobicContact CD1-CB 4.05Å; F23-Q27 HydrophobicContact CG-CB 4.38Å; F23-I28 HydrophobicContact CB-CD1 4.28Å; F23-I28 HydrophobicContact CB-CG1 3.76Å; F23-L31 HydrophobicContact CD1-CD1 4.47Å; F23-L31 HydrophobicContact CD2-CD1 3.98Å; F23-L31 HydrophobicContact CE1-CD1 4.35Å; F23-L31 HydrophobicContact CE2-CD1 3.87Å; F23-L31 HydrophobicContact CG-CD1 4.31Å; F23-L31 HydrophobicContact CZ-CD1 4.06Å; F23-L89 HydrophobicContact CE2-CB 4.43Å; F23-L89 HydrophobicContact CZ-CB 4.3Å; F23-A90 HydrophobicContact CE2-CB 3.91Å; F23-A90 HydrophobicContact CZ-CB 4.5Å; F23-R93 HydrophobicContact CD1-CG 4.18Å; F23-R93 VanDerWaalsContact CE1-CD 3.44Å; F23-R93 HydrophobicContact CE1-CG 3.43Å; F23-R93 VanDerWaalsContact CE1-CG 3.43Å; F23-R93 HydrophobicContact CE2-CG 4.44Å; F23-R93 HydrophobicContact CZ-CG 3.58Å
24S94.9Very high95.2Very high49 Ų4966.4 Ų66.434%0.34332%0.318SS..  trans-79.8156.8168.561.10000110.9K26 Q27 I28S24-K26 PolarHBondContact O-N 3.11Å; S24-K26 VanDerWaalsContact O-N 3.17Å; S24-Q27 WeakPolarHBondContact O-CA 3.27Å; S24-Q27 WeakPolarHBondContact O-CB 3.42Å; S24-Q27 PolarHBondContact O-N 2.89Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.1Å; S24-Q27 PolarHBondContact OG-OE1 2.81Å; S24-I28 PolarHBondContact O-N 3.12Å
25K95.5Very high95.2Very high88 Ų8866.3 Ų66.338%0.38332%0.318SS..Hα-helixtrans-46.1-45.5171.6176.1160.2-169.7177.60112.7D11 I14 Q27 I28 V29D11-K25 WeakPolarHBondContact OD1-CE 3.48Å; D11-K25 IonicContact OD1-NZ 2.63Å; D11-K25 PolarHBondContact OD1-NZ 3.27Å; D11-K25 IonicContact OD2-NZ 3.06Å; D11-K25 PolarHBondContact OD2-NZ 3.31Å; I14-K25 HydrophobicContact CG2-CB 3.97Å; I14-K25 HydrophobicContact CG2-CD 4.15Å; I14-K25 HydrophobicContact CG2-CG 3.81Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 2.82Å; K25-I28 PolarHBondContact O-N 2.87Å; K25-V29 WeakPolarHBondContact O-CG2 3.25Å; K25-V29 PolarHBondContact O-N 3.31Å
26K95.1Very high95.1Very high163 Ų16366.7 Ų66.771%0.70932%0.318SS*.Hα-helixtrans-61.9-38177.1-69.4-175.2179.1-179.70113S24 R30S24-K26 PolarHBondContact O-N 3.11Å; S24-K26 VanDerWaalsContact O-N 3.17Å; K26-R30 WeakPolarHBondContact O-CG 3.27Å; K26-R30 PolarHBondContact O-N 3.45Å
27Q96.5Very high94.9Very high84 Ų8466 Ų6639%0.39332%0.321SS..Hα-helixtrans-70.5-42.8177.1-74.5168-50.600111.2F23 S24 K25 R30 L31F23-Q27 HydrophobicContact CB-CB 4.07Å; F23-Q27 HydrophobicContact CD1-CB 4.05Å; F23-Q27 HydrophobicContact CG-CB 4.38Å; S24-Q27 WeakPolarHBondContact O-CA 3.27Å; S24-Q27 WeakPolarHBondContact O-CB 3.42Å; S24-Q27 PolarHBondContact O-N 2.89Å; S24-Q27 WeakPolarHBondContact OG-CG 3.44Å; S24-Q27 PolarHBondContact OG-N 3.1Å; S24-Q27 PolarHBondContact OG-OE1 2.81Å; K25-Q27 VanDerWaalsContact C-N 3.33Å; K25-Q27 PolarHBondContact O-N 2.82Å; Q27-R30 PolarHBondContact O-N 3.3Å; Q27-L31 VanDerWaalsContact O-CG 3.31Å; Q27-L31 WeakPolarHBondContact O-CG 3.31Å; Q27-L31 PolarHBondContact O-N 3.41Å
28I97.1Very high94.8Very high0 Ų067.2 Ų67.20%033%0.328CS..Hα-helixtrans-61.2-47.5178.4-65.7165.1000110.7L9 I14 I17 Q18 F23 S24 K25 R30 L31 Y32 F82L9-I28 HydrophobicContact CD1-CG2 3.83Å; I14-I28 HydrophobicContact CG1-CG2 4.44Å; I14-I28 HydrophobicContact CG2-CD1 4.19Å; I17-I28 HydrophobicContact CB-CD1 3.95Å; I17-I28 HydrophobicContact CD1-CG2 4.48Å; I17-I28 HydrophobicContact CG2-CD1 3.58Å; I17-I28 HydrophobicContact CG2-CG1 3.82Å; I17-I28 HydrophobicContact CG2-CG2 4.19Å; Q18-I28 HydrophobicContact CB-CD1 4.16Å; Q18-I28 HydrophobicContact CG-CD1 3.27Å; F23-I28 HydrophobicContact CB-CD1 4.28Å; F23-I28 HydrophobicContact CB-CG1 3.76Å; S24-I28 PolarHBondContact O-N 3.12Å; K25-I28 PolarHBondContact O-N 2.87Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 2.94Å; I28-L31 PolarHBondContact O-N 3.01Å; I28-L31 VanDerWaalsContact O-N 3.12Å; I28-Y32 WeakPolarHBondContact O-CB 3.26Å; I28-Y32 PolarHBondContact O-N 2.84Å; I28-F82 HydrophobicContact CG2-CE1 4.05Å; I28-F82 HydrophobicContact CG2-CZ 4.04Å
29V94.9Very high94.7Very high61 Ų6164.4 Ų64.437%0.3732%0.315SS..Hα-helixtrans-59.8-40.5177.4172.30000111.7I14 K25 Y32 S33I14-V29 HydrophobicContact CD1-CG2 4.19Å; K25-V29 WeakPolarHBondContact O-CG2 3.25Å; K25-V29 PolarHBondContact O-N 3.31Å; V29-Y32 PolarHBondContact O-N 2.95Å; V29-S33 PolarHBondContact O-N 3.38Å
30R95.8Very high94.3Very high182 Ų18263.8 Ų63.869%0.68731%0.312SS*.Hα-helixtrans-65.8-41.3175-75.2176.7179.8168.4-1.1112.3K26 Q27 I28 Y32 S33 R34K26-R30 WeakPolarHBondContact O-CG 3.27Å; K26-R30 PolarHBondContact O-N 3.45Å; Q27-R30 PolarHBondContact O-N 3.3Å; I28-R30 VanDerWaalsContact C-N 3.3Å; I28-R30 PolarHBondContact O-N 2.94Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; R30-S33 PolarHBondContact O-N 3.35Å; R30-R34 WeakPolarHBondContact O-CG 3.47Å; R30-R34 PolarHBondContact O-N 3Å; R30-R34 VanDerWaalsContact O-N 3.1Å
31L96.2Very high93.8Very high19 Ų1964.4 Ų64.410%0.09932%0.323CS..Hα-helixtrans-64.8-39.3176.2-71.4172.8000111.1F23 Q27 I28 R34 F35 F82 F85 V86 L89F23-L31 HydrophobicContact CD1-CD1 4.47Å; F23-L31 HydrophobicContact CD2-CD1 3.98Å; F23-L31 HydrophobicContact CE1-CD1 4.35Å; F23-L31 HydrophobicContact CE2-CD1 3.87Å; F23-L31 HydrophobicContact CG-CD1 4.31Å; F23-L31 HydrophobicContact CZ-CD1 4.06Å; Q27-L31 VanDerWaalsContact O-CG 3.31Å; Q27-L31 WeakPolarHBondContact O-CG 3.31Å; Q27-L31 PolarHBondContact O-N 3.41Å; I28-L31 PolarHBondContact O-N 3.01Å; I28-L31 VanDerWaalsContact O-N 3.12Å; L31-R34 CarbonylContact O-C 3.59Å; L31-R34 WeakPolarHBondContact O-CB 3.33Å; L31-R34 PolarHBondContact O-N 3.24Å; L31-R34 VanDerWaalsContact O-N 3.16Å; L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.62Å; L31-F82 HydrophobicContact CB-CE2 4.18Å; L31-F82 HydrophobicContact CB-CZ 4.38Å; L31-F85 HydrophobicContact CD2-CE1 4.49Å; L31-V86 HydrophobicContact CB-CG1 4.06Å; L31-V86 HydrophobicContact CD1-CG1 3.94Å; L31-L89 HydrophobicContact CD2-CD1 3.67Å
32Y95Very high93.2Very high60 Ų6069.4 Ų69.424%0.23536%0.358CS..Hα-helixtrans-63.2-45.4176.1-170.7-102.4000111.7L7 L9 I28 V29 R30 R34 F35 T36 F82L7-Y32 WeakPolarHBondContact O-CE1 3.28Å; L9-Y32 HydrophobicContact CD1-CD1 4.31Å; L9-Y32 HydrophobicContact CD1-CD2 3.52Å; L9-Y32 HydrophobicContact CD1-CE2 4.25Å; L9-Y32 HydrophobicContact CD1-CG 3.54Å; L9-Y32 HydrophobicContact CD2-CD2 3.74Å; L9-Y32 HydrophobicContact CD2-CE2 3.66Å; L9-Y32 HydrophobicContact CD2-CG 4.46Å; L9-Y32 HydrophobicContact CG-CD1 4.23Å; L9-Y32 HydrophobicContact CG-CD2 3.57Å; L9-Y32 HydrophobicContact CG-CE1 4.42Å; L9-Y32 HydrophobicContact CG-CE2 3.77Å; L9-Y32 HydrophobicContact CG-CG 3.79Å; I28-Y32 WeakPolarHBondContact O-CB 3.26Å; I28-Y32 PolarHBondContact O-N 2.84Å; V29-Y32 PolarHBondContact O-N 2.95Å; R30-Y32 VanDerWaalsContact C-N 3.33Å; Y32-R34 PolarHBondContact O-N 3.41Å; Y32-F35 WeakPolarHBondContact O-CB 3.36Å; Y32-F35 PolarHBondContact O-N 2.91Å; Y32-F35 VanDerWaalsContact O-N 3.1Å; Y32-T36 HydrophobicContact CD1-CG2 4.07Å; Y32-T36 HydrophobicContact CE1-CG2 3.61Å; Y32-T36 HydrophobicContact CE2-CG2 4.25Å; Y32-T36 WeakPolarHBondContact O-CG2 3.33Å; Y32-T36 PolarHBondContact O-N 3.34Å; Y32-T36 PolarHBondContact O-OG1 3.47Å; Y32-T36 VanDerWaalsContact O-OG1 3.11Å; Y32-F82 HydrophobicContact CD2-CB 4.44Å; Y32-F82 AromaticContact CD2-CD1 3.69Å; Y32-F82 HydrophobicContact CD2-CD1 3.69Å; Y32-F82 AromaticContact CD2-CD2 3.76Å; Y32-F82 HydrophobicContact CD2-CD2 3.76Å; Y32-F82 AromaticContact CD2-CE1 3.79Å; Y32-F82 HydrophobicContact CD2-CE1 3.79Å; Y32-F82 AromaticContact CD2-CE2 3.87Å; Y32-F82 HydrophobicContact CD2-CE2 3.87Å; Y32-F82 AromaticContact CD2-CG 3.66Å; Y32-F82 HydrophobicContact CD2-CG 3.66Å; Y32-F82 AromaticContact CD2-CZ 3.86Å; Y32-F82 HydrophobicContact CD2-CZ 3.86Å; Y32-F82 HydrophobicContact CE2-CD1 4.27Å; Y32-F82 HydrophobicContact CE2-CG 4.18Å; Y32-F82 HydrophobicContact CG-CE1 4.48Å; Y32-F82 HydrophobicContact CG-CE2 4.33Å; Y32-F82 HydrophobicContact CG-CZ 4.25Å
33S93.5Very high92.8Very high74 Ų7471.4 Ų71.452%0.51737%0.366SS..Hα-helixtrans-60.3-32.3173.9177.30000113V29 R30 T36 S37V29-S33 PolarHBondContact O-N 3.38Å; R30-S33 PolarHBondContact O-N 3.35Å; S33-T36 PolarHBondContact O-OG1 3.21Å; S33-S37 WeakPolarHBondContact O-CB 3.21Å; S33-S37 PolarHBondContact O-N 3.16Å; S33-S37 PolarHBondContact O-OG 3.39Å
34R92.9Very high92.4Very high142 Ų14272.6 Ų72.654%0.53638%0.384SS..Hα-helixtrans-75.6-36.2173.9-70.8-179.470.5-172.23.6112.3R30 L31 Y32 S37 L38R30-R34 WeakPolarHBondContact O-CG 3.47Å; R30-R34 PolarHBondContact O-N 3Å; R30-R34 VanDerWaalsContact O-N 3.1Å; L31-R34 CarbonylContact O-C 3.59Å; L31-R34 WeakPolarHBondContact O-CB 3.33Å; L31-R34 PolarHBondContact O-N 3.24Å; L31-R34 VanDerWaalsContact O-N 3.16Å; Y32-R34 PolarHBondContact O-N 3.41Å; R34-S37 PolarHBondContact O-N 3Å; R34-S37 PolarHBondContact O-OG 2.65Å; R34-L38 WeakPolarHBondContact O-CG 3.31Å; R34-L38 PolarHBondContact O-N 3.05Å
35F94.6Very high92.3Very high4 Ų470.9 Ų70.92%0.01837%0.373CS..Hα-helixtrans-64.3-50.2176.6179.6-88.3000110.7L31 Y32 S37 L38 D39 G44 L46 V80 F82 F85L31-F35 WeakPolarHBondContact O-CB 3.44Å; L31-F35 PolarHBondContact O-N 2.62Å; Y32-F35 WeakPolarHBondContact O-CB 3.36Å; Y32-F35 PolarHBondContact O-N 2.91Å; Y32-F35 VanDerWaalsContact O-N 3.1Å; F35-S37 VanDerWaalsContact C-N 3.28Å; F35-S37 PolarHBondContact O-N 2.8Å; F35-L38 PolarHBondContact O-N 3Å; F35-L38 VanDerWaalsContact O-N 3.11Å; F35-D39 PolarHBondContact O-N 3.11Å; F35-G44 WeakPolarHBondContact CZ-O 3.43Å; F35-L46 HydrophobicContact CD2-CD1 3.47Å; F35-L46 VanDerWaalsContact CD2-CD1 3.47Å; F35-L46 HydrophobicContact CD2-CG 3.87Å; F35-L46 HydrophobicContact CE2-CB 4.46Å; F35-L46 HydrophobicContact CE2-CD1 3.58Å; F35-L46 HydrophobicContact CE2-CG 3.52Å; F35-L46 HydrophobicContact CG-CD1 4.32Å; F35-L46 HydrophobicContact CZ-CD1 4.47Å; F35-L46 HydrophobicContact CZ-CG 3.97Å; F35-V80 WeakPolarHBondContact CE2-O 3.43Å; F35-V80 WeakPolarHBondContact CZ-O 3.39Å; F35-F82 HydrophobicContact CB-CD2 3.69Å; F35-F82 HydrophobicContact CB-CE2 4.13Å; F35-F82 HydrophobicContact CD1-CB 4.13Å; F35-F82 HydrophobicContact CD1-CD2 4.15Å; F35-F82 HydrophobicContact CD2-CB 4.35Å; F35-F82 AromaticContact CD2-CD2 3.96Å; F35-F82 HydrophobicContact CD2-CD2 3.96Å; F35-F82 HydrophobicContact CE1-CB 4.03Å; F35-F82 HydrophobicContact CE2-CB 4.23Å; F35-F82 HydrophobicContact CG-CB 4.29Å; F35-F82 AromaticContact CG-CD2 3.67Å; F35-F82 HydrophobicContact CG-CD2 3.67Å; F35-F82 HydrophobicContact CG-CG 4.44Å; F35-F82 HydrophobicContact CZ-CB 4.07Å; F35-F85 HydrophobicContact CB-CD1 4.39Å; F35-F85 HydrophobicContact CB-CE1 4.4Å; F35-F85 HydrophobicContact CD2-CB 3.89Å; F35-F85 AromaticContact CD2-CD1 3.89Å; F35-F85 HydrophobicContact CD2-CD1 3.89Å; F35-F85 HydrophobicContact CD2-CD2 4.33Å; F35-F85 HydrophobicContact CD2-CE1 4.49Å; F35-F85 AromaticContact CD2-CG 3.79Å; F35-F85 HydrophobicContact CD2-CG 3.79Å; F35-F85 HydrophobicContact CE2-CB 4Å; F35-F85 HydrophobicContact CE2-CG 4.34Å
36T92.7Very high92.2Very high58 Ų5866.7 Ų66.736%0.35636%0.355SS..Hα-helixtrans-67.6-27.5178.556.40000112.9Y32 S33 L38Y32-T36 HydrophobicContact CD1-CG2 4.07Å; Y32-T36 HydrophobicContact CE1-CG2 3.61Å; Y32-T36 HydrophobicContact CE2-CG2 4.25Å; Y32-T36 WeakPolarHBondContact O-CG2 3.33Å; Y32-T36 PolarHBondContact O-N 3.34Å; Y32-T36 PolarHBondContact O-OG1 3.47Å; Y32-T36 VanDerWaalsContact O-OG1 3.11Å; S33-T36 PolarHBondContact O-OG1 3.21Å; T36-L38 VanDerWaalsContact C-N 3.3Å
37S92.7Very high92.1Very high60 Ų6060 Ų6042%0.4233%0.331SS..Hα-helixtrans-72.7-24.6174.374.40000113.2S33 R34 F35 K40S33-S37 WeakPolarHBondContact O-CB 3.21Å; S33-S37 PolarHBondContact O-N 3.16Å; S33-S37 PolarHBondContact O-OG 3.39Å; R34-S37 PolarHBondContact O-N 3Å; R34-S37 PolarHBondContact O-OG 2.65Å; F35-S37 VanDerWaalsContact C-N 3.28Å; F35-S37 PolarHBondContact O-N 2.8Å; S37-K40 WeakPolarHBondContact O-CE 3.45Å; S37-K40 PolarHBondContact O-NZ 3.48Å
38L93.6Very high91.9Very high27 Ų2758.8 Ų58.814%0.14133%0.33CS..Hα-helixtrans-82.5-38.7173.6-69.4171000112.2R34 F35 T36 K40 L46 I54R34-L38 WeakPolarHBondContact O-CG 3.31Å; R34-L38 PolarHBondContact O-N 3.05Å; F35-L38 PolarHBondContact O-N 3Å; F35-L38 VanDerWaalsContact O-N 3.11Å; T36-L38 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 2.91Å; L38-L46 HydrophobicContact CB-CD1 4.28Å; L38-L46 HydrophobicContact CB-CD2 3.67Å; L38-L46 HydrophobicContact CD1-CD1 4.24Å; L38-I54 HydrophobicContact CD1-CD1 3.91Å; L38-I54 HydrophobicContact CD1-CG1 4.2Å; L38-I54 HydrophobicContact CD2-CD1 4.25Å; L38-I54 HydrophobicContact CD2-CG1 3.62Å
39D92.6Very high91.6Very high9 Ų964.5 Ų64.55%0.04836%0.357CS..  trans-73.870.4176.2-179.719.9000111.6F35 S41 S42 T43 G44 L46F35-D39 PolarHBondContact O-N 3.11Å; D39-S41 PolarHBondContact O-N 2.83Å; D39-S41 PolarHBondContact OD1-OG 2.74Å; D39-S41 VanDerWaalsContact OD1-OG 3.11Å; D39-S42 PolarHBondContact O-N 3.17Å; D39-S42 PolarHBondContact OD1-N 3.38Å; D39-S42 WeakPolarHBondContact OD2-CA 3.49Å; D39-T43 VanDerWaalsContact CG-N 3.31Å; D39-T43 PolarHBondContact OD1-N 3.29Å; D39-T43 PolarHBondContact OD1-OG1 3.26Å; D39-T43 PolarHBondContact OD2-N 3.23Å; D39-G44 WeakPolarHBondContact OD2-CA 3.42Å; D39-G44 PolarHBondContact OD2-N 3.23Å; D39-L46 HydrophobicContact CB-CD2 3.71Å
40K86Confident91.5Very high149 Ų14962.2 Ų62.265%0.64834%0.342SS*.THydrogen-bonded Turntrans-60.5-30.1-179.9-65.1-54.2-170.1-1610112.8S37 L38 S42S37-K40 WeakPolarHBondContact O-CE 3.45Å; S37-K40 PolarHBondContact O-NZ 3.48Å; L38-K40 PolarHBondContact O-N 2.91Å; K40-S42 PolarHBondContact O-N 2.93Å
41S84.4Confident91.4Very high75 Ų7553.7 Ų53.752%0.52431%0.31SS..THydrogen-bonded Turntrans-77.9-5.7177.444.50000113.6D39 T43D39-S41 PolarHBondContact O-N 2.83Å; D39-S41 PolarHBondContact OD1-OG 2.74Å; D39-S41 VanDerWaalsContact OD1-OG 3.11Å; S41-T43 PolarHBondContact O-N 3Å; S41-T43 WeakPolarHBondContact OG-CG2 3.46Å
42S82.3Confident91.1Very high105 Ų10555.5 Ų55.573%0.73432%0.32SS*.  trans51.440.3-177.4-56.60000112.7D39 K40D39-S42 PolarHBondContact O-N 3.17Å; D39-S42 PolarHBondContact OD1-N 3.38Å; D39-S42 WeakPolarHBondContact OD2-CA 3.49Å; K40-S42 PolarHBondContact O-N 2.93Å
43T85.6Confident90.9Very high69 Ų6959.2 Ų59.242%0.42333%0.333SS..  trans-85-13.3-178.464.20000113.1D39 S41 A45D39-T43 VanDerWaalsContact CG-N 3.31Å; D39-T43 PolarHBondContact OD1-N 3.29Å; D39-T43 PolarHBondContact OD1-OG1 3.26Å; D39-T43 PolarHBondContact OD2-N 3.23Å; S41-T43 PolarHBondContact O-N 3Å; S41-T43 WeakPolarHBondContact OG-CG2 3.46Å; T43-A45 VanDerWaalsContact C-N 3.28Å; T43-A45 PolarHBondContact OG1-N 3.35Å; T43-A45 PolarHBondContact OG1-O 3.35Å
44G88.8Confident90.9Very high47 Ų4757.1 Ų57.149%0.48532%0.316SS..SBendtrans82.7-0.4-172.500000114.1F35 D39F35-G44 WeakPolarHBondContact CZ-O 3.43Å; D39-G44 WeakPolarHBondContact OD2-CA 3.42Å; D39-G44 PolarHBondContact OD2-N 3.23Å
45A92.7Very high90.8Very high13 Ų1354.6 Ų54.611%0.10732%0.318CS..EExtended strand (participates in β ladder)trans-141154.2179.800000111.6T43 R79 V80T43-A45 VanDerWaalsContact C-N 3.28Å; T43-A45 PolarHBondContact OG1-N 3.35Å; T43-A45 PolarHBondContact OG1-O 3.35Å; A45-R79 HydrophobicContact CB-CB 3.93Å; A45-V80 WeakPolarHBondContact CA-O 3.47Å
46L93.6Very high90.7Very high0 Ų060.9 Ų60.90%035%0.347CS..EExtended strand (participates in β ladder)trans-103.2132.5176.4-59.6176.7000110.5F35 L38 D39 D50 F51 F71 V80 F85F35-L46 HydrophobicContact CD2-CD1 3.47Å; F35-L46 VanDerWaalsContact CD2-CD1 3.47Å; F35-L46 HydrophobicContact CD2-CG 3.87Å; F35-L46 HydrophobicContact CE2-CB 4.46Å; F35-L46 HydrophobicContact CE2-CD1 3.58Å; F35-L46 HydrophobicContact CE2-CG 3.52Å; F35-L46 HydrophobicContact CG-CD1 4.32Å; F35-L46 HydrophobicContact CZ-CD1 4.47Å; F35-L46 HydrophobicContact CZ-CG 3.97Å; L38-L46 HydrophobicContact CB-CD1 4.28Å; L38-L46 HydrophobicContact CB-CD2 3.67Å; L38-L46 HydrophobicContact CD1-CD1 4.24Å; D39-L46 HydrophobicContact CB-CD2 3.71Å; L46-D50 WeakPolarHBondContact CA-OD2 3.36Å; L46-D50 HydrophobicContact CB-CB 4.23Å; L46-D50 HydrophobicContact CD2-CB 3.84Å; L46-F51 HydrophobicContact CB-CD2 4.35Å; L46-F51 HydrophobicContact CB-CE2 3.72Å; L46-F51 HydrophobicContact CB-CZ 4.39Å; L46-F51 HydrophobicContact CD1-CE2 4.18Å; L46-F51 HydrophobicContact CD1-CZ 4.11Å; L46-F71 WeakPolarHBondContact O-CE1 3.35Å; L46-V80 HydrophobicContact CB-CB 4.45Å; L46-V80 PolarHBondContact N-O 2.88Å; L46-V80 PolarHBondContact O-N 3.25Å; L46-F85 HydrophobicContact CD1-CD2 4.16Å; L46-F85 HydrophobicContact CD1-CE2 4.29Å
47G93.1Very high90.7Very high21 Ų2158.9 Ų58.922%0.21633%0.334CS..  trans-97172.9166.400000111.9E49 D50 F51 F71G47-E49 PolarHBondContact O-N 2.86Å; G47-D50 PolarHBondContact N-OD2 3.04Å; G47-D50 WeakPolarHBondContact O-CB 3.46Å; G47-D50 PolarHBondContact O-N 3.48Å; G47-F51 WeakPolarHBondContact O-CD2 3.32Å; G47-F71 VanDerWaalsContact C-CZ 3.42Å
48V91.7Very high90.5Very high60 Ų6058.3 Ų58.336%0.36433%0.333SS..Hα-helixtrans-50.6-45.4179.4170.40000111.6D50 F51 L52 V67 F71V48-D50 PolarHBondContact O-N 3Å; V48-F51 PolarHBondContact O-N 3.01Å; V48-F51 VanDerWaalsContact O-N 3.08Å; V48-L52 HydrophobicContact CG1-CD1 4.09Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CG 3.48Å; V48-L52 PolarHBondContact O-N 3.13Å; V48-L52 VanDerWaalsContact O-N 3.11Å; V48-V67 HydrophobicContact CB-CG1 4.43Å; V48-V67 HydrophobicContact CG1-CG1 4.04Å; V48-V67 HydrophobicContact CG2-CG1 4.33Å; V48-F71 HydrophobicContact CB-CE2 4.42Å; V48-F71 HydrophobicContact CG2-CD2 3.95Å; V48-F71 HydrophobicContact CG2-CE1 4.34Å; V48-F71 HydrophobicContact CG2-CE2 3.68Å; V48-F71 HydrophobicContact CG2-CG 4.45Å; V48-F71 HydrophobicContact CG2-CZ 3.9Å; V48-F71 VanDerWaalsContact N-CZ 3.32Å
49E90.7Very high90.3Very high120 Ų12064 Ų6456%0.56136%0.363SS*.Hα-helixtrans-59.3-30.9179.2-65.6-56.2138.600113.7G47 L52 R53G47-E49 PolarHBondContact O-N 2.86Å; E49-L52 PolarHBondContact O-N 3.43Å; E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.04Å
50D93.9Very high90.2Very high13 Ų1366.3 Ų66.37%0.0738%0.375CS..Hα-helixtrans-70.9-36.3178.1-58.1-51.7000111.2L46 G47 V48 R53L46-D50 WeakPolarHBondContact CA-OD2 3.36Å; L46-D50 HydrophobicContact CB-CB 4.23Å; L46-D50 HydrophobicContact CD2-CB 3.84Å; G47-D50 PolarHBondContact N-OD2 3.04Å; G47-D50 WeakPolarHBondContact O-CB 3.46Å; G47-D50 PolarHBondContact O-N 3.48Å; V48-D50 PolarHBondContact O-N 3Å; D50-R53 PolarHBondContact O-N 3.34Å; D50-R53 IonicContact OD1-CZ 3.83Å; D50-R53 IonicContact OD1-NH1 2.65Å; D50-R53 PolarHBondContact OD1-NH1 2.86Å
51F93.4Very high90.4Very high3 Ų362.3 Ų62.31%0.01336%0.364CS..Hα-helixtrans-70.4-37.4174.5-72.4-93.8000112.2L46 G47 V48 R53 I54 L57 V67 F70 F71 V80 F85L46-F51 HydrophobicContact CB-CD2 4.35Å; L46-F51 HydrophobicContact CB-CE2 3.72Å; L46-F51 HydrophobicContact CB-CZ 4.39Å; L46-F51 HydrophobicContact CD1-CE2 4.18Å; L46-F51 HydrophobicContact CD1-CZ 4.11Å; G47-F51 WeakPolarHBondContact O-CD2 3.32Å; V48-F51 PolarHBondContact O-N 3.01Å; V48-F51 VanDerWaalsContact O-N 3.08Å; F51-R53 PolarHBondContact O-N 3.46Å; F51-I54 HydrophobicContact CD1-CD1 4.19Å; F51-I54 WeakPolarHBondContact O-CB 3.41Å; F51-I54 WeakPolarHBondContact O-CG1 3.13Å; F51-I54 PolarHBondContact O-N 3.27Å; F51-L57 HydrophobicContact CB-CD2 4.24Å; F51-V67 HydrophobicContact CB-CG1 4.14Å; F51-V67 HydrophobicContact CB-CG2 3.78Å; F51-V67 HydrophobicContact CG-CG1 4.49Å; F51-F70 HydrophobicContact CD1-CD2 4.25Å; F51-F70 HydrophobicContact CD1-CE2 4.45Å; F51-F70 HydrophobicContact CE1-CB 4.21Å; F51-F70 AromaticContact CE1-CD1 3.76Å; F51-F70 HydrophobicContact CE1-CD1 3.76Å; F51-F70 AromaticContact CE1-CD2 3.62Å; F51-F70 HydrophobicContact CE1-CD2 3.62Å; F51-F70 AromaticContact CE1-CE1 3.96Å; F51-F70 HydrophobicContact CE1-CE1 3.96Å; F51-F70 AromaticContact CE1-CE2 3.84Å; F51-F70 HydrophobicContact CE1-CE2 3.84Å; F51-F70 AromaticContact CE1-CG 3.59Å; F51-F70 HydrophobicContact CE1-CG 3.59Å; F51-F70 HydrophobicContact CE1-CZ 4Å; F51-F70 HydrophobicContact CE2-CB 4.38Å; F51-F70 HydrophobicContact CZ-CB 3.82Å; F51-F70 AromaticContact CZ-CD1 3.69Å; F51-F70 HydrophobicContact CZ-CD1 3.69Å; F51-F70 HydrophobicContact CZ-CD2 4.12Å; F51-F70 HydrophobicContact CZ-CE1 4.26Å; F51-F70 AromaticContact CZ-CG 3.61Å; F51-F70 HydrophobicContact CZ-CG 3.61Å; F51-F71 AromaticContact CD2-CE2 3.8Å; F51-F71 HydrophobicContact CD2-CE2 3.8Å; F51-F71 AromaticContact CD2-CZ 3.77Å; F51-F71 HydrophobicContact CD2-CZ 3.77Å; F51-F71 AromaticContact CE2-CE2 3.84Å; F51-F71 HydrophobicContact CE2-CE2 3.84Å; F51-F71 AromaticContact CE2-CZ 3.63Å; F51-F71 HydrophobicContact CE2-CZ 3.63Å; F51-V80 HydrophobicContact CE2-CB 4.38Å; F51-V80 HydrophobicContact CE2-CG2 4.35Å; F51-V80 HydrophobicContact CZ-CB 4.5Å; F51-V80 HydrophobicContact CZ-CG1 4.36Å; F51-F85 HydrophobicContact CE1-CD2 4.19Å; F51-F85 AromaticContact CE1-CE2 3.96Å; F51-F85 HydrophobicContact CE1-CE2 3.96Å; F51-F85 HydrophobicContact CZ-CD2 4.02Å; F51-F85 HydrophobicContact CZ-CE2 4.22Å
52L90.3Very high90.7Very high56 Ų5660.5 Ų60.529%0.29335%0.348SS..Hα-helixtrans-64.6-18.6178.9-66.3-179.6000113.2V48 E49 I54 V67V48-L52 HydrophobicContact CG1-CD1 4.09Å; V48-L52 HydrophobicContact CG1-CG 4.34Å; V48-L52 WeakPolarHBondContact O-CG 3.48Å; V48-L52 PolarHBondContact O-N 3.13Å; V48-L52 VanDerWaalsContact O-N 3.11Å; E49-L52 PolarHBondContact O-N 3.43Å; L52-I54 VanDerWaalsContact C-N 3.27Å; L52-I54 PolarHBondContact O-N 3.08Å; L52-V67 HydrophobicContact CD2-CG2 4.4Å
53R90.4Very high91.1Very high139 Ų13960.5 Ų60.553%0.52533%0.332SS..THydrogen-bonded Turntrans-75.9-10.4173-69.2172.2-172.31348.6113.9E49 D50 F51 P55E49-R53 WeakPolarHBondContact O-CG 3.42Å; E49-R53 PolarHBondContact O-N 3.04Å; D50-R53 PolarHBondContact O-N 3.34Å; D50-R53 IonicContact OD1-CZ 3.83Å; D50-R53 IonicContact OD1-NH1 2.65Å; D50-R53 PolarHBondContact OD1-NH1 2.86Å; F51-R53 PolarHBondContact O-N 3.46Å; R53-P55 WeakPolarHBondContact O-CD 3.36Å
54I93.7Very high91.3Very high30 Ų3061 Ų6115%0.15433%0.332CS..  trans-73.3113.2178.2-61.3167.3000108.4L38 F51 L52 E56 L57 A58L38-I54 HydrophobicContact CD1-CD1 3.91Å; L38-I54 HydrophobicContact CD1-CG1 4.2Å; L38-I54 HydrophobicContact CD2-CD1 4.25Å; L38-I54 HydrophobicContact CD2-CG1 3.62Å; F51-I54 HydrophobicContact CD1-CD1 4.19Å; F51-I54 WeakPolarHBondContact O-CB 3.41Å; F51-I54 WeakPolarHBondContact O-CG1 3.13Å; F51-I54 PolarHBondContact O-N 3.27Å; L52-I54 VanDerWaalsContact C-N 3.27Å; L52-I54 PolarHBondContact O-N 3.08Å; I54-E56 VanDerWaalsContact C-N 3.32Å; I54-E56 WeakPolarHBondContact CG2-OE2 3.26Å; I54-E56 PolarHBondContact O-N 2.92Å; I54-L57 HydrophobicContact CB-CB 3.79Å; I54-L57 HydrophobicContact CD1-CD2 4.34Å; I54-L57 HydrophobicContact CG2-CB 3.86Å; I54-L57 CarbonylContact O-C 3.6Å; I54-L57 WeakPolarHBondContact O-CA 3.39Å; I54-L57 WeakPolarHBondContact O-CB 3.35Å; I54-L57 PolarHBondContact O-N 3.45Å; I54-A58 PolarHBondContact O-N 3.17Å
55P91.3Very high91.3Very high89 Ų8959.9 Ų59.958%0.57831%0.314SS*.Hα-helixtrans-60.8-40-173.5-25.136.1000113.3R53 L57 A58 I59R53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-L57 PolarHBondContact O-N 2.63Å; P55-A58 PolarHBondContact O-N 2.97Å; P55-I59 PolarHBondContact O-N 3.48Å
56E91.7Very high91.1Very high135 Ų13561.1 Ų61.163%0.63132%0.319SS*.Hα-helixtrans-67.4-26.5178.3-58.385.7169.200112.2I54I54-E56 VanDerWaalsContact C-N 3.32Å; I54-E56 WeakPolarHBondContact CG2-OE2 3.26Å; I54-E56 PolarHBondContact O-N 2.92Å
57L92.4Very high91Very high17 Ų1761.2 Ų61.29%0.08932%0.32CS..Hα-helixtrans-82.3-35.6174.4-166.856.3000110.9F51 I54 P55 I59 N60 R63 I66 V67F51-L57 HydrophobicContact CB-CD2 4.24Å; I54-L57 HydrophobicContact CB-CB 3.79Å; I54-L57 HydrophobicContact CD1-CD2 4.34Å; I54-L57 HydrophobicContact CG2-CB 3.86Å; I54-L57 CarbonylContact O-C 3.6Å; I54-L57 WeakPolarHBondContact O-CA 3.39Å; I54-L57 WeakPolarHBondContact O-CB 3.35Å; I54-L57 PolarHBondContact O-N 3.45Å; P55-L57 PolarHBondContact O-N 2.63Å; L57-I59 PolarHBondContact O-N 3.36Å; L57-N60 HydrophobicContact CD1-CB 4.24Å; L57-N60 VanDerWaalsContact O-CB 3.29Å; L57-N60 WeakPolarHBondContact O-CB 3.39Å; L57-N60 PolarHBondContact O-N 3.04Å; L57-R63 HydrophobicContact CD1-CB 4.13Å; L57-R63 HydrophobicContact CG-CB 4.11Å; L57-R63 WeakPolarHBondContact O-CB 3.21Å; L57-I66 HydrophobicContact CD1-CB 4.05Å; L57-I66 HydrophobicContact CD1-CD1 3.88Å; L57-I66 HydrophobicContact CD1-CG2 3.88Å; L57-V67 HydrophobicContact CD2-CG2 3.62Å; L57-V67 HydrophobicContact CG-CG2 4.46Å
58A88.2Confident90.8Very high48 Ų4863.9 Ų63.940%0.39733%0.329SS..Hα-helixtrans-60.1-32.8179.900000113I54 P55I54-A58 PolarHBondContact O-N 3.17Å; P55-A58 PolarHBondContact O-N 2.97Å
59I90.1Very high90.6Very high147 Ų14761.7 Ų61.775%0.75432%0.317SS*.THydrogen-bonded Turntrans-89.8-3.6175.466.1170.9000113.8P55 L57P55-I59 PolarHBondContact O-N 3.48Å; L57-I59 PolarHBondContact O-N 3.36Å
60N91Very high90.6Very high56 Ų5656.8 Ų56.830%0.29929%0.294SS..  trans-81.4125.7-178.5-167.7-51.8000110.1L57 L62 R63L57-N60 HydrophobicContact CD1-CB 4.24Å; L57-N60 VanDerWaalsContact O-CB 3.29Å; L57-N60 WeakPolarHBondContact O-CB 3.39Å; L57-N60 PolarHBondContact O-N 3.04Å; N60-L62 PolarHBondContact O-N 3.16Å; N60-L62 WeakPolarHBondContact OD1-CA 3.08Å; N60-L62 WeakPolarHBondContact OD1-CB 3.32Å; N60-L62 PolarHBondContact OD1-N 3.05Å; N60-R63 VanDerWaalsContact O-CB 3.26Å; N60-R63 WeakPolarHBondContact O-CB 3.44Å; N60-R63 PolarHBondContact O-N 3.23Å
61P89.2Confident90.5Very high66 Ų6656.8 Ų56.843%0.42929%0.293SS..THydrogen-bonded Turntrans-61.8-25.7177.9-24.434.3000114.6R63 M136P61-R63 VanDerWaalsContact C-N 3.29Å; P61-M136 HydrophobicContact CB-CB 4.36Å; P61-M136 WeakPolarHBondContact CB-O 3.32Å
62L90.2Very high90Very high36 Ų3663 Ų6319%0.18832%0.32CS..THydrogen-bonded Turntrans-92.514.4179.1-51.4-178.8000112.2N60 D64 M65 I66 I133 M137N60-L62 PolarHBondContact O-N 3.16Å; N60-L62 WeakPolarHBondContact OD1-CA 3.08Å; N60-L62 WeakPolarHBondContact OD1-CB 3.32Å; N60-L62 PolarHBondContact OD1-N 3.05Å; L62-D64 VanDerWaalsContact C-N 3.29Å; L62-D64 PolarHBondContact O-N 3.17Å; L62-M65 HydrophobicContact CB-CE 4.34Å; L62-M65 HydrophobicContact CB-SD 4.25Å; L62-M65 HydrophobicContact CD2-CE 3.52Å; L62-M65 HydrophobicContact CD2-SD 3.72Å; L62-M65 PolarHBondContact O-N 3.23Å; L62-I66 HydrophobicContact CB-CD1 4.11Å; L62-I66 HydrophobicContact CB-CG1 4.33Å; L62-I66 WeakPolarHBondContact O-CG1 3.32Å; L62-I66 PolarHBondContact O-N 3.25Å; L62-I133 HydrophobicContact CD2-CG2 4.29Å; L62-M137 HydrophobicContact CD1-SD 4.31Å; L62-M137 HydrophobicContact CD2-CG 3.83Å; L62-M137 HydrophobicContact CD2-SD 4.3Å; L62-M137 HydrophobicContact CG-CG 4.33Å
63R91.3Very high89.2Confident106 Ų10664.3 Ų64.340%0.433%0.325SS..Hα-helixtrans-50.5-48.8-172.975.8-176.8-168-156.4-4.8112.1L57 N60 P61 M65 I66 V67L57-R63 HydrophobicContact CD1-CB 4.13Å; L57-R63 HydrophobicContact CG-CB 4.11Å; L57-R63 WeakPolarHBondContact O-CB 3.21Å; N60-R63 VanDerWaalsContact O-CB 3.26Å; N60-R63 WeakPolarHBondContact O-CB 3.44Å; N60-R63 PolarHBondContact O-N 3.23Å; P61-R63 VanDerWaalsContact C-N 3.29Å; R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.43Å; R63-I66 PolarHBondContact O-N 2.98Å; R63-V67 WeakPolarHBondContact O-CB 3.42Å; R63-V67 WeakPolarHBondContact O-CG2 3.42Å; R63-V67 PolarHBondContact O-N 3.14Å
64D89.9Confident88.7Confident79 Ų7958.4 Ų58.442%0.42231%0.305SS..Hα-helixtrans-70.2-35.4-170.2-60.2-39.6000109.7L62 N68L62-D64 VanDerWaalsContact C-N 3.29Å; L62-D64 PolarHBondContact O-N 3.17Å; D64-N68 WeakPolarHBondContact O-CB 3.4Å; D64-N68 PolarHBondContact O-N 3.03Å; D64-N68 PolarHBondContact O-ND2 3.38Å; D64-N68 VanDerWaalsContact O-ND2 3.13Å
65M87.9Confident87.8Confident23 Ų2366.3 Ų66.311%0.11334%0.342CS..Hα-helixtrans-68.7-43.5175.4-55.5159.5-129.600111.6L62 R63 N68 A69 M116 I133 M136L62-M65 HydrophobicContact CB-CE 4.34Å; L62-M65 HydrophobicContact CB-SD 4.25Å; L62-M65 HydrophobicContact CD2-CE 3.52Å; L62-M65 HydrophobicContact CD2-SD 3.72Å; L62-M65 PolarHBondContact O-N 3.23Å; R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.43Å; M65-N68 PolarHBondContact O-N 3.2Å; M65-A69 PolarHBondContact O-N 2.97Å; M65-M116 HydrophobicContact CB-CE 3.89Å; M65-M116 HydrophobicContact CB-SD 3.4Å; M65-M116 WeakPolarHBondContact CB-SD 3.5Å; M65-M116 WeakPolarHBondContact O-CE 3.48Å; M65-M116 HydrophobicContact SD-CB 4.07Å; M65-I133 HydrophobicContact CE-CD1 3.33Å; M65-I133 HydrophobicContact SD-CD1 3.52Å; M65-I133 VanDerWaalsContact SD-CD1 3.52Å; M65-M136 HydrophobicContact CE-SD 3.5Å; M65-M136 WeakPolarHBondContact CE-SD 3.49Å
66I89.6Confident87.3Confident40 Ų4066.3 Ų66.321%0.20534%0.336CS..Hα-helixtrans-61.5-47.2176.9-68166.7000110L57 L62 R63 A69 F70L57-I66 HydrophobicContact CD1-CB 4.05Å; L57-I66 HydrophobicContact CD1-CD1 3.88Å; L57-I66 HydrophobicContact CD1-CG2 3.88Å; L62-I66 HydrophobicContact CB-CD1 4.11Å; L62-I66 HydrophobicContact CB-CG1 4.33Å; L62-I66 WeakPolarHBondContact O-CG1 3.32Å; L62-I66 PolarHBondContact O-N 3.25Å; R63-I66 PolarHBondContact O-N 2.98Å; I66-A69 WeakPolarHBondContact O-CB 3.46Å; I66-A69 PolarHBondContact O-N 3.43Å; I66-F70 HydrophobicContact CG2-CE2 4.33Å; I66-F70 WeakPolarHBondContact O-CD2 3.5Å
67V91.7Very high86.8Confident2 Ų261.9 Ų61.91%0.01233%0.327CS..Hα-helixtrans-59.9-52.5177.6175.80000109.9V48 F51 L52 L57 R63 A69 F70 F71V48-V67 HydrophobicContact CB-CG1 4.43Å; V48-V67 HydrophobicContact CG1-CG1 4.04Å; V48-V67 HydrophobicContact CG2-CG1 4.33Å; F51-V67 HydrophobicContact CB-CG1 4.14Å; F51-V67 HydrophobicContact CB-CG2 3.78Å; F51-V67 HydrophobicContact CG-CG1 4.49Å; L52-V67 HydrophobicContact CD2-CG2 4.4Å; L57-V67 HydrophobicContact CD2-CG2 3.62Å; L57-V67 HydrophobicContact CG-CG2 4.46Å; R63-V67 WeakPolarHBondContact O-CB 3.42Å; R63-V67 WeakPolarHBondContact O-CG2 3.42Å; R63-V67 PolarHBondContact O-N 3.14Å; V67-A69 PolarHBondContact O-N 3.47Å; V67-A69 VanDerWaalsContact O-N 3.07Å; V67-F70 WeakPolarHBondContact O-CB 3.46Å; V67-F70 PolarHBondContact O-N 2.93Å; V67-F71 HydrophobicContact CG1-CD2 4.07Å; V67-F71 HydrophobicContact CG1-CE2 3.69Å; V67-F71 WeakPolarHBondContact O-CD2 3.29Å
68N89.1Confident86.6Confident77 Ų7767.9 Ų67.941%0.41236%0.355SS..Hα-helixtrans-55.3-31.4179-75.3-21.4000113D64 M65 F70 F71 F72D64-N68 WeakPolarHBondContact O-CB 3.4Å; D64-N68 PolarHBondContact O-N 3.03Å; D64-N68 PolarHBondContact O-ND2 3.38Å; D64-N68 VanDerWaalsContact O-ND2 3.13Å; M65-N68 PolarHBondContact O-N 3.2Å; N68-F70 VanDerWaalsContact C-N 3.27Å; N68-F70 PolarHBondContact O-N 3.1Å; N68-F71 PolarHBondContact O-N 3.2Å; N68-F72 PolarHBondContact O-N 2.82Å
69A87.4Confident86.7Confident14 Ų1471.8 Ų71.812%0.11636%0.359CS..Hα-helixtrans-69.7-21.8178.300000114.1M65 I66 V67 F112 M116M65-A69 PolarHBondContact O-N 2.97Å; I66-A69 WeakPolarHBondContact O-CB 3.46Å; I66-A69 PolarHBondContact O-N 3.43Å; V67-A69 PolarHBondContact O-N 3.47Å; V67-A69 VanDerWaalsContact O-N 3.07Å; A69-F112 HydrophobicContact CB-CD2 4.17Å; A69-F112 HydrophobicContact CB-CE2 3.22Å; A69-F112 HydrophobicContact CB-CZ 3.58Å; A69-M116 HydrophobicContact CB-CE 4.15Å
70F90.9Very high86.9Confident16 Ų1664.8 Ų64.87%0.0732%0.323CS..Hα-helixtrans-73.9-34.2169.7-77.6-92.4000111.9F51 I66 V67 N68 V80 H84 F85 V88 L89F51-F70 HydrophobicContact CD1-CD2 4.25Å; F51-F70 HydrophobicContact CD1-CE2 4.45Å; F51-F70 HydrophobicContact CE1-CB 4.21Å; F51-F70 AromaticContact CE1-CD1 3.76Å; F51-F70 HydrophobicContact CE1-CD1 3.76Å; F51-F70 AromaticContact CE1-CD2 3.62Å; F51-F70 HydrophobicContact CE1-CD2 3.62Å; F51-F70 AromaticContact CE1-CE1 3.96Å; F51-F70 HydrophobicContact CE1-CE1 3.96Å; F51-F70 AromaticContact CE1-CE2 3.84Å; F51-F70 HydrophobicContact CE1-CE2 3.84Å; F51-F70 AromaticContact CE1-CG 3.59Å; F51-F70 HydrophobicContact CE1-CG 3.59Å; F51-F70 HydrophobicContact CE1-CZ 4Å; F51-F70 HydrophobicContact CE2-CB 4.38Å; F51-F70 HydrophobicContact CZ-CB 3.82Å; F51-F70 AromaticContact CZ-CD1 3.69Å; F51-F70 HydrophobicContact CZ-CD1 3.69Å; F51-F70 HydrophobicContact CZ-CD2 4.12Å; F51-F70 HydrophobicContact CZ-CE1 4.26Å; F51-F70 AromaticContact CZ-CG 3.61Å; F51-F70 HydrophobicContact CZ-CG 3.61Å; I66-F70 HydrophobicContact CG2-CE2 4.33Å; I66-F70 WeakPolarHBondContact O-CD2 3.5Å; V67-F70 WeakPolarHBondContact O-CB 3.46Å; V67-F70 PolarHBondContact O-N 2.93Å; N68-F70 VanDerWaalsContact C-N 3.27Å; N68-F70 PolarHBondContact O-N 3.1Å; F70-V80 HydrophobicContact CB-CG2 3.99Å; F70-V80 HydrophobicContact CD1-CG1 4.4Å; F70-H84 PolarHBondContact O-CD2 3.32Å; F70-H84 PolarHBondContact O-NE2 3.36Å; F70-F85 AromaticContact CD1-CD2 3.97Å; F70-F85 HydrophobicContact CD1-CD2 3.97Å; F70-F85 AromaticContact CE1-CD2 3.57Å; F70-F85 HydrophobicContact CE1-CD2 3.57Å; F70-F85 AromaticContact CE1-CE2 3.85Å; F70-F85 HydrophobicContact CE1-CE2 3.85Å; F70-F85 HydrophobicContact CE1-CG 4.43Å; F70-F85 HydrophobicContact CZ-CD2 4.47Å; F70-F85 HydrophobicContact CZ-CE2 4.34Å; F70-V88 HydrophobicContact CD1-CB 3.81Å; F70-V88 HydrophobicContact CD1-CG1 3.7Å; F70-V88 HydrophobicContact CD1-CG2 4.18Å; F70-V88 HydrophobicContact CD2-CG1 4.28Å; F70-V88 HydrophobicContact CE1-CB 3.81Å; F70-V88 HydrophobicContact CE1-CG1 3.66Å; F70-V88 HydrophobicContact CE2-CG1 4.24Å; F70-V88 HydrophobicContact CG-CG1 4.02Å; F70-V88 HydrophobicContact CZ-CG1 3.94Å; F70-L89 HydrophobicContact CE1-CD2 4.33Å; F70-L89 HydrophobicContact CE1-CG 4.16Å; F70-L89 HydrophobicContact CZ-CD2 3.81Å; F70-L89 HydrophobicContact CZ-CG 4.16Å
71F91Very high87Confident14 Ų1465.7 Ų65.76%0.06133%0.328CS..Hα-helixtrans-87.1-24-176.9-64.3-81.3000113.4L46 G47 V48 F51 V67 N68 E73 S74 E78 V80L46-F71 WeakPolarHBondContact O-CE1 3.35Å; G47-F71 VanDerWaalsContact C-CZ 3.42Å; V48-F71 HydrophobicContact CB-CE2 4.42Å; V48-F71 HydrophobicContact CG2-CD2 3.95Å; V48-F71 HydrophobicContact CG2-CE1 4.34Å; V48-F71 HydrophobicContact CG2-CE2 3.68Å; V48-F71 HydrophobicContact CG2-CG 4.45Å; V48-F71 HydrophobicContact CG2-CZ 3.9Å; V48-F71 VanDerWaalsContact N-CZ 3.32Å; F51-F71 AromaticContact CD2-CE2 3.8Å; F51-F71 HydrophobicContact CD2-CE2 3.8Å; F51-F71 AromaticContact CD2-CZ 3.77Å; F51-F71 HydrophobicContact CD2-CZ 3.77Å; F51-F71 AromaticContact CE2-CE2 3.84Å; F51-F71 HydrophobicContact CE2-CE2 3.84Å; F51-F71 AromaticContact CE2-CZ 3.63Å; F51-F71 HydrophobicContact CE2-CZ 3.63Å; V67-F71 HydrophobicContact CG1-CD2 4.07Å; V67-F71 HydrophobicContact CG1-CE2 3.69Å; V67-F71 WeakPolarHBondContact O-CD2 3.29Å; N68-F71 PolarHBondContact O-N 3.2Å; F71-E73 PolarHBondContact O-N 3.02Å; F71-E73 VanDerWaalsContact O-N 3.11Å; F71-S74 WeakPolarHBondContact O-CB 3.19Å; F71-S74 PolarHBondContact O-N 3.46Å; F71-S74 PolarHBondContact O-OG 3.11Å; F71-E78 WeakPolarHBondContact CE1-O 3.4Å; F71-V80 HydrophobicContact CD1-CG2 3.67Å; F71-V80 HydrophobicContact CE1-CB 4.41Å; F71-V80 HydrophobicContact CE1-CG2 3.47Å; F71-V80 VanDerWaalsContact CE1-CG2 3.47Å; F71-V80 HydrophobicContact CE2-CG2 4.36Å; F71-V80 HydrophobicContact CG-CG2 4.2Å; F71-V80 HydrophobicContact CZ-CG2 3.83Å
72F82Confident87.3Confident132 Ų13263.1 Ų63.158%0.57931%0.31SS*.THydrogen-bonded Turntrans-56.3-33.1-176.2-174.4-110.8000114.3N68N68-F72 PolarHBondContact O-N 2.82Å
73E73.8Confident87.4Confident84 Ų8465.5 Ų65.539%0.39332%0.317SS..THydrogen-bonded Turntrans-109.98.5-179.5-69.7177.5-178.600112.8F71 H84 R91F71-E73 PolarHBondContact O-N 3.02Å; F71-E73 VanDerWaalsContact O-N 3.11Å; E73-H84 VanDerWaalsContact C-CE1 3.46Å; E73-H84 PolarHBondContact O-CE1 2.99Å; E73-R91 VanDerWaalsContact CD-CZ 3.46Å; E73-R91 VanDerWaalsContact CD-NH1 3.29Å; E73-R91 IonicContact OE1-CZ 2.71Å; E73-R91 IonicContact OE1-NH1 2.71Å; E73-R91 PolarHBondContact OE1-NH1 3.24Å; E73-R91 IonicContact OE1-NH2 3.95Å; E73-R91 PolarHBondContact OE1-NH2 3.46Å; E73-R91 IonicContact OE2-CZ 3.26Å; E73-R91 IonicContact OE2-NE 2.65Å; E73-R91 IonicContact OE2-NH1 3.07Å; E73-R91 PolarHBondContact OE2-NH1 3.42Å; E73-R91 IonicContact OE2-NH2 3.92Å; E73-R91 PolarHBondContact OE2-NH2 3.17Å
74S79.7Confident87.5Confident15 Ų1561.3 Ų61.311%0.10530%0.301CS..SBendtrans-73.8147.9173.165.70000110.2F71 D76 G77 R79 H84F71-S74 WeakPolarHBondContact O-CB 3.19Å; F71-S74 PolarHBondContact O-N 3.46Å; F71-S74 PolarHBondContact O-OG 3.11Å; S74-D76 VanDerWaalsContact C-N 3.31Å; S74-D76 PolarHBondContact O-N 3.22Å; S74-G77 PolarHBondContact O-N 2.98Å; S74-G77 WeakPolarHBondContact OG-CA 3.35Å; S74-G77 PolarHBondContact OG-N 3.08Å; S74-R79 WeakPolarHBondContact CB-O 3.31Å; S74-H84 PolarHBondContact N-NE2 3.34Å
75E74.6Confident87.8Confident197 Ų19758 Ų5892%0.92128%0.284SS*.SBendtrans-62.5-37.5-175.8-66.7179.1174.200112.8
76D81.1Confident88.1Confident88 Ų8857 Ų5747%0.47128%0.278SS..SBendtrans-102.2-7.6-178.762.77.7000113.6S74 E78 R79S74-D76 VanDerWaalsContact C-N 3.31Å; S74-D76 PolarHBondContact O-N 3.22Å; D76-E78 PolarHBondContact O-N 3.23Å; D76-E78 PolarHBondContact OD1-N 2.79Å; D76-R79 PolarHBondContact OD1-N 2.92Å; D76-R79 WeakPolarHBondContact OD2-CB 3.42Å
77G82.7Confident88.3Confident42 Ų4258 Ų5843%0.43328%0.282SS..SBendtrans73.2-2.1-17600000114.7S74S74-G77 PolarHBondContact O-N 2.98Å; S74-G77 WeakPolarHBondContact OG-CA 3.35Å; S74-G77 PolarHBondContact OG-N 3.08Å
78E86.7Confident88.3Confident143 Ų14357.9 Ų57.967%0.66828%0.282SS*.SBendtrans-124.3-26.4-168.9-68.6-173.7179.400113F71 D76F71-E78 WeakPolarHBondContact CE1-O 3.4Å; D76-E78 PolarHBondContact O-N 3.23Å; D76-E78 PolarHBondContact OD1-N 2.79Å
79R91.7Very high88.6Confident131 Ų13156.3 Ų56.349%0.49427%0.273SS..  trans-131.9134.5-173.6-61.5-169.4174.7-130.1-0112A45 S74 D76A45-R79 HydrophobicContact CB-CB 3.93Å; S74-R79 WeakPolarHBondContact CB-O 3.31Å; D76-R79 PolarHBondContact OD1-N 2.92Å; D76-R79 WeakPolarHBondContact OD2-CB 3.42Å
80V94Very high88.9Confident0 Ų055.7 Ų55.70%027%0.268CS..EExtended strand (participates in β ladder)trans-111.4106.5179.2174.70000108.4F35 A45 L46 F51 F70 F71 H84 F85F35-V80 WeakPolarHBondContact CE2-O 3.43Å; F35-V80 WeakPolarHBondContact CZ-O 3.39Å; A45-V80 WeakPolarHBondContact CA-O 3.47Å; L46-V80 HydrophobicContact CB-CB 4.45Å; L46-V80 PolarHBondContact N-O 2.88Å; L46-V80 PolarHBondContact O-N 3.25Å; F51-V80 HydrophobicContact CE2-CB 4.38Å; F51-V80 HydrophobicContact CE2-CG2 4.35Å; F51-V80 HydrophobicContact CZ-CB 4.5Å; F51-V80 HydrophobicContact CZ-CG1 4.36Å; F70-V80 HydrophobicContact CB-CG2 3.99Å; F70-V80 HydrophobicContact CD1-CG1 4.4Å; F71-V80 HydrophobicContact CD1-CG2 3.67Å; F71-V80 HydrophobicContact CE1-CB 4.41Å; F71-V80 HydrophobicContact CE1-CG2 3.47Å; F71-V80 VanDerWaalsContact CE1-CG2 3.47Å; F71-V80 HydrophobicContact CE2-CG2 4.36Å; F71-V80 HydrophobicContact CG-CG2 4.2Å; F71-V80 HydrophobicContact CZ-CG2 3.83Å; V80-H84 HydrophobicContact CG1-CB 4.41Å; V80-F85 HydrophobicContact CG1-CB 3.78Å; V80-F85 HydrophobicContact CG1-CD2 4.47Å
81N93.5Very high88.9Confident74 Ų7457.5 Ų57.540%0.39627%0.274SS..EExtended strand (participates in β ladder)trans-73.6170.517271.341.4000111.4R83 H84 F85N81-R83 PolarHBondContact O-N 2.85Å; N81-R83 PolarHBondContact OD1-N 3.38Å; N81-R83 VanDerWaalsContact OD1-N 3.13Å; N81-H84 PolarHBondContact O-N 3.26Å; N81-H84 WeakPolarHBondContact OD1-CB 3.36Å; N81-H84 PolarHBondContact OD1-N 3.38Å; N81-F85 WeakPolarHBondContact O-CB 3.28Å; N81-F85 PolarHBondContact O-N 3.15Å
82F94Very high88.9Confident12 Ų1261.5 Ų61.55%0.05329%0.291CS..Hα-helixtrans-62.2-42.5-176178.7-113000113.6L9 I17 I28 L31 Y32 F35 H84 F85 V86L9-F82 HydrophobicContact CD1-CD1 4.11Å; L9-F82 HydrophobicContact CD1-CE1 3.4Å; L9-F82 HydrophobicContact CD1-CZ 3.94Å; L9-F82 HydrophobicContact CD2-CD1 3.86Å; L9-F82 HydrophobicContact CD2-CE1 3.98Å; L9-F82 HydrophobicContact CG-CE1 4.32Å; I17-F82 HydrophobicContact CD1-CD1 3.99Å; I17-F82 HydrophobicContact CD1-CE1 3.68Å; I28-F82 HydrophobicContact CG2-CE1 4.05Å; I28-F82 HydrophobicContact CG2-CZ 4.04Å; L31-F82 HydrophobicContact CB-CE2 4.18Å; L31-F82 HydrophobicContact CB-CZ 4.38Å; Y32-F82 HydrophobicContact CD2-CB 4.44Å; Y32-F82 AromaticContact CD2-CD1 3.69Å; Y32-F82 HydrophobicContact CD2-CD1 3.69Å; Y32-F82 AromaticContact CD2-CD2 3.76Å; Y32-F82 HydrophobicContact CD2-CD2 3.76Å; Y32-F82 AromaticContact CD2-CE1 3.79Å; Y32-F82 HydrophobicContact CD2-CE1 3.79Å; Y32-F82 AromaticContact CD2-CE2 3.87Å; Y32-F82 HydrophobicContact CD2-CE2 3.87Å; Y32-F82 AromaticContact CD2-CG 3.66Å; Y32-F82 HydrophobicContact CD2-CG 3.66Å; Y32-F82 AromaticContact CD2-CZ 3.86Å; Y32-F82 HydrophobicContact CD2-CZ 3.86Å; Y32-F82 HydrophobicContact CE2-CD1 4.27Å; Y32-F82 HydrophobicContact CE2-CG 4.18Å; Y32-F82 HydrophobicContact CG-CE1 4.48Å; Y32-F82 HydrophobicContact CG-CE2 4.33Å; Y32-F82 HydrophobicContact CG-CZ 4.25Å; F35-F82 HydrophobicContact CB-CD2 3.69Å; F35-F82 HydrophobicContact CB-CE2 4.13Å; F35-F82 HydrophobicContact CD1-CB 4.13Å; F35-F82 HydrophobicContact CD1-CD2 4.15Å; F35-F82 HydrophobicContact CD2-CB 4.35Å; F35-F82 AromaticContact CD2-CD2 3.96Å; F35-F82 HydrophobicContact CD2-CD2 3.96Å; F35-F82 HydrophobicContact CE1-CB 4.03Å; F35-F82 HydrophobicContact CE2-CB 4.23Å; F35-F82 HydrophobicContact CG-CB 4.29Å; F35-F82 AromaticContact CG-CD2 3.67Å; F35-F82 HydrophobicContact CG-CD2 3.67Å; F35-F82 HydrophobicContact CG-CG 4.44Å; F35-F82 HydrophobicContact CZ-CB 4.07Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 2.87Å; F82-F85 HydrophobicContact CD2-CD1 4.37Å; F82-F85 HydrophobicContact CE2-CD1 4.44Å; F82-F85 WeakPolarHBondContact O-CB 3.49Å; F82-F85 PolarHBondContact O-N 2.96Å; F82-V86 HydrophobicContact CD2-CG1 4.08Å; F82-V86 HydrophobicContact CE1-CG1 4.12Å; F82-V86 HydrophobicContact CE2-CG1 3.42Å; F82-V86 VanDerWaalsContact CE2-CG1 3.42Å; F82-V86 HydrophobicContact CZ-CG1 3.45Å; F82-V86 VanDerWaalsContact CZ-CG1 3.45Å; F82-V86 WeakPolarHBondContact O-CG2 3.45Å; F82-V86 PolarHBondContact O-N 2.91Å
83R93.3Very high89.4Confident87 Ų8756.8 Ų56.833%0.32827%0.27SS..Hα-helixtrans-62.5-43.8-179.7-169.2176.3-167.6151.27.7110.7E16 E20 N81 V86 Q87E16-R83 IonicContact OE2-CZ 3.65Å; E16-R83 IonicContact OE2-NH1 3.48Å; E16-R83 PolarHBondContact OE2-NH1 3.49Å; E16-R83 IonicContact OE2-NH2 2.97Å; E16-R83 PolarHBondContact OE2-NH2 2.98Å; E20-R83 IonicContact OE1-CZ 3.34Å; E20-R83 IonicContact OE1-NE 3.36Å; E20-R83 PolarHBondContact OE1-NE 3.25Å; E20-R83 IonicContact OE1-NH2 2.63Å; E20-R83 PolarHBondContact OE1-NH2 2.71Å; E20-R83 IonicContact OE2-CZ 3.66Å; E20-R83 IonicContact OE2-NE 2.92Å; E20-R83 PolarHBondContact OE2-NE 3.33Å; E20-R83 IonicContact OE2-NH2 3.6Å; N81-R83 PolarHBondContact O-N 2.85Å; N81-R83 PolarHBondContact OD1-N 3.38Å; N81-R83 VanDerWaalsContact OD1-N 3.13Å; R83-V86 WeakPolarHBondContact O-CG2 3.39Å; R83-V86 PolarHBondContact O-N 2.7Å; R83-Q87 VanDerWaalsContact O-CG 3.26Å; R83-Q87 WeakPolarHBondContact O-CG 3.48Å; R83-Q87 PolarHBondContact O-N 3.18Å
84H93.7Very high90.3Very high17 Ų1757.9 Ų57.98%0.07928%0.284CS..Hα-helixtrans-64.3-46.8175.7-172.146.7000112.1F70 E73 S74 V80 N81 F82 V86 Q87 V88F70-H84 PolarHBondContact O-CD2 3.32Å; F70-H84 PolarHBondContact O-NE2 3.36Å; E73-H84 VanDerWaalsContact C-CE1 3.46Å; E73-H84 PolarHBondContact O-CE1 2.99Å; S74-H84 PolarHBondContact N-NE2 3.34Å; V80-H84 HydrophobicContact CG1-CB 4.41Å; N81-H84 PolarHBondContact O-N 3.26Å; N81-H84 WeakPolarHBondContact OD1-CB 3.36Å; N81-H84 PolarHBondContact OD1-N 3.38Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 2.87Å; H84-V86 VanDerWaalsContact C-N 3.3Å; H84-V86 PolarHBondContact O-N 3.06Å; H84-Q87 PolarHBondContact O-N 3.21Å; H84-Q87 VanDerWaalsContact O-N 3.08Å; H84-V88 WeakPolarHBondContact O-CG2 3.18Å; H84-V88 PolarHBondContact O-N 2.94Å
85F94.6Very high90.7Very high11 Ų1161 Ų615%0.04830%0.299CS..Hα-helixtrans-51.6-47.8175.6176.7-104.6000112.3L31 F35 L46 F51 F70 V80 N81 F82 L89L31-F85 HydrophobicContact CD2-CE1 4.49Å; F35-F85 HydrophobicContact CB-CD1 4.39Å; F35-F85 HydrophobicContact CB-CE1 4.4Å; F35-F85 HydrophobicContact CD2-CB 3.89Å; F35-F85 AromaticContact CD2-CD1 3.89Å; F35-F85 HydrophobicContact CD2-CD1 3.89Å; F35-F85 HydrophobicContact CD2-CD2 4.33Å; F35-F85 HydrophobicContact CD2-CE1 4.49Å; F35-F85 AromaticContact CD2-CG 3.79Å; F35-F85 HydrophobicContact CD2-CG 3.79Å; F35-F85 HydrophobicContact CE2-CB 4Å; F35-F85 HydrophobicContact CE2-CG 4.34Å; L46-F85 HydrophobicContact CD1-CD2 4.16Å; L46-F85 HydrophobicContact CD1-CE2 4.29Å; F51-F85 HydrophobicContact CE1-CD2 4.19Å; F51-F85 AromaticContact CE1-CE2 3.96Å; F51-F85 HydrophobicContact CE1-CE2 3.96Å; F51-F85 HydrophobicContact CZ-CD2 4.02Å; F51-F85 HydrophobicContact CZ-CE2 4.22Å; F70-F85 AromaticContact CD1-CD2 3.97Å; F70-F85 HydrophobicContact CD1-CD2 3.97Å; F70-F85 AromaticContact CE1-CD2 3.57Å; F70-F85 HydrophobicContact CE1-CD2 3.57Å; F70-F85 AromaticContact CE1-CE2 3.85Å; F70-F85 HydrophobicContact CE1-CE2 3.85Å; F70-F85 HydrophobicContact CE1-CG 4.43Å; F70-F85 HydrophobicContact CZ-CD2 4.47Å; F70-F85 HydrophobicContact CZ-CE2 4.34Å; V80-F85 HydrophobicContact CG1-CB 3.78Å; V80-F85 HydrophobicContact CG1-CD2 4.47Å; N81-F85 WeakPolarHBondContact O-CB 3.28Å; N81-F85 PolarHBondContact O-N 3.15Å; F82-F85 HydrophobicContact CD2-CD1 4.37Å; F82-F85 HydrophobicContact CE2-CD1 4.44Å; F82-F85 WeakPolarHBondContact O-CB 3.49Å; F82-F85 PolarHBondContact O-N 2.96Å; F85-L89 HydrophobicContact CD1-CD1 3.99Å; F85-L89 HydrophobicContact CE1-CD1 3.48Å; F85-L89 VanDerWaalsContact CE1-CD1 3.48Å; F85-L89 HydrophobicContact CE2-CD1 4.2Å; F85-L89 HydrophobicContact CZ-CD1 3.6Å; F85-L89 WeakPolarHBondContact O-CG 3.34Å; F85-L89 PolarHBondContact O-N 2.8Å
86V95.5Very high91.4Very high0 Ų056.8 Ų56.80%028%0.278CS..Hα-helixtrans-74.1-29.6179.5-61.50000113.1I17 T21 L31 F82 R83 H84 L89 A90I17-V86 HydrophobicContact CG2-CG2 3.69Å; T21-V86 HydrophobicContact CG2-CB 4.38Å; T21-V86 HydrophobicContact CG2-CG2 3.99Å; L31-V86 HydrophobicContact CB-CG1 4.06Å; L31-V86 HydrophobicContact CD1-CG1 3.94Å; F82-V86 HydrophobicContact CD2-CG1 4.08Å; F82-V86 HydrophobicContact CE1-CG1 4.12Å; F82-V86 HydrophobicContact CE2-CG1 3.42Å; F82-V86 VanDerWaalsContact CE2-CG1 3.42Å; F82-V86 HydrophobicContact CZ-CG1 3.45Å; F82-V86 VanDerWaalsContact CZ-CG1 3.45Å; F82-V86 WeakPolarHBondContact O-CG2 3.45Å; F82-V86 PolarHBondContact O-N 2.91Å; R83-V86 WeakPolarHBondContact O-CG2 3.39Å; R83-V86 PolarHBondContact O-N 2.7Å; H84-V86 VanDerWaalsContact C-N 3.3Å; H84-V86 PolarHBondContact O-N 3.06Å; V86-L89 PolarHBondContact O-N 2.94Å; V86-A90 WeakPolarHBondContact O-CB 3.28Å; V86-A90 PolarHBondContact O-N 3.05Å
87Q93.2Very high91.7Very high61 Ų6161.5 Ų61.529%0.28529%0.294SS..Hα-helixtrans-65.4-44.1174.1-76.4173.9-7.100111.5E20 T21 R83 H84 L89 A90 L103E20-Q87 PolarHBondContact OE2-NE2 3.37Å; T21-Q87 HydrophobicContact CG2-CG 4.31Å; R83-Q87 VanDerWaalsContact O-CG 3.26Å; R83-Q87 WeakPolarHBondContact O-CG 3.48Å; R83-Q87 PolarHBondContact O-N 3.18Å; H84-Q87 PolarHBondContact O-N 3.21Å; H84-Q87 VanDerWaalsContact O-N 3.08Å; Q87-L89 PolarHBondContact O-N 2.86Å; Q87-A90 WeakPolarHBondContact O-CB 3.22Å; Q87-A90 PolarHBondContact O-N 3.02Å; Q87-A90 VanDerWaalsContact O-N 3.17Å; Q87-L103 HydrophobicContact CB-CD1 4.45Å; Q87-L103 HydrophobicContact CG-CD1 4.36Å
88V92.1Very high92Very high1 Ų166.7 Ų66.71%0.00631%0.312CS..Hα-helixtrans-60.9-46.5174.6176.40000110.5F70 H84 A90 R91F70-V88 HydrophobicContact CD1-CB 3.81Å; F70-V88 HydrophobicContact CD1-CG1 3.7Å; F70-V88 HydrophobicContact CD1-CG2 4.18Å; F70-V88 HydrophobicContact CD2-CG1 4.28Å; F70-V88 HydrophobicContact CE1-CB 3.81Å; F70-V88 HydrophobicContact CE1-CG1 3.66Å; F70-V88 HydrophobicContact CE2-CG1 4.24Å; F70-V88 HydrophobicContact CG-CG1 4.02Å; F70-V88 HydrophobicContact CZ-CG1 3.94Å; H84-V88 WeakPolarHBondContact O-CG2 3.18Å; H84-V88 PolarHBondContact O-N 2.94Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.18Å; V88-R91 VanDerWaalsContact O-CB 3.31Å; V88-R91 WeakPolarHBondContact O-CB 3.28Å; V88-R91 WeakPolarHBondContact O-CG 3.47Å; V88-R91 PolarHBondContact O-N 2.84Å
89L94Very high92.1Very high44 Ų4467.3 Ų67.323%0.2331%0.312CS..Hα-helixtrans-64.3-30.2176.2-70.6178.2000113.5F23 L31 F70 F85 V86 Q87 R91 F92F23-L89 HydrophobicContact CE2-CB 4.43Å; F23-L89 HydrophobicContact CZ-CB 4.3Å; L31-L89 HydrophobicContact CD2-CD1 3.67Å; F70-L89 HydrophobicContact CE1-CD2 4.33Å; F70-L89 HydrophobicContact CE1-CG 4.16Å; F70-L89 HydrophobicContact CZ-CD2 3.81Å; F70-L89 HydrophobicContact CZ-CG 4.16Å; F85-L89 HydrophobicContact CD1-CD1 3.99Å; F85-L89 HydrophobicContact CE1-CD1 3.48Å; F85-L89 VanDerWaalsContact CE1-CD1 3.48Å; F85-L89 HydrophobicContact CE2-CD1 4.2Å; F85-L89 HydrophobicContact CZ-CD1 3.6Å; F85-L89 WeakPolarHBondContact O-CG 3.34Å; F85-L89 PolarHBondContact O-N 2.8Å; V86-L89 PolarHBondContact O-N 2.94Å; Q87-L89 PolarHBondContact O-N 2.86Å; L89-R91 PolarHBondContact O-N 3.27Å; L89-F92 PolarHBondContact O-N 3.22Å
90A94.2Very high92Very high0 Ų066.1 Ų66.10%032%0.322CS..Hα-helixtrans-60.7-29.717900000112T21 F23 V86 Q87 V88 F92 R93 L103 N104T21-A90 HydrophobicContact CG2-CB 4.1Å; F23-A90 HydrophobicContact CE2-CB 3.91Å; F23-A90 HydrophobicContact CZ-CB 4.5Å; V86-A90 WeakPolarHBondContact O-CB 3.28Å; V86-A90 PolarHBondContact O-N 3.05Å; Q87-A90 WeakPolarHBondContact O-CB 3.22Å; Q87-A90 PolarHBondContact O-N 3.02Å; Q87-A90 VanDerWaalsContact O-N 3.17Å; V88-A90 VanDerWaalsContact C-N 3.28Å; V88-A90 PolarHBondContact O-N 3.18Å; A90-F92 PolarHBondContact O-N 3.42Å; A90-R93 WeakPolarHBondContact O-CB 3.48Å; A90-R93 WeakPolarHBondContact O-CG 3.35Å; A90-R93 PolarHBondContact O-N 3.13Å; A90-R93 VanDerWaalsContact O-N 3.16Å; A90-L103 HydrophobicContact CB-CB 4.29Å; A90-L103 HydrophobicContact CB-CD1 3.82Å; A90-N104 WeakPolarHBondContact O-CB 3.2Å
91R91.2Very high91.9Very high55 Ų5567.4 Ų67.421%0.20833%0.327CS..THydrogen-bonded Turntrans-58.7-31.5175.1-58.3178.7171-162.9-12.7112.8E73 V88 L89 L103 N104 K109E73-R91 VanDerWaalsContact CD-CZ 3.46Å; E73-R91 VanDerWaalsContact CD-NH1 3.29Å; E73-R91 IonicContact OE1-CZ 2.71Å; E73-R91 IonicContact OE1-NH1 2.71Å; E73-R91 PolarHBondContact OE1-NH1 3.24Å; E73-R91 IonicContact OE1-NH2 3.95Å; E73-R91 PolarHBondContact OE1-NH2 3.46Å; E73-R91 IonicContact OE2-CZ 3.26Å; E73-R91 IonicContact OE2-NE 2.65Å; E73-R91 IonicContact OE2-NH1 3.07Å; E73-R91 PolarHBondContact OE2-NH1 3.42Å; E73-R91 IonicContact OE2-NH2 3.92Å; E73-R91 PolarHBondContact OE2-NH2 3.17Å; V88-R91 VanDerWaalsContact O-CB 3.31Å; V88-R91 WeakPolarHBondContact O-CB 3.28Å; V88-R91 WeakPolarHBondContact O-CG 3.47Å; V88-R91 PolarHBondContact O-N 2.84Å; L89-R91 PolarHBondContact O-N 3.27Å; R91-L103 VanDerWaalsContact CA-O 3.28Å; R91-L103 WeakPolarHBondContact CA-O 3.09Å; R91-L103 WeakPolarHBondContact CG-O 3.19Å; R91-N104 WeakPolarHBondContact O-CB 3.38Å; R91-K109 VanDerWaalsContact O-CE 3.28Å; R91-K109 WeakPolarHBondContact O-CE 3.41Å; R91-K109 WeakPolarHBondContact O-CG 3.5Å; R91-K109 PolarHBondContact O-NZ 3.24Å
92F90.8Very high91.7Very high97 Ų9767 Ų6743%0.42533%0.329SS..THydrogen-bonded Turntrans-87.8-6.9-178.3-65.4-75.9000114.4L89 A90 K109 F112L89-F92 PolarHBondContact O-N 3.22Å; A90-F92 PolarHBondContact O-N 3.42Å; F92-K109 VanDerWaalsContact C-NZ 3.26Å; F92-K109 PolarHBondContact O-NZ 3.37Å; F92-F112 AromaticContact CE1-CD1 3.89Å; F92-F112 HydrophobicContact CE1-CD1 3.89Å; F92-F112 HydrophobicContact CE1-CE1 4.05Å; F92-F112 HydrophobicContact CE1-CG 4.22Å; F92-F112 HydrophobicContact CE1-CZ 4.46Å; F92-F112 HydrophobicContact CE2-CD2 4.08Å; F92-F112 HydrophobicContact CE2-CE1 4.46Å; F92-F112 AromaticContact CE2-CE2 3.81Å; F92-F112 HydrophobicContact CE2-CE2 3.81Å; F92-F112 HydrophobicContact CE2-CG 4.47Å; F92-F112 HydrophobicContact CE2-CZ 4.06Å; F92-F112 HydrophobicContact CZ-CB 4.49Å; F92-F112 AromaticContact CZ-CD1 3.46Å; F92-F112 HydrophobicContact CZ-CD1 3.46Å; F92-F112 VanDerWaalsContact CZ-CD1 3.46Å; F92-F112 AromaticContact CZ-CD2 3.57Å; F92-F112 HydrophobicContact CZ-CD2 3.57Å; F92-F112 AromaticContact CZ-CE1 3.44Å; F92-F112 HydrophobicContact CZ-CE1 3.44Å; F92-F112 VanDerWaalsContact CZ-CE1 3.44Å; F92-F112 AromaticContact CZ-CE2 3.47Å; F92-F112 HydrophobicContact CZ-CE2 3.47Å; F92-F112 VanDerWaalsContact CZ-CE2 3.47Å; F92-F112 AromaticContact CZ-CG 3.56Å; F92-F112 HydrophobicContact CZ-CG 3.56Å; F92-F112 AromaticContact CZ-CZ 3.45Å; F92-F112 HydrophobicContact CZ-CZ 3.45Å; F92-F112 VanDerWaalsContact CZ-CZ 3.45Å
93R93.6Very high91.5Very high33 Ų3368.7 Ų68.713%0.12534%0.338CS..SBendtrans-54.1143.8175-70.8172.861.2-110.3-0.7111.2T21 G22 F23 A90 I95 N104 K109T21-R93 WeakPolarHBondContact O-CD 3.46Å; T21-R93 PolarHBondContact O-NE 3.5Å; T21-R93 PolarHBondContact O-NH1 3.2Å; G22-R93 VanDerWaalsContact O-CZ 3.27Å; G22-R93 PolarHBondContact O-NE 3.07Å; G22-R93 PolarHBondContact O-NH2 2.76Å; F23-R93 HydrophobicContact CD1-CG 4.18Å; F23-R93 VanDerWaalsContact CE1-CD 3.44Å; F23-R93 HydrophobicContact CE1-CG 3.43Å; F23-R93 VanDerWaalsContact CE1-CG 3.43Å; F23-R93 HydrophobicContact CE2-CG 4.44Å; F23-R93 HydrophobicContact CZ-CG 3.58Å; A90-R93 WeakPolarHBondContact O-CB 3.48Å; A90-R93 WeakPolarHBondContact O-CG 3.35Å; A90-R93 PolarHBondContact O-N 3.13Å; A90-R93 VanDerWaalsContact O-N 3.16Å; R93-I95 PolarHBondContact O-N 2.89Å; R93-N104 PolarHBondContact O-ND2 2.92Å; R93-K109 WeakPolarHBondContact O-CE 3.26Å; R93-K109 PolarHBondContact O-NZ 3.39Å
94P91.6Very high91.5Very high107 Ų10764.7 Ų64.770%0.69532%0.323SS*.PPolyproline II helixtrans-55.2138.8172.2-25.934.5000111.6K96 N104P94-K96 PolarHBondContact O-N 3.33Å; P94-N104 PolarHBondContact O-ND2 3.35Å; P94-N104 VanDerWaalsContact O-ND2 3.14Å
95I89.2Confident91.4Very high80 Ų8070.4 Ų70.441%0.4134%0.344SS..PPolyproline II helixtrans-73.6124.2176.7-66.9153.8000108.9R93 N104 P106 K109R93-I95 PolarHBondContact O-N 2.89Å; I95-N104 VanDerWaalsContact CG1-O 3.28Å; I95-N104 WeakPolarHBondContact CG1-O 3.48Å; I95-P106 HydrophobicContact CD1-CB 4.26Å; I95-P106 HydrophobicContact CD1-CG 3.84Å; I95-K109 HydrophobicContact CD1-CD 3.87Å; I95-K109 HydrophobicContact CG1-CD 4.32Å
96K88.9Confident91.2Very high110 Ų11073.6 Ų73.648%0.47837%0.366SS..  trans-100109.2173.9-65.2-175.2180-174.20109P94 N98 K99P94-K96 PolarHBondContact O-N 3.33Å; K96-N98 PolarHBondContact O-N 3.35Å; K96-K99 HydrophobicContact CB-CB 4.31Å; K96-K99 CarbonylContact O-C 3.09Å; K96-K99 PolarHBondContact O-N 3.17Å
97K86.1Confident91Very high187 Ų18779.9 Ų79.981%0.81339%0.39SS*.THydrogen-bonded Turntrans-56.1-37.8-178.8-68.4-175.7179.1-179.70113
98N90.4Very high90.8Very high150 Ų15079.7 Ų79.780%0.80239%0.391SS*.THydrogen-bonded Turntrans-82.6-10.1179.863.6-24.9000114.1K96K96-N98 PolarHBondContact O-N 3.35Å
99K88.4Confident90.7Very high157 Ų15782 Ų8268%0.68340%0.401SS*.SBendtrans-147.169.5179.1-168.1169.1-177.6171.20109.2K96K96-K99 HydrophobicContact CB-CB 4.31Å; K96-K99 CarbonylContact O-C 3.09Å; K96-K99 PolarHBondContact O-N 3.17Å
100P89Confident90.6Very high106 Ų10681.5 Ų81.569%0.68840%0.398SS*.  trans-60.1148.8178.127.5-34.7000109.6
101H91.9Very high90.4Very high26 Ų2687.1 Ų87.112%0.1242%0.42CS..  trans-132.8137.6-178.9-176.9-78.2000109.4E20 G22 L103 N104E20-H101 PolarHBondContact O-CE1 3.11Å; E20-H101 PolarHBondContact O-NE2 2.95Å; G22-H101 PolarHBondContact N-NE2 3.35Å; H101-L103 VanDerWaalsContact C-N 3.32Å; H101-L103 PolarHBondContact ND1-N 2.91Å; H101-L103 PolarHBondContact O-N 3.02Å; H101-N104 WeakPolarHBondContact CB-OD1 3.49Å; H101-N104 PolarHBondContact O-N 2.93Å; H101-N104 PolarHBondContact O-OD1 2.6Å; H101-N104 VanDerWaalsContact O-OD1 3.1Å
102P90Very high90.3Very high67 Ų6786 Ų8644%0.43542%0.416SS..G310 helixtrans-62.1-36.5-170.922.2-34.1000113.6N104 R105P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 2.98Å; P102-R105 VanDerWaalsContact CA-NH1 3.35Å; P102-R105 PolarHBondContact O-NH1 3.15Å
103L90Very high90.3Very high47 Ų4783 Ų8325%0.24641%0.409CS..G310 helixtrans-72.7-16.3-178.8-65.9-176.3000115.1E20 Q87 A90 R91 H101E20-L103 WeakPolarHBondContact O-CD1 3.43Å; Q87-L103 HydrophobicContact CB-CD1 4.45Å; Q87-L103 HydrophobicContact CG-CD1 4.36Å; A90-L103 HydrophobicContact CB-CB 4.29Å; A90-L103 HydrophobicContact CB-CD1 3.82Å; R91-L103 VanDerWaalsContact CA-O 3.28Å; R91-L103 WeakPolarHBondContact CA-O 3.09Å; R91-L103 WeakPolarHBondContact CG-O 3.19Å; H101-L103 VanDerWaalsContact C-N 3.32Å; H101-L103 PolarHBondContact ND1-N 2.91Å; H101-L103 PolarHBondContact O-N 3.02Å
104N92.5Very high90.3Very high3 Ų381.6 Ų81.62%0.01640%0.404CS..G310 helixtrans-125.329.2-174.481.7-28.9000113.3A90 R91 R93 P94 I95 H101 P102 K109A90-N104 WeakPolarHBondContact O-CB 3.2Å; R91-N104 WeakPolarHBondContact O-CB 3.38Å; R93-N104 PolarHBondContact O-ND2 2.92Å; P94-N104 PolarHBondContact O-ND2 3.35Å; P94-N104 VanDerWaalsContact O-ND2 3.14Å; I95-N104 VanDerWaalsContact CG1-O 3.28Å; I95-N104 WeakPolarHBondContact CG1-O 3.48Å; H101-N104 WeakPolarHBondContact CB-OD1 3.49Å; H101-N104 PolarHBondContact O-N 2.93Å; H101-N104 PolarHBondContact O-OD1 2.6Å; H101-N104 VanDerWaalsContact O-OD1 3.1Å; P102-N104 VanDerWaalsContact C-N 3.32Å; P102-N104 PolarHBondContact O-N 2.98Å; N104-K109 WeakPolarHBondContact O-CE 3.4Å
105R91.7Very high90.2Very high136 Ų13678 Ų7851%0.51339%0.386SS..  trans-58.3149.4176.6-60.5-179.9176.2101.5-8.3109.9P102 R107 D108 K109P102-R105 VanDerWaalsContact CA-NH1 3.35Å; P102-R105 PolarHBondContact O-NH1 3.15Å; R105-R107 PolarHBondContact O-N 3.26Å; R105-D108 WeakPolarHBondContact CB-OD2 3.46Å; R105-D108 PolarHBondContact O-N 2.71Å; R105-D108 VanDerWaalsContact O-N 3.09Å; R105-K109 PolarHBondContact O-N 3Å; R105-K109 VanDerWaalsContact O-N 3.15Å
106P90.5Very high90.3Very high78 Ų7875.1 Ų75.151%0.50637%0.371SS..Hα-helixtrans-50.1-44.5177.7-24.729.6000113.1I95 D108 K109 L110I95-P106 HydrophobicContact CD1-CB 4.26Å; I95-P106 HydrophobicContact CD1-CG 3.84Å; P106-D108 PolarHBondContact O-N 3.27Å; P106-K109 PolarHBondContact O-N 3.37Å; P106-L110 WeakPolarHBondContact O-CG 3.5Å; P106-L110 PolarHBondContact O-N 3.04Å
107R91.1Very high90.5Very high132 Ų13272.7 Ų72.750%0.49836%0.359SS..Hα-helixtrans-65.3-37.2-179.5-167.9171.8-179.2-112.54.8113.1R105 L110 R111 F168 D169R105-R107 PolarHBondContact O-N 3.26Å; R107-L110 WeakPolarHBondContact O-CB 3.49Å; R107-L110 PolarHBondContact O-N 3.15Å; R107-R111 PolarHBondContact O-N 2.65Å; R107-F168 HydrophobicContact CG-CE1 3.99Å; R107-F168 HydrophobicContact CG-CZ 3.87Å; R107-D169 IonicContact NH2-OD1 3.5Å
108D89.5Confident90.9Very high58 Ų5864.2 Ų64.231%0.3132%0.323SS..Hα-helixtrans-70.4-36.2179.2-57.3-33.5000111.3R105 P106 R111 F112R105-D108 WeakPolarHBondContact CB-OD2 3.46Å; R105-D108 PolarHBondContact O-N 2.71Å; R105-D108 VanDerWaalsContact O-N 3.09Å; P106-D108 PolarHBondContact O-N 3.27Å; D108-R111 WeakPolarHBondContact O-CB 3.22Å; D108-R111 PolarHBondContact O-N 3.02Å; D108-F112 PolarHBondContact O-N 3.37Å
109K89.8Confident90.9Very high48 Ų4860.8 Ų60.821%0.20930%0.304CS..Hα-helixtrans-63.4-41.2170.3-69.8175.8177.3-740112R91 F92 R93 I95 N104 R105 P106 R111 F112 A113R91-K109 VanDerWaalsContact O-CE 3.28Å; R91-K109 WeakPolarHBondContact O-CE 3.41Å; R91-K109 WeakPolarHBondContact O-CG 3.5Å; R91-K109 PolarHBondContact O-NZ 3.24Å; F92-K109 VanDerWaalsContact C-NZ 3.26Å; F92-K109 PolarHBondContact O-NZ 3.37Å; R93-K109 WeakPolarHBondContact O-CE 3.26Å; R93-K109 PolarHBondContact O-NZ 3.39Å; I95-K109 HydrophobicContact CD1-CD 3.87Å; I95-K109 HydrophobicContact CG1-CD 4.32Å; N104-K109 WeakPolarHBondContact O-CE 3.4Å; R105-K109 PolarHBondContact O-N 3Å; R105-K109 VanDerWaalsContact O-N 3.15Å; P106-K109 PolarHBondContact O-N 3.37Å; K109-R111 VanDerWaalsContact C-N 3.31Å; K109-F112 PolarHBondContact O-N 3.28Å; K109-A113 PolarHBondContact O-N 3.09Å
110L92.1Very high91.1Very high35 Ų3557.9 Ų57.918%0.18330%0.296CS..Hα-helixtrans-65.4-37175.1-69.4172.3000111.3P106 R107 F112 A113 F114 F168 F171 C172P106-L110 WeakPolarHBondContact O-CG 3.5Å; P106-L110 PolarHBondContact O-N 3.04Å; R107-L110 WeakPolarHBondContact O-CB 3.49Å; R107-L110 PolarHBondContact O-N 3.15Å; L110-F112 VanDerWaalsContact C-N 3.35Å; L110-A113 PolarHBondContact O-N 3.48Å; L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.33Å; L110-F114 PolarHBondContact O-N 2.86Å; L110-F168 HydrophobicContact CB-CE2 4.32Å; L110-F171 HydrophobicContact CB-CE1 4.39Å; L110-F171 HydrophobicContact CD2-CE1 4.03Å; L110-C172 HydrophobicContact CD1-CB 4.37Å
111R91.2Very high91.1Very high118 Ų11859.2 Ų59.245%0.44529%0.288SS..Hα-helixtrans-62.7-43174.9-175.171.182.5176.66.3111.6R107 D108 K109 F114 G115 F168R107-R111 PolarHBondContact O-N 2.65Å; D108-R111 WeakPolarHBondContact O-CB 3.22Å; D108-R111 PolarHBondContact O-N 3.02Å; K109-R111 VanDerWaalsContact C-N 3.31Å; R111-F114 PolarHBondContact O-N 3.2Å; R111-G115 PolarHBondContact O-N 2.8Å; R111-F168 HydrophobicContact CB-CE2 3.81Å; R111-F168 HydrophobicContact CB-CZ 3.76Å; R111-F168 HydrophobicContact CG-CE2 4.44Å; R111-F168 HydrophobicContact CG-CZ 4.45Å; R111-F168 VanDerWaalsContact NH1-CB 3.27Å
112F88.7Confident91.3Very high32 Ų3261.8 Ų61.814%0.1430%0.302CS..Hα-helixtrans-58.6-50.6173.3-176.3-77.1000110.9A69 F92 D108 K109 L110 F114 G115 M116A69-F112 HydrophobicContact CB-CD2 4.17Å; A69-F112 HydrophobicContact CB-CE2 3.22Å; A69-F112 HydrophobicContact CB-CZ 3.58Å; F92-F112 AromaticContact CE1-CD1 3.89Å; F92-F112 HydrophobicContact CE1-CD1 3.89Å; F92-F112 HydrophobicContact CE1-CE1 4.05Å; F92-F112 HydrophobicContact CE1-CG 4.22Å; F92-F112 HydrophobicContact CE1-CZ 4.46Å; F92-F112 HydrophobicContact CE2-CD2 4.08Å; F92-F112 HydrophobicContact CE2-CE1 4.46Å; F92-F112 AromaticContact CE2-CE2 3.81Å; F92-F112 HydrophobicContact CE2-CE2 3.81Å; F92-F112 HydrophobicContact CE2-CG 4.47Å; F92-F112 HydrophobicContact CE2-CZ 4.06Å; F92-F112 HydrophobicContact CZ-CB 4.49Å; F92-F112 AromaticContact CZ-CD1 3.46Å; F92-F112 HydrophobicContact CZ-CD1 3.46Å; F92-F112 VanDerWaalsContact CZ-CD1 3.46Å; F92-F112 AromaticContact CZ-CD2 3.57Å; F92-F112 HydrophobicContact CZ-CD2 3.57Å; F92-F112 AromaticContact CZ-CE1 3.44Å; F92-F112 HydrophobicContact CZ-CE1 3.44Å; F92-F112 VanDerWaalsContact CZ-CE1 3.44Å; F92-F112 AromaticContact CZ-CE2 3.47Å; F92-F112 HydrophobicContact CZ-CE2 3.47Å; F92-F112 VanDerWaalsContact CZ-CE2 3.47Å; F92-F112 AromaticContact CZ-CG 3.56Å; F92-F112 HydrophobicContact CZ-CG 3.56Å; F92-F112 AromaticContact CZ-CZ 3.45Å; F92-F112 HydrophobicContact CZ-CZ 3.45Å; F92-F112 VanDerWaalsContact CZ-CZ 3.45Å; D108-F112 PolarHBondContact O-N 3.37Å; K109-F112 PolarHBondContact O-N 3.28Å; L110-F112 VanDerWaalsContact C-N 3.35Å; F112-F114 VanDerWaalsContact C-N 3.34Å; F112-F114 PolarHBondContact O-N 3.15Å; F112-G115 PolarHBondContact O-N 3.35Å; F112-M116 HydrophobicContact CD1-CE 4.47Å; F112-M116 HydrophobicContact CD1-CG 4.23Å; F112-M116 HydrophobicContact CD1-SD 4.38Å; F112-M116 HydrophobicContact CE1-CE 3.93Å; F112-M116 HydrophobicContact CE1-CG 3.91Å; F112-M116 HydrophobicContact CE1-SD 3.57Å; F112-M116 VanDerWaalsContact CE1-SD 3.57Å; F112-M116 HydrophobicContact CZ-CE 4Å; F112-M116 HydrophobicContact CZ-SD 3.96Å; F112-M116 PolarHBondContact O-N 3.24Å
113A90.4Very high91.5Very high32 Ų3260 Ų6026%0.26430%0.296SS..Hα-helixtrans-60.1-45.2-179.700000111.4K109 L110 G115 M116 Y117 F171K109-A113 PolarHBondContact O-N 3.09Å; L110-A113 PolarHBondContact O-N 3.48Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.26Å; A113-M116 VanDerWaalsContact O-CB 3.31Å; A113-M116 WeakPolarHBondContact O-CB 3.21Å; A113-M116 PolarHBondContact O-N 3.22Å; A113-Y117 VanDerWaalsContact O-CD2 3.25Å; A113-Y117 WeakPolarHBondContact O-CD2 3.32Å; A113-F171 HydrophobicContact CB-CE1 4.39Å; A113-F171 HydrophobicContact CB-CZ 4.34Å
114F92.9Very high91.9Very high4 Ų460.5 Ų60.52%0.01830%0.296CS..Hα-helixtrans-54.7-46.4175.7-178.3-87.7000111.9L110 R111 F112 M116 Y117 D118 G123 I125 F168 F171L110-F114 VanDerWaalsContact O-CB 3.27Å; L110-F114 WeakPolarHBondContact O-CB 3.33Å; L110-F114 PolarHBondContact O-N 2.86Å; R111-F114 PolarHBondContact O-N 3.2Å; F112-F114 VanDerWaalsContact C-N 3.34Å; F112-F114 PolarHBondContact O-N 3.15Å; F114-M116 PolarHBondContact O-N 3.09Å; F114-M116 VanDerWaalsContact O-N 3.12Å; F114-Y117 WeakPolarHBondContact O-CA 3.39Å; F114-Y117 PolarHBondContact O-N 2.96Å; F114-D118 HydrophobicContact CD1-CB 4.08Å; F114-D118 HydrophobicContact CE1-CB 3.65Å; F114-D118 WeakPolarHBondContact CE1-OD2 3.27Å; F114-D118 HydrophobicContact CZ-CB 4.24Å; F114-D118 PolarHBondContact O-N 2.95Å; F114-G123 VanDerWaalsContact CZ-O 3.26Å; F114-G123 WeakPolarHBondContact CZ-O 3.49Å; F114-I125 HydrophobicContact CD2-CD1 3.44Å; F114-I125 VanDerWaalsContact CD2-CD1 3.44Å; F114-I125 HydrophobicContact CD2-CG1 4.09Å; F114-I125 HydrophobicContact CE2-CD1 3.4Å; F114-I125 VanDerWaalsContact CE2-CD1 3.4Å; F114-I125 HydrophobicContact CE2-CG1 3.61Å; F114-I125 HydrophobicContact CG-CD1 4.24Å; F114-I125 HydrophobicContact CZ-CD1 4.16Å; F114-I125 HydrophobicContact CZ-CG1 3.88Å; F114-F168 HydrophobicContact CB-CD2 3.89Å; F114-F168 HydrophobicContact CB-CE2 4.2Å; F114-F168 HydrophobicContact CD1-CD2 4.28Å; F114-F168 HydrophobicContact CD2-CB 4.4Å; F114-F168 AromaticContact CD2-CD2 3.98Å; F114-F168 HydrophobicContact CD2-CD2 3.98Å; F114-F168 HydrophobicContact CE2-CB 4.26Å; F114-F168 AromaticContact CG-CD2 3.77Å; F114-F168 HydrophobicContact CG-CD2 3.77Å; F114-F168 HydrophobicContact CZ-CB 4.34Å; F114-F171 HydrophobicContact CB-CD1 4.18Å; F114-F171 HydrophobicContact CB-CE1 4.27Å; F114-F171 HydrophobicContact CD2-CB 3.74Å; F114-F171 HydrophobicContact CD2-CD1 4.11Å; F114-F171 HydrophobicContact CD2-CD2 4.17Å; F114-F171 AromaticContact CD2-CG 3.75Å; F114-F171 HydrophobicContact CD2-CG 3.75Å; F114-F171 HydrophobicContact CE2-CB 4.15Å
115G90.8Very high92.2Very high32 Ų3260.6 Ų60.633%0.3330%0.296SS..Hα-helixtrans-67.1-8.5177.600000115R111 F112 A113R111-G115 PolarHBondContact O-N 2.8Å; F112-G115 PolarHBondContact O-N 3.35Å; A113-G115 VanDerWaalsContact C-N 3.32Å; A113-G115 PolarHBondContact O-N 3.26Å
116M90.2Very high92.4Very high20 Ų2056 Ų5610%0.09928%0.284CS..Hα-helixtrans-83.1-22.1167.5-52.4-68.689.700111.8M65 A69 F112 A113 F114 I133M65-M116 HydrophobicContact CB-CE 3.89Å; M65-M116 HydrophobicContact CB-SD 3.4Å; M65-M116 WeakPolarHBondContact CB-SD 3.5Å; M65-M116 WeakPolarHBondContact O-CE 3.48Å; M65-M116 HydrophobicContact SD-CB 4.07Å; A69-M116 HydrophobicContact CB-CE 4.15Å; F112-M116 HydrophobicContact CD1-CE 4.47Å; F112-M116 HydrophobicContact CD1-CG 4.23Å; F112-M116 HydrophobicContact CD1-SD 4.38Å; F112-M116 HydrophobicContact CE1-CE 3.93Å; F112-M116 HydrophobicContact CE1-CG 3.91Å; F112-M116 HydrophobicContact CE1-SD 3.57Å; F112-M116 VanDerWaalsContact CE1-SD 3.57Å; F112-M116 HydrophobicContact CZ-CE 4Å; F112-M116 HydrophobicContact CZ-SD 3.96Å; F112-M116 PolarHBondContact O-N 3.24Å; A113-M116 VanDerWaalsContact O-CB 3.31Å; A113-M116 WeakPolarHBondContact O-CB 3.21Å; A113-M116 PolarHBondContact O-N 3.22Å; F114-M116 PolarHBondContact O-N 3.09Å; F114-M116 VanDerWaalsContact O-N 3.12Å; M116-I133 VanDerWaalsContact O-CD1 3.26Å; M116-I133 WeakPolarHBondContact O-CD1 3.47Å
117Y92.9Very high92.8Very high58 Ų5855.4 Ų55.423%0.22727%0.273CS..Hα-helixtrans-96.4-36.7179.2-69.9-90000113.2A113 F114 L119 I125 E129 L130 I133 M137A113-Y117 VanDerWaalsContact O-CD2 3.25Å; A113-Y117 WeakPolarHBondContact O-CD2 3.32Å; F114-Y117 WeakPolarHBondContact O-CA 3.39Å; F114-Y117 PolarHBondContact O-N 2.96Å; Y117-L119 PolarHBondContact O-N 3.46Å; Y117-L119 VanDerWaalsContact O-N 3.12Å; Y117-I125 VanDerWaalsContact CB-CD1 3.47Å; Y117-I125 HydrophobicContact CG-CD1 4.28Å; Y117-E129 WeakPolarHBondContact O-CB 3.36Å; Y117-L130 HydrophobicContact CD1-CD1 3.86Å; Y117-L130 HydrophobicContact CE1-CD1 3.9Å; Y117-I133 HydrophobicContact CD1-CB 3.93Å; Y117-I133 HydrophobicContact CD1-CG1 4.2Å; Y117-I133 HydrophobicContact CD1-CG2 3.62Å; Y117-I133 HydrophobicContact CE1-CB 4.15Å; Y117-I133 HydrophobicContact CE1-CG2 3.44Å; Y117-I133 VanDerWaalsContact CE1-CG2 3.44Å; Y117-I133 HydrophobicContact CG-CG2 4.45Å; Y117-M137 HydrophobicContact CE1-CE 4.42Å
118D94.3Very high93Very high10 Ų1054.6 Ų54.65%0.05328%0.279CS..  trans-75.892.3174.71774000109.3F114 N120 R121 D122 G123 I125F114-D118 HydrophobicContact CD1-CB 4.08Å; F114-D118 HydrophobicContact CE1-CB 3.65Å; F114-D118 WeakPolarHBondContact CE1-OD2 3.27Å; F114-D118 HydrophobicContact CZ-CB 4.24Å; F114-D118 PolarHBondContact O-N 2.95Å; D118-N120 PolarHBondContact OD1-OD1 3.11Å; D118-N120 VanDerWaalsContact OD1-OD1 3.05Å; D118-R121 VanDerWaalsContact CG-CA 3.47Å; D118-R121 WeakPolarHBondContact OD1-CA 3.47Å; D118-R121 PolarHBondContact OD1-N 3.24Å; D118-R121 WeakPolarHBondContact OD2-CA 3.31Å; D118-D122 PolarHBondContact OD1-N 3.43Å; D118-G123 VanDerWaalsContact OD2-CA 3.27Å; D118-G123 WeakPolarHBondContact OD2-CA 3.06Å; D118-G123 PolarHBondContact OD2-N 3.24Å; D118-I125 HydrophobicContact CB-CG1 4.24Å
119L91.2Very high93.4Very high78 Ų7852.5 Ų52.541%0.40827%0.267SS..SBendtrans-76.5-35.7-170.3-68.7-178.4000111.7Y117 E129 I133Y117-L119 PolarHBondContact O-N 3.46Å; Y117-L119 VanDerWaalsContact O-N 3.12Å; L119-E129 HydrophobicContact CB-CG 4.08Å; L119-E129 HydrophobicContact CD1-CB 4.28Å; L119-E129 HydrophobicContact CD1-CG 4.2Å; L119-E129 HydrophobicContact CG-CB 4.26Å; L119-E129 HydrophobicContact CG-CG 4.2Å; L119-E129 PolarHBondContact N-OE1 3.39Å; L119-I133 HydrophobicContact CD2-CD1 3.66Å; L119-I133 HydrophobicContact CD2-CG1 4.24Å; L119-I133 HydrophobicContact CG-CD1 4.42Å
120N92.3Very high93.6Very high96 Ų9650.9 Ų50.951%0.51326%0.261SS..SBendtrans-89.1-11.6179.773.65000113.2D118 D122 E129D118-N120 PolarHBondContact OD1-OD1 3.11Å; D118-N120 VanDerWaalsContact OD1-OD1 3.05Å; N120-D122 VanDerWaalsContact C-N 3.35Å; N120-D122 PolarHBondContact ND2-OD2 2.93Å; N120-D122 WeakPolarHBondContact OD1-CB 3.26Å; N120-D122 PolarHBondContact OD1-N 3.48Å; N120-D122 PolarHBondContact OD1-OD1 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3Å; N120-E129 PolarHBondContact N-OE1 3.36Å; N120-E129 PolarHBondContact OD1-OE1 3.39Å
121R89.6Confident93.7Very high134 Ų13450.9 Ų50.951%0.50626%0.261SS..  trans64.632.7-179.4-56.4-178.8176171.3-3.2114.1D118 G123D118-R121 VanDerWaalsContact CG-CA 3.47Å; D118-R121 WeakPolarHBondContact OD1-CA 3.47Å; D118-R121 PolarHBondContact OD1-N 3.24Å; D118-R121 WeakPolarHBondContact OD2-CA 3.31Å; R121-G123 PolarHBondContact O-N 2.88Å
122D95Very high93.8Very high79 Ų7947.6 Ų47.642%0.42226%0.256SS..SBendtrans-82.1-2.8175.873.714.1000113.1D118 N120 F124D118-D122 PolarHBondContact OD1-N 3.43Å; N120-D122 VanDerWaalsContact C-N 3.35Å; N120-D122 PolarHBondContact ND2-OD2 2.93Å; N120-D122 WeakPolarHBondContact OD1-CB 3.26Å; N120-D122 PolarHBondContact OD1-N 3.48Å; N120-D122 PolarHBondContact OD1-OD1 3.48Å; N120-D122 PolarHBondContact OD1-OD2 3Å; D122-F124 WeakPolarHBondContact O-CD2 3.48Å; D122-F124 WeakPolarHBondContact OD1-CA 3.38Å; D122-F124 WeakPolarHBondContact OD1-CB 3.25Å; D122-F124 WeakPolarHBondContact OD1-CD2 3.27Å; D122-F124 PolarHBondContact OD1-N 3.42Å
123G95.3Very high94Very high29 Ų2946.1 Ų46.130%0.29925%0.249SC..SBendtrans90.38.8-179.800000113.8F114 D118 R121F114-G123 VanDerWaalsContact CZ-O 3.26Å; F114-G123 WeakPolarHBondContact CZ-O 3.49Å; D118-G123 VanDerWaalsContact OD2-CA 3.27Å; D118-G123 WeakPolarHBondContact OD2-CA 3.06Å; D118-G123 PolarHBondContact OD2-N 3.24Å; R121-G123 PolarHBondContact O-N 2.88Å
124F97.8Very high94.1Very high59 Ų5945.9 Ų45.926%0.25924%0.243SC..EExtended strand (participates in β ladder)trans-131.5154.7178.6-55.9-90000111.5D122 K165 I166D122-F124 WeakPolarHBondContact O-CD2 3.48Å; D122-F124 WeakPolarHBondContact OD1-CA 3.38Å; D122-F124 WeakPolarHBondContact OD1-CB 3.25Å; D122-F124 WeakPolarHBondContact OD1-CD2 3.27Å; D122-F124 PolarHBondContact OD1-N 3.42Å; F124-K165 HydrophobicContact CB-CB 4.14Å; F124-K165 HydrophobicContact CB-CD 3.67Å; F124-K165 HydrophobicContact CB-CG 4.1Å; F124-K165 HydrophobicContact CD1-CD 3.54Å; F124-K165 HydrophobicContact CD1-CG 3.82Å; F124-K165 HydrophobicContact CD2-CD 4.21Å; F124-K165 HydrophobicContact CE1-CD 4.22Å; F124-K165 VanDerWaalsContact CE2-NZ 3.34Å; F124-K165 HydrophobicContact CG-CD 3.54Å; F124-K165 HydrophobicContact CG-CG 4.17Å; F124-I166 CarbonylContact C-O 3.52Å; F124-I166 WeakPolarHBondContact CA-O 3.22Å
125I97.8Very high94Very high4 Ų450 Ų502%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-111.4114170.7-59.1161.6000107.7F114 Y117 D118 L130 K165 I166 F171F114-I125 HydrophobicContact CD2-CD1 3.44Å; F114-I125 VanDerWaalsContact CD2-CD1 3.44Å; F114-I125 HydrophobicContact CD2-CG1 4.09Å; F114-I125 HydrophobicContact CE2-CD1 3.4Å; F114-I125 VanDerWaalsContact CE2-CD1 3.4Å; F114-I125 HydrophobicContact CE2-CG1 3.61Å; F114-I125 HydrophobicContact CG-CD1 4.24Å; F114-I125 HydrophobicContact CZ-CD1 4.16Å; F114-I125 HydrophobicContact CZ-CG1 3.88Å; Y117-I125 VanDerWaalsContact CB-CD1 3.47Å; Y117-I125 HydrophobicContact CG-CD1 4.28Å; D118-I125 HydrophobicContact CB-CG1 4.24Å; I125-L130 HydrophobicContact CG2-CB 4.14Å; I125-K165 WeakPolarHBondContact O-CA 3.37Å; I125-I166 HydrophobicContact CB-CB 4.27Å; I125-I166 PolarHBondContact N-O 3.22Å; I125-I166 PolarHBondContact O-N 3.05Å; I125-F171 HydrophobicContact CD1-CD2 3.97Å; I125-F171 HydrophobicContact CD1-CE2 4.33Å
126T97.8Very high93.9Very high41 Ų4152.9 Ų52.925%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-84.7163173.965.10000111.6N128 E129 L130 K165T126-N128 PolarHBondContact O-N 2.89Å; T126-E129 WeakPolarHBondContact CB-OE2 3.27Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.46Å; T126-E129 PolarHBondContact N-OE2 3.23Å; T126-E129 PolarHBondContact O-N 2.86Å; T126-E129 VanDerWaalsContact OG1-CG 3.31Å; T126-E129 WeakPolarHBondContact OG1-CG 3.19Å; T126-E129 PolarHBondContact OG1-N 3.12Å; T126-E129 PolarHBondContact OG1-OE2 3.01Å; T126-L130 WeakPolarHBondContact O-CB 3.46Å; T126-L130 PolarHBondContact O-N 2.95Å; T126-K165 HydrophobicContact CG2-CB 4.41Å
127K97.2Very high93.9Very high64 Ų6455.3 Ų55.328%0.27828%0.284SS..Hα-helixtrans-52.7-40.8172.2-178.6-179.6166.6177.20112.2L130 L131 D148 A151 T152 I155K127-L130 PolarHBondContact O-N 3.44Å; K127-L131 HydrophobicContact CG-CD1 4.24Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 WeakPolarHBondContact O-CG 3.23Å; K127-L131 PolarHBondContact O-N 2.8Å; K127-D148 WeakPolarHBondContact CE-OD1 3.37Å; K127-D148 IonicContact NZ-OD1 2.71Å; K127-D148 PolarHBondContact NZ-OD1 3.26Å; K127-D148 IonicContact NZ-OD2 3.05Å; K127-D148 PolarHBondContact NZ-OD2 2.89Å; K127-A151 HydrophobicContact CG-CB 4.1Å; K127-T152 VanDerWaalsContact CE-OG1 3.23Å; K127-T152 WeakPolarHBondContact CE-OG1 3.27Å; K127-T152 PolarHBondContact NZ-OG1 2.97Å; K127-I155 HydrophobicContact CB-CG1 4.09Å
128N96.8Very high93.6Very high116 Ų11654.6 Ų54.662%0.6229%0.285SS*.Hα-helixtrans-69.6-39-176.5-70.2-18.3000112.2T126 L131 S132T126-N128 PolarHBondContact O-N 2.89Å; N128-L131 PolarHBondContact O-N 3.4Å; N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.44Å; N128-S132 PolarHBondContact O-OG 3.29Å
129E96.4Very high92.9Very high14 Ų1455.4 Ų55.47%0.06530%0.296CS..Hα-helixtrans-68.3-44175-68.4168.2123.700111Y117 L119 N120 T126 L131 S132 I133Y117-E129 WeakPolarHBondContact O-CB 3.36Å; L119-E129 HydrophobicContact CB-CG 4.08Å; L119-E129 HydrophobicContact CD1-CB 4.28Å; L119-E129 HydrophobicContact CD1-CG 4.2Å; L119-E129 HydrophobicContact CG-CB 4.26Å; L119-E129 HydrophobicContact CG-CG 4.2Å; L119-E129 PolarHBondContact N-OE1 3.39Å; N120-E129 PolarHBondContact N-OE1 3.36Å; N120-E129 PolarHBondContact OD1-OE1 3.39Å; T126-E129 WeakPolarHBondContact CB-OE2 3.27Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.46Å; T126-E129 PolarHBondContact N-OE2 3.23Å; T126-E129 PolarHBondContact O-N 2.86Å; T126-E129 VanDerWaalsContact OG1-CG 3.31Å; T126-E129 WeakPolarHBondContact OG1-CG 3.19Å; T126-E129 PolarHBondContact OG1-N 3.12Å; T126-E129 PolarHBondContact OG1-OE2 3.01Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3Å; E129-S132 WeakPolarHBondContact O-CB 3.45Å; E129-S132 PolarHBondContact O-N 3.06Å; E129-S132 VanDerWaalsContact O-N 3.11Å; E129-I133 WeakPolarHBondContact O-CG1 3.42Å; E129-I133 PolarHBondContact O-N 3.32Å
130L95.1Very high92.2Very high13 Ų1357.3 Ų57.37%0.06832%0.316CS..Hα-helixtrans-57.6-45.3174.3-179.158.7000111.5Y117 I125 T126 K127 S132 I133 L134 A151 T154Y117-L130 HydrophobicContact CD1-CD1 3.86Å; Y117-L130 HydrophobicContact CE1-CD1 3.9Å; I125-L130 HydrophobicContact CG2-CB 4.14Å; T126-L130 WeakPolarHBondContact O-CB 3.46Å; T126-L130 PolarHBondContact O-N 2.95Å; K127-L130 PolarHBondContact O-N 3.44Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 2.79Å; L130-I133 PolarHBondContact O-N 2.95Å; L130-L134 HydrophobicContact CD1-CD1 4.19Å; L130-L134 HydrophobicContact CD1-CG 4.15Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 VanDerWaalsContact O-CG 3.22Å; L130-L134 WeakPolarHBondContact O-CG 3.41Å; L130-L134 PolarHBondContact O-N 3.25Å; L130-A151 HydrophobicContact CD2-CB 4.01Å; L130-A151 HydrophobicContact CG-CB 4.2Å; L130-T154 HydrophobicContact CD2-CG2 3.74Å
131L94.1Very high91.6Very high35 Ų3560.9 Ų60.918%0.18333%0.329CS..Hα-helixtrans-59.1-44.4174.6-85.7174.4000112.5K127 N128 E129 I133 L134 N135 L147 A151K127-L131 HydrophobicContact CG-CD1 4.24Å; K127-L131 WeakPolarHBondContact O-CB 3.38Å; K127-L131 WeakPolarHBondContact O-CG 3.23Å; K127-L131 PolarHBondContact O-N 2.8Å; N128-L131 PolarHBondContact O-N 3.4Å; E129-L131 VanDerWaalsContact C-N 3.31Å; E129-L131 PolarHBondContact O-N 3Å; L131-I133 VanDerWaalsContact C-N 3.35Å; L131-I133 PolarHBondContact O-N 3.44Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-N135 VanDerWaalsContact O-CB 3.23Å; L131-N135 WeakPolarHBondContact O-CB 3.45Å; L131-N135 PolarHBondContact O-N 3.29Å; L131-L147 VanDerWaalsContact CD2-C 3.49Å; L131-L147 HydrophobicContact CD2-CB 3.84Å; L131-L147 WeakPolarHBondContact CD2-O 3.19Å; L131-A151 HydrophobicContact CD2-CB 3.81Å; L131-A151 HydrophobicContact CG-CB 3.71Å
132S93Very high91.3Very high49 Ų4956.7 Ų56.734%0.34332%0.316SS..Hα-helixtrans-59.7-47.2179.7-61.10000110.9N128 E129 L130 N135 M136N128-S132 WeakPolarHBondContact O-CB 3.4Å; N128-S132 PolarHBondContact O-N 3.44Å; N128-S132 PolarHBondContact O-OG 3.29Å; E129-S132 WeakPolarHBondContact O-CB 3.45Å; E129-S132 PolarHBondContact O-N 3.06Å; E129-S132 VanDerWaalsContact O-N 3.11Å; L130-S132 VanDerWaalsContact C-N 3.34Å; L130-S132 PolarHBondContact O-N 2.79Å; S132-N135 PolarHBondContact O-N 3.18Å; S132-M136 VanDerWaalsContact O-CG 3.32Å; S132-M136 WeakPolarHBondContact O-CG 3.38Å; S132-M136 PolarHBondContact O-N 3.47Å
133I92.7Very high91Very high1 Ų160 Ų601%0.00533%0.329CS..Hα-helixtrans-67.9-43.3178.4-65-58.4000112.3L62 M65 M116 Y117 L119 E129 L130 L131 N135 M136 M137L62-I133 HydrophobicContact CD2-CG2 4.29Å; M65-I133 HydrophobicContact CE-CD1 3.33Å; M65-I133 HydrophobicContact SD-CD1 3.52Å; M65-I133 VanDerWaalsContact SD-CD1 3.52Å; M116-I133 VanDerWaalsContact O-CD1 3.26Å; M116-I133 WeakPolarHBondContact O-CD1 3.47Å; Y117-I133 HydrophobicContact CD1-CB 3.93Å; Y117-I133 HydrophobicContact CD1-CG1 4.2Å; Y117-I133 HydrophobicContact CD1-CG2 3.62Å; Y117-I133 HydrophobicContact CE1-CB 4.15Å; Y117-I133 HydrophobicContact CE1-CG2 3.44Å; Y117-I133 VanDerWaalsContact CE1-CG2 3.44Å; Y117-I133 HydrophobicContact CG-CG2 4.45Å; L119-I133 HydrophobicContact CD2-CD1 3.66Å; L119-I133 HydrophobicContact CD2-CG1 4.24Å; L119-I133 HydrophobicContact CG-CD1 4.42Å; E129-I133 WeakPolarHBondContact O-CG1 3.42Å; E129-I133 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 2.95Å; L131-I133 VanDerWaalsContact C-N 3.35Å; L131-I133 PolarHBondContact O-N 3.44Å; I133-N135 VanDerWaalsContact C-N 3.3Å; I133-N135 PolarHBondContact O-N 3.1Å; I133-M136 HydrophobicContact CD1-SD 4.06Å; I133-M136 PolarHBondContact O-N 3.47Å; I133-M137 HydrophobicContact CG2-CE 3.78Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 HydrophobicContact CG2-SD 4.25Å; I133-M137 WeakPolarHBondContact O-CG 3.47Å; I133-M137 PolarHBondContact O-N 3.39Å
134L91.9Very high90.6Very high27 Ų2762.2 Ų62.214%0.14134%0.344CS..Hα-helixtrans-58.8-45.1175.8-73.6174.3000111L130 L131 M136 M137 V138 L147 I150 A151L130-L134 HydrophobicContact CD1-CD1 4.19Å; L130-L134 HydrophobicContact CD1-CG 4.15Å; L130-L134 HydrophobicContact CG-CD1 3.98Å; L130-L134 HydrophobicContact CG-CG 4.39Å; L130-L134 WeakPolarHBondContact O-CB 3.3Å; L130-L134 VanDerWaalsContact O-CG 3.22Å; L130-L134 WeakPolarHBondContact O-CG 3.41Å; L130-L134 PolarHBondContact O-N 3.25Å; L131-L134 PolarHBondContact O-N 3.21Å; L134-M136 PolarHBondContact O-N 2.97Å; L134-M137 HydrophobicContact CD2-CE 3.9Å; L134-M137 PolarHBondContact O-N 3.04Å; L134-V138 WeakPolarHBondContact O-CG2 3.27Å; L134-V138 PolarHBondContact O-N 2.79Å; L134-L147 HydrophobicContact CB-CD2 4.31Å; L134-I150 HydrophobicContact CD1-CG2 3.98Å; L134-A151 HydrophobicContact CD1-CB 4.35Å
135N91Very high90.3Very high92 Ų9264.9 Ų64.949%0.49236%0.361SS..Hα-helixtrans-63.1-40.1178-170.349.3000111.9L131 S132 I133 G139 L147L131-N135 VanDerWaalsContact O-CB 3.23Å; L131-N135 WeakPolarHBondContact O-CB 3.45Å; L131-N135 PolarHBondContact O-N 3.29Å; S132-N135 PolarHBondContact O-N 3.18Å; I133-N135 VanDerWaalsContact C-N 3.3Å; I133-N135 PolarHBondContact O-N 3.1Å; N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.45Å; N135-G139 PolarHBondContact O-N 3.11Å; N135-L147 HydrophobicContact CB-CD1 4.22Å
136M90.2Very high90.1Very high92 Ų9268.6 Ų68.645%0.45338%0.379SS..Hα-helixtrans-59.8-47.6172.6-70.9173.7-173.300111.3P61 M65 S132 I133 L134P61-M136 HydrophobicContact CB-CB 4.36Å; P61-M136 WeakPolarHBondContact CB-O 3.32Å; M65-M136 HydrophobicContact CE-SD 3.5Å; M65-M136 WeakPolarHBondContact CE-SD 3.49Å; S132-M136 VanDerWaalsContact O-CG 3.32Å; S132-M136 WeakPolarHBondContact O-CG 3.38Å; S132-M136 PolarHBondContact O-N 3.47Å; I133-M136 HydrophobicContact CD1-SD 4.06Å; I133-M136 PolarHBondContact O-N 3.47Å; L134-M136 PolarHBondContact O-N 2.97Å
137M89.6Confident89.8Confident70 Ų7066.9 Ų66.935%0.34537%0.368SS..Hα-helixtrans-70.3-39.8-174.5-70.1-173-60.600114.3L62 Y117 I133 L134L62-M137 HydrophobicContact CD1-SD 4.31Å; L62-M137 HydrophobicContact CD2-CG 3.83Å; L62-M137 HydrophobicContact CD2-SD 4.3Å; L62-M137 HydrophobicContact CG-CG 4.33Å; Y117-M137 HydrophobicContact CE1-CE 4.42Å; I133-M137 HydrophobicContact CG2-CE 3.78Å; I133-M137 HydrophobicContact CG2-CG 4.49Å; I133-M137 HydrophobicContact CG2-SD 4.25Å; I133-M137 WeakPolarHBondContact O-CG 3.47Å; I133-M137 PolarHBondContact O-N 3.39Å; L134-M137 HydrophobicContact CD2-CE 3.9Å; L134-M137 PolarHBondContact O-N 3.04Å
138V87.1Confident89.7Confident44 Ų4466.9 Ų66.927%0.26737%0.371SS..Hα-helixtrans-96.9-18.6-175-57.20000113.1L134 H141 I142 L147L134-V138 WeakPolarHBondContact O-CG2 3.27Å; L134-V138 PolarHBondContact O-N 2.79Å; V138-H141 PolarHBondContact O-ND1 3.38Å; V138-I142 HydrophobicContact CB-CD1 3.95Å; V138-I142 HydrophobicContact CB-CG1 4.25Å; V138-I142 HydrophobicContact CG1-CD1 3.88Å; V138-I142 HydrophobicContact CG2-CB 4.19Å; V138-I142 HydrophobicContact CG2-CD1 4.1Å; V138-I142 HydrophobicContact CG2-CG1 4.23Å; V138-L147 HydrophobicContact CG2-CD1 4Å; V138-L147 HydrophobicContact CG2-CD2 3.82Å
139G78.7Confident89.6Confident27 Ų2768.5 Ų68.528%0.27837%0.368SS..G310 helixtrans58.1-150-172.900000112.4N135 H141N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.45Å; N135-G139 PolarHBondContact O-N 3.11Å; G139-H141 PolarHBondContact O-N 3.47Å; G139-H141 VanDerWaalsContact O-N 3.15Å
140S76.4Confident89.5Confident118 Ų11871 Ų7183%0.82538%0.381SS*.G310 helixtrans-77.49.2-177.660.60000115I142S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 2.96Å
141H80.1Confident89.5Confident170 Ų17070.3 Ų70.379%0.78738%0.378SS*.G310 helixtrans-76.4-16.9-178.3-61.694.8000113.2V138 G139V138-H141 PolarHBondContact O-ND1 3.38Å; G139-H141 PolarHBondContact O-N 3.47Å; G139-H141 VanDerWaalsContact O-N 3.15Å
142I83.9Confident89.6Confident46 Ų4671.6 Ų71.624%0.23639%0.387CS..SBendtrans-121.7132.8179.7-57.8-176.1000108.4V138 S140 Q146 L147V138-I142 HydrophobicContact CB-CD1 3.95Å; V138-I142 HydrophobicContact CB-CG1 4.25Å; V138-I142 HydrophobicContact CG1-CD1 3.88Å; V138-I142 HydrophobicContact CG2-CB 4.19Å; V138-I142 HydrophobicContact CG2-CD1 4.1Å; V138-I142 HydrophobicContact CG2-CG1 4.23Å; S140-I142 VanDerWaalsContact C-N 3.28Å; S140-I142 PolarHBondContact O-N 2.96Å; I142-Q146 HydrophobicContact CG2-CB 3.67Å; I142-Q146 HydrophobicContact CG2-CG 3.67Å; I142-L147 HydrophobicContact CB-CD2 3.94Å; I142-L147 HydrophobicContact CB-CG 4.21Å; I142-L147 HydrophobicContact CD1-CD2 4.24Å; I142-L147 HydrophobicContact CG2-CD2 3.62Å; I142-L147 HydrophobicContact CG2-CG 3.83Å
143H87.4Confident89.7Confident148 Ų14877 Ų7769%0.68540%0.4SS*.  trans-62.1143.3177.3-69.5-72.9000111.5D145 Q146 L147H143-D145 PolarHBondContact O-N 3.05Å; H143-Q146 WeakPolarHBondContact O-CA 3.49Å; H143-Q146 WeakPolarHBondContact O-CB 3.26Å; H143-Q146 PolarHBondContact O-N 3.16Å; H143-L147 PolarHBondContact O-N 2.88Å; H143-L147 VanDerWaalsContact O-N 3.1Å
144A88.1Confident89.8Confident76 Ų7679.3 Ų79.363%0.62841%0.414SS*.Hα-helixtrans-51.1-42.9178.400000112.1Q146 L147 D148A144-Q146 VanDerWaalsContact C-N 3.26Å; A144-Q146 PolarHBondContact O-N 3.1Å; A144-L147 PolarHBondContact O-N 3.06Å; A144-L147 VanDerWaalsContact O-N 3.16Å; A144-D148 PolarHBondContact O-N 2.85Å
145D91.4Very high90Very high115 Ų11578.8 Ų78.862%0.61541%0.411SS*.Hα-helixtrans-61.9-32.9177.7-59.2-13.9000113.2H143 R149H143-D145 PolarHBondContact O-N 3.05Å; D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.23Å; D145-R149 PolarHBondContact O-N 3.12Å; D145-R149 PolarHBondContact O-NH1 2.84Å
146Q92.7Very high90.2Very high83 Ų8378 Ų7839%0.38842%0.418SS..Hα-helixtrans-74.5-39.7176.9-179.3175.7-10.100111I142 H143 A144 D148 R149 I150I142-Q146 HydrophobicContact CG2-CB 3.67Å; I142-Q146 HydrophobicContact CG2-CG 3.67Å; H143-Q146 WeakPolarHBondContact O-CA 3.49Å; H143-Q146 WeakPolarHBondContact O-CB 3.26Å; H143-Q146 PolarHBondContact O-N 3.16Å; A144-Q146 VanDerWaalsContact C-N 3.26Å; A144-Q146 PolarHBondContact O-N 3.1Å; Q146-D148 VanDerWaalsContact C-N 3.32Å; Q146-R149 PolarHBondContact O-N 2.99Å; Q146-I150 HydrophobicContact CG-CD1 4.13Å; Q146-I150 VanDerWaalsContact O-CG1 3.27Å; Q146-I150 WeakPolarHBondContact O-CG1 3.39Å; Q146-I150 PolarHBondContact O-N 3.28Å
147L92.8Very high90.4Very high5 Ų578 Ų783%0.02642%0.416CS..Hα-helixtrans-62.9-40.3172.5-62.6-178.1000111.4L131 L134 N135 V138 I142 H143 A144 I150 A151L131-L147 VanDerWaalsContact CD2-C 3.49Å; L131-L147 HydrophobicContact CD2-CB 3.84Å; L131-L147 WeakPolarHBondContact CD2-O 3.19Å; L134-L147 HydrophobicContact CB-CD2 4.31Å; N135-L147 HydrophobicContact CB-CD1 4.22Å; V138-L147 HydrophobicContact CG2-CD1 4Å; V138-L147 HydrophobicContact CG2-CD2 3.82Å; I142-L147 HydrophobicContact CB-CD2 3.94Å; I142-L147 HydrophobicContact CB-CG 4.21Å; I142-L147 HydrophobicContact CD1-CD2 4.24Å; I142-L147 HydrophobicContact CG2-CD2 3.62Å; I142-L147 HydrophobicContact CG2-CG 3.83Å; H143-L147 PolarHBondContact O-N 2.88Å; H143-L147 VanDerWaalsContact O-N 3.1Å; A144-L147 PolarHBondContact O-N 3.06Å; A144-L147 VanDerWaalsContact O-N 3.16Å; L147-I150 PolarHBondContact O-N 3.36Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.18Å
148D94.9Very high90.6Very high63 Ų6374.9 Ų74.934%0.33740%0.402SS..Hα-helixtrans-61-45175.6-169.882.5000112.1K127 A144 Q146 A151 T152K127-D148 WeakPolarHBondContact CE-OD1 3.37Å; K127-D148 IonicContact NZ-OD1 2.71Å; K127-D148 PolarHBondContact NZ-OD1 3.26Å; K127-D148 IonicContact NZ-OD2 3.05Å; K127-D148 PolarHBondContact NZ-OD2 2.89Å; A144-D148 PolarHBondContact O-N 2.85Å; Q146-D148 VanDerWaalsContact C-N 3.32Å; D148-A151 PolarHBondContact O-N 3.27Å; D148-T152 VanDerWaalsContact O-CB 3.25Å; D148-T152 WeakPolarHBondContact O-CB 3.35Å; D148-T152 PolarHBondContact O-N 2.95Å; D148-T152 PolarHBondContact O-OG1 3.3Å; D148-T152 PolarHBondContact OD2-OG1 3.47Å
149R95Very high91.1Very high151 Ų15174.2 Ų74.257%0.5740%0.397SS*.Hα-helixtrans-62.1-43174.7-74.2-172.9-57.9-94.46.3112.3D145 Q146 R153D145-R149 VanDerWaalsContact O-CG 3.3Å; D145-R149 WeakPolarHBondContact O-CG 3.23Å; D145-R149 PolarHBondContact O-N 3.12Å; D145-R149 PolarHBondContact O-NH1 2.84Å; Q146-R149 PolarHBondContact O-N 2.99Å; R149-R153 VanDerWaalsContact O-CB 3.23Å; R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 2.91Å
150I93Very high91.8Very high65 Ų6578.3 Ų78.333%0.33341%0.41SS..Hα-helixtrans-61.7-52.8177.2-69.5164.8000109.6L134 Q146 L147 T152 R153 T154L134-I150 HydrophobicContact CD1-CG2 3.98Å; Q146-I150 HydrophobicContact CG-CD1 4.13Å; Q146-I150 VanDerWaalsContact O-CG1 3.27Å; Q146-I150 WeakPolarHBondContact O-CG1 3.39Å; Q146-I150 PolarHBondContact O-N 3.28Å; L147-I150 PolarHBondContact O-N 3.36Å; I150-T152 PolarHBondContact O-N 3.38Å; I150-R153 PolarHBondContact O-N 2.97Å; I150-T154 WeakPolarHBondContact O-CB 3.45Å; I150-T154 PolarHBondContact O-N 3.44Å; I150-T154 PolarHBondContact O-OG1 3.45Å
151A94.9Very high92.8Very high0 Ų077.6 Ų77.60%040%0.397CS..Hα-helixtrans-61.4-46-178.400000112K127 L130 L131 L134 L147 D148 R153 T154 I155K127-A151 HydrophobicContact CG-CB 4.1Å; L130-A151 HydrophobicContact CD2-CB 4.01Å; L130-A151 HydrophobicContact CG-CB 4.2Å; L131-A151 HydrophobicContact CD2-CB 3.81Å; L131-A151 HydrophobicContact CG-CB 3.71Å; L134-A151 HydrophobicContact CD1-CB 4.35Å; L147-A151 WeakPolarHBondContact O-CB 3.47Å; L147-A151 PolarHBondContact O-N 3.18Å; D148-A151 PolarHBondContact O-N 3.27Å; A151-R153 VanDerWaalsContact C-N 3.32Å; A151-R153 PolarHBondContact O-N 2.85Å; A151-T154 PolarHBondContact O-N 3.01Å; A151-I155 WeakPolarHBondContact O-CG1 3.37Å; A151-I155 PolarHBondContact O-N 3.01Å
152T96.1Very high93.5Very high62 Ų6272.4 Ų72.438%0.3839%0.39SS..Hα-helixtrans-57.9-45.8177.3-57.60000111.3K127 D148 I150 A156K127-T152 VanDerWaalsContact CE-OG1 3.23Å; K127-T152 WeakPolarHBondContact CE-OG1 3.27Å; K127-T152 PolarHBondContact NZ-OG1 2.97Å; D148-T152 VanDerWaalsContact O-CB 3.25Å; D148-T152 WeakPolarHBondContact O-CB 3.35Å; D148-T152 PolarHBondContact O-N 2.95Å; D148-T152 PolarHBondContact O-OG1 3.3Å; D148-T152 PolarHBondContact OD2-OG1 3.47Å; I150-T152 PolarHBondContact O-N 3.38Å; T152-A156 WeakPolarHBondContact O-CB 3.08Å; T152-A156 PolarHBondContact O-N 3.3Å
153R95.4Very high94.1Very high163 Ų16373.5 Ų73.562%0.61540%0.396SS*.Hα-helixtrans-65.9-43.5178.4-177.1175.21791674.2111.7R149 I150 A151 I155 A156 E157R149-R153 VanDerWaalsContact O-CB 3.23Å; R149-R153 WeakPolarHBondContact O-CB 3.42Å; R149-R153 PolarHBondContact O-N 2.91Å; I150-R153 PolarHBondContact O-N 2.97Å; A151-R153 VanDerWaalsContact C-N 3.32Å; A151-R153 PolarHBondContact O-N 2.85Å; R153-I155 PolarHBondContact O-N 2.71Å; R153-A156 PolarHBondContact O-N 3.13Å; R153-E157 HydrophobicContact CG-CG 4.23Å; R153-E157 IonicContact CZ-OE1 3.3Å; R153-E157 VanDerWaalsContact CZ-OE1 3.3Å; R153-E157 IonicContact NE-OE1 2.6Å; R153-E157 PolarHBondContact NE-OE1 3.5Å; R153-E157 IonicContact NE-OE2 3.05Å; R153-E157 IonicContact NH2-OE1 2.97Å; R153-E157 PolarHBondContact NH2-OE1 3.49Å; R153-E157 WeakPolarHBondContact O-CB 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.03Å
154T94.7Very high94.6Very high48 Ų4868.4 Ų68.429%0.29438%0.384SS..Hα-helixtrans-61.2-43.5178.5-62.90000111.8L130 I150 A151 E157 S158 I166L130-T154 HydrophobicContact CD2-CG2 3.74Å; I150-T154 WeakPolarHBondContact O-CB 3.45Å; I150-T154 PolarHBondContact O-N 3.44Å; I150-T154 PolarHBondContact O-OG1 3.45Å; A151-T154 PolarHBondContact O-N 3.01Å; T154-E157 PolarHBondContact O-N 2.72Å; T154-S158 WeakPolarHBondContact O-CB 3.32Å; T154-S158 PolarHBondContact O-N 3.09Å; T154-S158 VanDerWaalsContact O-N 3.13Å; T154-S158 PolarHBondContact O-OG 2.9Å; T154-I166 HydrophobicContact CG2-CD1 4.41Å
155I96.5Very high95Very high16 Ų1667.5 Ų67.58%0.08237%0.366CS..Hα-helixtrans-60.7-52.6173.8-62.8-65.8000109.6K127 A151 R153 E157 S158 D159 I166K127-I155 HydrophobicContact CB-CG1 4.09Å; A151-I155 WeakPolarHBondContact O-CG1 3.37Å; A151-I155 PolarHBondContact O-N 3.01Å; R153-I155 PolarHBondContact O-N 2.71Å; I155-E157 VanDerWaalsContact C-N 3.26Å; I155-E157 PolarHBondContact O-N 3.48Å; I155-S158 PolarHBondContact O-N 2.94Å; I155-D159 HydrophobicContact CG2-CB 4.28Å; I155-D159 VanDerWaalsContact O-CB 3.22Å; I155-D159 WeakPolarHBondContact O-CB 3.08Å; I155-D159 PolarHBondContact O-N 3.27Å; I155-I166 HydrophobicContact CD1-CD1 3.73Å; I155-I166 HydrophobicContact CD1-CG1 3.81Å
156A95Very high95.3Very high76 Ų7662.3 Ų62.363%0.62834%0.338SS*.Hα-helixtrans-61.1-30.6-177.500000114.4T152 R153T152-A156 WeakPolarHBondContact O-CB 3.08Å; T152-A156 PolarHBondContact O-N 3.3Å; R153-A156 PolarHBondContact O-N 3.13Å
157E94Very high95.6Very high91 Ų9159.5 Ų59.543%0.42533%0.327SS..Hα-helixtrans-83.3-18.1177.1-71.6179171.400113.2R153 T154 I155R153-E157 HydrophobicContact CG-CG 4.23Å; R153-E157 IonicContact CZ-OE1 3.3Å; R153-E157 VanDerWaalsContact CZ-OE1 3.3Å; R153-E157 IonicContact NE-OE1 2.6Å; R153-E157 PolarHBondContact NE-OE1 3.5Å; R153-E157 IonicContact NE-OE2 3.05Å; R153-E157 IonicContact NH2-OE1 2.97Å; R153-E157 PolarHBondContact NH2-OE1 3.49Å; R153-E157 WeakPolarHBondContact O-CB 3.31Å; R153-E157 WeakPolarHBondContact O-CG 3.46Å; R153-E157 PolarHBondContact O-N 3.03Å; T154-E157 PolarHBondContact O-N 2.72Å; I155-E157 VanDerWaalsContact C-N 3.26Å; I155-E157 PolarHBondContact O-N 3.48Å
158S94.8Very high95.8Very high5 Ų559.8 Ų59.84%0.03533%0.328CS..Hα-helixtrans-110.2-31.8-172-54.20000114.3T154 I155 M160T154-S158 WeakPolarHBondContact O-CB 3.32Å; T154-S158 PolarHBondContact O-N 3.09Å; T154-S158 VanDerWaalsContact O-N 3.13Å; T154-S158 PolarHBondContact O-OG 2.9Å; I155-S158 PolarHBondContact O-N 2.94Å; S158-M160 PolarHBondContact O-N 3.38Å
159D96.5Very high95.9Very high31 Ų3161.7 Ų61.717%0.16634%0.339CS..  trans-72.4101.4178.8175.97.9000109.7I155 N161 G162 D163 G164I155-D159 HydrophobicContact CG2-CB 4.28Å; I155-D159 VanDerWaalsContact O-CB 3.22Å; I155-D159 WeakPolarHBondContact O-CB 3.08Å; I155-D159 PolarHBondContact O-N 3.27Å; D159-N161 PolarHBondContact OD1-N 2.91Å; D159-N161 PolarHBondContact OD1-OD1 2.97Å; D159-N161 VanDerWaalsContact OD1-OD1 3.04Å; D159-G162 VanDerWaalsContact OD1-CA 3.27Å; D159-G162 WeakPolarHBondContact OD1-CA 3.23Å; D159-G162 PolarHBondContact OD1-N 3.32Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å; D159-D163 PolarHBondContact OD1-N 3.27Å; D159-D163 PolarHBondContact OD2-N 3.48Å; D159-G164 VanDerWaalsContact OD2-CA 3.26Å; D159-G164 WeakPolarHBondContact OD2-CA 3.44Å; D159-G164 PolarHBondContact OD2-N 3.38Å
160M95.1Very high96Very high113 Ų11355 Ų5556%0.55731%0.314SS*.SBendtrans-88.7-25.5-174.1-63.6-168.9145.300112.3S158 E170 H173S158-M160 PolarHBondContact O-N 3.38Å; M160-E170 HydrophobicContact CB-CG 4.2Å; M160-E170 HydrophobicContact CG-CG 4.1Å; M160-E170 PolarHBondContact N-OE1 3.24Å; M160-H173 WeakPolarHBondContact CE-CD2 2.99Å; M160-H173 VanDerWaalsContact CE-NE2 3.35Å; M160-H173 WeakPolarHBondContact CE-NE2 3.39Å
161N96.4Very high96.1Very high102 Ų10253.6 Ų53.655%0.54531%0.305SS..SBendtrans-97.3-11.8-177.672.915.2000113D159 D163 E170D159-N161 PolarHBondContact OD1-N 2.91Å; D159-N161 PolarHBondContact OD1-OD1 2.97Å; D159-N161 VanDerWaalsContact OD1-OD1 3.04Å; N161-D163 PolarHBondContact ND2-OD2 2.77Å; N161-D163 VanDerWaalsContact OD1-CB 3.25Å; N161-D163 WeakPolarHBondContact OD1-CB 3.41Å; N161-D163 PolarHBondContact OD1-N 3.46Å; N161-D163 PolarHBondContact OD1-OD1 3.22Å; N161-E170 PolarHBondContact N-OE1 2.76Å
162G94.8Very high96.1Very high62 Ų6254 Ų5464%0.63931%0.308SS*.SBendtrans79.222.8177.600000114.5D159 G164D159-G162 VanDerWaalsContact OD1-CA 3.27Å; D159-G162 WeakPolarHBondContact OD1-CA 3.23Å; D159-G162 PolarHBondContact OD1-N 3.32Å; D159-G162 WeakPolarHBondContact OD2-CA 3.45Å; G162-G164 VanDerWaalsContact C-N 3.29Å
163D97.3Very high95.9Very high68 Ų6854.9 Ų54.936%0.36431%0.308SS..SBendtrans-85.40.4-179.375.42.8000114D159 N161 K165D159-D163 PolarHBondContact OD1-N 3.27Å; D159-D163 PolarHBondContact OD2-N 3.48Å; N161-D163 PolarHBondContact ND2-OD2 2.77Å; N161-D163 VanDerWaalsContact OD1-CB 3.25Å; N161-D163 WeakPolarHBondContact OD1-CB 3.41Å; N161-D163 PolarHBondContact OD1-N 3.46Å; N161-D163 PolarHBondContact OD1-OD1 3.22Å; D163-K165 VanDerWaalsContact C-N 3.34Å; D163-K165 VanDerWaalsContact CG-CG 3.46Å; D163-K165 WeakPolarHBondContact OD1-CG 3.34Å; D163-K165 PolarHBondContact OD1-N 3.36Å; D163-K165 VanDerWaalsContact OD1-N 3.12Å; D163-K165 VanDerWaalsContact OD1-O 3.11Å; D163-K165 WeakPolarHBondContact OD2-CE 3.47Å
164G96.2Very high95.6Very high42 Ų4248 Ų4843%0.43328%0.283SS..SBendtrans81.69.2175.200000114.4D159 G162D159-G164 VanDerWaalsContact OD2-CA 3.26Å; D159-G164 WeakPolarHBondContact OD2-CA 3.44Å; D159-G164 PolarHBondContact OD2-N 3.38Å; G162-G164 VanDerWaalsContact C-N 3.29Å
165K97.7Very high95.2Very high56 Ų5647 Ų4724%0.24328%0.278CS..EExtended strand (participates in β ladder)trans-141168.1-178.453.9-174.4-175.3164.10109.6F124 I125 T126 D163F124-K165 HydrophobicContact CB-CB 4.14Å; F124-K165 HydrophobicContact CB-CD 3.67Å; F124-K165 HydrophobicContact CB-CG 4.1Å; F124-K165 HydrophobicContact CD1-CD 3.54Å; F124-K165 HydrophobicContact CD1-CG 3.82Å; F124-K165 HydrophobicContact CD2-CD 4.21Å; F124-K165 HydrophobicContact CE1-CD 4.22Å; F124-K165 VanDerWaalsContact CE2-NZ 3.34Å; F124-K165 HydrophobicContact CG-CD 3.54Å; F124-K165 HydrophobicContact CG-CG 4.17Å; I125-K165 WeakPolarHBondContact O-CA 3.37Å; T126-K165 HydrophobicContact CG2-CB 4.41Å; D163-K165 VanDerWaalsContact C-N 3.34Å; D163-K165 VanDerWaalsContact CG-CG 3.46Å; D163-K165 WeakPolarHBondContact OD1-CG 3.34Å; D163-K165 PolarHBondContact OD1-N 3.36Å; D163-K165 VanDerWaalsContact OD1-N 3.12Å; D163-K165 VanDerWaalsContact OD1-O 3.11Å; D163-K165 WeakPolarHBondContact OD2-CE 3.47Å
166I98.1Very high94.6Very high7 Ų751.9 Ų51.94%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-110.3113.7-179.9-60171.5000108.5F124 I125 T154 I155 E170 F171F124-I166 CarbonylContact C-O 3.52Å; F124-I166 WeakPolarHBondContact CA-O 3.22Å; I125-I166 HydrophobicContact CB-CB 4.27Å; I125-I166 PolarHBondContact N-O 3.22Å; I125-I166 PolarHBondContact O-N 3.05Å; T154-I166 HydrophobicContact CG2-CD1 4.41Å; I155-I166 HydrophobicContact CD1-CD1 3.73Å; I155-I166 HydrophobicContact CD1-CG1 3.81Å; I166-E170 HydrophobicContact CG2-CB 4.01Å; I166-F171 HydrophobicContact CG2-CB 3.9Å
167S97.9Very high94Very high24 Ų2452.4 Ų52.417%0.16829%0.293CS..EExtended strand (participates in β ladder)trans-72.2164.1169.168.50000111.9D169 E170 F171S167-D169 VanDerWaalsContact C-N 3.27Å; S167-D169 PolarHBondContact O-N 2.91Å; S167-E170 VanDerWaalsContact CB-OE2 3.29Å; S167-E170 WeakPolarHBondContact CB-OE2 3.22Å; S167-E170 PolarHBondContact N-OE2 2.9Å; S167-E170 PolarHBondContact O-N 3.22Å; S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 WeakPolarHBondContact OG-CG 3.41Å; S167-E170 PolarHBondContact OG-N 3.05Å; S167-E170 PolarHBondContact OG-OE2 2.83Å; S167-F171 WeakPolarHBondContact O-CB 3.29Å; S167-F171 PolarHBondContact O-N 3.48Å
168F97.3Very high93.3Very high10 Ų1054.3 Ų54.34%0.04430%0.297CS..Hα-helixtrans-59-37176.7178-115000114R107 L110 R111 F114 F171 C172R107-F168 HydrophobicContact CG-CE1 3.99Å; R107-F168 HydrophobicContact CG-CZ 3.87Å; L110-F168 HydrophobicContact CB-CE2 4.32Å; R111-F168 HydrophobicContact CB-CE2 3.81Å; R111-F168 HydrophobicContact CB-CZ 3.76Å; R111-F168 HydrophobicContact CG-CE2 4.44Å; R111-F168 HydrophobicContact CG-CZ 4.45Å; R111-F168 VanDerWaalsContact NH1-CB 3.27Å; F114-F168 HydrophobicContact CB-CD2 3.89Å; F114-F168 HydrophobicContact CB-CE2 4.2Å; F114-F168 HydrophobicContact CD1-CD2 4.28Å; F114-F168 HydrophobicContact CD2-CB 4.4Å; F114-F168 AromaticContact CD2-CD2 3.98Å; F114-F168 HydrophobicContact CD2-CD2 3.98Å; F114-F168 HydrophobicContact CE2-CB 4.26Å; F114-F168 AromaticContact CG-CD2 3.77Å; F114-F168 HydrophobicContact CG-CD2 3.77Å; F114-F168 HydrophobicContact CZ-CB 4.34Å; F168-F171 PolarHBondContact O-N 2.84Å; F168-C172 VanDerWaalsContact CE2-SG 3.53Å; F168-C172 WeakPolarHBondContact CZ-SG 3.34Å; F168-C172 WeakPolarHBondContact O-CB 3.38Å; F168-C172 PolarHBondContact O-N 2.87Å; F168-C172 PolarHBondContact O-SG 3.39Å
169D96.9Very high92.4Very high103 Ų10358 Ų5855%0.55132%0.32SS*.Hα-helixtrans-72.6-36.2-178.5-70.9-30.2000111.1R107 S167 C172 H173R107-D169 IonicContact NH2-OD1 3.5Å; S167-D169 VanDerWaalsContact C-N 3.27Å; S167-D169 PolarHBondContact O-N 2.91Å; D169-C172 WeakPolarHBondContact O-CB 3.26Å; D169-C172 PolarHBondContact O-N 2.71Å; D169-H173 WeakPolarHBondContact O-CB 3.25Å; D169-H173 PolarHBondContact O-N 3.41Å
170E97.1Very high91Very high11 Ų1159.2 Ų59.25%0.05133%0.334CS..Hα-helixtrans-64.3-45.8170.9-73.2162.5145.400111.6M160 N161 I166 S167 C172 H173 V174M160-E170 HydrophobicContact CB-CG 4.2Å; M160-E170 HydrophobicContact CG-CG 4.1Å; M160-E170 PolarHBondContact N-OE1 3.24Å; N161-E170 PolarHBondContact N-OE1 2.76Å; I166-E170 HydrophobicContact CG2-CB 4.01Å; S167-E170 VanDerWaalsContact CB-OE2 3.29Å; S167-E170 WeakPolarHBondContact CB-OE2 3.22Å; S167-E170 PolarHBondContact N-OE2 2.9Å; S167-E170 PolarHBondContact O-N 3.22Å; S167-E170 VanDerWaalsContact OG-CD 3.29Å; S167-E170 WeakPolarHBondContact OG-CG 3.41Å; S167-E170 PolarHBondContact OG-N 3.05Å; S167-E170 PolarHBondContact OG-OE2 2.83Å; E170-C172 VanDerWaalsContact C-N 3.25Å; E170-C172 PolarHBondContact O-N 2.85Å; E170-H173 WeakPolarHBondContact O-CB 3.36Å; E170-H173 PolarHBondContact O-N 2.71Å; E170-H173 VanDerWaalsContact O-N 3.09Å; E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 2.83Å
171F95.8Very high89.3Confident35 Ų3559.3 Ų59.315%0.15434%0.337CS..Hα-helixtrans-56.3-42.1174.3-176.3-93.3000111.9L110 A113 F114 I125 I166 S167 F168 S175L110-F171 HydrophobicContact CB-CE1 4.39Å; L110-F171 HydrophobicContact CD2-CE1 4.03Å; A113-F171 HydrophobicContact CB-CE1 4.39Å; A113-F171 HydrophobicContact CB-CZ 4.34Å; F114-F171 HydrophobicContact CB-CD1 4.18Å; F114-F171 HydrophobicContact CB-CE1 4.27Å; F114-F171 HydrophobicContact CD2-CB 3.74Å; F114-F171 HydrophobicContact CD2-CD1 4.11Å; F114-F171 HydrophobicContact CD2-CD2 4.17Å; F114-F171 AromaticContact CD2-CG 3.75Å; F114-F171 HydrophobicContact CD2-CG 3.75Å; F114-F171 HydrophobicContact CE2-CB 4.15Å; I125-F171 HydrophobicContact CD1-CD2 3.97Å; I125-F171 HydrophobicContact CD1-CE2 4.33Å; I166-F171 HydrophobicContact CG2-CB 3.9Å; S167-F171 WeakPolarHBondContact O-CB 3.29Å; S167-F171 PolarHBondContact O-N 3.48Å; F168-F171 PolarHBondContact O-N 2.84Å; F171-S175 VanDerWaalsContact O-CB 3.27Å; F171-S175 WeakPolarHBondContact O-CB 2.99Å; F171-S175 PolarHBondContact O-N 2.89Å; F171-S175 PolarHBondContact O-OG 3.03Å
172C94.3Very high87.6Confident8 Ų865.4 Ų65.45%0.05435%0.352CS..Hα-helixtrans-64.5-44.1175.5-75.90000112.2L110 F168 D169 E170 Q176L110-C172 HydrophobicContact CD1-CB 4.37Å; F168-C172 VanDerWaalsContact CE2-SG 3.53Å; F168-C172 WeakPolarHBondContact CZ-SG 3.34Å; F168-C172 WeakPolarHBondContact O-CB 3.38Å; F168-C172 PolarHBondContact O-N 2.87Å; F168-C172 PolarHBondContact O-SG 3.39Å; D169-C172 WeakPolarHBondContact O-CB 3.26Å; D169-C172 PolarHBondContact O-N 2.71Å; E170-C172 VanDerWaalsContact C-N 3.25Å; E170-C172 PolarHBondContact O-N 2.85Å; C172-Q176 WeakPolarHBondContact O-CG 2.96Å; C172-Q176 PolarHBondContact O-N 3.21Å; C172-Q176 VanDerWaalsContact O-N 3.1Å; C172-Q176 PolarHBondContact O-NE2 2.95Å
173H92.9Very high85.5Confident82 Ų8270 Ų7038%0.3835%0.354SS..Hα-helixtrans-60.2-52.6-179.8-174.291.8000111.1M160 D169 E170 S175 Q176 L177M160-H173 WeakPolarHBondContact CE-CD2 2.99Å; M160-H173 VanDerWaalsContact CE-NE2 3.35Å; M160-H173 WeakPolarHBondContact CE-NE2 3.39Å; D169-H173 WeakPolarHBondContact O-CB 3.25Å; D169-H173 PolarHBondContact O-N 3.41Å; E170-H173 WeakPolarHBondContact O-CB 3.36Å; E170-H173 PolarHBondContact O-N 2.71Å; E170-H173 VanDerWaalsContact O-N 3.09Å; H173-S175 PolarHBondContact O-N 2.78Å; H173-Q176 PolarHBondContact O-N 2.83Å; H173-L177 WeakPolarHBondContact NE2-CD1 3.37Å; H173-L177 PolarHBondContact O-N 3.19Å
174V89Confident82.7Confident17 Ų1775.7 Ų75.710%0.10339%0.391CS..Hα-helixtrans-61.2-44.6-179.8172.90000111.4E170 Q176 L177 Y178E170-V174 WeakPolarHBondContact O-CG2 3.49Å; E170-V174 PolarHBondContact O-N 2.83Å; V174-Q176 VanDerWaalsContact C-N 3.27Å; V174-Q176 PolarHBondContact O-N 3.25Å; V174-L177 PolarHBondContact O-N 2.66Å; V174-Y178 HydrophobicContact CG1-CD2 3.67Å; V174-Y178 HydrophobicContact CG1-CE2 3.28Å; V174-Y178 WeakPolarHBondContact O-CD2 3.27Å; V174-Y178 PolarHBondContact O-N 2.83Å; V174-Y178 VanDerWaalsContact O-N 3.09Å
175S85.8Confident82Confident27 Ų2777.4 Ų77.419%0.18939%0.389CS..Hα-helixtrans-59.6-36.7177.3-65.30000113F171 H173 T179F171-S175 VanDerWaalsContact O-CB 3.27Å; F171-S175 WeakPolarHBondContact O-CB 2.99Å; F171-S175 PolarHBondContact O-N 2.89Å; F171-S175 PolarHBondContact O-OG 3.03Å; H173-S175 PolarHBondContact O-N 2.78Å; S175-T179 WeakPolarHBondContact O-CB 3.25Å; S175-T179 PolarHBondContact O-N 3.37Å; S175-T179 PolarHBondContact O-OG1 3.23Å
176Q83.8Confident81.2Confident120 Ų12078.5 Ų78.556%0.56140%0.397SS*.Hα-helixtrans-72.2-40.6177.8-71.4169.633.800111.8C172 H173 V174 T179 A180C172-Q176 WeakPolarHBondContact O-CG 2.96Å; C172-Q176 PolarHBondContact O-N 3.21Å; C172-Q176 VanDerWaalsContact O-N 3.1Å; C172-Q176 PolarHBondContact O-NE2 2.95Å; H173-Q176 PolarHBondContact O-N 2.83Å; V174-Q176 VanDerWaalsContact C-N 3.27Å; V174-Q176 PolarHBondContact O-N 3.25Å; Q176-T179 PolarHBondContact O-N 2.78Å; Q176-A180 PolarHBondContact O-N 2.91Å
177L83.4Confident80.3Confident87 Ų8782.4 Ų82.446%0.45542%0.417SS..Hα-helixtrans-59-49.1175.5-73.3177.9000112H173 V174 T179 A180 N181H173-L177 WeakPolarHBondContact NE2-CD1 3.37Å; H173-L177 PolarHBondContact O-N 3.19Å; V174-L177 PolarHBondContact O-N 2.66Å; L177-T179 VanDerWaalsContact C-N 3.28Å; L177-T179 PolarHBondContact O-N 3.31Å; L177-A180 PolarHBondContact O-N 2.74Å; L177-A180 VanDerWaalsContact O-N 3.15Å; L177-N181 PolarHBondContact O-N 3.31Å
178Y78.8Confident79.2Confident130 Ų13085.9 Ų85.951%0.5143%0.431SS..Hα-helixtrans-63.4-35178.1-73.5-63.5000112.8V174 A180 R182V174-Y178 HydrophobicContact CG1-CD2 3.67Å; V174-Y178 HydrophobicContact CG1-CE2 3.28Å; V174-Y178 WeakPolarHBondContact O-CD2 3.27Å; V174-Y178 PolarHBondContact O-N 2.83Å; V174-Y178 VanDerWaalsContact O-N 3.09Å; Y178-A180 VanDerWaalsContact C-N 3.34Å; Y178-R182 PolarHBondContact O-N 3.12Å
179T75.6Confident78.1Confident83 Ų8390.6 Ų90.651%0.50946%0.456SS..Hα-helixtrans-69.5-33.3176.5-56.90000112S175 Q176 L177S175-T179 WeakPolarHBondContact O-CB 3.25Å; S175-T179 PolarHBondContact O-N 3.37Å; S175-T179 PolarHBondContact O-OG1 3.23Å; Q176-T179 PolarHBondContact O-N 2.78Å; L177-T179 VanDerWaalsContact C-N 3.28Å; L177-T179 PolarHBondContact O-N 3.31Å
180A66.6Low76.8Confident56 Ų5689.8 Ų89.846%0.46345%0.449SS..Hα-helixtrans-71.3-44.5175.400000111.5Q176 L177 Y178 R182 K183Q176-A180 PolarHBondContact O-N 2.91Å; L177-A180 PolarHBondContact O-N 2.74Å; L177-A180 VanDerWaalsContact O-N 3.15Å; Y178-A180 VanDerWaalsContact C-N 3.34Å; A180-R182 VanDerWaalsContact C-N 3.31Å; A180-R182 PolarHBondContact O-N 3.04Å; A180-K183 PolarHBondContact O-N 3.2Å; A180-K183 VanDerWaalsContact O-N 3.15Å
181N60.6Low75.4Confident116 Ų11695.4 Ų95.462%0.6248%0.478SS*.Hα-helixtrans-68-26.7-178-71.9-16.4000113.6L177 K183L177-N181 PolarHBondContact O-N 3.31Å; N181-K183 PolarHBondContact O-N 3.42Å
182R59.8Low73.8Confident230 Ų230100.1 Ų100.187%0.86850%0.503SS*.THydrogen-bonded Turntrans-73.2-7174.1-93.7-172.5168.2-179.9-1.5114.9Y178 A180Y178-R182 PolarHBondContact O-N 3.12Å; A180-R182 VanDerWaalsContact C-N 3.31Å; A180-R182 PolarHBondContact O-N 3.04Å
183K49.7Very low72.1Confident157 Ų157107.8 Ų107.868%0.68354%0.54SS*.THydrogen-bonded Turntrans-97.710.5-179.5-71.1-175.3-177.7168.60114A180 N181A180-K183 PolarHBondContact O-N 3.2Å; A180-K183 VanDerWaalsContact O-N 3.15Å; N181-K183 PolarHBondContact O-N 3.42Å
184V39.6Very low70.2Confident188 Ų188110.1 Ų110.1100%1.13956%0.555SS**  trans-108.60170.3-170.20000108

Retrieved 184 of 184 residues in 407.6 ms (Link to these results)

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