A0A077ZHK7_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZHK7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 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
1M43.5Very low42.6Very low168 Ų168107.9 Ų107.983%0.82855%0.545SS*.  0-45.70-91.9176.979.200111T3 A4M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.37Å; M1-A4 PolarHBondContact O-N 2.98Å; M1-A4 VanDerWaalsContact O-N 3.12Å
2E35.3Very low42.4Very low173 Ų173103.5 Ų103.581%0.80855%0.547SS*.G310 helixtrans-59-36.5-178.8-71173.516000114.9A4 L5E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 3.27Å; E2-L5 PolarHBondContact O-N 3.25Å
3T42.6Very low41.9Very low112 Ų112107.4 Ų107.469%0.68757%0.568SS**G310 helixtrans-70.8-20.9177.952.10000114M1 L5M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.37Å; T3-L5 VanDerWaalsContact C-N 3.34Å
4A43Very low41.2Very low33 Ų33103.8 Ų103.827%0.27357%0.57SS.*G310 helixtrans-80.1-17179.600000113M1 E2M1-A4 PolarHBondContact O-N 2.98Å; M1-A4 VanDerWaalsContact O-N 3.12Å; E2-A4 VanDerWaalsContact C-N 3.29Å; E2-A4 PolarHBondContact O-N 3.27Å
5L40Very low40.7Very low61 Ų61104.7 Ų104.732%0.31958%0.579SS.*SBendtrans-88.1-17.8-177.6-63.1-178.8000113.3E2 T3 I8 D33E2-L5 PolarHBondContact O-N 3.25Å; T3-L5 VanDerWaalsContact C-N 3.34Å; L5-I8 HydrophobicContact CD2-CD1 3.9Å; L5-D33 WeakPolarHBondContact CD2-OD1 3.25Å
6Q44.9Very low41.1Very low144 Ų144103.1 Ų103.167%0.67357%0.566SS**SBendtrans-70.4-34.1-179.8-73.9-178.2-20.700112.1I8 R9Q6-I8 VanDerWaalsContact C-N 3.26Å; Q6-I8 PolarHBondContact O-N 3.06Å; Q6-R9 PolarHBondContact O-N 2.97Å
7D43Very low41.5Very low84 Ų84103.2 Ų103.245%0.44957%0.574SS.*G310 helixtrans-72-17.5-178.8-70.2-6.4000113.4R9 T100D7-R9 PolarHBondContact O-N 3.12Å; D7-T100 PolarHBondContact OD2-OG1 3.13Å
8I43.2Very low42.3Very low10 Ų10102.4 Ų102.45%0.05157%0.568CS.*G310 helixtrans-71.4-18.1179.3-57.6179000111.1L5 Q6 T29 I32 Y130L5-I8 HydrophobicContact CD2-CD1 3.9Å; Q6-I8 VanDerWaalsContact C-N 3.26Å; Q6-I8 PolarHBondContact O-N 3.06Å; I8-T29 HydrophobicContact CB-CG2 4.41Å; I8-T29 HydrophobicContact CG2-CG2 3.41Å; I8-T29 VanDerWaalsContact CG2-CG2 3.41Å; I8-I32 HydrophobicContact CD1-CG2 4.44Å; I8-Y130 WeakPolarHBondContact CA-OH 3.28Å; I8-Y130 VanDerWaalsContact CG2-OH 3.26Å; I8-Y130 WeakPolarHBondContact CG2-OH 3.33Å; I8-Y130 PolarHBondContact O-OH 2.78Å
9R45.2Very low43.8Very low204 Ų204109.4 Ų109.477%0.7759%0.585SS**G310 helixtrans-91.4-4.5-169.3-63.6-175.3179.9-164.2-2.2115.7Q6 D7 P11Q6-R9 PolarHBondContact O-N 2.97Å; D7-R9 PolarHBondContact O-N 3.12Å; R9-P11 WeakPolarHBondContact O-CD 3.05Å
10D42.7Very low46.1Very low129 Ų129105.4 Ų105.469%0.6956%0.563SS**  trans-120.381.4-177.4-166.311.4000112.6G12D10-G12 PolarHBondContact O-N 3.27Å
11P45.3Very low48.4Very low69 Ų69103.2 Ų103.245%0.44856%0.555SS.*  trans-76.589.9170.330-30.1000108.9R9R9-P11 WeakPolarHBondContact O-CD 3.05Å
12G40.2Very low50.8Low55 Ų55100.7 Ų100.757%0.56754%0.541SS*.  trans-52.7155.5-17100000117.4D10D10-G12 PolarHBondContact O-N 3.27Å
13D36.4Very low53.6Low154 Ų15499.3 Ų99.382%0.82453%0.534SS*.SBendtrans25.897.6153.1-175.6-2.5000118.1
14G31.9Very low56.2Low57 Ų5795.3 Ų95.359%0.58851%0.507SS*.SBend55.67512000000118
15T33.4Very low58.8Low117 Ų11795.4 Ų95.472%0.71850%0.503SS*.  trans153.891.1145.4430000109.2K132T15-K132 PolarHBondContact O-NZ 3.23Å
16Q46.7Very low61.5Low79 Ų7997.1 Ų97.137%0.36951%0.51SS..  trans-142.1125.1176.1-73.6-73.3800109.9K132Q16-K132 VanDerWaalsContact NE2-CD 3.33Å
17P48.3Very low64.1Low106 Ų10693.3 Ų93.369%0.68849%0.491SS*.SBendtrans-73-22.5-179.8-17.931.2000115.3
18N56.1Low66.7Low88 Ų8889.3 Ų89.347%0.47147%0.47SS..SBendtrans-10789.6177.4-78.3-22.5000110.2I20N18-I20 PolarHBondContact O-N 2.89Å
19R71.3Confident69.3Low235 Ų23589.7 Ų89.789%0.88747%0.473SS*.  trans-71.799.7171.4-83.6-174.1176-178.2-1.8109.1P21R19-P21 WeakPolarHBondContact O-CD 3.22Å
20I88.8Confident71.8Confident29 Ų2985.4 Ų85.415%0.14946%0.462CS..  trans-56.4126.3156.5-58.4164.5000106.3N18 K24 I25 F28 Y57 T128N18-I20 PolarHBondContact O-N 2.89Å; I20-K24 HydrophobicContact CG2-CB 3.55Å; I20-I25 HydrophobicContact CB-CG1 4.01Å; I20-I25 HydrophobicContact CG2-CG1 3.75Å; I20-F28 HydrophobicContact CG2-CE2 4.48Å; I20-Y57 HydrophobicContact CG1-CD1 4.04Å; I20-Y57 HydrophobicContact CG1-CE1 4.5Å; I20-Y57 HydrophobicContact CG2-CD1 4.48Å; I20-Y57 HydrophobicContact CG2-CE1 4.4Å; I20-T128 HydrophobicContact CD1-CG2 3.48Å; I20-T128 VanDerWaalsContact CD1-CG2 3.48Å; I20-T128 WeakPolarHBondContact CD1-O 3.37Å; I20-T128 HydrophobicContact CG1-CG2 4.34Å
21P93.7Very high74.5Confident60 Ų6080.1 Ų80.139%0.3943%0.433SS..  trans-56.1146175-25.134.4000111.1R19 E23 K24 I25R19-P21 WeakPolarHBondContact O-CD 3.22Å; P21-E23 PolarHBondContact O-N 3.48Å; P21-K24 HydrophobicContact CB-CG 4.36Å; P21-K24 HydrophobicContact CG-CG 4.35Å; P21-K24 WeakPolarHBondContact O-CA 3.4Å; P21-K24 WeakPolarHBondContact O-CB 3.35Å; P21-K24 PolarHBondContact O-N 3.31Å; P21-I25 PolarHBondContact O-N 3.19Å
22Q93.9Very high77Confident116 Ų11676.8 Ų76.854%0.54241%0.412SS..Hα-helixtrans-54.8-39.5-179.2-177.559.92900112.4K24 I25 E26Q22-K24 VanDerWaalsContact C-N 3.28Å; Q22-K24 PolarHBondContact O-N 3.12Å; Q22-I25 WeakPolarHBondContact O-CB 3.28Å; Q22-I25 PolarHBondContact O-N 3.18Å; Q22-E26 PolarHBondContact NE2-OE1 2.7Å; Q22-E26 VanDerWaalsContact NE2-OE1 3.15Å; Q22-E26 WeakPolarHBondContact O-CG 3.42Å; Q22-E26 PolarHBondContact O-N 3.05Å
23E95.9Very high79.8Confident143 Ų14376 Ų7667%0.66840%0.395SS*.Hα-helixtrans-56-40.9173.9-177.5-178.8-179.400112.5P21 E26 E27P21-E23 PolarHBondContact O-N 3.48Å; E23-E26 PolarHBondContact O-N 3.34Å; E23-E27 WeakPolarHBondContact O-CB 3Å; E23-E27 PolarHBondContact O-N 2.93Å
24K96.6Very high82.7Confident28 Ų2873 Ų7312%0.12238%0.375CS..Hα-helixtrans-75.4-32.3178.5-65.1-66.5164.7-171.80112.6I20 P21 Q22 E26 E27 F28 E53 Y57I20-K24 HydrophobicContact CG2-CB 3.55Å; P21-K24 HydrophobicContact CB-CG 4.36Å; P21-K24 HydrophobicContact CG-CG 4.35Å; P21-K24 WeakPolarHBondContact O-CA 3.4Å; P21-K24 WeakPolarHBondContact O-CB 3.35Å; P21-K24 PolarHBondContact O-N 3.31Å; Q22-K24 VanDerWaalsContact C-N 3.28Å; Q22-K24 PolarHBondContact O-N 3.12Å; K24-E26 VanDerWaalsContact C-N 3.3Å; K24-E27 VanDerWaalsContact CD-OE2 3.25Å; K24-E27 WeakPolarHBondContact CD-OE2 3.25Å; K24-E27 WeakPolarHBondContact CE-OE2 3.43Å; K24-E27 IonicContact NZ-OE2 3.7Å; K24-E27 PolarHBondContact NZ-OE2 3.33Å; K24-E27 PolarHBondContact O-N 2.91Å; K24-F28 VanDerWaalsContact O-CB 3.27Å; K24-F28 WeakPolarHBondContact O-CB 3.39Å; K24-F28 WeakPolarHBondContact O-CG 3.23Å; K24-F28 PolarHBondContact O-N 3.33Å; K24-E53 WeakPolarHBondContact CE-OE1 3.47Å; K24-E53 IonicContact NZ-OE1 2.74Å; K24-E53 PolarHBondContact NZ-OE1 2.84Å; K24-E53 IonicContact NZ-OE2 3.09Å; K24-E53 PolarHBondContact NZ-OE2 3.06Å; K24-Y57 HydrophobicContact CD-CE2 4.38Å; K24-Y57 HydrophobicContact CG-CE2 4.22Å
25I97Very high85.9Confident35 Ų3570.2 Ų70.218%0.17935%0.347CS..Hα-helixtrans-60-45.5170.1-64.7175.5000109.8I20 P21 Q22 T29 L129I20-I25 HydrophobicContact CB-CG1 4.01Å; I20-I25 HydrophobicContact CG2-CG1 3.75Å; P21-I25 PolarHBondContact O-N 3.19Å; Q22-I25 WeakPolarHBondContact O-CB 3.28Å; Q22-I25 PolarHBondContact O-N 3.18Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 PolarHBondContact O-N 3.18Å; I25-T29 PolarHBondContact O-OG1 3.21Å; I25-L129 HydrophobicContact CB-CD2 4.38Å; I25-L129 HydrophobicContact CG1-CD2 4.38Å; I25-L129 HydrophobicContact CG2-CD2 4.11Å
26E97.5Very high89Confident98 Ų9865.6 Ų65.646%0.45832%0.318SS..Hα-helixtrans-65.8-45178.3-71.8170.8-161.700112Q22 E23 K24 T29 Q30Q22-E26 PolarHBondContact NE2-OE1 2.7Å; Q22-E26 VanDerWaalsContact NE2-OE1 3.15Å; Q22-E26 WeakPolarHBondContact O-CG 3.42Å; Q22-E26 PolarHBondContact O-N 3.05Å; E23-E26 PolarHBondContact O-N 3.34Å; K24-E26 VanDerWaalsContact C-N 3.3Å; E26-T29 PolarHBondContact O-N 3.44Å; E26-Q30 WeakPolarHBondContact O-CB 3.38Å; E26-Q30 VanDerWaalsContact O-CG 3.26Å; E26-Q30 WeakPolarHBondContact O-CG 3.5Å; E26-Q30 PolarHBondContact O-N 3.21Å
27E98.4Very high91.4Very high63 Ų6368.2 Ų68.229%0.29433%0.328SS..Hα-helixtrans-60.9-47.5176.6-171.5-176.9-169.500112E23 K24 T29 Q30 M31 F50E23-E27 WeakPolarHBondContact O-CB 3Å; E23-E27 PolarHBondContact O-N 2.93Å; K24-E27 VanDerWaalsContact CD-OE2 3.25Å; K24-E27 WeakPolarHBondContact CD-OE2 3.25Å; K24-E27 WeakPolarHBondContact CE-OE2 3.43Å; K24-E27 IonicContact NZ-OE2 3.7Å; K24-E27 PolarHBondContact NZ-OE2 3.33Å; K24-E27 PolarHBondContact O-N 2.91Å; E27-T29 VanDerWaalsContact C-N 3.35Å; E27-T29 PolarHBondContact O-N 2.82Å; E27-Q30 PolarHBondContact O-N 3.45Å; E27-M31 PolarHBondContact O-N 3.27Å; E27-F50 HydrophobicContact CG-CD2 4.43Å; E27-F50 HydrophobicContact CG-CE2 4.11Å
28F98.5Very high93.7Very high0 Ų063.3 Ų63.30%030%0.296CS..Hα-helixtrans-65.6-38.6178.9-69.7-6.9000112.2I20 K24 M31 I32 F50 L54 Y57 L125 T128 L129I20-F28 HydrophobicContact CG2-CE2 4.48Å; K24-F28 VanDerWaalsContact O-CB 3.27Å; K24-F28 WeakPolarHBondContact O-CB 3.39Å; K24-F28 WeakPolarHBondContact O-CG 3.23Å; K24-F28 PolarHBondContact O-N 3.33Å; F28-M31 PolarHBondContact O-N 3.02Å; F28-I32 WeakPolarHBondContact O-CG1 3.32Å; F28-I32 PolarHBondContact O-N 3.38Å; F28-F50 AromaticContact CD1-CE2 3.73Å; F28-F50 HydrophobicContact CD1-CE2 3.73Å; F28-F50 AromaticContact CD1-CZ 3.79Å; F28-F50 HydrophobicContact CD1-CZ 3.79Å; F28-F50 AromaticContact CE1-CE2 3.98Å; F28-F50 HydrophobicContact CE1-CE2 3.98Å; F28-F50 HydrophobicContact CE1-CZ 4.14Å; F28-L54 HydrophobicContact CD2-CD1 4.34Å; F28-L54 HydrophobicContact CE1-CB 4.34Å; F28-L54 HydrophobicContact CE1-CD1 4.28Å; F28-L54 HydrophobicContact CE2-CD1 3.97Å; F28-L54 HydrophobicContact CZ-CB 4.33Å; F28-L54 HydrophobicContact CZ-CD1 3.93Å; F28-Y57 HydrophobicContact CE2-CD2 4.11Å; F28-Y57 HydrophobicContact CE2-CG 4.22Å; F28-Y57 AromaticContact CZ-CD2 3.74Å; F28-Y57 HydrophobicContact CZ-CD2 3.74Å; F28-Y57 HydrophobicContact CZ-CE2 4.33Å; F28-Y57 HydrophobicContact CZ-CG 4.29Å; F28-L125 HydrophobicContact CB-CD2 3.54Å; F28-L125 HydrophobicContact CD1-CD2 3.83Å; F28-L125 HydrophobicContact CD2-CD2 4.19Å; F28-L125 HydrophobicContact CG-CD2 3.58Å; F28-T128 HydrophobicContact CD2-CG2 4.12Å; F28-T128 HydrophobicContact CE2-CG2 3.8Å; F28-L129 HydrophobicContact CB-CD1 4.06Å; F28-L129 HydrophobicContact CB-CD2 4.09Å; F28-L129 HydrophobicContact CB-CG 4.25Å; F28-L129 HydrophobicContact CD2-CD2 4.36Å
29T97.7Very high95.6Very high18 Ų1866.2 Ų66.211%0.1130%0.3CS..Hα-helixtrans-61.3-47.4173.4-66.40000111.3I8 I25 E26 E27 M31 I32 D33I8-T29 HydrophobicContact CB-CG2 4.41Å; I8-T29 HydrophobicContact CG2-CG2 3.41Å; I8-T29 VanDerWaalsContact CG2-CG2 3.41Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 PolarHBondContact O-N 3.18Å; I25-T29 PolarHBondContact O-OG1 3.21Å; E26-T29 PolarHBondContact O-N 3.44Å; E27-T29 VanDerWaalsContact C-N 3.35Å; E27-T29 PolarHBondContact O-N 2.82Å; T29-M31 VanDerWaalsContact C-N 3.31Å; T29-M31 PolarHBondContact O-N 3.11Å; T29-I32 WeakPolarHBondContact O-CB 3.49Å; T29-I32 PolarHBondContact O-N 2.93Å; T29-D33 PolarHBondContact O-N 3.04Å; T29-D33 VanDerWaalsContact O-N 3.14Å
30Q98.3Very high96.7Very high114 Ų11459 Ų5953%0.53328%0.282SS..Hα-helixtrans-63.4-37.4176.6-71.5173.631.200112E26 E27 D33 Q34E26-Q30 WeakPolarHBondContact O-CB 3.38Å; E26-Q30 VanDerWaalsContact O-CG 3.26Å; E26-Q30 WeakPolarHBondContact O-CG 3.5Å; E26-Q30 PolarHBondContact O-N 3.21Å; E27-Q30 PolarHBondContact O-N 3.45Å; Q30-D33 WeakPolarHBondContact O-CB 3.29Å; Q30-D33 PolarHBondContact O-N 3.01Å; Q30-Q34 WeakPolarHBondContact O-CG 3.35Å; Q30-Q34 PolarHBondContact O-N 3.47Å; Q30-Q34 VanDerWaalsContact O-N 3.15Å
31M98.7Very high96.8Very high18 Ų1859.2 Ų59.29%0.08929%0.289CS..Hα-helixtrans-63.4-41.1174.8-174.462.264.800111.7E27 F28 T29 D33 Q34 L35 P45 L46 F50 L125E27-M31 PolarHBondContact O-N 3.27Å; F28-M31 PolarHBondContact O-N 3.02Å; T29-M31 VanDerWaalsContact C-N 3.31Å; T29-M31 PolarHBondContact O-N 3.11Å; M31-D33 VanDerWaalsContact C-N 3.3Å; M31-D33 PolarHBondContact O-N 3.03Å; M31-Q34 PolarHBondContact O-N 3.2Å; M31-L35 HydrophobicContact CG-CD1 3.87Å; M31-L35 HydrophobicContact CG-CG 4.12Å; M31-L35 WeakPolarHBondContact O-CB 3.44Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 2.76Å; M31-L35 HydrophobicContact SD-CG 4.29Å; M31-P45 HydrophobicContact SD-CB 3.96Å; M31-P45 HydrophobicContact SD-CG 3.57Å; M31-P45 VanDerWaalsContact SD-CG 3.57Å; M31-L46 HydrophobicContact CG-CD2 4.31Å; M31-L46 HydrophobicContact SD-CD2 3.9Å; M31-F50 HydrophobicContact CB-CE1 4.2Å; M31-F50 HydrophobicContact CB-CE2 3.84Å; M31-F50 HydrophobicContact CB-CZ 3.46Å; M31-F50 VanDerWaalsContact CB-CZ 3.46Å; M31-F50 HydrophobicContact CE-CB 4.48Å; M31-F50 HydrophobicContact CE-CD1 3.82Å; M31-F50 HydrophobicContact CE-CD2 3.65Å; M31-F50 HydrophobicContact CE-CE1 3.94Å; M31-F50 HydrophobicContact CE-CE2 3.73Å; M31-F50 HydrophobicContact CE-CG 3.69Å; M31-F50 HydrophobicContact CE-CZ 3.89Å; M31-F50 HydrophobicContact CG-CD1 4.34Å; M31-F50 HydrophobicContact CG-CE1 3.54Å; M31-F50 HydrophobicContact CG-CE2 4.03Å; M31-F50 HydrophobicContact CG-CZ 3.35Å; M31-F50 HydrophobicContact SD-CE1 4.31Å; M31-F50 HydrophobicContact SD-CZ 4.4Å; M31-L125 HydrophobicContact CB-CD1 4.39Å; M31-L125 HydrophobicContact CG-CD1 4.02Å
32I98.6Very high96.9Very high0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-57.1-45.7173.9-70.7167.5000110.3I8 F28 T29 Q34 L35 I36 L122 L125 F126 L129I8-I32 HydrophobicContact CD1-CG2 4.44Å; F28-I32 WeakPolarHBondContact O-CG1 3.32Å; F28-I32 PolarHBondContact O-N 3.38Å; T29-I32 WeakPolarHBondContact O-CB 3.49Å; T29-I32 PolarHBondContact O-N 2.93Å; I32-Q34 PolarHBondContact O-N 3.46Å; I32-L35 PolarHBondContact O-N 3.1Å; I32-I36 HydrophobicContact CG2-CD1 3.64Å; I32-I36 HydrophobicContact CG2-CG1 4.21Å; I32-I36 VanDerWaalsContact O-CG1 3.27Å; I32-I36 WeakPolarHBondContact O-CG1 3.29Å; I32-I36 PolarHBondContact O-N 3.41Å; I32-L122 HydrophobicContact CG1-CD1 4.08Å; I32-L122 HydrophobicContact CG2-CD1 4.28Å; I32-L125 HydrophobicContact CD1-CB 4.1Å; I32-L125 HydrophobicContact CG1-CB 4.04Å; I32-L125 HydrophobicContact CG1-CD1 4.03Å; I32-F126 HydrophobicContact CD1-CD1 3.95Å; I32-F126 HydrophobicContact CD1-CE1 3.72Å; I32-F126 HydrophobicContact CD1-CZ 4.4Å; I32-F126 HydrophobicContact CG1-CE1 4.47Å; I32-F126 HydrophobicContact CG2-CE1 4.2Å; I32-F126 HydrophobicContact CG2-CZ 4.06Å; I32-L129 HydrophobicContact CD1-CD1 3.49Å; I32-L129 VanDerWaalsContact CD1-CD1 3.49Å
33D98Very high96.9Very high39 Ų3958.5 Ų58.521%0.20930%0.303CS..Hα-helixtrans-60.4-32.9179.4-70.3-9.7000113.1L5 T29 Q30 M31 K37L5-D33 WeakPolarHBondContact CD2-OD1 3.25Å; T29-D33 PolarHBondContact O-N 3.04Å; T29-D33 VanDerWaalsContact O-N 3.14Å; Q30-D33 WeakPolarHBondContact O-CB 3.29Å; Q30-D33 PolarHBondContact O-N 3.01Å; M31-D33 VanDerWaalsContact C-N 3.3Å; M31-D33 PolarHBondContact O-N 3.03Å; D33-K37 VanDerWaalsContact O-CE 3.28Å; D33-K37 WeakPolarHBondContact O-CE 3.09Å
34Q98.5Very high97Very high89 Ų8952.8 Ų52.842%0.41628%0.279SS..Hα-helixtrans-77.8-45.9174.7-64.5177.25.500111.2Q30 M31 I32 I36 K37 P45Q30-Q34 WeakPolarHBondContact O-CG 3.35Å; Q30-Q34 PolarHBondContact O-N 3.47Å; Q30-Q34 VanDerWaalsContact O-N 3.15Å; M31-Q34 PolarHBondContact O-N 3.2Å; I32-Q34 PolarHBondContact O-N 3.46Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.38Å; Q34-K37 WeakPolarHBondContact O-CB 3.3Å; Q34-K37 PolarHBondContact O-N 2.61Å; Q34-P45 HydrophobicContact CB-CB 3.93Å; Q34-P45 HydrophobicContact CB-CG 3.73Å
35L98.5Very high97.1Very high0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-59.3-38179.6-83.3175.9000112.6M31 I32 K37 V38 P45 L46 Y85 E118 T121 L122 L125M31-L35 HydrophobicContact CG-CD1 3.87Å; M31-L35 HydrophobicContact CG-CG 4.12Å; M31-L35 WeakPolarHBondContact O-CB 3.44Å; M31-L35 WeakPolarHBondContact O-CG 3.4Å; M31-L35 PolarHBondContact O-N 2.76Å; M31-L35 HydrophobicContact SD-CG 4.29Å; I32-L35 PolarHBondContact O-N 3.1Å; L35-K37 PolarHBondContact O-N 3.35Å; L35-K37 VanDerWaalsContact O-N 3.08Å; L35-V38 HydrophobicContact CD2-CG2 4.41Å; L35-V38 WeakPolarHBondContact O-CB 3.32Å; L35-V38 PolarHBondContact O-N 3.09Å; L35-V38 VanDerWaalsContact O-N 3.08Å; L35-P45 HydrophobicContact CD2-CG 4.09Å; L35-P45 HydrophobicContact CG-CG 4.2Å; L35-L46 HydrophobicContact CD1-CD2 4.27Å; L35-L46 HydrophobicContact CD2-CD1 4.27Å; L35-L46 HydrophobicContact CD2-CD2 4.02Å; L35-L46 HydrophobicContact CD2-CG 4.03Å; L35-L46 HydrophobicContact CG-CD2 4.42Å; L35-Y85 WeakPolarHBondContact CB-OH 3.45Å; L35-Y85 VanDerWaalsContact O-CE1 3.31Å; L35-Y85 WeakPolarHBondContact O-CE1 3.14Å; L35-Y85 PolarHBondContact O-OH 3.43Å; L35-E118 HydrophobicContact CD2-CG 4.23Å; L35-T121 HydrophobicContact CD1-CG2 4.26Å; L35-L122 HydrophobicContact CD1-CB 4.47Å; L35-L122 HydrophobicContact CD1-CD1 4.4Å; L35-L125 HydrophobicContact CD1-CD1 3.51Å
36I97.4Very high97.1Very high20 Ų2051.9 Ų51.910%0.10328%0.277CS..THydrogen-bonded Turntrans-60.9-20.9177.8-69.8168.7000112.3I32 Q34 R39 L89 W97I32-I36 HydrophobicContact CG2-CD1 3.64Å; I32-I36 HydrophobicContact CG2-CG1 4.21Å; I32-I36 VanDerWaalsContact O-CG1 3.27Å; I32-I36 WeakPolarHBondContact O-CG1 3.29Å; I32-I36 PolarHBondContact O-N 3.41Å; Q34-I36 VanDerWaalsContact C-N 3.31Å; Q34-I36 PolarHBondContact O-N 3.38Å; I36-R39 PolarHBondContact O-NH1 2.82Å; I36-R39 PolarHBondContact O-NH2 2.67Å; I36-L89 HydrophobicContact CG1-CD2 4.18Å; I36-L89 WeakPolarHBondContact O-CD1 3.23Å; I36-W97 HydrophobicContact CD1-CE3 4.19Å; I36-W97 HydrophobicContact CD1-CH2 3.68Å; I36-W97 HydrophobicContact CD1-CZ2 4.25Å; I36-W97 HydrophobicContact CD1-CZ3 3.63Å; I36-W97 HydrophobicContact CG1-CH2 3.65Å; I36-W97 HydrophobicContact CG1-CZ3 3.83Å; I36-W97 HydrophobicContact CG2-CH2 4.16Å; I36-W97 HydrophobicContact CG2-CZ2 4.39Å
37K97.3Very high97.2Very high134 Ų13450.7 Ų50.758%0.58328%0.277SS*.THydrogen-bonded Turntrans-88.1-14.9179.9-59.5169.8-173.8166.90113.3D33 Q34 L35 R39D33-K37 VanDerWaalsContact O-CE 3.28Å; D33-K37 WeakPolarHBondContact O-CE 3.09Å; Q34-K37 WeakPolarHBondContact O-CB 3.3Å; Q34-K37 PolarHBondContact O-N 2.61Å; L35-K37 PolarHBondContact O-N 3.35Å; L35-K37 VanDerWaalsContact O-N 3.08Å; K37-R39 PolarHBondContact O-N 2.99Å; K37-R39 PolarHBondContact O-NH1 3.1Å
38V97.8Very high97.2Very high2 Ų250 Ų501%0.01227%0.274CS..  trans-64.3131.3-178.6175.30000110.9L35 V40 D43 Y85 E118L35-V38 HydrophobicContact CD2-CG2 4.41Å; L35-V38 WeakPolarHBondContact O-CB 3.32Å; L35-V38 PolarHBondContact O-N 3.09Å; L35-V38 VanDerWaalsContact O-N 3.08Å; V38-V40 WeakPolarHBondContact CG1-O 3.47Å; V38-D43 HydrophobicContact CB-CB 4.44Å; V38-D43 HydrophobicContact CG1-CB 4.25Å; V38-D43 HydrophobicContact CG2-CB 4.38Å; V38-Y85 HydrophobicContact CB-CD1 4.41Å; V38-Y85 HydrophobicContact CB-CE1 3.86Å; V38-Y85 HydrophobicContact CG1-CD1 4.38Å; V38-Y85 HydrophobicContact CG1-CE1 4.27Å; V38-E118 HydrophobicContact CG1-CG 4.11Å
39R94.9Very high97.2Very high149 Ų14954.3 Ų54.356%0.56230%0.304SS*.  trans-121.6-33.1174.2-61.8-64.3174.6-92.3-1.7111.9I36 K37 D43I36-R39 PolarHBondContact O-NH1 2.82Å; I36-R39 PolarHBondContact O-NH2 2.67Å; K37-R39 PolarHBondContact O-N 2.99Å; K37-R39 PolarHBondContact O-NH1 3.1Å; R39-D43 PolarHBondContact N-OD2 2.96Å
40V94.5Very high97.2Very high83 Ų8353.8 Ų53.850%0.50330%0.3SS..SBendtrans-131.2163.1174.5-62.50000110.7V38 G42 D43V38-V40 WeakPolarHBondContact CG1-O 3.47Å; V40-G42 PolarHBondContact O-N 3.48Å; V40-G42 VanDerWaalsContact O-N 3.11Å; V40-D43 WeakPolarHBondContact CG2-OD2 3.22Å; V40-D43 PolarHBondContact N-OD2 3.17Å; V40-D43 WeakPolarHBondContact O-CB 3.36Å; V40-D43 PolarHBondContact O-N 3.48Å
41A92.1Very high97.2Very high35 Ų3548.3 Ų48.329%0.28928%0.275SS..G310 helixtrans-59.6-30-173.400000113.3D43 S44 L115A41-D43 VanDerWaalsContact C-N 3.25Å; A41-D43 PolarHBondContact O-N 3.11Å; A41-S44 VanDerWaalsContact O-CB 3.29Å; A41-S44 WeakPolarHBondContact O-CB 3.31Å; A41-S44 PolarHBondContact O-N 3.11Å; A41-L115 HydrophobicContact CB-CD2 3.82Å
42G94.4Very high97.2Very high76 Ų7649.5 Ų49.578%0.78428%0.281SS*.G310 helixtrans-69.2-17.8176.500000114.7V40 S44V40-G42 PolarHBondContact O-N 3.48Å; V40-G42 VanDerWaalsContact O-N 3.11Å; G42-S44 VanDerWaalsContact C-N 3.28Å
43D94.5Very high97.2Very high84 Ų8452.1 Ų52.145%0.44929%0.294SS..G310 helixtrans-83.6-7.5176.7-51-32.3000112.2V38 R39 V40 A41V38-D43 HydrophobicContact CB-CB 4.44Å; V38-D43 HydrophobicContact CG1-CB 4.25Å; V38-D43 HydrophobicContact CG2-CB 4.38Å; R39-D43 PolarHBondContact N-OD2 2.96Å; V40-D43 WeakPolarHBondContact CG2-OD2 3.22Å; V40-D43 PolarHBondContact N-OD2 3.17Å; V40-D43 WeakPolarHBondContact O-CB 3.36Å; V40-D43 PolarHBondContact O-N 3.48Å; A41-D43 VanDerWaalsContact C-N 3.25Å; A41-D43 PolarHBondContact O-N 3.11Å
44S97.9Very high97.2Very high23 Ų2350.3 Ų50.316%0.16128%0.284CS..  trans-67.4125.6-167.9-173.80000112.1A41 G42 L46 E118 R160A41-S44 VanDerWaalsContact O-CB 3.29Å; A41-S44 WeakPolarHBondContact O-CB 3.31Å; A41-S44 PolarHBondContact O-N 3.11Å; G42-S44 VanDerWaalsContact C-N 3.28Å; S44-L46 PolarHBondContact O-N 2.84Å; S44-E118 WeakPolarHBondContact CB-OE1 3.23Å; S44-E118 PolarHBondContact OG-OE1 3.15Å; S44-R160 PolarHBondContact OG-NH2 3.3Å
45P98.1Very high97.3Very high32 Ų3246 Ų4621%0.20826%0.264CS..  trans-79.9-4.917835-38.4000113.2M31 Q34 L35 T47M31-P45 HydrophobicContact SD-CB 3.96Å; M31-P45 HydrophobicContact SD-CG 3.57Å; M31-P45 VanDerWaalsContact SD-CG 3.57Å; Q34-P45 HydrophobicContact CB-CB 3.93Å; Q34-P45 HydrophobicContact CB-CG 3.73Å; L35-P45 HydrophobicContact CD2-CG 4.09Å; L35-P45 HydrophobicContact CG-CG 4.2Å; P45-T47 PolarHBondContact O-N 3Å
46L98.5Very high97.2Very high12 Ų1250.2 Ų50.26%0.06329%0.286CS..  trans-64.9137.8-171.7-63.1179.1000110.8M31 L35 S44 F50 V51 L117 E118 T121 F161M31-L46 HydrophobicContact CG-CD2 4.31Å; M31-L46 HydrophobicContact SD-CD2 3.9Å; L35-L46 HydrophobicContact CD1-CD2 4.27Å; L35-L46 HydrophobicContact CD2-CD1 4.27Å; L35-L46 HydrophobicContact CD2-CD2 4.02Å; L35-L46 HydrophobicContact CD2-CG 4.03Å; L35-L46 HydrophobicContact CG-CD2 4.42Å; S44-L46 PolarHBondContact O-N 2.84Å; L46-F50 HydrophobicContact CD2-CD1 4.07Å; L46-F50 HydrophobicContact CD2-CE1 4.18Å; L46-V51 HydrophobicContact CB-CG2 4.17Å; L46-V51 HydrophobicContact CD1-CG2 4.39Å; L46-V51 HydrophobicContact CD2-CG2 4.19Å; L46-V51 HydrophobicContact CG-CG2 4.49Å; L46-L117 HydrophobicContact CD1-CD1 4.42Å; L46-L117 HydrophobicContact CD1-CD2 4.18Å; L46-L117 HydrophobicContact CD1-CG 3.8Å; L46-E118 HydrophobicContact CD1-CG 4.49Å; L46-T121 HydrophobicContact CD1-CG2 4.09Å; L46-T121 HydrophobicContact CD2-CG2 3.65Å; L46-F161 HydrophobicContact CB-CE2 4.44Å; L46-F161 HydrophobicContact CB-CZ 4.15Å; L46-F161 VanDerWaalsContact O-CZ 3.29Å; L46-F161 WeakPolarHBondContact O-CZ 3.16Å
47T98.3Very high97.3Very high74 Ų7452.3 Ų52.345%0.45429%0.293SS..  trans-116.7151.6166.868.50000108.8P45 S49 F50 V51P45-T47 PolarHBondContact O-N 3Å; T47-S49 PolarHBondContact O-N 3.29Å; T47-F50 PolarHBondContact O-N 2.97Å; T47-F50 VanDerWaalsContact OG1-CB 3.3Å; T47-F50 WeakPolarHBondContact OG1-CB 3.08Å; T47-F50 PolarHBondContact OG1-N 2.85Å; T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.81Å
48E98.3Very high97.3Very high47 Ų4745.9 Ų45.922%0.2227%0.265CS..Hα-helixtrans-58.5-40.1177.9-178.9163.6-164.800111.7F50 V51 L52 F161 T162 L165E48-F50 PolarHBondContact O-N 3.35Å; E48-V51 PolarHBondContact O-N 3.34Å; E48-L52 HydrophobicContact CG-CD1 3.87Å; E48-L52 HydrophobicContact CG-CG 4.24Å; E48-L52 WeakPolarHBondContact O-CB 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.38Å; E48-L52 PolarHBondContact O-N 3.13Å; E48-F161 HydrophobicContact CB-CB 4.35Å; E48-F161 HydrophobicContact CB-CD1 3.86Å; E48-F161 HydrophobicContact CB-CE1 4.32Å; E48-F161 HydrophobicContact CB-CG 4.09Å; E48-T162 PolarHBondContact OE1-OG1 3.5Å; E48-T162 VanDerWaalsContact OE2-CG2 3.26Å; E48-T162 WeakPolarHBondContact OE2-CG2 3.43Å; E48-L165 HydrophobicContact CG-CB 4.28Å; E48-L165 HydrophobicContact CG-CD2 4.25Å
49S98.3Very high97.4Very high92 Ų9247.6 Ų47.664%0.64327%0.273SS*.Hα-helixtrans-59.4-47.9176.8-170.30000112.2T47 L52 E53T47-S49 PolarHBondContact O-N 3.29Å; S49-L52 PolarHBondContact O-N 2.85Å; S49-E53 PolarHBondContact O-N 3.05Å; S49-E53 VanDerWaalsContact O-N 3.15Å
50F98.6Very high97.5Very high6 Ų642.3 Ų42.33%0.02626%0.261CS..Hα-helixtrans-60.6-47.7178.4173.3-88.8000111.4E27 F28 M31 L46 T47 E48 L52 E53 L54 T121 L125E27-F50 HydrophobicContact CG-CD2 4.43Å; E27-F50 HydrophobicContact CG-CE2 4.11Å; F28-F50 AromaticContact CD1-CE2 3.73Å; F28-F50 HydrophobicContact CD1-CE2 3.73Å; F28-F50 AromaticContact CD1-CZ 3.79Å; F28-F50 HydrophobicContact CD1-CZ 3.79Å; F28-F50 AromaticContact CE1-CE2 3.98Å; F28-F50 HydrophobicContact CE1-CE2 3.98Å; F28-F50 HydrophobicContact CE1-CZ 4.14Å; M31-F50 HydrophobicContact CB-CE1 4.2Å; M31-F50 HydrophobicContact CB-CE2 3.84Å; M31-F50 HydrophobicContact CB-CZ 3.46Å; M31-F50 VanDerWaalsContact CB-CZ 3.46Å; M31-F50 HydrophobicContact CE-CB 4.48Å; M31-F50 HydrophobicContact CE-CD1 3.82Å; M31-F50 HydrophobicContact CE-CD2 3.65Å; M31-F50 HydrophobicContact CE-CE1 3.94Å; M31-F50 HydrophobicContact CE-CE2 3.73Å; M31-F50 HydrophobicContact CE-CG 3.69Å; M31-F50 HydrophobicContact CE-CZ 3.89Å; M31-F50 HydrophobicContact CG-CD1 4.34Å; M31-F50 HydrophobicContact CG-CE1 3.54Å; M31-F50 HydrophobicContact CG-CE2 4.03Å; M31-F50 HydrophobicContact CG-CZ 3.35Å; M31-F50 HydrophobicContact SD-CE1 4.31Å; M31-F50 HydrophobicContact SD-CZ 4.4Å; L46-F50 HydrophobicContact CD2-CD1 4.07Å; L46-F50 HydrophobicContact CD2-CE1 4.18Å; T47-F50 PolarHBondContact O-N 2.97Å; T47-F50 VanDerWaalsContact OG1-CB 3.3Å; T47-F50 WeakPolarHBondContact OG1-CB 3.08Å; T47-F50 PolarHBondContact OG1-N 2.85Å; E48-F50 PolarHBondContact O-N 3.35Å; F50-L52 PolarHBondContact O-N 2.68Å; F50-E53 PolarHBondContact O-N 2.55Å; F50-L54 HydrophobicContact CE1-CB 4.45Å; F50-L54 HydrophobicContact CE1-CD2 4.29Å; F50-L54 PolarHBondContact O-N 3.34Å; F50-T121 HydrophobicContact CE1-CG2 4.37Å; F50-L125 HydrophobicContact CE1-CD2 4.48Å; F50-L125 HydrophobicContact CZ-CD1 4.49Å; F50-L125 HydrophobicContact CZ-CD2 3.94Å
51V98.8Very high97.6Very high0 Ų039 Ų390%024%0.242CC..Hα-helixtrans-64.5-44.7-177.6-178.30000110L46 T47 E48 E53 L54 L55 L165 F169L46-V51 HydrophobicContact CB-CG2 4.17Å; L46-V51 HydrophobicContact CD1-CG2 4.39Å; L46-V51 HydrophobicContact CD2-CG2 4.19Å; L46-V51 HydrophobicContact CG-CG2 4.49Å; T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.81Å; E48-V51 PolarHBondContact O-N 3.34Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 3.33Å; V51-L54 WeakPolarHBondContact O-CB 3.19Å; V51-L54 PolarHBondContact O-N 3.03Å; V51-L55 HydrophobicContact CG1-CG 4.32Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.27Å; V51-L55 PolarHBondContact O-N 2.99Å; V51-L165 HydrophobicContact CB-CD1 4.13Å; V51-L165 HydrophobicContact CB-CD2 4.43Å; V51-L165 HydrophobicContact CG1-CD1 3.76Å; V51-L165 HydrophobicContact CG1-CD2 4.37Å; V51-F169 HydrophobicContact CG1-CE1 4.42Å; V51-F169 HydrophobicContact CG1-CE2 3.83Å; V51-F169 HydrophobicContact CG1-CZ 3.5Å; V51-F169 VanDerWaalsContact CG1-CZ 3.5Å
52L98.6Very high98Very high42 Ų4237.3 Ų37.322%0.2223%0.228CC..Hα-helixtrans-55.9-43177.9-73.9172000112.6E48 S49 F50 L55 D56 L165 R168E48-L52 HydrophobicContact CG-CD1 3.87Å; E48-L52 HydrophobicContact CG-CG 4.24Å; E48-L52 WeakPolarHBondContact O-CB 3.3Å; E48-L52 WeakPolarHBondContact O-CG 3.38Å; E48-L52 PolarHBondContact O-N 3.13Å; S49-L52 PolarHBondContact O-N 2.85Å; F50-L52 PolarHBondContact O-N 2.68Å; L52-L55 PolarHBondContact O-N 2.87Å; L52-D56 PolarHBondContact O-N 3.18Å; L52-L165 HydrophobicContact CD2-CD1 3.76Å; L52-L165 HydrophobicContact CG-CD1 4.04Å; L52-R168 HydrophobicContact CD2-CB 3.96Å; L52-R168 HydrophobicContact CD2-CG 3.57Å
53E98.1Very high98.1Very high56 Ų5637.1 Ų37.126%0.26221%0.208SC..Hα-helixtrans-68.6-44.2177.5-177.5171.8-146.400112K24 S49 F50 V51 L55 D56 Y57K24-E53 WeakPolarHBondContact CE-OE1 3.47Å; K24-E53 IonicContact NZ-OE1 2.74Å; K24-E53 PolarHBondContact NZ-OE1 2.84Å; K24-E53 IonicContact NZ-OE2 3.09Å; K24-E53 PolarHBondContact NZ-OE2 3.06Å; S49-E53 PolarHBondContact O-N 3.05Å; S49-E53 VanDerWaalsContact O-N 3.15Å; F50-E53 PolarHBondContact O-N 2.55Å; V51-E53 VanDerWaalsContact C-N 3.28Å; V51-E53 PolarHBondContact O-N 3.33Å; E53-L55 PolarHBondContact O-N 3.46Å; E53-D56 WeakPolarHBondContact O-CB 3.21Å; E53-D56 PolarHBondContact O-N 3.3Å; E53-D56 VanDerWaalsContact O-N 3.13Å; E53-Y57 HydrophobicContact CG-CD2 4.28Å; E53-Y57 HydrophobicContact CG-CE2 3.96Å; E53-Y57 WeakPolarHBondContact O-CD2 3.21Å; E53-Y57 PolarHBondContact O-N 3.22Å
54L98.6Very high98.2Very high0 Ų037.3 Ų37.30%021%0.21CC..Hα-helixtrans-55.4-41.4173.3171.566.3000111.6F28 F50 V51 D56 Y57 A58 T121 L124 L125 T128F28-L54 HydrophobicContact CD2-CD1 4.34Å; F28-L54 HydrophobicContact CE1-CB 4.34Å; F28-L54 HydrophobicContact CE1-CD1 4.28Å; F28-L54 HydrophobicContact CE2-CD1 3.97Å; F28-L54 HydrophobicContact CZ-CB 4.33Å; F28-L54 HydrophobicContact CZ-CD1 3.93Å; F50-L54 HydrophobicContact CE1-CB 4.45Å; F50-L54 HydrophobicContact CE1-CD2 4.29Å; F50-L54 PolarHBondContact O-N 3.34Å; V51-L54 WeakPolarHBondContact O-CB 3.19Å; V51-L54 PolarHBondContact O-N 3.03Å; L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 3.2Å; L54-Y57 PolarHBondContact O-N 3.35Å; L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.47Å; L54-A58 PolarHBondContact O-N 2.93Å; L54-T121 HydrophobicContact CD2-CG2 3.65Å; L54-L124 HydrophobicContact CD2-CB 4.26Å; L54-L125 HydrophobicContact CD1-CD2 3.65Å; L54-L125 HydrophobicContact CD1-CG 4.05Å; L54-L125 HydrophobicContact CD2-CD1 4.47Å; L54-L125 HydrophobicContact CD2-CD2 4.01Å; L54-L125 HydrophobicContact CD2-CG 3.73Å; L54-L125 HydrophobicContact CG-CD2 4.41Å; L54-T128 HydrophobicContact CD1-CG2 4.49Å
55L98.8Very high98.2Very high0 Ų037.4 Ų37.40%021%0.208CC..Hα-helixtrans-60.4-36.1-180-66.1-174.9000112.1V51 L52 E53 A58 E59 L124 L165 R168 F169 T172V51-L55 HydrophobicContact CG1-CG 4.32Å; V51-L55 VanDerWaalsContact O-CG 3.28Å; V51-L55 WeakPolarHBondContact O-CG 3.27Å; V51-L55 PolarHBondContact O-N 2.99Å; L52-L55 PolarHBondContact O-N 2.87Å; E53-L55 PolarHBondContact O-N 3.46Å; L55-A58 PolarHBondContact O-N 3.15Å; L55-E59 VanDerWaalsContact O-CB 3.31Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.46Å; L55-E59 PolarHBondContact O-N 3.35Å; L55-L124 HydrophobicContact CD2-CD1 3.6Å; L55-L165 HydrophobicContact CD1-CD1 4.18Å; L55-R168 HydrophobicContact CD1-CB 3.73Å; L55-F169 HydrophobicContact CD1-CD1 4.25Å; L55-F169 HydrophobicContact CD1-CD2 4.44Å; L55-F169 HydrophobicContact CD1-CE1 4.43Å; L55-F169 HydrophobicContact CD1-CG 4.25Å; L55-F169 HydrophobicContact CD2-CD1 3.86Å; L55-F169 HydrophobicContact CD2-CE1 3.66Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å; L55-T172 HydrophobicContact CD2-CG2 4.06Å
56D98.1Very high98.2Very high87 Ų8739.4 Ų39.447%0.46522%0.222SC..Hα-helixtrans-63.3-45.3176.8-65.1-29000111.4L52 E53 L54 A60 R168L52-D56 PolarHBondContact O-N 3.18Å; E53-D56 WeakPolarHBondContact O-CB 3.21Å; E53-D56 PolarHBondContact O-N 3.3Å; E53-D56 VanDerWaalsContact O-N 3.13Å; L54-D56 VanDerWaalsContact C-N 3.27Å; L54-D56 PolarHBondContact O-N 3.2Å; D56-A60 PolarHBondContact O-N 3.37Å; D56-R168 IonicContact OD1-CZ 2.71Å; D56-R168 IonicContact OD1-NH1 2.72Å; D56-R168 IonicContact OD1-NH2 2.8Å; D56-R168 PolarHBondContact OD1-NH2 2.78Å
57Y98.3Very high98.2Very high64 Ų6439.2 Ų39.225%0.25122%0.222SC..Hα-helixtrans-68.6-40.5176.3-73.1-77.7000112.6I20 K24 F28 E53 L54 A60 S61I20-Y57 HydrophobicContact CG1-CD1 4.04Å; I20-Y57 HydrophobicContact CG1-CE1 4.5Å; I20-Y57 HydrophobicContact CG2-CD1 4.48Å; I20-Y57 HydrophobicContact CG2-CE1 4.4Å; K24-Y57 HydrophobicContact CD-CE2 4.38Å; K24-Y57 HydrophobicContact CG-CE2 4.22Å; F28-Y57 HydrophobicContact CE2-CD2 4.11Å; F28-Y57 HydrophobicContact CE2-CG 4.22Å; F28-Y57 AromaticContact CZ-CD2 3.74Å; F28-Y57 HydrophobicContact CZ-CD2 3.74Å; F28-Y57 HydrophobicContact CZ-CE2 4.33Å; F28-Y57 HydrophobicContact CZ-CG 4.29Å; E53-Y57 HydrophobicContact CG-CD2 4.28Å; E53-Y57 HydrophobicContact CG-CE2 3.96Å; E53-Y57 WeakPolarHBondContact O-CD2 3.21Å; E53-Y57 PolarHBondContact O-N 3.22Å; L54-Y57 PolarHBondContact O-N 3.35Å; Y57-A60 PolarHBondContact O-N 2.88Å; Y57-S61 PolarHBondContact O-N 2.89Å
58A98.4Very high98.3Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-67.1-40.2-179.800000111.4L54 L55 A60 S61 L62 L124 T128L54-A58 VanDerWaalsContact O-CB 3.28Å; L54-A58 WeakPolarHBondContact O-CB 3.47Å; L54-A58 PolarHBondContact O-N 2.93Å; L55-A58 PolarHBondContact O-N 3.15Å; A58-A60 PolarHBondContact O-N 2.92Å; A58-S61 PolarHBondContact O-N 2.98Å; A58-L62 WeakPolarHBondContact O-CB 3.18Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 2.74Å; A58-L124 HydrophobicContact CB-CB 4.05Å; A58-L124 HydrophobicContact CB-CD2 3.93Å; A58-L124 HydrophobicContact CB-CG 4.39Å; A58-T128 WeakPolarHBondContact CA-OG1 3.46Å; A58-T128 WeakPolarHBondContact CB-OG1 3.05Å
59E98.6Very high98.3Very high37 Ų3733.9 Ų33.917%0.17319%0.192CC..Hα-helixtrans-58.6-46.3173.8-78.4176.5-159.400111.5L55 S61 L62 L63 R168 T172 C175L55-E59 VanDerWaalsContact O-CB 3.31Å; L55-E59 WeakPolarHBondContact O-CB 3.38Å; L55-E59 WeakPolarHBondContact O-CG 3.46Å; L55-E59 PolarHBondContact O-N 3.35Å; E59-S61 PolarHBondContact O-N 3.17Å; E59-L62 PolarHBondContact O-N 3.49Å; E59-L63 WeakPolarHBondContact O-CB 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.27Å; E59-R168 IonicContact OE1-NH2 3.36Å; E59-T172 HydrophobicContact CG-CG2 3.91Å; E59-T172 WeakPolarHBondContact OE1-CA 3.36Å; E59-T172 PolarHBondContact OE1-N 2.72Å; E59-T172 PolarHBondContact OE1-OG1 3.3Å; E59-C175 HydrophobicContact CG-CB 4.43Å
60A97.4Very high98.3Very high38 Ų3833.3 Ų33.331%0.31418%0.181SC..Hα-helixtrans-61.2-43.1176.400000112.2D56 Y57 A58 D64D56-A60 PolarHBondContact O-N 3.37Å; Y57-A60 PolarHBondContact O-N 2.88Å; A58-A60 PolarHBondContact O-N 2.92Å; A60-D64 PolarHBondContact O-N 3.11Å
61S97.9Very high98.3Very high13 Ų1333.3 Ų33.39%0.09118%0.182CC..Hα-helixtrans-65.6-39.3177-176.60000112.8Y57 A58 E59 K127Y57-S61 PolarHBondContact O-N 2.89Å; A58-S61 PolarHBondContact O-N 2.98Å; E59-S61 PolarHBondContact O-N 3.17Å; S61-K127 WeakPolarHBondContact O-CE 3.47Å; S61-K127 VanDerWaalsContact OG-CE 3.26Å; S61-K127 WeakPolarHBondContact OG-CE 3.44Å; S61-K127 PolarHBondContact OG-O 3.26Å
62L98.6Very high98.2Very high0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-71.4-35.8178.1-72.6171.7000112.7A58 E59 D64 D65 L124 K127 I136 T172 C175 L176 R208A58-L62 WeakPolarHBondContact O-CB 3.18Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 2.74Å; E59-L62 PolarHBondContact O-N 3.49Å; L62-D64 VanDerWaalsContact C-N 3.32Å; L62-D65 PolarHBondContact O-N 3.46Å; L62-L124 HydrophobicContact CD1-CD2 3.99Å; L62-K127 HydrophobicContact CD2-CD 4.29Å; L62-K127 HydrophobicContact CD2-CG 3.85Å; L62-K127 HydrophobicContact CG-CG 4.33Å; L62-I136 HydrophobicContact CD2-CD1 4.09Å; L62-I136 HydrophobicContact CD2-CG1 3.84Å; L62-T172 HydrophobicContact CD1-CG2 3.99Å; L62-C175 HydrophobicContact CB-CB 4.21Å; L62-C175 WeakPolarHBondContact CB-O 3.34Å; L62-C175 HydrophobicContact CD1-CB 4.41Å; L62-L176 HydrophobicContact CD1-CD2 3.89Å; L62-L176 HydrophobicContact CD1-CG 4.47Å; L62-L176 HydrophobicContact CD2-CD2 3.87Å; L62-R208 VanDerWaalsContact O-CZ 3.31Å; L62-R208 PolarHBondContact O-NH1 3.34Å; L62-R208 PolarHBondContact O-NH2 3.39Å
63L98.1Very high98.2Very high72 Ų7238.8 Ų38.838%0.37721%0.206SC..Hα-helixtrans-75-20.9178.1-70.4172.4000113E59 D65 C175 R208E59-L63 WeakPolarHBondContact O-CB 3.22Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 3.27Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-C175 HydrophobicContact CD2-CB 4.06Å; L63-C175 HydrophobicContact CG-CB 4.1Å; L63-R208 HydrophobicContact CD2-CB 3.73Å; L63-R208 WeakPolarHBondContact CD2-O 3.46Å
64D96.8Very high98.2Very high89 Ų8938.8 Ų38.848%0.47621%0.21SC..Hα-helixtrans-69.6-30171.9-165.359.5000112.2A60 L62A60-D64 PolarHBondContact O-N 3.11Å; L62-D64 VanDerWaalsContact C-N 3.32Å
65D97.7Very high98.2Very high24 Ų2439 Ų3913%0.12821%0.211CC..SBendtrans-64.3154.2171.6-73.1-13.1000111.2L62 L63 I69 K127 P177 R208L62-D65 PolarHBondContact O-N 3.46Å; L63-D65 VanDerWaalsContact C-N 3.32Å; D65-I69 HydrophobicContact CB-CG1 4.38Å; D65-K127 IonicContact OD1-NZ 3.15Å; D65-K127 PolarHBondContact OD1-NZ 3.33Å; D65-K127 WeakPolarHBondContact OD2-CE 3.49Å; D65-K127 IonicContact OD2-NZ 2.79Å; D65-K127 PolarHBondContact OD2-NZ 3.17Å; D65-P177 HydrophobicContact CB-CG 4.02Å; D65-R208 VanDerWaalsContact C-NH2 3.34Å; D65-R208 PolarHBondContact O-NH2 2.9Å
66C97.9Very high98.2Very high75 Ų7539.2 Ų39.251%0.50721%0.212SC..  trans-74.4151163.5-730000110.4L68 I69C66-L68 WeakPolarHBondContact CB-O 3.23Å; C66-L68 PolarHBondContact O-N 3.09Å; C66-I69 WeakPolarHBondContact O-CG1 3.28Å
67T98.6Very high98.2Very high8 Ų835 Ų355%0.04919%0.19CC..SBendtrans-61.1-27.9175.5-54.10000112.7L178 A179 I203 L206 R208T67-L178 HydrophobicContact CG2-CB 4.09Å; T67-L178 HydrophobicContact CG2-CD1 3.7Å; T67-L178 HydrophobicContact CG2-CG 3.78Å; T67-L178 PolarHBondContact O-N 3.23Å; T67-A179 PolarHBondContact O-N 2.99Å; T67-I203 WeakPolarHBondContact CB-O 3.11Å; T67-I203 HydrophobicContact CG2-CG2 4Å; T67-L206 HydrophobicContact CG2-CB 4.03Å; T67-L206 HydrophobicContact CG2-CD1 4.48Å; T67-L206 PolarHBondContact OG1-O 3.47Å; T67-R208 HydrophobicContact CG2-CG 4.38Å; T67-R208 PolarHBondContact OG1-NE 2.94Å; T67-R208 VanDerWaalsContact OG1-NE 3.08Å
68L98.8Very high98.3Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-110.8109.9160.8175.162.3000108.5C66 A179 L181 F187 L200 I203 R204C66-L68 WeakPolarHBondContact CB-O 3.23Å; C66-L68 PolarHBondContact O-N 3.09Å; L68-A179 WeakPolarHBondContact CA-O 3.29Å; L68-A179 HydrophobicContact CD1-CB 3.65Å; L68-L181 HydrophobicContact CD1-CB 4.16Å; L68-F187 HydrophobicContact CD1-CD2 4.34Å; L68-F187 HydrophobicContact CD1-CE2 4Å; L68-L200 HydrophobicContact CD2-CB 3.82Å; L68-L200 HydrophobicContact CD2-CD1 4.33Å; L68-L200 HydrophobicContact CD2-CG 4.46Å; L68-I203 HydrophobicContact CB-CB 4.19Å; L68-I203 HydrophobicContact CB-CG2 3.8Å; L68-R204 HydrophobicContact CB-CG 3.82Å; L68-R204 HydrophobicContact CD2-CG 3.94Å; L68-R204 HydrophobicContact CG-CG 4.37Å; L68-R204 PolarHBondContact O-NH1 3.33Å
69I98.7Very high98.3Very high8 Ų832 Ų324%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-83.5131.1-175.5-43.3175.5000110.3D65 C66 L71 Y135 L137 P177 A179 A180 L181D65-I69 HydrophobicContact CB-CG1 4.38Å; C66-I69 WeakPolarHBondContact O-CG1 3.28Å; I69-L71 HydrophobicContact CB-CG 4.42Å; I69-L71 HydrophobicContact CG2-CD2 3.58Å; I69-L71 HydrophobicContact CG2-CG 3.96Å; I69-Y135 HydrophobicContact CD1-CD1 4Å; I69-Y135 HydrophobicContact CG2-CD1 3.85Å; I69-Y135 HydrophobicContact CG2-CE1 3.89Å; I69-L137 HydrophobicContact CD1-CD2 3.83Å; I69-L137 HydrophobicContact CG1-CD2 4.46Å; I69-P177 HydrophobicContact CD1-CB 3.73Å; I69-P177 HydrophobicContact CD1-CG 3.73Å; I69-P177 HydrophobicContact CG1-CB 3.81Å; I69-P177 HydrophobicContact CG1-CG 4.14Å; I69-A179 PolarHBondContact N-O 3.14Å; I69-A180 HydrophobicContact CB-CB 4.19Å; I69-A180 CarbonylContact O-C 3.53Å; I69-A180 VanDerWaalsContact O-CA 3.29Å; I69-A180 WeakPolarHBondContact O-CA 3.06Å; I69-L181 PolarHBondContact O-N 3.13Å
70D98.5Very high98.3Very high80 Ų8030.3 Ų30.343%0.42817%0.17SC..EExtended strand (participates in β ladder)trans-91.4121.8171.7-67-67.4000111R204D70-R204 VanDerWaalsContact CG-NH2 3.35Å; D70-R204 IonicContact OD1-CZ 3.22Å; D70-R204 IonicContact OD1-NH1 2.87Å; D70-R204 IonicContact OD1-NH2 2.68Å; D70-R204 PolarHBondContact OD1-NH2 3.13Å; D70-R204 IonicContact OD2-CZ 2.81Å; D70-R204 IonicContact OD2-NH1 3.34Å; D70-R204 PolarHBondContact OD2-NH1 3.16Å; D70-R204 IonicContact OD2-NH2 2.85Å; D70-R204 PolarHBondContact OD2-NH2 3.42Å
71L98.5Very high98.3Very high6 Ų628.5 Ų28.53%0.03116%0.156CC..EExtended strand (participates in β ladder)trans-124.3155.9-172.2-61.9-179.8000111.9I69 I75 L104 Y135 A180 L181 I182 E183I69-L71 HydrophobicContact CB-CG 4.42Å; I69-L71 HydrophobicContact CG2-CD2 3.58Å; I69-L71 HydrophobicContact CG2-CG 3.96Å; L71-I75 HydrophobicContact CB-CD1 4.47Å; L71-I75 HydrophobicContact CD1-CD1 3.74Å; L71-L104 HydrophobicContact CD1-CB 4.44Å; L71-L104 HydrophobicContact CD1-CD1 4.04Å; L71-L104 HydrophobicContact CD1-CD2 4.05Å; L71-L104 HydrophobicContact CD1-CG 4.42Å; L71-Y135 HydrophobicContact CD1-CD2 4.31Å; L71-Y135 HydrophobicContact CD1-CG 4.32Å; L71-Y135 HydrophobicContact CD2-CD1 3.75Å; L71-Y135 HydrophobicContact CD2-CD2 3.67Å; L71-Y135 HydrophobicContact CD2-CE1 3.47Å; L71-Y135 VanDerWaalsContact CD2-CE1 3.47Å; L71-Y135 HydrophobicContact CD2-CE2 3.44Å; L71-Y135 VanDerWaalsContact CD2-CE2 3.44Å; L71-Y135 HydrophobicContact CD2-CG 3.82Å; L71-A180 HydrophobicContact CD1-CB 3.65Å; L71-A180 HydrophobicContact CG-CB 4.32Å; L71-L181 PolarHBondContact N-O 3.01Å; L71-I182 HydrophobicContact CB-CG1 4.04Å; L71-I182 HydrophobicContact CD1-CG1 4.46Å; L71-I182 WeakPolarHBondContact O-CA 3.26Å; L71-E183 PolarHBondContact O-N 3.02Å
72K98.2Very high98.3Very high141 Ų14128.1 Ų28.161%0.61315%0.152SC*.  trans-122.9149.7174.1-65.5-177.2179.7174.70110.2R102K72-R102 PolarHBondContact O-NH1 3.17Å
73P98.1Very high98.3Very high17 Ų1728.3 Ų28.311%0.1115%0.154CC..SBendtrans-72.2163.9167.432.7-37.5000112E183 I301 S302 M305P73-E183 HydrophobicContact CG-CG 4Å; P73-I301 HydrophobicContact CB-CG2 4.13Å; P73-S302 WeakPolarHBondContact CB-O 3.44Å; P73-M305 HydrophobicContact CB-SD 4.48Å; P73-M305 HydrophobicContact CG-SD 3.8Å
74P98Very high98.2Very high56 Ų5627 Ų2736%0.36415%0.148SC..SBendcis-75.6144-1.233.5-31000110.9I301 K303P74-I301 WeakPolarHBondContact CA-O 3.35Å; P74-K303 HydrophobicContact CB-CG 4.36Å; P74-K303 HydrophobicContact CG-CG 4.14Å
75I98.6Very high98.2Very high3 Ų322.9 Ų22.92%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-152.1146.2179.4-166.1165.8000110.8L71 R102 L104 Y135 I182 I301L71-I75 HydrophobicContact CB-CD1 4.47Å; L71-I75 HydrophobicContact CD1-CD1 3.74Å; I75-R102 HydrophobicContact CG1-CB 4.29Å; I75-L104 HydrophobicContact CD1-CB 3.79Å; I75-L104 HydrophobicContact CG1-CB 4.26Å; I75-Y135 HydrophobicContact CD1-CD2 4.33Å; I75-I182 HydrophobicContact CG2-CD1 3.89Å; I75-I182 HydrophobicContact CG2-CG2 4.39Å; I75-I301 HydrophobicContact CG2-CB 4.19Å; I75-I301 HydrophobicContact CG2-CD1 4.22Å; I75-I301 PolarHBondContact N-O 2.94Å; I75-I301 VanDerWaalsContact N-O 3.1Å; I75-I301 PolarHBondContact O-N 3.33Å
76I98.6Very high98.1Very high5 Ų525 Ų253%0.02615%0.146CC..EExtended strand (participates in β ladder)trans-105.7123.5177.5-50-170.1000108Q95 R101 R102 Y103 L104 V298 M299 N300I76-Q95 HydrophobicContact CD1-CB 3.64Å; I76-Q95 HydrophobicContact CD1-CG 4.21Å; I76-R101 HydrophobicContact CD1-CB 4.14Å; I76-R101 HydrophobicContact CD1-CG 4.25Å; I76-R102 PolarHBondContact N-O 2.79Å; I76-Y103 HydrophobicContact CB-CD1 3.84Å; I76-Y103 HydrophobicContact CB-CE1 3.86Å; I76-Y103 HydrophobicContact CD1-CE1 4.07Å; I76-Y103 HydrophobicContact CG1-CE1 4.45Å; I76-Y103 HydrophobicContact CG2-CD1 4.09Å; I76-Y103 HydrophobicContact CG2-CE1 3.84Å; I76-Y103 CarbonylContact O-C 3.46Å; I76-Y103 WeakPolarHBondContact O-CA 3.34Å; I76-L104 PolarHBondContact O-N 2.94Å; I76-V298 HydrophobicContact CG2-CB 4.03Å; I76-V298 HydrophobicContact CG2-CG2 4.11Å; I76-M299 CarbonylContact C-O 3.48Å; I76-M299 WeakPolarHBondContact CA-O 3.25Å; I76-N300 WeakPolarHBondContact CD1-OD1 3.46Å; I76-N300 WeakPolarHBondContact CG1-OD1 3.46Å
77V98.8Very high97.9Very high0 Ų021.7 Ų21.70%012%0.124CC..EExtended strand (participates in β ladder)trans-103.5124.1-179.9-172.70000109.1L104 L106 I182 V263 M299 I301V77-L104 CarbonylContact C-O 3.54Å; V77-L104 VanDerWaalsContact CA-O 3.25Å; V77-L104 WeakPolarHBondContact CA-O 2.81Å; V77-L104 HydrophobicContact CG1-CD2 4.34Å; V77-L104 HydrophobicContact CG2-CB 4.38Å; V77-L104 HydrophobicContact CG2-CD2 4.28Å; V77-L106 HydrophobicContact CG1-CD1 3.67Å; V77-L106 HydrophobicContact CG1-CD2 3.83Å; V77-L106 HydrophobicContact CG1-CG 3.71Å; V77-I182 HydrophobicContact CG2-CD1 4.15Å; V77-V263 HydrophobicContact CG1-CG1 4.09Å; V77-M299 HydrophobicContact CB-CB 4.2Å; V77-M299 PolarHBondContact N-O 3Å; V77-M299 PolarHBondContact O-N 3.13Å; V77-I301 HydrophobicContact CG2-CD1 4.14Å
78C98.7Very high97.9Very high0 Ų021.3 Ų21.30%012%0.121CC..EExtended strand (participates in β ladder)trans-113.8137.1-179.6-58.60000109.7L104 F105 L106C78-L104 PolarHBondContact N-O 3.24Å; C78-F105 HydrophobicContact CB-CD1 3.46Å; C78-F105 VanDerWaalsContact CB-CD1 3.46Å; C78-F105 HydrophobicContact CB-CD2 4.35Å; C78-F105 HydrophobicContact CB-CE1 3.52Å; C78-F105 HydrophobicContact CB-CE2 4.39Å; C78-F105 HydrophobicContact CB-CG 3.9Å; C78-F105 HydrophobicContact CB-CZ 4.01Å; C78-F105 WeakPolarHBondContact O-CA 3.42Å; C78-L106 WeakPolarHBondContact O-CG 3.35Å; C78-L106 PolarHBondContact O-N 3Å
79G98.6Very high97.8Very high0 Ų021.9 Ų21.90%012%0.124CC..  trans-88.3-149.2170.900000112.1V284 S286G79-V284 WeakPolarHBondContact CA-O 3.3Å; G79-S286 PolarHBondContact N-OG 3.47Å
80D98.7Very high97.5Very high1 Ų124.1 Ų24.11%0.00513%0.132CC..  trans-60142.4-175.3-50.946.6000112.6H82 D108 H190 A265 H266 F285 S286 C287D80-H82 IonicContact OD2-NE2 2.73Å; D80-D108 HydrophobicContact CB-CB 4.12Å; D80-H190 IonicContact OD1-CE1 3.66Å; D80-H190 IonicContact OD2-CE1 3.24Å; D80-A265 WeakPolarHBondContact OD1-CB 3.45Å; D80-H266 PolarHBondContact OD1-N 2.91Å; D80-H266 WeakPolarHBondContact OD2-CA 3.24Å; D80-H266 PolarHBondContact OD2-N 3.37Å; D80-F285 HydrophobicContact CB-CD2 3.77Å; D80-F285 HydrophobicContact CB-CE2 3.4Å; D80-F285 VanDerWaalsContact CB-CE2 3.4Å; D80-F285 HydrophobicContact CB-CZ 3.84Å; D80-F285 WeakPolarHBondContact OD1-CD2 3.41Å; D80-F285 WeakPolarHBondContact OD2-CE2 3.29Å; D80-S286 CarbonylContact O-C 3.59Å; D80-S286 WeakPolarHBondContact O-CA 3.45Å; D80-S286 WeakPolarHBondContact O-CB 3.39Å; D80-S286 PolarHBondContact O-N 2.9Å; D80-C287 PolarHBondContact O-N 3.49Å; D80-C287 VanDerWaalsContact O-N 3.07Å
81I98.4Very high97.4Very high1 Ų120.8 Ų20.81%0.00511%0.114CC..  trans-120.7-36.3177.3-60.2-64.2000111.8G83 D84 L88 I91 F105 D108 V119I81-G83 PolarHBondContact O-N 2.9Å; I81-D84 WeakPolarHBondContact O-CB 3.39Å; I81-D84 PolarHBondContact O-N 3.28Å; I81-L88 HydrophobicContact CG2-CB 4.26Å; I81-I91 HydrophobicContact CD1-CD1 3.82Å; I81-F105 HydrophobicContact CD1-CE1 4.34Å; I81-F105 HydrophobicContact CG1-CD1 4.36Å; I81-F105 HydrophobicContact CG1-CE1 4.19Å; I81-D108 PolarHBondContact N-O 2.99Å; I81-V119 HydrophobicContact CB-CG1 4.32Å; I81-V119 HydrophobicContact CG2-CB 4.49Å; I81-V119 HydrophobicContact CG2-CG1 3.77Å; I81-V119 HydrophobicContact CG2-CG2 3.82Å
82H98.2Very high97.3Very high5 Ų520.5 Ų20.52%0.02311%0.113CC..THydrogen-bonded Turntrans47.849.8173.6-79.3-52.5000115D80 D84 D108 V110 D111 R112 G113 H141 Y290D80-H82 IonicContact OD2-NE2 2.73Å; H82-D84 PolarHBondContact O-N 2.98Å; H82-D84 VanDerWaalsContact O-N 3.13Å; H82-D108 IonicContact CE1-OD2 3.6Å; H82-D108 PolarHBondContact N-O 3.36Å; H82-D108 IonicContact NE2-OD2 3.56Å; H82-V110 PolarHBondContact ND1-O 3.43Å; H82-D111 CarbonylContact C-O 3.53Å; H82-D111 WeakPolarHBondContact CA-O 3.27Å; H82-D111 WeakPolarHBondContact CB-O 3.39Å; H82-D111 VanDerWaalsContact O-O 3.05Å; H82-R112 HydrophobicContact CB-CB 4.16Å; H82-R112 HydrophobicContact CB-CG 4.31Å; H82-G113 WeakPolarHBondContact O-CA 3.4Å; H82-G113 PolarHBondContact O-N 2.81Å; H82-H141 AromaticContact CE1-CD2 3.52Å; H82-H141 AromaticContact CE1-CE1 3.86Å; H82-H141 AromaticContact CE1-CG 3.72Å; H82-H141 AromaticContact CE1-ND1 3.94Å; H82-H141 AromaticContact CE1-NE2 3.61Å; H82-Y290 HydrophobicContact CB-CE2 4.06Å; H82-Y290 AromaticContact CD2-CE2 3.19Å; H82-Y290 WeakPolarHBondContact CD2-CE2 3.31Å; H82-Y290 AromaticContact CD2-CZ 3.63Å; H82-Y290 PolarHBondContact CD2-OH 3.25Å; H82-Y290 AromaticContact CG-CE2 3.79Å; H82-Y290 AromaticContact NE2-CE2 3.76Å; H82-Y290 AromaticContact NE2-CZ 3.7Å; H82-Y290 PolarHBondContact NE2-OH 2.84Å
83G97.8Very high97.1Very high4 Ų417.5 Ų17.54%0.04111%0.11CC..THydrogen-bonded Turntrans67.39.8178.400000115.7I81 Y85 Y109 L115I81-G83 PolarHBondContact O-N 2.9Å; G83-Y85 VanDerWaalsContact C-N 3.32Å; G83-Y85 PolarHBondContact O-N 3.18Å; G83-Y85 VanDerWaalsContact O-N 3.08Å; G83-Y109 PolarHBondContact N-O 3.09Å; G83-L115 PolarHBondContact O-N 3.32Å
84D96.2Very high96.9Very high44 Ų4420 Ų2024%0.23513%0.125CC..  trans-80.181169.1-175-6.1000110.7I81 H82 A86 T87 L88I81-D84 WeakPolarHBondContact O-CB 3.39Å; I81-D84 PolarHBondContact O-N 3.28Å; H82-D84 PolarHBondContact O-N 2.98Å; H82-D84 VanDerWaalsContact O-N 3.13Å; D84-A86 VanDerWaalsContact C-N 3.31Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 PolarHBondContact OD1-N 2.9Å; D84-T87 VanDerWaalsContact CG-CB 3.43Å; D84-T87 VanDerWaalsContact CG-OG1 3.27Å; D84-T87 PolarHBondContact O-N 3.28Å; D84-T87 PolarHBondContact OD1-N 2.86Å; D84-T87 PolarHBondContact OD1-OG1 2.89Å; D84-T87 WeakPolarHBondContact OD2-CB 3.03Å; D84-T87 PolarHBondContact OD2-OG1 2.87Å; D84-L88 PolarHBondContact O-N 2.8Å; D84-L88 VanDerWaalsContact O-N 3.12Å
85Y97.3Very high96.7Very high3 Ų318.5 Ų18.51%0.01211%0.113CC..Hα-helixtrans-65.2-32.9-178.5-168.4-117.2000113.5L35 V38 G83 T87 L88 L89 L115 E118 V119 L122L35-Y85 WeakPolarHBondContact CB-OH 3.45Å; L35-Y85 VanDerWaalsContact O-CE1 3.31Å; L35-Y85 WeakPolarHBondContact O-CE1 3.14Å; L35-Y85 PolarHBondContact O-OH 3.43Å; V38-Y85 HydrophobicContact CB-CD1 4.41Å; V38-Y85 HydrophobicContact CB-CE1 3.86Å; V38-Y85 HydrophobicContact CG1-CD1 4.38Å; V38-Y85 HydrophobicContact CG1-CE1 4.27Å; G83-Y85 VanDerWaalsContact C-N 3.32Å; G83-Y85 PolarHBondContact O-N 3.18Å; G83-Y85 VanDerWaalsContact O-N 3.08Å; Y85-T87 VanDerWaalsContact C-N 3.33Å; Y85-T87 PolarHBondContact O-N 2.82Å; Y85-L88 HydrophobicContact CD2-CD2 4.1Å; Y85-L88 HydrophobicContact CE2-CD2 4.19Å; Y85-L88 PolarHBondContact O-N 2.88Å; Y85-L89 HydrophobicContact CD1-CD1 3.98Å; Y85-L89 HydrophobicContact CD1-CG 4.29Å; Y85-L89 HydrophobicContact CE1-CD1 3.57Å; Y85-L89 HydrophobicContact CE1-CD2 4.18Å; Y85-L89 HydrophobicContact CE1-CG 3.93Å; Y85-L89 HydrophobicContact CE2-CD2 4.32Å; Y85-L89 HydrophobicContact CE2-CG 4.45Å; Y85-L89 WeakPolarHBondContact O-CG 3.4Å; Y85-L89 PolarHBondContact O-N 3.12Å; Y85-L115 HydrophobicContact CD1-CD1 4.26Å; Y85-L115 HydrophobicContact CG-CB 4.45Å; Y85-L115 HydrophobicContact CG-CD1 4.34Å; Y85-E118 HydrophobicContact CD1-CB 4.28Å; Y85-E118 HydrophobicContact CD2-CB 3.72Å; Y85-E118 HydrophobicContact CE1-CB 4.32Å; Y85-E118 HydrophobicContact CE2-CB 3.77Å; Y85-E118 HydrophobicContact CG-CB 3.98Å; Y85-V119 HydrophobicContact CD2-CG2 3.82Å; Y85-V119 HydrophobicContact CG-CG2 4.43Å; Y85-L122 HydrophobicContact CE2-CB 4.18Å; Y85-L122 HydrophobicContact CE2-CD2 3.74Å
86A95.5Very high96.5Very high68 Ų6819.4 Ų19.456%0.56212%0.123SC*.Hα-helixtrans-64.4-41.1177.500000111D84 R90D84-A86 VanDerWaalsContact C-N 3.31Å; D84-A86 PolarHBondContact O-N 2.85Å; D84-A86 PolarHBondContact OD1-N 2.9Å; A86-R90 WeakPolarHBondContact O-CB 3.49Å; A86-R90 PolarHBondContact O-N 3.24Å
87T94.1Very high96.4Very high6 Ų621 Ų214%0.03713%0.129CC..Hα-helixtrans-66.2-41173.9-71.10000112.1D84 Y85 L89 R90 I91 S286 P288D84-T87 VanDerWaalsContact CG-CB 3.43Å; D84-T87 VanDerWaalsContact CG-OG1 3.27Å; D84-T87 PolarHBondContact O-N 3.28Å; D84-T87 PolarHBondContact OD1-N 2.86Å; D84-T87 PolarHBondContact OD1-OG1 2.89Å; D84-T87 WeakPolarHBondContact OD2-CB 3.03Å; D84-T87 PolarHBondContact OD2-OG1 2.87Å; Y85-T87 VanDerWaalsContact C-N 3.33Å; Y85-T87 PolarHBondContact O-N 2.82Å; T87-L89 PolarHBondContact O-N 3Å; T87-R90 WeakPolarHBondContact O-CB 3.41Å; T87-R90 PolarHBondContact O-N 2.73Å; T87-I91 HydrophobicContact CG2-CD1 4.12Å; T87-I91 HydrophobicContact CG2-CG1 4.43Å; T87-I91 WeakPolarHBondContact O-CG1 3.08Å; T87-I91 PolarHBondContact O-N 3.26Å; T87-S286 WeakPolarHBondContact CG2-O 3.27Å; T87-P288 VanDerWaalsContact OG1-CD 3.25Å; T87-P288 WeakPolarHBondContact OG1-CD 3.15Å; T87-P288 WeakPolarHBondContact OG1-CG 3.42Å
88L97Very high96.3Very high0 Ų021 Ų210%013%0.129CC..Hα-helixtrans-56.5-51.3175.7-179.864.1000112.1I81 D84 Y85 R90 I91 F92 F105 V119 L122 L123I81-L88 HydrophobicContact CG2-CB 4.26Å; D84-L88 PolarHBondContact O-N 2.8Å; D84-L88 VanDerWaalsContact O-N 3.12Å; Y85-L88 HydrophobicContact CD2-CD2 4.1Å; Y85-L88 HydrophobicContact CE2-CD2 4.19Å; Y85-L88 PolarHBondContact O-N 2.88Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.21Å; L88-I91 WeakPolarHBondContact O-CB 3.12Å; L88-I91 PolarHBondContact O-N 3.31Å; L88-I91 VanDerWaalsContact O-N 3.14Å; L88-F92 HydrophobicContact CD1-CD2 4.47Å; L88-F92 HydrophobicContact CD1-CE2 3.58Å; L88-F92 HydrophobicContact CD1-CZ 3.62Å; L88-F92 HydrophobicContact CD2-CE2 4.3Å; L88-F92 HydrophobicContact CG-CD2 4.36Å; L88-F92 HydrophobicContact CG-CE2 3.67Å; L88-F92 HydrophobicContact CG-CZ 4.24Å; L88-F92 WeakPolarHBondContact O-CD2 3.07Å; L88-F92 PolarHBondContact O-N 3.44Å; L88-F105 HydrophobicContact CD1-CE1 3.7Å; L88-F105 HydrophobicContact CD1-CZ 3.76Å; L88-V119 HydrophobicContact CD2-CB 4.28Å; L88-V119 HydrophobicContact CD2-CG1 4.14Å; L88-V119 HydrophobicContact CD2-CG2 4.15Å; L88-L122 HydrophobicContact CD2-CD2 4Å; L88-L123 HydrophobicContact CD1-CD2 3.99Å; L88-L123 HydrophobicContact CD2-CD2 4.39Å; L88-L123 HydrophobicContact CD2-CG 4.45Å
89L96.4Very high96.2Very high12 Ų1222.5 Ų22.56%0.06314%0.138CC..Hα-helixtrans-61.3-36.7177.9-65.2-178.6000112.2I36 Y85 T87 F92 S93 W97 L122I36-L89 HydrophobicContact CG1-CD2 4.18Å; I36-L89 WeakPolarHBondContact O-CD1 3.23Å; Y85-L89 HydrophobicContact CD1-CD1 3.98Å; Y85-L89 HydrophobicContact CD1-CG 4.29Å; Y85-L89 HydrophobicContact CE1-CD1 3.57Å; Y85-L89 HydrophobicContact CE1-CD2 4.18Å; Y85-L89 HydrophobicContact CE1-CG 3.93Å; Y85-L89 HydrophobicContact CE2-CD2 4.32Å; Y85-L89 HydrophobicContact CE2-CG 4.45Å; Y85-L89 WeakPolarHBondContact O-CG 3.4Å; Y85-L89 PolarHBondContact O-N 3.12Å; T87-L89 PolarHBondContact O-N 3Å; L89-F92 PolarHBondContact O-N 3.2Å; L89-S93 WeakPolarHBondContact O-CB 3.43Å; L89-S93 PolarHBondContact O-N 3.18Å; L89-S93 PolarHBondContact O-OG 3.31Å; L89-W97 HydrophobicContact CD2-CH2 3.88Å; L89-W97 HydrophobicContact CD2-CZ3 4.43Å; L89-L122 HydrophobicContact CD2-CD2 3.79Å
90R94.4Very high96.1Very high54 Ų5426.2 Ų26.220%0.20416%0.161CC..Hα-helixtrans-66.2-37.7175.9-178.3175.660.9126.8-2.4112.2A86 T87 L88 S93 T94 S313A86-R90 WeakPolarHBondContact O-CB 3.49Å; A86-R90 PolarHBondContact O-N 3.24Å; T87-R90 WeakPolarHBondContact O-CB 3.41Å; T87-R90 PolarHBondContact O-N 2.73Å; L88-R90 VanDerWaalsContact C-N 3.26Å; L88-R90 PolarHBondContact O-N 3.21Å; R90-S93 PolarHBondContact O-N 2.73Å; R90-T94 HydrophobicContact CG-CG2 4.1Å; R90-T94 WeakPolarHBondContact O-CB 3.37Å; R90-T94 VanDerWaalsContact O-CG2 3.27Å; R90-T94 WeakPolarHBondContact O-CG2 3.41Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 3Å; R90-S313 PolarHBondContact NH1-O 3.48Å
91I95.9Very high96.1Very high11 Ų1132.4 Ų32.46%0.05619%0.185CC..Hα-helixtrans-57.8-52.2174.5-71.5165.6000109.5I81 T87 L88 S93 T94 Q95 Y103 V298I81-I91 HydrophobicContact CD1-CD1 3.82Å; T87-I91 HydrophobicContact CG2-CD1 4.12Å; T87-I91 HydrophobicContact CG2-CG1 4.43Å; T87-I91 WeakPolarHBondContact O-CG1 3.08Å; T87-I91 PolarHBondContact O-N 3.26Å; L88-I91 WeakPolarHBondContact O-CB 3.12Å; L88-I91 PolarHBondContact O-N 3.31Å; L88-I91 VanDerWaalsContact O-N 3.14Å; I91-S93 PolarHBondContact O-N 2.68Å; I91-T94 PolarHBondContact O-N 3.07Å; I91-T94 PolarHBondContact O-OG1 2.8Å; I91-Q95 HydrophobicContact CG2-CG 4.28Å; I91-Q95 VanDerWaalsContact O-CB 3.24Å; I91-Q95 WeakPolarHBondContact O-CB 3.48Å; I91-Q95 VanDerWaalsContact O-CG 3.27Å; I91-Q95 WeakPolarHBondContact O-CG 3.3Å; I91-Q95 PolarHBondContact O-N 3.15Å; I91-Y103 HydrophobicContact CG2-CE1 4.04Å; I91-V298 HydrophobicContact CD1-CG1 3.99Å; I91-V298 HydrophobicContact CG1-CG1 4.01Å; I91-V298 HydrophobicContact CG2-CG1 3.99Å
92F96.3Very high96.1Very high0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-63.8-40.8178.7-58.1-44000112.9L88 L89 T94 G96 W97 P98 Y103 F105 L122 L123 F126 F134L88-F92 HydrophobicContact CD1-CD2 4.47Å; L88-F92 HydrophobicContact CD1-CE2 3.58Å; L88-F92 HydrophobicContact CD1-CZ 3.62Å; L88-F92 HydrophobicContact CD2-CE2 4.3Å; L88-F92 HydrophobicContact CG-CD2 4.36Å; L88-F92 HydrophobicContact CG-CE2 3.67Å; L88-F92 HydrophobicContact CG-CZ 4.24Å; L88-F92 WeakPolarHBondContact O-CD2 3.07Å; L88-F92 PolarHBondContact O-N 3.44Å; L89-F92 PolarHBondContact O-N 3.2Å; F92-T94 VanDerWaalsContact C-N 3.3Å; F92-T94 PolarHBondContact O-N 3.33Å; F92-G96 CarbonylContact O-C 3.21Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.42Å; F92-G96 PolarHBondContact O-N 3.03Å; F92-W97 HydrophobicContact CB-CD2 3.59Å; F92-W97 HydrophobicContact CB-CE3 3.44Å; F92-W97 VanDerWaalsContact CB-CE3 3.44Å; F92-W97 HydrophobicContact CB-CG 4.29Å; F92-W97 HydrophobicContact CB-CH2 3.82Å; F92-W97 HydrophobicContact CB-CZ2 3.97Å; F92-W97 HydrophobicContact CB-CZ3 3.56Å; F92-W97 AromaticContact CD2-CE3 4Å; F92-W97 HydrophobicContact CD2-CE3 4Å; F92-W97 HydrophobicContact CD2-CH2 4.18Å; F92-W97 AromaticContact CD2-CZ3 3.56Å; F92-W97 HydrophobicContact CD2-CZ3 3.56Å; F92-W97 AromaticContact CG-CE3 3.92Å; F92-W97 HydrophobicContact CG-CE3 3.92Å; F92-W97 HydrophobicContact CG-CH2 4.48Å; F92-W97 AromaticContact CG-CZ3 3.91Å; F92-W97 HydrophobicContact CG-CZ3 3.91Å; F92-P98 HydrophobicContact CD1-CG 4.37Å; F92-P98 HydrophobicContact CE1-CG 4.26Å; F92-Y103 HydrophobicContact CD1-CE1 4.07Å; F92-Y103 AromaticContact CD1-CE2 3.99Å; F92-Y103 HydrophobicContact CD1-CE2 3.99Å; F92-Y103 AromaticContact CD1-CZ 3.68Å; F92-Y103 HydrophobicContact CE1-CD1 4.26Å; F92-Y103 HydrophobicContact CE1-CD2 4.4Å; F92-Y103 HydrophobicContact CE1-CE1 4.06Å; F92-Y103 HydrophobicContact CE1-CE2 4.18Å; F92-Y103 HydrophobicContact CE1-CG 4.42Å; F92-F105 HydrophobicContact CE1-CE2 4.04Å; F92-F105 AromaticContact CE1-CZ 3.81Å; F92-F105 HydrophobicContact CE1-CZ 3.81Å; F92-F105 HydrophobicContact CZ-CE2 4.14Å; F92-F105 AromaticContact CZ-CZ 3.76Å; F92-F105 HydrophobicContact CZ-CZ 3.76Å; F92-L122 HydrophobicContact CD2-CD2 4.44Å; F92-L122 HydrophobicContact CE2-CD2 4.02Å; F92-L123 HydrophobicContact CZ-CD2 4.29Å; F92-F126 HydrophobicContact CD2-CE2 4.07Å; F92-F126 HydrophobicContact CE2-CD2 4.15Å; F92-F126 AromaticContact CE2-CE2 3.67Å; F92-F126 HydrophobicContact CE2-CE2 3.67Å; F92-F126 HydrophobicContact CZ-CD2 4.15Å; F92-F126 HydrophobicContact CZ-CE2 4.08Å; F92-F134 AromaticContact CE1-CE2 3.81Å; F92-F134 HydrophobicContact CE1-CE2 3.81Å; F92-F134 HydrophobicContact CE1-CZ 4.22Å; F92-F134 AromaticContact CZ-CE2 3.91Å; F92-F134 HydrophobicContact CZ-CE2 3.91Å; F92-F134 AromaticContact CZ-CZ 3.91Å; F92-F134 HydrophobicContact CZ-CZ 3.91Å
93S94Very high96.1Very high78 Ų7834.6 Ų34.655%0.54519%0.192SC..Hα-helixtrans-65.2-31.7179.1-58.90000113.3L89 R90 I91 W97L89-S93 WeakPolarHBondContact O-CB 3.43Å; L89-S93 PolarHBondContact O-N 3.18Å; L89-S93 PolarHBondContact O-OG 3.31Å; R90-S93 PolarHBondContact O-N 2.73Å; I91-S93 PolarHBondContact O-N 2.68Å; S93-W97 WeakPolarHBondContact OG-CZ2 3.25Å
94T92.7Very high96.1Very high69 Ų6934.4 Ų34.442%0.42319%0.19SC..Hα-helixtrans-91.5-34.5-178.155.80000113.2R90 I91 F92R90-T94 HydrophobicContact CG-CG2 4.1Å; R90-T94 WeakPolarHBondContact O-CB 3.37Å; R90-T94 VanDerWaalsContact O-CG2 3.27Å; R90-T94 WeakPolarHBondContact O-CG2 3.41Å; R90-T94 PolarHBondContact O-N 3.47Å; R90-T94 PolarHBondContact O-OG1 3Å; I91-T94 PolarHBondContact O-N 3.07Å; I91-T94 PolarHBondContact O-OG1 2.8Å; F92-T94 VanDerWaalsContact C-N 3.3Å; F92-T94 PolarHBondContact O-N 3.33Å
95Q94.2Very high96.3Very high25 Ų2532.3 Ų32.312%0.11718%0.179CC..Hα-helixtrans-93.4-28.2-176-60.5-55-64.400113I76 I91 R101 Y103 V298 N300 T310I76-Q95 HydrophobicContact CD1-CB 3.64Å; I76-Q95 HydrophobicContact CD1-CG 4.21Å; I91-Q95 HydrophobicContact CG2-CG 4.28Å; I91-Q95 VanDerWaalsContact O-CB 3.24Å; I91-Q95 WeakPolarHBondContact O-CB 3.48Å; I91-Q95 VanDerWaalsContact O-CG 3.27Å; I91-Q95 WeakPolarHBondContact O-CG 3.3Å; I91-Q95 PolarHBondContact O-N 3.15Å; Q95-R101 VanDerWaalsContact O-CG 3.29Å; Q95-R101 WeakPolarHBondContact O-CG 3.27Å; Q95-R101 PolarHBondContact O-NE 2.75Å; Q95-R101 VanDerWaalsContact O-NE 3.1Å; Q95-Y103 VanDerWaalsContact CB-OH 3.26Å; Q95-Y103 WeakPolarHBondContact CB-OH 3.09Å; Q95-V298 HydrophobicContact CG-CG2 3.92Å; Q95-N300 PolarHBondContact OE1-ND2 2.71Å; Q95-N300 PolarHBondContact OE1-OD1 2.74Å; Q95-T310 PolarHBondContact NE2-OG1 2.88Å
96G95.1Very high96.3Very high22 Ų2232.1 Ų32.123%0.22718%0.179CC..  trans116.3135.8-176.200000111.7F92 Y103F92-G96 CarbonylContact O-C 3.21Å; F92-G96 VanDerWaalsContact O-CA 3.27Å; F92-G96 WeakPolarHBondContact O-CA 3.42Å; F92-G96 PolarHBondContact O-N 3.03Å; G96-Y103 WeakPolarHBondContact O-CE2 3.33Å; G96-Y103 PolarHBondContact O-OH 3.04Å
97W96.6Very high96.5Very high38 Ų3828.9 Ų28.914%0.14415%0.152CC..  trans-69.2150.5-176.1-66.888.3000112.7I36 L89 F92 S93 T100 R101 F126I36-W97 HydrophobicContact CD1-CE3 4.19Å; I36-W97 HydrophobicContact CD1-CH2 3.68Å; I36-W97 HydrophobicContact CD1-CZ2 4.25Å; I36-W97 HydrophobicContact CD1-CZ3 3.63Å; I36-W97 HydrophobicContact CG1-CH2 3.65Å; I36-W97 HydrophobicContact CG1-CZ3 3.83Å; I36-W97 HydrophobicContact CG2-CH2 4.16Å; I36-W97 HydrophobicContact CG2-CZ2 4.39Å; L89-W97 HydrophobicContact CD2-CH2 3.88Å; L89-W97 HydrophobicContact CD2-CZ3 4.43Å; F92-W97 HydrophobicContact CB-CD2 3.59Å; F92-W97 HydrophobicContact CB-CE3 3.44Å; F92-W97 VanDerWaalsContact CB-CE3 3.44Å; F92-W97 HydrophobicContact CB-CG 4.29Å; F92-W97 HydrophobicContact CB-CH2 3.82Å; F92-W97 HydrophobicContact CB-CZ2 3.97Å; F92-W97 HydrophobicContact CB-CZ3 3.56Å; F92-W97 AromaticContact CD2-CE3 4Å; F92-W97 HydrophobicContact CD2-CE3 4Å; F92-W97 HydrophobicContact CD2-CH2 4.18Å; F92-W97 AromaticContact CD2-CZ3 3.56Å; F92-W97 HydrophobicContact CD2-CZ3 3.56Å; F92-W97 AromaticContact CG-CE3 3.92Å; F92-W97 HydrophobicContact CG-CE3 3.92Å; F92-W97 HydrophobicContact CG-CH2 4.48Å; F92-W97 AromaticContact CG-CZ3 3.91Å; F92-W97 HydrophobicContact CG-CZ3 3.91Å; S93-W97 WeakPolarHBondContact OG-CZ2 3.25Å; W97-T100 WeakPolarHBondContact O-CA 3.5Å; W97-T100 VanDerWaalsContact O-CB 3.29Å; W97-T100 WeakPolarHBondContact O-CB 3.46Å; W97-T100 PolarHBondContact O-N 3.06Å; W97-R101 PolarHBondContact O-N 3.1Å; W97-F126 HydrophobicContact CE3-CE2 4.44Å; W97-F126 AromaticContact CE3-CZ 3.84Å; W97-F126 HydrophobicContact CE3-CZ 3.84Å; W97-F126 HydrophobicContact CZ3-CE2 4.4Å; W97-F126 HydrophobicContact CZ3-CZ 4.05Å
98P96.7Very high96.7Very high1 Ų128.7 Ų28.71%0.00615%0.15CC..THydrogen-bonded Turntrans-61.7144.1164.1-1831.3000111F92 Y103 F126 Y130 F134F92-P98 HydrophobicContact CD1-CG 4.37Å; F92-P98 HydrophobicContact CE1-CG 4.26Å; P98-Y103 HydrophobicContact CG-CD2 3.88Å; P98-Y103 HydrophobicContact CG-CE2 3.94Å; P98-F126 HydrophobicContact CB-CD1 3.91Å; P98-F126 HydrophobicContact CB-CE1 4.26Å; P98-F126 HydrophobicContact CB-CG 4.23Å; P98-F126 HydrophobicContact CG-CB 4.49Å; P98-F126 HydrophobicContact CG-CD1 3.99Å; P98-F126 HydrophobicContact CG-CD2 4.1Å; P98-F126 HydrophobicContact CG-CE1 4.18Å; P98-F126 HydrophobicContact CG-CE2 4.29Å; P98-F126 HydrophobicContact CG-CG 3.96Å; P98-F126 HydrophobicContact CG-CZ 4.34Å; P98-Y130 HydrophobicContact CB-CD2 3.96Å; P98-Y130 HydrophobicContact CB-CE2 4.4Å; P98-F134 HydrophobicContact CB-CD2 3.88Å; P98-F134 HydrophobicContact CB-CE2 4.42Å; P98-F134 HydrophobicContact CG-CD2 3.47Å; P98-F134 VanDerWaalsContact CG-CD2 3.47Å; P98-F134 HydrophobicContact CG-CE2 3.52Å
99P96Very high96.8Very high31 Ų3128.7 Ų28.720%0.20115%0.15CC..THydrogen-bonded Turncis-88.4-0.80.735.2-32.8000113.8R101 Y130 D133P99-R101 PolarHBondContact O-N 2.88Å; P99-Y130 HydrophobicContact CB-CD1 3.73Å; P99-Y130 HydrophobicContact CB-CD2 4.36Å; P99-Y130 HydrophobicContact CB-CE1 4.17Å; P99-Y130 HydrophobicContact CB-CG 3.84Å; P99-Y130 HydrophobicContact CG-CD1 3.8Å; P99-Y130 HydrophobicContact CG-CE1 3.72Å; P99-Y130 HydrophobicContact CG-CG 4.3Å; P99-D133 HydrophobicContact CB-CB 4.28Å
100T97.2Very high96.9Very high78 Ų7828.1 Ų28.148%0.47915%0.147SC..THydrogen-bonded Turntrans-55.2-26.7-179.1-50.20000112.7D7 W97D7-T100 PolarHBondContact OD2-OG1 3.13Å; W97-T100 WeakPolarHBondContact O-CA 3.5Å; W97-T100 VanDerWaalsContact O-CB 3.29Å; W97-T100 WeakPolarHBondContact O-CB 3.46Å; W97-T100 PolarHBondContact O-N 3.06Å
101R97.4Very high97.1Very high131 Ų13125.5 Ų25.549%0.49414%0.138SC..SBendtrans-123.6149.4166.6-64.3-62.2-165.2-155.10.7111.5I76 Q95 W97 P99 Y103I76-R101 HydrophobicContact CD1-CB 4.14Å; I76-R101 HydrophobicContact CD1-CG 4.25Å; Q95-R101 VanDerWaalsContact O-CG 3.29Å; Q95-R101 WeakPolarHBondContact O-CG 3.27Å; Q95-R101 PolarHBondContact O-NE 2.75Å; Q95-R101 VanDerWaalsContact O-NE 3.1Å; W97-R101 PolarHBondContact O-N 3.1Å; P99-R101 PolarHBondContact O-N 2.88Å; R101-Y103 HydrophobicContact CB-CD2 4.3Å; R101-Y103 HydrophobicContact CB-CE2 3.61Å; R101-Y103 WeakPolarHBondContact O-CD2 3.29Å
102R98.5Very high97.1Very high51 Ų5130.8 Ų30.819%0.19216%0.157CC..  trans-96.5135.1177.6-58.8-179.170.3-131.1-1.9110.6K72 I75 I76 K132 D133 Y135K72-R102 PolarHBondContact O-NH1 3.17Å; I75-R102 HydrophobicContact CG1-CB 4.29Å; I76-R102 PolarHBondContact N-O 2.79Å; R102-K132 PolarHBondContact NE-O 2.82Å; R102-K132 PolarHBondContact NH2-O 2.8Å; R102-K132 VanDerWaalsContact NH2-O 3.17Å; R102-D133 CarbonylContact C-O 3.55Å; R102-D133 WeakPolarHBondContact CA-O 3.44Å; R102-D133 WeakPolarHBondContact CD-OD1 3.4Å; R102-D133 HydrophobicContact CG-CB 3.99Å; R102-D133 VanDerWaalsContact CG-OD1 3.24Å; R102-D133 WeakPolarHBondContact CG-OD1 3.36Å; R102-D133 IonicContact NE-OD1 3.25Å; R102-D133 PolarHBondContact NE-OD1 3.3Å; R102-D133 VanDerWaalsContact NE-OD1 3.1Å; R102-Y135 PolarHBondContact NH2-OH 3.44Å
103Y98.8Very high97.1Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-126.2143.2-173.1-75-88.3000112.6I76 I91 F92 Q95 G96 P98 R101 F105 D133 F134 Y135I76-Y103 HydrophobicContact CB-CD1 3.84Å; I76-Y103 HydrophobicContact CB-CE1 3.86Å; I76-Y103 HydrophobicContact CD1-CE1 4.07Å; I76-Y103 HydrophobicContact CG1-CE1 4.45Å; I76-Y103 HydrophobicContact CG2-CD1 4.09Å; I76-Y103 HydrophobicContact CG2-CE1 3.84Å; I76-Y103 CarbonylContact O-C 3.46Å; I76-Y103 WeakPolarHBondContact O-CA 3.34Å; I91-Y103 HydrophobicContact CG2-CE1 4.04Å; F92-Y103 HydrophobicContact CD1-CE1 4.07Å; F92-Y103 AromaticContact CD1-CE2 3.99Å; F92-Y103 HydrophobicContact CD1-CE2 3.99Å; F92-Y103 AromaticContact CD1-CZ 3.68Å; F92-Y103 HydrophobicContact CE1-CD1 4.26Å; F92-Y103 HydrophobicContact CE1-CD2 4.4Å; F92-Y103 HydrophobicContact CE1-CE1 4.06Å; F92-Y103 HydrophobicContact CE1-CE2 4.18Å; F92-Y103 HydrophobicContact CE1-CG 4.42Å; Q95-Y103 VanDerWaalsContact CB-OH 3.26Å; Q95-Y103 WeakPolarHBondContact CB-OH 3.09Å; G96-Y103 WeakPolarHBondContact O-CE2 3.33Å; G96-Y103 PolarHBondContact O-OH 3.04Å; P98-Y103 HydrophobicContact CG-CD2 3.88Å; P98-Y103 HydrophobicContact CG-CE2 3.94Å; R101-Y103 HydrophobicContact CB-CD2 4.3Å; R101-Y103 HydrophobicContact CB-CE2 3.61Å; R101-Y103 WeakPolarHBondContact O-CD2 3.29Å; Y103-F105 AromaticContact CD1-CE2 3.93Å; Y103-F105 HydrophobicContact CD1-CE2 3.93Å; Y103-F105 HydrophobicContact CD1-CZ 4.43Å; Y103-F105 HydrophobicContact CG-CE2 4.15Å; Y103-D133 PolarHBondContact N-O 3.15Å; Y103-F134 HydrophobicContact CD2-CD2 4.09Å; Y103-F134 HydrophobicContact CD2-CE2 4.05Å; Y103-F134 HydrophobicContact CG-CD2 4.24Å; Y103-F134 HydrophobicContact CG-CE2 4Å; Y103-Y135 WeakPolarHBondContact O-CD2 3.31Å; Y103-Y135 PolarHBondContact O-N 2.85Å
104L98.9Very high97.1Very high0 Ų034.2 Ų34.20%017%0.174CC..EExtended strand (participates in β ladder)trans-125.8114.5165174.465.3000108.2L71 I75 I76 V77 C78 L106 Y135 L137 A180 I182 C188L71-L104 HydrophobicContact CD1-CB 4.44Å; L71-L104 HydrophobicContact CD1-CD1 4.04Å; L71-L104 HydrophobicContact CD1-CD2 4.05Å; L71-L104 HydrophobicContact CD1-CG 4.42Å; I75-L104 HydrophobicContact CD1-CB 3.79Å; I75-L104 HydrophobicContact CG1-CB 4.26Å; I76-L104 PolarHBondContact O-N 2.94Å; V77-L104 CarbonylContact C-O 3.54Å; V77-L104 VanDerWaalsContact CA-O 3.25Å; V77-L104 WeakPolarHBondContact CA-O 2.81Å; V77-L104 HydrophobicContact CG1-CD2 4.34Å; V77-L104 HydrophobicContact CG2-CB 4.38Å; V77-L104 HydrophobicContact CG2-CD2 4.28Å; C78-L104 PolarHBondContact N-O 3.24Å; L104-L106 HydrophobicContact CD2-CD2 4.05Å; L104-L106 HydrophobicContact CG-CD2 4.15Å; L104-Y135 CarbonylContact C-O 3.48Å; L104-Y135 VanDerWaalsContact CA-O 3.32Å; L104-Y135 WeakPolarHBondContact CA-O 3.41Å; L104-L137 HydrophobicContact CD1-CD1 4.04Å; L104-L137 HydrophobicContact CD1-CD2 4.13Å; L104-L137 HydrophobicContact CD1-CG 3.77Å; L104-A180 HydrophobicContact CD1-CB 4Å; L104-A180 HydrophobicContact CD2-CB 3.88Å; L104-I182 HydrophobicContact CD2-CD1 4.22Å; L104-C188 HydrophobicContact CD2-CB 3.73Å
105F98.9Very high97.4Very high0 Ų031.5 Ų31.50%016%0.156CC..EExtended strand (participates in β ladder)trans-96.5135.6170.7-74.8-104.2000110.2C78 I81 L88 F92 Y103 Y109 L123 F134 Y135 I136 L137C78-F105 HydrophobicContact CB-CD1 3.46Å; C78-F105 VanDerWaalsContact CB-CD1 3.46Å; C78-F105 HydrophobicContact CB-CD2 4.35Å; C78-F105 HydrophobicContact CB-CE1 3.52Å; C78-F105 HydrophobicContact CB-CE2 4.39Å; C78-F105 HydrophobicContact CB-CG 3.9Å; C78-F105 HydrophobicContact CB-CZ 4.01Å; C78-F105 WeakPolarHBondContact O-CA 3.42Å; I81-F105 HydrophobicContact CD1-CE1 4.34Å; I81-F105 HydrophobicContact CG1-CD1 4.36Å; I81-F105 HydrophobicContact CG1-CE1 4.19Å; L88-F105 HydrophobicContact CD1-CE1 3.7Å; L88-F105 HydrophobicContact CD1-CZ 3.76Å; F92-F105 HydrophobicContact CE1-CE2 4.04Å; F92-F105 AromaticContact CE1-CZ 3.81Å; F92-F105 HydrophobicContact CE1-CZ 3.81Å; F92-F105 HydrophobicContact CZ-CE2 4.14Å; F92-F105 AromaticContact CZ-CZ 3.76Å; F92-F105 HydrophobicContact CZ-CZ 3.76Å; Y103-F105 AromaticContact CD1-CE2 3.93Å; Y103-F105 HydrophobicContact CD1-CE2 3.93Å; Y103-F105 HydrophobicContact CD1-CZ 4.43Å; Y103-F105 HydrophobicContact CG-CE2 4.15Å; F105-Y109 HydrophobicContact CB-CE1 3.65Å; F105-Y109 WeakPolarHBondContact CB-OH 3.4Å; F105-Y109 HydrophobicContact CD1-CE1 4.27Å; F105-Y109 HydrophobicContact CG-CE1 4.37Å; F105-Y109 PolarHBondContact O-OH 2.79Å; F105-Y109 VanDerWaalsContact O-OH 3.07Å; F105-L123 HydrophobicContact CD1-CD2 4.15Å; F105-L123 HydrophobicContact CD2-CD2 4.1Å; F105-L123 HydrophobicContact CE1-CD2 3.92Å; F105-L123 HydrophobicContact CE2-CD2 3.88Å; F105-L123 HydrophobicContact CG-CD2 4.25Å; F105-L123 HydrophobicContact CZ-CD2 3.79Å; F105-F134 HydrophobicContact CD2-CE1 4.2Å; F105-F134 HydrophobicContact CD2-CE2 4.42Å; F105-F134 AromaticContact CD2-CZ 3.81Å; F105-F134 HydrophobicContact CD2-CZ 3.81Å; F105-F134 HydrophobicContact CE2-CE1 4.22Å; F105-F134 AromaticContact CE2-CE2 3.79Å; F105-F134 HydrophobicContact CE2-CE2 3.79Å; F105-F134 AromaticContact CE2-CZ 3.38Å; F105-F134 HydrophobicContact CE2-CZ 3.38Å; F105-F134 HydrophobicContact CZ-CZ 4.25Å; F105-Y135 PolarHBondContact N-O 3.18Å; F105-I136 HydrophobicContact CB-CG2 4.1Å; F105-I136 HydrophobicContact CD2-CG2 4.37Å; F105-L137 WeakPolarHBondContact O-CB 3.43Å; F105-L137 PolarHBondContact O-N 2.98Å
106L98.9Very high97.6Very high0 Ų030.3 Ų30.30%015%0.151CC..  trans-88.7-20-170.5-63.4178.9000114.8V77 C78 L104 L137 C188 H190 V263 A265V77-L106 HydrophobicContact CG1-CD1 3.67Å; V77-L106 HydrophobicContact CG1-CD2 3.83Å; V77-L106 HydrophobicContact CG1-CG 3.71Å; C78-L106 WeakPolarHBondContact O-CG 3.35Å; C78-L106 PolarHBondContact O-N 3Å; L104-L106 HydrophobicContact CD2-CD2 4.05Å; L104-L106 HydrophobicContact CG-CD2 4.15Å; L106-L137 HydrophobicContact CD2-CD1 3.89Å; L106-C188 HydrophobicContact CD2-CB 3.88Å; L106-H190 VanDerWaalsContact O-CB 3.29Å; L106-H190 WeakPolarHBondContact O-CB 3.31Å; L106-V263 HydrophobicContact CD1-CG1 4.19Å; L106-A265 HydrophobicContact CB-CB 3.76Å; L106-A265 HydrophobicContact CD1-CB 3.94Å
107G98.8Very high97.7Very high0 Ų029.3 Ų29.30%014%0.14CC..SBendtrans143.6-175.8178.800000112.3Y109G107-Y109 VanDerWaalsContact C-CE1 3.49Å; G107-Y109 PolarHBondContact N-OH 3.31Å; G107-Y109 WeakPolarHBondContact O-CE1 3.3Å
108D98.8Very high97.8Very high1 Ų127.5 Ų27.51%0.00513%0.133CC..  trans57.662.1174.6-72.75.4000113.5D80 I81 H82 G139 N140 H141 E142 H190 H266D80-D108 HydrophobicContact CB-CB 4.12Å; I81-D108 PolarHBondContact N-O 2.99Å; H82-D108 IonicContact CE1-OD2 3.6Å; H82-D108 PolarHBondContact N-O 3.36Å; H82-D108 IonicContact NE2-OD2 3.56Å; D108-G139 WeakPolarHBondContact OD1-CA 3.18Å; D108-N140 PolarHBondContact OD1-N 3.26Å; D108-N140 PolarHBondContact OD1-OD1 3.49Å; D108-N140 VanDerWaalsContact OD1-OD1 3.04Å; D108-N140 PolarHBondContact OD2-OD1 3.31Å; D108-H141 HydrophobicContact CB-CB 4.39Å; D108-H141 VanDerWaalsContact CG-CD2 3.44Å; D108-H141 WeakPolarHBondContact OD1-CB 3.47Å; D108-H141 IonicContact OD1-CD2 2.66Å; D108-H141 PolarHBondContact OD1-CD2 3.39Å; D108-H141 IonicContact OD1-CG 2.65Å; D108-H141 PolarHBondContact OD1-N 2.92Å; D108-H141 IonicContact OD2-CD2 3.53Å; D108-H141 PolarHBondContact OD2-CD2 3.47Å; D108-H141 VanDerWaalsContact OD2-CD2 3.24Å; D108-E142 PolarHBondContact N-OE2 3.15Å; D108-H190 IonicContact OD1-CD2 2.82Å; D108-H190 IonicContact OD1-CE1 3.43Å; D108-H190 IonicContact OD1-NE2 3.05Å; D108-H190 PolarHBondContact OD1-NE2 3.33Å; D108-H190 VanDerWaalsContact OD1-NE2 3.09Å; D108-H190 IonicContact OD2-CE1 3.94Å; D108-H190 PolarHBondContact OD2-CE1 2.87Å; D108-H190 IonicContact OD2-NE2 2.74Å; D108-H190 PolarHBondContact OD2-NE2 2.83Å; D108-H266 IonicContact OD2-ND1 3.57Å
109Y98.9Very high98Very high0 Ų027.4 Ų27.40%013%0.133CC..  trans-86.9-36-179.5-49.1-40.8000111.6G83 F105 G107 V119 I120 L123 I136 L137 E142G83-Y109 PolarHBondContact N-O 3.09Å; F105-Y109 HydrophobicContact CB-CE1 3.65Å; F105-Y109 WeakPolarHBondContact CB-OH 3.4Å; F105-Y109 HydrophobicContact CD1-CE1 4.27Å; F105-Y109 HydrophobicContact CG-CE1 4.37Å; F105-Y109 PolarHBondContact O-OH 2.79Å; F105-Y109 VanDerWaalsContact O-OH 3.07Å; G107-Y109 VanDerWaalsContact C-CE1 3.49Å; G107-Y109 PolarHBondContact N-OH 3.31Å; G107-Y109 WeakPolarHBondContact O-CE1 3.3Å; Y109-V119 WeakPolarHBondContact O-CG1 3.13Å; Y109-I120 HydrophobicContact CD2-CD1 3.69Å; Y109-I120 HydrophobicContact CG-CD1 4.3Å; Y109-L123 HydrophobicContact CD1-CD1 3.57Å; Y109-L123 HydrophobicContact CD2-CD1 4.09Å; Y109-L123 HydrophobicContact CE1-CD1 4.03Å; Y109-L123 HydrophobicContact CE2-CD1 4.43Å; Y109-L123 HydrophobicContact CG-CD1 3.61Å; Y109-I136 HydrophobicContact CE2-CB 4.25Å; Y109-I136 WeakPolarHBondContact OH-CB 3.34Å; Y109-L137 WeakPolarHBondContact CE2-O 3.39Å; Y109-L137 PolarHBondContact OH-N 3.31Å; Y109-L137 VanDerWaalsContact OH-N 3.12Å; Y109-L137 PolarHBondContact OH-O 3.06Å; Y109-E142 HydrophobicContact CD2-CG 4.03Å; Y109-E142 PolarHBondContact N-OE1 3.21Å
110V98.8Very high98.1Very high0 Ų026 Ų260%012%0.123CC..SBendtrans-103.5176.8-173.7-560000112.3H82 I120 H141 E142 N147 F152 F173H82-V110 PolarHBondContact ND1-O 3.43Å; V110-I120 HydrophobicContact CG1-CB 4.1Å; V110-I120 HydrophobicContact CG1-CG2 4.34Å; V110-H141 HydrophobicContact CG2-CB 4.27Å; V110-E142 PolarHBondContact N-OE1 2.81Å; V110-N147 HydrophobicContact CG2-CB 4.15Å; V110-F152 HydrophobicContact CB-CB 3.95Å; V110-F152 HydrophobicContact CB-CD1 4.15Å; V110-F152 HydrophobicContact CB-CD2 3.9Å; V110-F152 HydrophobicContact CB-CE2 4.42Å; V110-F152 HydrophobicContact CB-CG 3.74Å; V110-F152 HydrophobicContact CG1-CD1 4.12Å; V110-F152 HydrophobicContact CG1-CD2 3.87Å; V110-F152 HydrophobicContact CG1-CE1 4.14Å; V110-F152 HydrophobicContact CG1-CE2 3.87Å; V110-F152 HydrophobicContact CG1-CG 3.99Å; V110-F152 HydrophobicContact CG1-CZ 4.01Å; V110-F152 HydrophobicContact CG2-CB 4.05Å; V110-F152 HydrophobicContact CG2-CD1 4.1Å; V110-F152 HydrophobicContact CG2-CG 4.04Å; V110-F173 HydrophobicContact CG1-CZ 3.93Å; V110-F173 HydrophobicContact CG2-CZ 4.47Å
111D98.4Very high98.2Very high0 Ų022.2 Ų22.20%010%0.1CC..SBendtrans68.3166.6-179.3-62.3-43.7000114.5H82 G113 S116 H141 N147 Y150 G151 F152H82-D111 CarbonylContact C-O 3.53Å; H82-D111 WeakPolarHBondContact CA-O 3.27Å; H82-D111 WeakPolarHBondContact CB-O 3.39Å; H82-D111 VanDerWaalsContact O-O 3.05Å; D111-G113 PolarHBondContact O-N 3.07Å; D111-S116 PolarHBondContact N-OG 2.99Å; D111-S116 VanDerWaalsContact N-OG 3.14Å; D111-H141 WeakPolarHBondContact CB-ND1 3.19Å; D111-H141 IonicContact OD2-CE1 3.97Å; D111-H141 IonicContact OD2-CG 3.68Å; D111-H141 IonicContact OD2-ND1 3.1Å; D111-H141 PolarHBondContact OD2-ND1 3.38Å; D111-N147 WeakPolarHBondContact OD1-CA 3.45Å; D111-N147 WeakPolarHBondContact OD2-CA 3.35Å; D111-N147 VanDerWaalsContact OD2-CB 3.29Å; D111-N147 WeakPolarHBondContact OD2-CB 3.42Å; D111-Y150 VanDerWaalsContact CG-CB 3.48Å; D111-Y150 VanDerWaalsContact OD1-C 3.25Å; D111-G151 PolarHBondContact OD1-N 3.32Å; D111-F152 VanDerWaalsContact OD1-CB 3.22Å; D111-F152 WeakPolarHBondContact OD1-CB 3.34Å; D111-F152 PolarHBondContact OD1-N 2.75Å
112R95.9Very high98.2Very high121 Ų12116 Ų1646%0.4578%0.077SC..SBendtrans66.2-53.5-178.8-42.8-64.1-169.192.710.4114.4H82 Y150 Y290H82-R112 HydrophobicContact CB-CB 4.16Å; H82-R112 HydrophobicContact CB-CG 4.31Å; R112-Y150 PolarHBondContact N-O 3.19Å; R112-Y150 VanDerWaalsContact N-O 3.14Å; R112-Y290 HydrophobicContact CB-CE2 4.26Å; R112-Y290 HydrophobicContact CG-CE2 4Å; R112-Y290 PolarHBondContact NH1-OH 2.72Å; R112-Y290 PolarHBondContact NH2-OH 2.98Å; R112-Y290 VanDerWaalsContact NH2-OH 3.14Å
113G94.7Very high98.3Very high24 Ų2413.6 Ų13.625%0.2477%0.068CC..SBendtrans-77.2176.8173.900000113H82 D111H82-G113 WeakPolarHBondContact O-CA 3.4Å; H82-G113 PolarHBondContact O-N 2.81Å; D111-G113 PolarHBondContact O-N 3.07Å
114I95.2Very high98.3Very high127 Ų12713.7 Ų13.765%0.6517%0.068SC*.SBendtrans-108.9-2.5-174.359.1161000113.9
115L98Very high98.3Very high12 Ų1213.7 Ų13.76%0.0637%0.068CC..  trans-124.636.6-179.9-64.4177.2000110.8A41 G83 Y85 L117 E118 V119A41-L115 HydrophobicContact CB-CD2 3.82Å; G83-L115 PolarHBondContact O-N 3.32Å; Y85-L115 HydrophobicContact CD1-CD1 4.26Å; Y85-L115 HydrophobicContact CG-CB 4.45Å; Y85-L115 HydrophobicContact CG-CD1 4.34Å; L115-L117 PolarHBondContact O-N 2.81Å; L115-E118 WeakPolarHBondContact CA-OE2 3.07Å; L115-E118 HydrophobicContact CB-CB 4.37Å; L115-E118 HydrophobicContact CD2-CG 4.42Å; L115-E118 WeakPolarHBondContact CD2-OE2 3.46Å; L115-E118 PolarHBondContact O-N 2.96Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 3.34Å
116S98.7Very high98.3Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-60-39.3178.7-51.60000111.3D111 V119 I120 E155D111-S116 PolarHBondContact N-OG 2.99Å; D111-S116 VanDerWaalsContact N-OG 3.14Å; S116-V119 PolarHBondContact O-N 2.79Å; S116-I120 VanDerWaalsContact O-CG2 3.31Å; S116-I120 WeakPolarHBondContact O-CG2 3.4Å; S116-I120 PolarHBondContact O-N 3.49Å; S116-E155 WeakPolarHBondContact CB-OE2 3.44Å; S116-E155 PolarHBondContact N-OE1 2.78Å; S116-E155 PolarHBondContact N-OE2 2.92Å; S116-E155 PolarHBondContact OG-OE2 3.43Å
117L98.6Very high98.2Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-61.5-44.8179177.163.1000111.4L46 L115 I120 T121 E155 V156 R160 F161 F169L46-L117 HydrophobicContact CD1-CD1 4.42Å; L46-L117 HydrophobicContact CD1-CD2 4.18Å; L46-L117 HydrophobicContact CD1-CG 3.8Å; L115-L117 PolarHBondContact O-N 2.81Å; L117-I120 WeakPolarHBondContact O-CG2 3.43Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 2.81Å; L117-T121 PolarHBondContact O-OG1 2.55Å; L117-E155 VanDerWaalsContact CB-OE1 3.31Å; L117-E155 WeakPolarHBondContact CB-OE1 3.47Å; L117-E155 PolarHBondContact N-OE1 2.9Å; L117-V156 HydrophobicContact CD1-CG2 4.45Å; L117-R160 HydrophobicContact CD2-CB 4.19Å; L117-R160 HydrophobicContact CD2-CG 4.28Å; L117-F161 HydrophobicContact CD2-CD2 3.88Å; L117-F161 HydrophobicContact CD2-CE2 3.41Å; L117-F161 VanDerWaalsContact CD2-CE2 3.41Å; L117-F161 HydrophobicContact CD2-CZ 4.43Å; L117-F169 HydrophobicContact CD1-CE2 3.63Å; L117-F169 HydrophobicContact CD1-CZ 3.67Å
118E98.7Very high98.2Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-66.5-42.9175.9-71.864.2-143.700111.7L35 V38 S44 L46 Y85 L115 L122 R160L35-E118 HydrophobicContact CD2-CG 4.23Å; V38-E118 HydrophobicContact CG1-CG 4.11Å; S44-E118 WeakPolarHBondContact CB-OE1 3.23Å; S44-E118 PolarHBondContact OG-OE1 3.15Å; L46-E118 HydrophobicContact CD1-CG 4.49Å; Y85-E118 HydrophobicContact CD1-CB 4.28Å; Y85-E118 HydrophobicContact CD2-CB 3.72Å; Y85-E118 HydrophobicContact CE1-CB 4.32Å; Y85-E118 HydrophobicContact CE2-CB 3.77Å; Y85-E118 HydrophobicContact CG-CB 3.98Å; L115-E118 WeakPolarHBondContact CA-OE2 3.07Å; L115-E118 HydrophobicContact CB-CB 4.37Å; L115-E118 HydrophobicContact CD2-CG 4.42Å; L115-E118 WeakPolarHBondContact CD2-OE2 3.46Å; L115-E118 PolarHBondContact O-N 2.96Å; E118-L122 VanDerWaalsContact O-CB 3.31Å; E118-L122 WeakPolarHBondContact O-CB 3.29Å; E118-L122 PolarHBondContact O-N 3.08Å; E118-R160 IonicContact OE1-CZ 2.73Å; E118-R160 VanDerWaalsContact OE1-CZ 3.25Å; E118-R160 IonicContact OE1-NH1 3.67Å; E118-R160 PolarHBondContact OE1-NH1 3.28Å; E118-R160 IonicContact OE1-NH2 2.68Å; E118-R160 PolarHBondContact OE1-NH2 3.18Å; E118-R160 IonicContact OE2-NH1 3.18Å; E118-R160 PolarHBondContact OE2-NH1 3.26Å; E118-R160 VanDerWaalsContact OE2-NH1 3.15Å
119V98.9Very high98.2Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-56-59175.6165.40000110.3I81 Y85 L88 Y109 L115 S116 T121 L122 L123I81-V119 HydrophobicContact CB-CG1 4.32Å; I81-V119 HydrophobicContact CG2-CB 4.49Å; I81-V119 HydrophobicContact CG2-CG1 3.77Å; I81-V119 HydrophobicContact CG2-CG2 3.82Å; Y85-V119 HydrophobicContact CD2-CG2 3.82Å; Y85-V119 HydrophobicContact CG-CG2 4.43Å; L88-V119 HydrophobicContact CD2-CB 4.28Å; L88-V119 HydrophobicContact CD2-CG1 4.14Å; L88-V119 HydrophobicContact CD2-CG2 4.15Å; Y109-V119 WeakPolarHBondContact O-CG1 3.13Å; L115-V119 WeakPolarHBondContact O-CG2 3.18Å; L115-V119 PolarHBondContact O-N 3.34Å; S116-V119 PolarHBondContact O-N 2.79Å; V119-T121 VanDerWaalsContact C-N 3.33Å; V119-T121 PolarHBondContact O-N 3.35Å; V119-L122 PolarHBondContact O-N 2.97Å; V119-L123 HydrophobicContact CG1-CD1 4.12Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.43Å; V119-L123 PolarHBondContact O-N 2.86Å; V119-L123 VanDerWaalsContact O-N 3.09Å
120I98.9Very high98.1Very high0 Ų015.3 Ų15.30%08%0.076CC..Hα-helixtrans-66.7-37.3-174.3-170.460000111.9Y109 V110 S116 L117 L123 L124 F152 F169 F173Y109-I120 HydrophobicContact CD2-CD1 3.69Å; Y109-I120 HydrophobicContact CG-CD1 4.3Å; V110-I120 HydrophobicContact CG1-CB 4.1Å; V110-I120 HydrophobicContact CG1-CG2 4.34Å; S116-I120 VanDerWaalsContact O-CG2 3.31Å; S116-I120 WeakPolarHBondContact O-CG2 3.4Å; S116-I120 PolarHBondContact O-N 3.49Å; L117-I120 WeakPolarHBondContact O-CG2 3.43Å; I120-L123 PolarHBondContact O-N 2.61Å; I120-L124 HydrophobicContact CD1-CD1 4.38Å; I120-L124 HydrophobicContact CD1-CG 4.25Å; I120-L124 HydrophobicContact CG1-CD1 3.91Å; I120-L124 HydrophobicContact CG1-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CB 3.25Å; I120-L124 VanDerWaalsContact O-CG 3.25Å; I120-L124 WeakPolarHBondContact O-CG 3.42Å; I120-L124 PolarHBondContact O-N 2.81Å; I120-F152 HydrophobicContact CG2-CE2 4.29Å; I120-F152 HydrophobicContact CG2-CZ 4.08Å; I120-F169 HydrophobicContact CG1-CD1 4.46Å; I120-F169 HydrophobicContact CG1-CE1 4.14Å; I120-F169 HydrophobicContact CG2-CD1 4.29Å; I120-F169 HydrophobicContact CG2-CE1 3.54Å; I120-F169 HydrophobicContact CG2-CZ 3.9Å; I120-F173 HydrophobicContact CD1-CE1 3.77Å; I120-F173 HydrophobicContact CD1-CZ 4.49Å; I120-F173 HydrophobicContact CG1-CE1 3.73Å; I120-F173 HydrophobicContact CG1-CZ 4.14Å
121T98.9Very high98Very high0 Ų016.4 Ų16.40%08%0.084CC..Hα-helixtrans-64.7-43.8179.1-58.80000111.2L35 L46 F50 L54 L117 V119 L124 L125L35-T121 HydrophobicContact CD1-CG2 4.26Å; L46-T121 HydrophobicContact CD1-CG2 4.09Å; L46-T121 HydrophobicContact CD2-CG2 3.65Å; F50-T121 HydrophobicContact CE1-CG2 4.37Å; L54-T121 HydrophobicContact CD2-CG2 3.65Å; L117-T121 WeakPolarHBondContact O-CB 3.42Å; L117-T121 PolarHBondContact O-N 2.81Å; L117-T121 PolarHBondContact O-OG1 2.55Å; V119-T121 VanDerWaalsContact C-N 3.33Å; V119-T121 PolarHBondContact O-N 3.35Å; T121-L124 PolarHBondContact O-N 3.07Å; T121-L125 HydrophobicContact CG2-CD1 4.1Å; T121-L125 WeakPolarHBondContact O-CG 3.43Å; T121-L125 PolarHBondContact O-N 2.77Å
122L98.9Very high97.9Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-64-41.8177.2-176.562.3000112I32 L35 Y85 L88 L89 F92 E118 V119 L125 F126I32-L122 HydrophobicContact CG1-CD1 4.08Å; I32-L122 HydrophobicContact CG2-CD1 4.28Å; L35-L122 HydrophobicContact CD1-CB 4.47Å; L35-L122 HydrophobicContact CD1-CD1 4.4Å; Y85-L122 HydrophobicContact CE2-CB 4.18Å; Y85-L122 HydrophobicContact CE2-CD2 3.74Å; L88-L122 HydrophobicContact CD2-CD2 4Å; L89-L122 HydrophobicContact CD2-CD2 3.79Å; F92-L122 HydrophobicContact CD2-CD2 4.44Å; F92-L122 HydrophobicContact CE2-CD2 4.02Å; E118-L122 VanDerWaalsContact O-CB 3.31Å; E118-L122 WeakPolarHBondContact O-CB 3.29Å; E118-L122 PolarHBondContact O-N 3.08Å; V119-L122 PolarHBondContact O-N 2.97Å; L122-L125 PolarHBondContact O-N 3.33Å; L122-F126 HydrophobicContact CD1-CD2 4.11Å; L122-F126 HydrophobicContact CD1-CE2 3.53Å; L122-F126 HydrophobicContact CD1-CZ 3.92Å; L122-F126 HydrophobicContact CD2-CE2 4.09Å; L122-F126 HydrophobicContact CG-CD2 4.02Å; L122-F126 HydrophobicContact CG-CE2 3.61Å; L122-F126 HydrophobicContact CG-CZ 4.47Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.08Å; L122-F126 PolarHBondContact O-N 3.43Å; L122-F126 VanDerWaalsContact O-N 3.1Å
123L98.9Very high98Very high0 Ų017.4 Ų17.40%09%0.094CC..Hα-helixtrans-61.9-43.4175.9-67179.4000111.8L88 F92 F105 Y109 V119 I120 F126 K127 F134 I136L88-L123 HydrophobicContact CD1-CD2 3.99Å; L88-L123 HydrophobicContact CD2-CD2 4.39Å; L88-L123 HydrophobicContact CD2-CG 4.45Å; F92-L123 HydrophobicContact CZ-CD2 4.29Å; F105-L123 HydrophobicContact CD1-CD2 4.15Å; F105-L123 HydrophobicContact CD2-CD2 4.1Å; F105-L123 HydrophobicContact CE1-CD2 3.92Å; F105-L123 HydrophobicContact CE2-CD2 3.88Å; F105-L123 HydrophobicContact CG-CD2 4.25Å; F105-L123 HydrophobicContact CZ-CD2 3.79Å; Y109-L123 HydrophobicContact CD1-CD1 3.57Å; Y109-L123 HydrophobicContact CD2-CD1 4.09Å; Y109-L123 HydrophobicContact CE1-CD1 4.03Å; Y109-L123 HydrophobicContact CE2-CD1 4.43Å; Y109-L123 HydrophobicContact CG-CD1 3.61Å; V119-L123 HydrophobicContact CG1-CD1 4.12Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.43Å; V119-L123 PolarHBondContact O-N 2.86Å; V119-L123 VanDerWaalsContact O-N 3.09Å; I120-L123 PolarHBondContact O-N 2.61Å; L123-F126 PolarHBondContact O-N 2.78Å; L123-K127 PolarHBondContact O-N 2.84Å; L123-F134 HydrophobicContact CB-CE1 4.26Å; L123-F134 HydrophobicContact CD2-CE1 3.79Å; L123-F134 HydrophobicContact CD2-CZ 3.52Å; L123-F134 WeakPolarHBondContact O-CE1 3.38Å; L123-I136 HydrophobicContact CB-CG2 4.38Å
124L98.9Very high98.2Very high2 Ų216.3 Ų16.31%0.018%0.082CC..Hα-helixtrans-68.5-35.7178.2-68.1172.5000112.1L54 L55 A58 L62 I120 T121 K127 T128 I136 F169 T172L54-L124 HydrophobicContact CD2-CB 4.26Å; L55-L124 HydrophobicContact CD2-CD1 3.6Å; A58-L124 HydrophobicContact CB-CB 4.05Å; A58-L124 HydrophobicContact CB-CD2 3.93Å; A58-L124 HydrophobicContact CB-CG 4.39Å; L62-L124 HydrophobicContact CD1-CD2 3.99Å; I120-L124 HydrophobicContact CD1-CD1 4.38Å; I120-L124 HydrophobicContact CD1-CG 4.25Å; I120-L124 HydrophobicContact CG1-CD1 3.91Å; I120-L124 HydrophobicContact CG1-CG 4.24Å; I120-L124 WeakPolarHBondContact O-CB 3.25Å; I120-L124 VanDerWaalsContact O-CG 3.25Å; I120-L124 WeakPolarHBondContact O-CG 3.42Å; I120-L124 PolarHBondContact O-N 2.81Å; T121-L124 PolarHBondContact O-N 3.07Å; L124-K127 PolarHBondContact O-N 3.48Å; L124-T128 WeakPolarHBondContact O-CB 3.18Å; L124-T128 PolarHBondContact O-N 3.33Å; L124-T128 PolarHBondContact O-OG1 2.89Å; L124-I136 HydrophobicContact CD2-CD1 3.74Å; L124-F169 HydrophobicContact CD1-CE1 4.16Å; L124-T172 HydrophobicContact CD1-CG2 4.21Å; L124-T172 HydrophobicContact CD2-CG2 4.2Å
125L98.8Very high98.4Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-59.3-49172-77.8162.8000111.1F28 M31 I32 L35 F50 L54 T121 L122 T128 L129F28-L125 HydrophobicContact CB-CD2 3.54Å; F28-L125 HydrophobicContact CD1-CD2 3.83Å; F28-L125 HydrophobicContact CD2-CD2 4.19Å; F28-L125 HydrophobicContact CG-CD2 3.58Å; M31-L125 HydrophobicContact CB-CD1 4.39Å; M31-L125 HydrophobicContact CG-CD1 4.02Å; I32-L125 HydrophobicContact CD1-CB 4.1Å; I32-L125 HydrophobicContact CG1-CB 4.04Å; I32-L125 HydrophobicContact CG1-CD1 4.03Å; L35-L125 HydrophobicContact CD1-CD1 3.51Å; F50-L125 HydrophobicContact CE1-CD2 4.48Å; F50-L125 HydrophobicContact CZ-CD1 4.49Å; F50-L125 HydrophobicContact CZ-CD2 3.94Å; L54-L125 HydrophobicContact CD1-CD2 3.65Å; L54-L125 HydrophobicContact CD1-CG 4.05Å; L54-L125 HydrophobicContact CD2-CD1 4.47Å; L54-L125 HydrophobicContact CD2-CD2 4.01Å; L54-L125 HydrophobicContact CD2-CG 3.73Å; L54-L125 HydrophobicContact CG-CD2 4.41Å; T121-L125 HydrophobicContact CG2-CD1 4.1Å; T121-L125 WeakPolarHBondContact O-CG 3.43Å; T121-L125 PolarHBondContact O-N 2.77Å; L122-L125 PolarHBondContact O-N 3.33Å; L125-T128 PolarHBondContact O-N 2.85Å; L125-L129 WeakPolarHBondContact O-CB 3.34Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.98Å
126F98.7Very high98.4Very high1 Ų110.6 Ų10.60%0.0045%0.051CC..Hα-helixtrans-65.8-40.6177.5-71.2-49.6000113.2I32 F92 W97 P98 L122 L123 T128 Y130 F134I32-F126 HydrophobicContact CD1-CD1 3.95Å; I32-F126 HydrophobicContact CD1-CE1 3.72Å; I32-F126 HydrophobicContact CD1-CZ 4.4Å; I32-F126 HydrophobicContact CG1-CE1 4.47Å; I32-F126 HydrophobicContact CG2-CE1 4.2Å; I32-F126 HydrophobicContact CG2-CZ 4.06Å; F92-F126 HydrophobicContact CD2-CE2 4.07Å; F92-F126 HydrophobicContact CE2-CD2 4.15Å; F92-F126 AromaticContact CE2-CE2 3.67Å; F92-F126 HydrophobicContact CE2-CE2 3.67Å; F92-F126 HydrophobicContact CZ-CD2 4.15Å; F92-F126 HydrophobicContact CZ-CE2 4.08Å; W97-F126 HydrophobicContact CE3-CE2 4.44Å; W97-F126 AromaticContact CE3-CZ 3.84Å; W97-F126 HydrophobicContact CE3-CZ 3.84Å; W97-F126 HydrophobicContact CZ3-CE2 4.4Å; W97-F126 HydrophobicContact CZ3-CZ 4.05Å; P98-F126 HydrophobicContact CB-CD1 3.91Å; P98-F126 HydrophobicContact CB-CE1 4.26Å; P98-F126 HydrophobicContact CB-CG 4.23Å; P98-F126 HydrophobicContact CG-CB 4.49Å; P98-F126 HydrophobicContact CG-CD1 3.99Å; P98-F126 HydrophobicContact CG-CD2 4.1Å; P98-F126 HydrophobicContact CG-CE1 4.18Å; P98-F126 HydrophobicContact CG-CE2 4.29Å; P98-F126 HydrophobicContact CG-CG 3.96Å; P98-F126 HydrophobicContact CG-CZ 4.34Å; L122-F126 HydrophobicContact CD1-CD2 4.11Å; L122-F126 HydrophobicContact CD1-CE2 3.53Å; L122-F126 HydrophobicContact CD1-CZ 3.92Å; L122-F126 HydrophobicContact CD2-CE2 4.09Å; L122-F126 HydrophobicContact CG-CD2 4.02Å; L122-F126 HydrophobicContact CG-CE2 3.61Å; L122-F126 HydrophobicContact CG-CZ 4.47Å; L122-F126 VanDerWaalsContact O-CD2 3.3Å; L122-F126 WeakPolarHBondContact O-CD2 3.08Å; L122-F126 PolarHBondContact O-N 3.43Å; L122-F126 VanDerWaalsContact O-N 3.1Å; L123-F126 PolarHBondContact O-N 2.78Å; F126-T128 VanDerWaalsContact C-N 3.26Å; F126-T128 PolarHBondContact O-N 2.89Å; F126-Y130 AromaticContact CD1-CD2 3.88Å; F126-Y130 HydrophobicContact CD1-CD2 3.88Å; F126-Y130 AromaticContact CD1-CE2 3.75Å; F126-Y130 HydrophobicContact CD1-CE2 3.75Å; F126-Y130 HydrophobicContact CE1-CE2 4.24Å; F126-Y130 WeakPolarHBondContact O-CA 3.36Å; F126-Y130 WeakPolarHBondContact O-CB 3.14Å; F126-Y130 PolarHBondContact O-N 3.1Å; F126-F134 HydrophobicContact CB-CB 4.25Å; F126-F134 HydrophobicContact CB-CD1 3.66Å; F126-F134 HydrophobicContact CB-CD2 3.7Å; F126-F134 HydrophobicContact CB-CE1 3.83Å; F126-F134 HydrophobicContact CB-CE2 3.87Å; F126-F134 HydrophobicContact CB-CG 3.59Å; F126-F134 HydrophobicContact CB-CZ 3.92Å; F126-F134 HydrophobicContact CD2-CE2 4.07Å; F126-F134 HydrophobicContact CD2-CZ 4.1Å; F126-F134 HydrophobicContact CG-CD2 4.35Å; F126-F134 HydrophobicContact CG-CE2 4.22Å; F126-F134 HydrophobicContact CG-CZ 4.43Å
127K98.6Very high98.4Very high0 Ų010.6 Ų10.60%05%0.051CC..Hα-helixtrans-61.3-37.7173.5172.259.2-164.81760111.7S61 L62 D65 L123 L124 P131 F134 I136S61-K127 WeakPolarHBondContact O-CE 3.47Å; S61-K127 VanDerWaalsContact OG-CE 3.26Å; S61-K127 WeakPolarHBondContact OG-CE 3.44Å; S61-K127 PolarHBondContact OG-O 3.26Å; L62-K127 HydrophobicContact CD2-CD 4.29Å; L62-K127 HydrophobicContact CD2-CG 3.85Å; L62-K127 HydrophobicContact CG-CG 4.33Å; D65-K127 IonicContact OD1-NZ 3.15Å; D65-K127 PolarHBondContact OD1-NZ 3.33Å; D65-K127 WeakPolarHBondContact OD2-CE 3.49Å; D65-K127 IonicContact OD2-NZ 2.79Å; D65-K127 PolarHBondContact OD2-NZ 3.17Å; L123-K127 PolarHBondContact O-N 2.84Å; L124-K127 PolarHBondContact O-N 3.48Å; K127-P131 PolarHBondContact NZ-O 2.97Å; K127-P131 VanDerWaalsContact O-CA 3.31Å; K127-P131 WeakPolarHBondContact O-CA 3.41Å; K127-F134 HydrophobicContact CB-CD1 4.2Å; K127-F134 WeakPolarHBondContact CD-O 3.46Å; K127-I136 HydrophobicContact CB-CD1 4.43Å
128T98.2Very high98.4Very high5 Ų510.7 Ų10.73%0.0315%0.052CC..Hα-helixtrans-72.1-47.4-178.6-60.40000111.1I20 F28 L54 A58 L124 L125 F126I20-T128 HydrophobicContact CD1-CG2 3.48Å; I20-T128 VanDerWaalsContact CD1-CG2 3.48Å; I20-T128 WeakPolarHBondContact CD1-O 3.37Å; I20-T128 HydrophobicContact CG1-CG2 4.34Å; F28-T128 HydrophobicContact CD2-CG2 4.12Å; F28-T128 HydrophobicContact CE2-CG2 3.8Å; L54-T128 HydrophobicContact CD1-CG2 4.49Å; A58-T128 WeakPolarHBondContact CA-OG1 3.46Å; A58-T128 WeakPolarHBondContact CB-OG1 3.05Å; L124-T128 WeakPolarHBondContact O-CB 3.18Å; L124-T128 PolarHBondContact O-N 3.33Å; L124-T128 PolarHBondContact O-OG1 2.89Å; L125-T128 PolarHBondContact O-N 2.85Å; F126-T128 VanDerWaalsContact C-N 3.26Å; F126-T128 PolarHBondContact O-N 2.89Å
129L97.8Very high98.4Very high17 Ų1710.7 Ų10.79%0.0895%0.052CC..Hα-helixtrans-73.7-35.5179.8-69.7172.2000113.3I25 F28 I32 L125 P131I25-L129 HydrophobicContact CB-CD2 4.38Å; I25-L129 HydrophobicContact CG1-CD2 4.38Å; I25-L129 HydrophobicContact CG2-CD2 4.11Å; F28-L129 HydrophobicContact CB-CD1 4.06Å; F28-L129 HydrophobicContact CB-CD2 4.09Å; F28-L129 HydrophobicContact CB-CG 4.25Å; F28-L129 HydrophobicContact CD2-CD2 4.36Å; I32-L129 HydrophobicContact CD1-CD1 3.49Å; I32-L129 VanDerWaalsContact CD1-CD1 3.49Å; L125-L129 WeakPolarHBondContact O-CB 3.34Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.98Å; L129-P131 WeakPolarHBondContact O-CD 3.18Å
130Y97.7Very high98.4Very high12 Ų1210.9 Ų10.95%0.0475%0.053CC..  trans-127.257.5-171.8-47.6-58000112.6I8 P98 P99 F126 K132 D133 F134I8-Y130 WeakPolarHBondContact CA-OH 3.28Å; I8-Y130 VanDerWaalsContact CG2-OH 3.26Å; I8-Y130 WeakPolarHBondContact CG2-OH 3.33Å; I8-Y130 PolarHBondContact O-OH 2.78Å; P98-Y130 HydrophobicContact CB-CD2 3.96Å; P98-Y130 HydrophobicContact CB-CE2 4.4Å; P99-Y130 HydrophobicContact CB-CD1 3.73Å; P99-Y130 HydrophobicContact CB-CD2 4.36Å; P99-Y130 HydrophobicContact CB-CE1 4.17Å; P99-Y130 HydrophobicContact CB-CG 3.84Å; P99-Y130 HydrophobicContact CG-CD1 3.8Å; P99-Y130 HydrophobicContact CG-CE1 3.72Å; P99-Y130 HydrophobicContact CG-CG 4.3Å; F126-Y130 AromaticContact CD1-CD2 3.88Å; F126-Y130 HydrophobicContact CD1-CD2 3.88Å; F126-Y130 AromaticContact CD1-CE2 3.75Å; F126-Y130 HydrophobicContact CD1-CE2 3.75Å; F126-Y130 HydrophobicContact CE1-CE2 4.24Å; F126-Y130 WeakPolarHBondContact O-CA 3.36Å; F126-Y130 WeakPolarHBondContact O-CB 3.14Å; F126-Y130 PolarHBondContact O-N 3.1Å; Y130-K132 PolarHBondContact O-N 3.47Å; Y130-D133 PolarHBondContact O-N 3.08Å; Y130-F134 PolarHBondContact O-N 3.02Å
131P97.2Very high98.4Very high24 Ų2411.1 Ų11.116%0.1565%0.054CC..THydrogen-bonded Turntrans-61.9-21.6-170.624.1-35000114.5K127 L129K127-P131 PolarHBondContact NZ-O 2.97Å; K127-P131 VanDerWaalsContact O-CA 3.31Å; K127-P131 WeakPolarHBondContact O-CA 3.41Å; L129-P131 WeakPolarHBondContact O-CD 3.18Å
132K96.3Very high98.4Very high94 Ų9411.1 Ų11.141%0.4095%0.054SC..THydrogen-bonded Turntrans-89.9-9.4178.4-69.8177177.8165.60113.7T15 Q16 R102 Y130 Y135T15-K132 PolarHBondContact O-NZ 3.23Å; Q16-K132 VanDerWaalsContact NE2-CD 3.33Å; R102-K132 PolarHBondContact NE-O 2.82Å; R102-K132 PolarHBondContact NH2-O 2.8Å; R102-K132 VanDerWaalsContact NH2-O 3.17Å; Y130-K132 PolarHBondContact O-N 3.47Å; K132-Y135 WeakPolarHBondContact O-CE2 3.36Å; K132-Y135 VanDerWaalsContact O-CZ 3.3Å; K132-Y135 PolarHBondContact O-OH 2.99Å
133D97.7Very high98.4Very high48 Ų4811.2 Ų11.226%0.2575%0.054SC..THydrogen-bonded Turntrans-125.7-16.3-174.6-62.8-61.9000113.4P99 R102 Y103 Y130P99-D133 HydrophobicContact CB-CB 4.28Å; R102-D133 CarbonylContact C-O 3.55Å; R102-D133 WeakPolarHBondContact CA-O 3.44Å; R102-D133 WeakPolarHBondContact CD-OD1 3.4Å; R102-D133 HydrophobicContact CG-CB 3.99Å; R102-D133 VanDerWaalsContact CG-OD1 3.24Å; R102-D133 WeakPolarHBondContact CG-OD1 3.36Å; R102-D133 IonicContact NE-OD1 3.25Å; R102-D133 PolarHBondContact NE-OD1 3.3Å; R102-D133 VanDerWaalsContact NE-OD1 3.1Å; Y103-D133 PolarHBondContact N-O 3.15Å; Y130-D133 PolarHBondContact O-N 3.08Å
134F98.6Very high98.3Very high0 Ų014.6 Ų14.60%07%0.071CC..EExtended strand (participates in β ladder)trans-125.5113.1-178.9-156.6-89.6000111.4F92 P98 Y103 F105 L123 F126 K127 Y130 I136F92-F134 AromaticContact CE1-CE2 3.81Å; F92-F134 HydrophobicContact CE1-CE2 3.81Å; F92-F134 HydrophobicContact CE1-CZ 4.22Å; F92-F134 AromaticContact CZ-CE2 3.91Å; F92-F134 HydrophobicContact CZ-CE2 3.91Å; F92-F134 AromaticContact CZ-CZ 3.91Å; F92-F134 HydrophobicContact CZ-CZ 3.91Å; P98-F134 HydrophobicContact CB-CD2 3.88Å; P98-F134 HydrophobicContact CB-CE2 4.42Å; P98-F134 HydrophobicContact CG-CD2 3.47Å; P98-F134 VanDerWaalsContact CG-CD2 3.47Å; P98-F134 HydrophobicContact CG-CE2 3.52Å; Y103-F134 HydrophobicContact CD2-CD2 4.09Å; Y103-F134 HydrophobicContact CD2-CE2 4.05Å; Y103-F134 HydrophobicContact CG-CD2 4.24Å; Y103-F134 HydrophobicContact CG-CE2 4Å; F105-F134 HydrophobicContact CD2-CE1 4.2Å; F105-F134 HydrophobicContact CD2-CE2 4.42Å; F105-F134 AromaticContact CD2-CZ 3.81Å; F105-F134 HydrophobicContact CD2-CZ 3.81Å; F105-F134 HydrophobicContact CE2-CE1 4.22Å; F105-F134 AromaticContact CE2-CE2 3.79Å; F105-F134 HydrophobicContact CE2-CE2 3.79Å; F105-F134 AromaticContact CE2-CZ 3.38Å; F105-F134 HydrophobicContact CE2-CZ 3.38Å; F105-F134 HydrophobicContact CZ-CZ 4.25Å; L123-F134 HydrophobicContact CB-CE1 4.26Å; L123-F134 HydrophobicContact CD2-CE1 3.79Å; L123-F134 HydrophobicContact CD2-CZ 3.52Å; L123-F134 WeakPolarHBondContact O-CE1 3.38Å; F126-F134 HydrophobicContact CB-CB 4.25Å; F126-F134 HydrophobicContact CB-CD1 3.66Å; F126-F134 HydrophobicContact CB-CD2 3.7Å; F126-F134 HydrophobicContact CB-CE1 3.83Å; F126-F134 HydrophobicContact CB-CE2 3.87Å; F126-F134 HydrophobicContact CB-CG 3.59Å; F126-F134 HydrophobicContact CB-CZ 3.92Å; F126-F134 HydrophobicContact CD2-CE2 4.07Å; F126-F134 HydrophobicContact CD2-CZ 4.1Å; F126-F134 HydrophobicContact CG-CD2 4.35Å; F126-F134 HydrophobicContact CG-CE2 4.22Å; F126-F134 HydrophobicContact CG-CZ 4.43Å; K127-F134 HydrophobicContact CB-CD1 4.2Å; K127-F134 WeakPolarHBondContact CD-O 3.46Å; Y130-F134 PolarHBondContact O-N 3.02Å; F134-I136 HydrophobicContact CD1-CG2 4Å; F134-I136 HydrophobicContact CE1-CG2 3.62Å
135Y98.9Very high98.2Very high20 Ų2017.1 Ų17.18%0.0789%0.089CC..EExtended strand (participates in β ladder)trans-119.3136.8-176.2-55-86.5000110I69 L71 I75 R102 Y103 L104 F105 K132I69-Y135 HydrophobicContact CD1-CD1 4Å; I69-Y135 HydrophobicContact CG2-CD1 3.85Å; I69-Y135 HydrophobicContact CG2-CE1 3.89Å; L71-Y135 HydrophobicContact CD1-CD2 4.31Å; L71-Y135 HydrophobicContact CD1-CG 4.32Å; L71-Y135 HydrophobicContact CD2-CD1 3.75Å; L71-Y135 HydrophobicContact CD2-CD2 3.67Å; L71-Y135 HydrophobicContact CD2-CE1 3.47Å; L71-Y135 VanDerWaalsContact CD2-CE1 3.47Å; L71-Y135 HydrophobicContact CD2-CE2 3.44Å; L71-Y135 VanDerWaalsContact CD2-CE2 3.44Å; L71-Y135 HydrophobicContact CD2-CG 3.82Å; I75-Y135 HydrophobicContact CD1-CD2 4.33Å; R102-Y135 PolarHBondContact NH2-OH 3.44Å; Y103-Y135 WeakPolarHBondContact O-CD2 3.31Å; Y103-Y135 PolarHBondContact O-N 2.85Å; L104-Y135 CarbonylContact C-O 3.48Å; L104-Y135 VanDerWaalsContact CA-O 3.32Å; L104-Y135 WeakPolarHBondContact CA-O 3.41Å; F105-Y135 PolarHBondContact N-O 3.18Å; K132-Y135 WeakPolarHBondContact O-CE2 3.36Å; K132-Y135 VanDerWaalsContact O-CZ 3.3Å; K132-Y135 PolarHBondContact O-OH 2.99Å
136I98.9Very high98.2Very high0 Ų017.4 Ų17.40%09%0.091CC..EExtended strand (participates in β ladder)trans-131.8132.1177.661.7174.5000108.5L62 F105 Y109 L123 L124 K127 F134 L176 P177L62-I136 HydrophobicContact CD2-CD1 4.09Å; L62-I136 HydrophobicContact CD2-CG1 3.84Å; F105-I136 HydrophobicContact CB-CG2 4.1Å; F105-I136 HydrophobicContact CD2-CG2 4.37Å; Y109-I136 HydrophobicContact CE2-CB 4.25Å; Y109-I136 WeakPolarHBondContact OH-CB 3.34Å; L123-I136 HydrophobicContact CB-CG2 4.38Å; L124-I136 HydrophobicContact CD2-CD1 3.74Å; K127-I136 HydrophobicContact CB-CD1 4.43Å; F134-I136 HydrophobicContact CD1-CG2 4Å; F134-I136 HydrophobicContact CE1-CG2 3.62Å; I136-L176 HydrophobicContact CD1-CD2 3.67Å; I136-L176 HydrophobicContact CG1-CD2 3.71Å; I136-P177 WeakPolarHBondContact O-CD 3.18Å
137L98.9Very high98.2Very high0 Ų017.4 Ų17.40%09%0.091CC..  trans-101.2169.4176.5-57.3-176000110.3I69 L104 F105 L106 Y109 P177 A180I69-L137 HydrophobicContact CD1-CD2 3.83Å; I69-L137 HydrophobicContact CG1-CD2 4.46Å; L104-L137 HydrophobicContact CD1-CD1 4.04Å; L104-L137 HydrophobicContact CD1-CD2 4.13Å; L104-L137 HydrophobicContact CD1-CG 3.77Å; F105-L137 WeakPolarHBondContact O-CB 3.43Å; F105-L137 PolarHBondContact O-N 2.98Å; L106-L137 HydrophobicContact CD2-CD1 3.89Å; Y109-L137 WeakPolarHBondContact CE2-O 3.39Å; Y109-L137 PolarHBondContact OH-N 3.31Å; Y109-L137 VanDerWaalsContact OH-N 3.12Å; Y109-L137 PolarHBondContact OH-O 3.06Å; L137-P177 CarbonylContact C-O 3.48Å; L137-P177 WeakPolarHBondContact CA-O 3.41Å; L137-P177 HydrophobicContact CD2-CB 3.92Å; L137-A180 HydrophobicContact CD1-CB 4.3Å; L137-A180 HydrophobicContact CD2-CB 4.33Å
138R98.9Very high98.2Very high1 Ų124 Ų240%0.00412%0.115CC..  trans-84.1130.5174.8-161.8174.1-175.1166.48.9110.6E142 F173 N174 L176 P177 L178 I210 L222R138-E142 HydrophobicContact CG-CB 3.92Å; R138-E142 PolarHBondContact NE-O 2.88Å; R138-E142 PolarHBondContact NH2-O 2.91Å; R138-F173 PolarHBondContact NE-O 3.02Å; R138-N174 PolarHBondContact NH1-OD1 3.22Å; R138-N174 PolarHBondContact NH2-OD1 2.89Å; R138-L176 HydrophobicContact CB-CB 3.71Å; R138-L176 HydrophobicContact CB-CD1 4.25Å; R138-L176 HydrophobicContact CG-CB 4.08Å; R138-L176 HydrophobicContact CG-CD1 4.07Å; R138-P177 PolarHBondContact N-O 3Å; R138-L178 HydrophobicContact CB-CD2 4.15Å; R138-I210 PolarHBondContact NH1-O 2.58Å; R138-L222 HydrophobicContact CB-CD2 4.41Å; R138-L222 HydrophobicContact CG-CD1 4.15Å; R138-L222 WeakPolarHBondContact O-CD2 3.46Å
139G98.8Very high98.2Very high0 Ų029.5 Ų29.50%014%0.144CC..  trans-96.5177161.800000112.4D108 H141 E142 H190D108-G139 WeakPolarHBondContact OD1-CA 3.18Å; G139-H141 VanDerWaalsContact C-N 3.28Å; G139-E142 WeakPolarHBondContact CA-OE2 3.38Å; G139-E142 PolarHBondContact N-OE2 2.71Å; G139-E142 PolarHBondContact O-N 2.87Å; G139-H190 VanDerWaalsContact CA-CD2 3.46Å; G139-H190 WeakPolarHBondContact CA-CD2 3.18Å
140N98.6Very high98.2Very high4 Ų433.8 Ų33.82%0.02116%0.159CC..SBendtrans-73-24.5176.363.7-58000112D108 E142 A143 V146 H190 L222 W223 H266D108-N140 PolarHBondContact OD1-N 3.26Å; D108-N140 PolarHBondContact OD1-OD1 3.49Å; D108-N140 VanDerWaalsContact OD1-OD1 3.04Å; D108-N140 PolarHBondContact OD2-OD1 3.31Å; N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 3.4Å; N140-A143 VanDerWaalsContact O-CB 3.25Å; N140-A143 WeakPolarHBondContact O-CB 3.49Å; N140-A143 PolarHBondContact O-N 3.24Å; N140-V146 WeakPolarHBondContact O-CB 3.48Å; N140-V146 VanDerWaalsContact O-CG2 3.25Å; N140-V146 WeakPolarHBondContact O-CG2 3.36Å; N140-H190 PolarHBondContact N-CD2 2.65Å; N140-H190 PolarHBondContact OD1-CD2 3.12Å; N140-H190 PolarHBondContact OD1-NE2 2.89Å; N140-L222 HydrophobicContact CB-CB 4.19Å; N140-W223 HydrophobicContact CB-CD2 3.93Å; N140-W223 VanDerWaalsContact CB-CE2 3.43Å; N140-W223 HydrophobicContact CB-CG 4.24Å; N140-W223 HydrophobicContact CB-CZ2 3.8Å; N140-W223 WeakPolarHBondContact ND2-CH2 3.05Å; N140-W223 WeakPolarHBondContact ND2-CZ2 3.39Å; N140-H266 PolarHBondContact OD1-CE1 3.18Å; N140-H266 VanDerWaalsContact OD1-CE1 3.24Å; N140-H266 PolarHBondContact OD1-ND1 3.06Å
141H98.7Very high98.1Very high6 Ų634.5 Ų34.53%0.02817%0.17CC..THydrogen-bonded Turntrans-73.5-17.5172.8-76.3-97000113H82 D108 V110 D111 G139 A143 V146 N147 Y150H82-H141 AromaticContact CE1-CD2 3.52Å; H82-H141 AromaticContact CE1-CE1 3.86Å; H82-H141 AromaticContact CE1-CG 3.72Å; H82-H141 AromaticContact CE1-ND1 3.94Å; H82-H141 AromaticContact CE1-NE2 3.61Å; D108-H141 HydrophobicContact CB-CB 4.39Å; D108-H141 VanDerWaalsContact CG-CD2 3.44Å; D108-H141 WeakPolarHBondContact OD1-CB 3.47Å; D108-H141 IonicContact OD1-CD2 2.66Å; D108-H141 PolarHBondContact OD1-CD2 3.39Å; D108-H141 IonicContact OD1-CG 2.65Å; D108-H141 PolarHBondContact OD1-N 2.92Å; D108-H141 IonicContact OD2-CD2 3.53Å; D108-H141 PolarHBondContact OD2-CD2 3.47Å; D108-H141 VanDerWaalsContact OD2-CD2 3.24Å; V110-H141 HydrophobicContact CG2-CB 4.27Å; D111-H141 WeakPolarHBondContact CB-ND1 3.19Å; D111-H141 IonicContact OD2-CE1 3.97Å; D111-H141 IonicContact OD2-CG 3.68Å; D111-H141 IonicContact OD2-ND1 3.1Å; D111-H141 PolarHBondContact OD2-ND1 3.38Å; G139-H141 VanDerWaalsContact C-N 3.28Å; H141-A143 PolarHBondContact O-N 3.02Å; H141-V146 HydrophobicContact CB-CG1 4.4Å; H141-N147 VanDerWaalsContact O-CB 3.28Å; H141-N147 WeakPolarHBondContact O-CB 3.19Å; H141-N147 PolarHBondContact O-ND2 2.88Å; H141-N147 VanDerWaalsContact O-ND2 3.12Å; H141-Y150 AromaticContact CE1-CD2 3.97Å; H141-Y150 AromaticContact CE1-CG 3.75Å
142E98.8Very high98.2Very high0 Ų033.3 Ų33.30%016%0.163CC..THydrogen-bonded Turntrans-82.632.1166.3-68.670.3-132.600112.1D108 Y109 V110 R138 G139 N140 F173 L176D108-E142 PolarHBondContact N-OE2 3.15Å; Y109-E142 HydrophobicContact CD2-CG 4.03Å; Y109-E142 PolarHBondContact N-OE1 3.21Å; V110-E142 PolarHBondContact N-OE1 2.81Å; R138-E142 HydrophobicContact CG-CB 3.92Å; R138-E142 PolarHBondContact NE-O 2.88Å; R138-E142 PolarHBondContact NH2-O 2.91Å; G139-E142 WeakPolarHBondContact CA-OE2 3.38Å; G139-E142 PolarHBondContact N-OE2 2.71Å; G139-E142 PolarHBondContact O-N 2.87Å; N140-E142 VanDerWaalsContact C-N 3.27Å; N140-E142 PolarHBondContact O-N 3.4Å; E142-F173 HydrophobicContact CB-CB 4.08Å; E142-F173 HydrophobicContact CB-CD1 3.98Å; E142-F173 HydrophobicContact CB-CD2 4.14Å; E142-F173 HydrophobicContact CB-CE1 4.43Å; E142-F173 HydrophobicContact CB-CG 3.82Å; E142-F173 HydrophobicContact CG-CD1 3.73Å; E142-F173 HydrophobicContact CG-CD2 4.36Å; E142-F173 HydrophobicContact CG-CE1 3.74Å; E142-F173 HydrophobicContact CG-CE2 4.38Å; E142-F173 HydrophobicContact CG-CG 4.06Å; E142-F173 HydrophobicContact CG-CZ 4.08Å; E142-F173 WeakPolarHBondContact O-CB 3.28Å; E142-L176 HydrophobicContact CB-CD1 3.79Å; E142-L176 HydrophobicContact CG-CD1 3.76Å
143A98.4Very high98.3Very high1 Ų131.4 Ų31.41%0.00816%0.155CC..SBendtrans-119135.1169.700000111.2N140 H141 S145 V146 N147 L212N140-A143 VanDerWaalsContact O-CB 3.25Å; N140-A143 WeakPolarHBondContact O-CB 3.49Å; N140-A143 PolarHBondContact O-N 3.24Å; H141-A143 PolarHBondContact O-N 3.02Å; A143-S145 VanDerWaalsContact C-N 3.26Å; A143-S145 PolarHBondContact O-N 3.14Å; A143-V146 HydrophobicContact CB-CG2 4.22Å; A143-V146 PolarHBondContact O-N 2.86Å; A143-N147 PolarHBondContact O-N 3.43Å; A143-N147 PolarHBondContact O-ND2 2.86Å; A143-L212 HydrophobicContact CB-CB 4.17Å; A143-L212 HydrophobicContact CB-CD2 3.46Å; A143-L212 VanDerWaalsContact CB-CD2 3.46Å; A143-L212 HydrophobicContact CB-CG 4.46Å
144M97.9Very high98.3Very high71 Ų7137.2 Ų37.235%0.3517%0.173SC..Hα-helixtrans-56.4-36.6-176.7-176.4-173.6-154.500113.8V146 R148 W166 Y167 Q170M144-V146 VanDerWaalsContact C-N 3.27Å; M144-V146 PolarHBondContact O-N 2.74Å; M144-R148 WeakPolarHBondContact O-CB 3.23Å; M144-R148 PolarHBondContact O-N 3Å; M144-W166 HydrophobicContact CE-CH2 3.49Å; M144-W166 VanDerWaalsContact CE-CH2 3.49Å; M144-W166 HydrophobicContact CE-CZ3 3.55Å; M144-W166 HydrophobicContact CG-CH2 3.54Å; M144-W166 HydrophobicContact CG-CZ2 3.89Å; M144-W166 HydrophobicContact CG-CZ3 4.48Å; M144-W166 HydrophobicContact SD-CH2 4.39Å; M144-Y167 HydrophobicContact CE-CD1 3.64Å; M144-Y167 HydrophobicContact CE-CE1 3.31Å; M144-Q170 VanDerWaalsContact CA-OE1 3.27Å; M144-Q170 HydrophobicContact CB-CG 4.15Å; M144-Q170 HydrophobicContact CE-CG 4.46Å; M144-Q170 HydrophobicContact CG-CG 4Å
145S96.9Very high98.3Very high55 Ų5537.7 Ų37.739%0.38518%0.175SC..Hα-helixtrans-65.3-32.5178.4490000112.3A143A143-S145 VanDerWaalsContact C-N 3.26Å; A143-S145 PolarHBondContact O-N 3.14Å
146V98.3Very high98.3Very high7 Ų736.8 Ų36.84%0.04217%0.171CC..Hα-helixtrans-84.1-60.4-177.6-177.70000110N140 H141 A143 M144 R148 I149 Y150 W223N140-V146 WeakPolarHBondContact O-CB 3.48Å; N140-V146 VanDerWaalsContact O-CG2 3.25Å; N140-V146 WeakPolarHBondContact O-CG2 3.36Å; H141-V146 HydrophobicContact CB-CG1 4.4Å; A143-V146 HydrophobicContact CB-CG2 4.22Å; A143-V146 PolarHBondContact O-N 2.86Å; M144-V146 VanDerWaalsContact C-N 3.27Å; M144-V146 PolarHBondContact O-N 2.74Å; V146-R148 PolarHBondContact O-N 2.77Å; V146-I149 PolarHBondContact O-N 3.26Å; V146-Y150 HydrophobicContact CB-CD2 4.43Å; V146-Y150 HydrophobicContact CG1-CD2 3.47Å; V146-Y150 VanDerWaalsContact CG1-CD2 3.47Å; V146-Y150 HydrophobicContact CG1-CE2 3.84Å; V146-Y150 HydrophobicContact CG1-CG 4.44Å; V146-Y150 VanDerWaalsContact O-CD2 3.31Å; V146-Y150 WeakPolarHBondContact O-CD2 3.21Å; V146-Y150 PolarHBondContact O-N 3.42Å; V146-Y150 VanDerWaalsContact O-N 3.15Å; V146-W223 HydrophobicContact CG2-CH2 4.21Å; V146-W223 HydrophobicContact CG2-CZ2 3.59Å
147N98.5Very high98.3Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-70.6-8-1747240.7000115V110 D111 H141 A143 I149 F152 K153 W166 Q170V110-N147 HydrophobicContact CG2-CB 4.15Å; D111-N147 WeakPolarHBondContact OD1-CA 3.45Å; D111-N147 WeakPolarHBondContact OD2-CA 3.35Å; D111-N147 VanDerWaalsContact OD2-CB 3.29Å; D111-N147 WeakPolarHBondContact OD2-CB 3.42Å; H141-N147 VanDerWaalsContact O-CB 3.28Å; H141-N147 WeakPolarHBondContact O-CB 3.19Å; H141-N147 PolarHBondContact O-ND2 2.88Å; H141-N147 VanDerWaalsContact O-ND2 3.12Å; A143-N147 PolarHBondContact O-N 3.43Å; A143-N147 PolarHBondContact O-ND2 2.86Å; N147-I149 VanDerWaalsContact C-N 3.25Å; N147-F152 HydrophobicContact CB-CB 3.93Å; N147-F152 HydrophobicContact CB-CD1 4.34Å; N147-K153 WeakPolarHBondContact O-CB 3.37Å; N147-K153 PolarHBondContact O-N 3.15Å; N147-W166 VanDerWaalsContact OD1-CZ2 3.31Å; N147-W166 WeakPolarHBondContact OD1-CZ2 3.32Å; N147-W166 PolarHBondContact OD1-NE1 3.17Å; N147-Q170 PolarHBondContact ND2-OE1 3.26Å; N147-Q170 PolarHBondContact OD1-OE1 3.39Å
148R98.1Very high98.2Very high138 Ų13843 Ų4352%0.52121%0.211SC..Hα-helixtrans-64.4-30.2164.1177.517571.3-1733.7112.8M144 V146 K153 W166M144-R148 WeakPolarHBondContact O-CB 3.23Å; M144-R148 PolarHBondContact O-N 3Å; V146-R148 PolarHBondContact O-N 2.77Å; R148-K153 HydrophobicContact CB-CD 4.21Å; R148-K153 HydrophobicContact CG-CD 3.79Å; R148-W166 HydrophobicContact CB-CH2 4.32Å; R148-W166 HydrophobicContact CB-CZ2 4.02Å
149I97.7Very high98.1Very high121 Ų12148.1 Ų48.162%0.62124%0.238SC*.Hα-helixtrans-107.2-39-169.9-55.9174.8000111V146 N147V146-I149 PolarHBondContact O-N 3.26Å; N147-I149 VanDerWaalsContact C-N 3.25Å
150Y97.7Very high98Very high107 Ų10750.7 Ų50.742%0.4225%0.247SC..Hα-helixtrans-90.4-0.9-167.8-71.5-84.3000116.3D111 R112 H141 V146D111-Y150 VanDerWaalsContact CG-CB 3.48Å; D111-Y150 VanDerWaalsContact OD1-C 3.25Å; R112-Y150 PolarHBondContact N-O 3.19Å; R112-Y150 VanDerWaalsContact N-O 3.14Å; H141-Y150 AromaticContact CE1-CD2 3.97Å; H141-Y150 AromaticContact CE1-CG 3.75Å; V146-Y150 HydrophobicContact CB-CD2 4.43Å; V146-Y150 HydrophobicContact CG1-CD2 3.47Å; V146-Y150 VanDerWaalsContact CG1-CD2 3.47Å; V146-Y150 HydrophobicContact CG1-CE2 3.84Å; V146-Y150 HydrophobicContact CG1-CG 4.44Å; V146-Y150 VanDerWaalsContact O-CD2 3.31Å; V146-Y150 WeakPolarHBondContact O-CD2 3.21Å; V146-Y150 PolarHBondContact O-N 3.42Å; V146-Y150 VanDerWaalsContact O-N 3.15Å
151G96.7Very high98Very high27 Ų2752.9 Ų52.928%0.27826%0.257SS..SBendtrans142.4-39.516500000115.5D111 K153 R154 E155D111-G151 PolarHBondContact OD1-N 3.32Å; G151-K153 VanDerWaalsContact C-N 3.34Å; G151-K153 PolarHBondContact O-N 2.65Å; G151-R154 WeakPolarHBondContact O-CB 3.38Å; G151-R154 PolarHBondContact O-N 3.22Å; G151-E155 PolarHBondContact O-N 3.18Å
152F98.7Very high97.9Very high0 Ų055 Ų550%027%0.27CS..Hα-helixtrans-61.2-40.8-168.1-173.7-130.2000112.7V110 D111 I120 N147 R154 E155 V156 W166 F169 F173V110-F152 HydrophobicContact CB-CB 3.95Å; V110-F152 HydrophobicContact CB-CD1 4.15Å; V110-F152 HydrophobicContact CB-CD2 3.9Å; V110-F152 HydrophobicContact CB-CE2 4.42Å; V110-F152 HydrophobicContact CB-CG 3.74Å; V110-F152 HydrophobicContact CG1-CD1 4.12Å; V110-F152 HydrophobicContact CG1-CD2 3.87Å; V110-F152 HydrophobicContact CG1-CE1 4.14Å; V110-F152 HydrophobicContact CG1-CE2 3.87Å; V110-F152 HydrophobicContact CG1-CG 3.99Å; V110-F152 HydrophobicContact CG1-CZ 4.01Å; V110-F152 HydrophobicContact CG2-CB 4.05Å; V110-F152 HydrophobicContact CG2-CD1 4.1Å; V110-F152 HydrophobicContact CG2-CG 4.04Å; D111-F152 VanDerWaalsContact OD1-CB 3.22Å; D111-F152 WeakPolarHBondContact OD1-CB 3.34Å; D111-F152 PolarHBondContact OD1-N 2.75Å; I120-F152 HydrophobicContact CG2-CE2 4.29Å; I120-F152 HydrophobicContact CG2-CZ 4.08Å; N147-F152 HydrophobicContact CB-CB 3.93Å; N147-F152 HydrophobicContact CB-CD1 4.34Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.48Å; F152-E155 WeakPolarHBondContact O-CB 3.38Å; F152-E155 PolarHBondContact O-N 2.81Å; F152-V156 HydrophobicContact CD2-CG2 3.77Å; F152-V156 HydrophobicContact CE1-CG2 4.22Å; F152-V156 HydrophobicContact CE2-CG2 3.37Å; F152-V156 HydrophobicContact CG-CG2 4.37Å; F152-V156 HydrophobicContact CZ-CG2 3.63Å; F152-V156 WeakPolarHBondContact O-CG2 3.39Å; F152-V156 PolarHBondContact O-N 2.95Å; F152-W166 AromaticContact CD1-CD1 3.94Å; F152-F169 HydrophobicContact CE1-CB 3.87Å; F152-F169 HydrophobicContact CE1-CD1 4.41Å; F152-F169 HydrophobicContact CE1-CD2 4.15Å; F152-F169 AromaticContact CE1-CG 3.91Å; F152-F169 HydrophobicContact CE1-CG 3.91Å; F152-F169 HydrophobicContact CZ-CB 4.29Å; F152-F169 HydrophobicContact CZ-CD1 4.11Å; F152-F169 AromaticContact CZ-CD2 3.77Å; F152-F169 HydrophobicContact CZ-CD2 3.77Å; F152-F169 HydrophobicContact CZ-CE1 4.37Å; F152-F169 HydrophobicContact CZ-CE2 4.06Å; F152-F169 AromaticContact CZ-CG 3.8Å; F152-F169 HydrophobicContact CZ-CG 3.8Å; F152-F169 HydrophobicContact CZ-CZ 4.35Å; F152-F173 HydrophobicContact CD1-CE2 4.02Å; F152-F173 HydrophobicContact CD1-CZ 4.37Å; F152-F173 AromaticContact CE1-CE2 3.64Å; F152-F173 HydrophobicContact CE1-CE2 3.64Å; F152-F173 AromaticContact CE1-CZ 3.73Å; F152-F173 HydrophobicContact CE1-CZ 3.73Å; F152-F173 HydrophobicContact CZ-CZ 4.29Å
153K98.6Very high97.9Very high54 Ų5459.9 Ų59.924%0.23529%0.291CS..Hα-helixtrans-57.6-47.1174.1-177.6-178.8173.5-162.40111.9N147 R148 G151 S157 W166N147-K153 WeakPolarHBondContact O-CB 3.37Å; N147-K153 PolarHBondContact O-N 3.15Å; R148-K153 HydrophobicContact CB-CD 4.21Å; R148-K153 HydrophobicContact CG-CD 3.79Å; G151-K153 VanDerWaalsContact C-N 3.34Å; G151-K153 PolarHBondContact O-N 2.65Å; K153-S157 VanDerWaalsContact O-CB 3.27Å; K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 2.87Å; K153-S157 PolarHBondContact O-OG 3.06Å; K153-W166 VanDerWaalsContact CA-CD1 3.42Å; K153-W166 HydrophobicContact CB-CD2 4.06Å; K153-W166 HydrophobicContact CB-CG 4.19Å; K153-W166 HydrophobicContact CB-CZ2 4.03Å; K153-W166 HydrophobicContact CD-CD2 4.19Å; K153-W166 HydrophobicContact CD-CE3 4.25Å; K153-W166 HydrophobicContact CD-CH2 3.95Å; K153-W166 HydrophobicContact CD-CZ2 3.9Å; K153-W166 HydrophobicContact CD-CZ3 4.13Å; K153-W166 HydrophobicContact CG-CD2 3.7Å; K153-W166 HydrophobicContact CG-CE3 4.15Å; K153-W166 HydrophobicContact CG-CG 4.02Å; K153-W166 HydrophobicContact CG-CH2 4.48Å; K153-W166 HydrophobicContact CG-CZ2 4.08Å
154R98.4Very high97.9Very high170 Ų17064.3 Ų64.364%0.64232%0.318SS*.Hα-helixtrans-65.2-43.1179.3176.4-178.3164.1-154.8-4.7110.5G151 F152 T158 L159G151-R154 WeakPolarHBondContact O-CB 3.38Å; G151-R154 PolarHBondContact O-N 3.22Å; F152-R154 VanDerWaalsContact C-N 3.33Å; F152-R154 PolarHBondContact O-N 3.48Å; R154-T158 WeakPolarHBondContact O-CA 3.5Å; R154-T158 VanDerWaalsContact O-CB 3.31Å; R154-T158 WeakPolarHBondContact O-CB 3.38Å; R154-T158 PolarHBondContact O-N 2.86Å; R154-L159 HydrophobicContact CG-CG 4.5Å; R154-L159 PolarHBondContact O-N 3.43Å; R154-L159 VanDerWaalsContact O-N 3.17Å
155E98.4Very high97.9Very high10 Ų1061 Ų615%0.04730%0.302CS..Iπ-helixtrans-53.9-59.2175.7-169.3-175.5139.700110.4S116 L117 G151 F152 L159 R160S116-E155 WeakPolarHBondContact CB-OE2 3.44Å; S116-E155 PolarHBondContact N-OE1 2.78Å; S116-E155 PolarHBondContact N-OE2 2.92Å; S116-E155 PolarHBondContact OG-OE2 3.43Å; L117-E155 VanDerWaalsContact CB-OE1 3.31Å; L117-E155 WeakPolarHBondContact CB-OE1 3.47Å; L117-E155 PolarHBondContact N-OE1 2.9Å; G151-E155 PolarHBondContact O-N 3.18Å; F152-E155 WeakPolarHBondContact O-CB 3.38Å; F152-E155 PolarHBondContact O-N 2.81Å; E155-L159 WeakPolarHBondContact O-CB 3.22Å; E155-L159 PolarHBondContact O-N 3.21Å; E155-R160 HydrophobicContact CG-CG 4.28Å; E155-R160 WeakPolarHBondContact O-CB 3.32Å; E155-R160 VanDerWaalsContact O-CG 3.24Å; E155-R160 WeakPolarHBondContact O-CG 3.4Å; E155-R160 PolarHBondContact O-N 3.08Å
156V98.6Very high98Very high0 Ų058.4 Ų58.40%028%0.284CS..Iπ-helixtrans-67.7-48.4-176.7178.60000112.4L117 F152 F161 T162 L165 W166L117-V156 HydrophobicContact CD1-CG2 4.45Å; F152-V156 HydrophobicContact CD2-CG2 3.77Å; F152-V156 HydrophobicContact CE1-CG2 4.22Å; F152-V156 HydrophobicContact CE2-CG2 3.37Å; F152-V156 HydrophobicContact CG-CG2 4.37Å; F152-V156 HydrophobicContact CZ-CG2 3.63Å; F152-V156 WeakPolarHBondContact O-CG2 3.39Å; F152-V156 PolarHBondContact O-N 2.95Å; V156-F161 CarbonylContact O-C 3.27Å; V156-F161 VanDerWaalsContact O-C 3.27Å; V156-F161 WeakPolarHBondContact O-CA 3.34Å; V156-F161 PolarHBondContact O-N 3.44Å; V156-T162 PolarHBondContact O-N 3.1Å; V156-L165 HydrophobicContact CG1-CB 3.93Å; V156-L165 HydrophobicContact CG1-CD2 3.96Å; V156-L165 HydrophobicContact CG1-CG 3.86Å; V156-W166 HydrophobicContact CB-CB 4.13Å; V156-W166 HydrophobicContact CG1-CB 3.89Å
157S98Very high98Very high27 Ų2763 Ų6319%0.18930%0.301CS..Iπ-helixtrans-91.5-16.3-16769.10000116.1K153K153-S157 VanDerWaalsContact O-CB 3.27Å; K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 2.87Å; K153-S157 PolarHBondContact O-OG 3.06Å
158T96.9Very high98Very high104 Ų10465.9 Ų65.964%0.63831%0.312SS*.Iπ-helixtrans-118.8-36.8-178.2-510000112.2R154R154-T158 WeakPolarHBondContact O-CA 3.5Å; R154-T158 VanDerWaalsContact O-CB 3.31Å; R154-T158 WeakPolarHBondContact O-CB 3.38Å; R154-T158 PolarHBondContact O-N 2.86Å
159L97.2Very high98.1Very high108 Ų10859.3 Ų59.357%0.56529%0.287SS*.Iπ-helixtrans-97.2-26.6-173.3-57.7179.8000113.7R154 E155R154-L159 HydrophobicContact CG-CG 4.5Å; R154-L159 PolarHBondContact O-N 3.43Å; R154-L159 VanDerWaalsContact O-N 3.17Å; E155-L159 WeakPolarHBondContact O-CB 3.22Å; E155-L159 PolarHBondContact O-N 3.21Å
160R97.1Very high98.1Very high55 Ų5554 Ų5421%0.20826%0.259CS..Iπ-helixtrans-119.4-58-168.7-56.7-62.6-64.1-75.8-9.2113.4S44 L117 E118 E155S44-R160 PolarHBondContact OG-NH2 3.3Å; L117-R160 HydrophobicContact CD2-CB 4.19Å; L117-R160 HydrophobicContact CD2-CG 4.28Å; E118-R160 IonicContact OE1-CZ 2.73Å; E118-R160 VanDerWaalsContact OE1-CZ 3.25Å; E118-R160 IonicContact OE1-NH1 3.67Å; E118-R160 PolarHBondContact OE1-NH1 3.28Å; E118-R160 IonicContact OE1-NH2 2.68Å; E118-R160 PolarHBondContact OE1-NH2 3.18Å; E118-R160 IonicContact OE2-NH1 3.18Å; E118-R160 PolarHBondContact OE2-NH1 3.26Å; E118-R160 VanDerWaalsContact OE2-NH1 3.15Å; E155-R160 HydrophobicContact CG-CG 4.28Å; E155-R160 WeakPolarHBondContact O-CB 3.32Å; E155-R160 VanDerWaalsContact O-CG 3.24Å; E155-R160 WeakPolarHBondContact O-CG 3.4Å; E155-R160 PolarHBondContact O-N 3.08Å
161F97.6Very high98.2Very high49 Ų4951.5 Ų51.522%0.21526%0.258CS..SBendtrans-138.1-122.8-171.6-58.8-59.8000110.5L46 E48 L117 V156 L165L46-F161 HydrophobicContact CB-CE2 4.44Å; L46-F161 HydrophobicContact CB-CZ 4.15Å; L46-F161 VanDerWaalsContact O-CZ 3.29Å; L46-F161 WeakPolarHBondContact O-CZ 3.16Å; E48-F161 HydrophobicContact CB-CB 4.35Å; E48-F161 HydrophobicContact CB-CD1 3.86Å; E48-F161 HydrophobicContact CB-CE1 4.32Å; E48-F161 HydrophobicContact CB-CG 4.09Å; L117-F161 HydrophobicContact CD2-CD2 3.88Å; L117-F161 HydrophobicContact CD2-CE2 3.41Å; L117-F161 VanDerWaalsContact CD2-CE2 3.41Å; L117-F161 HydrophobicContact CD2-CZ 4.43Å; V156-F161 CarbonylContact O-C 3.27Å; V156-F161 VanDerWaalsContact O-C 3.27Å; V156-F161 WeakPolarHBondContact O-CA 3.34Å; V156-F161 PolarHBondContact O-N 3.44Å; F161-L165 HydrophobicContact CB-CD2 3.95Å; F161-L165 HydrophobicContact CD2-CD2 3.33Å; F161-L165 HydrophobicContact CE2-CD2 4.02Å; F161-L165 HydrophobicContact CG-CD2 3.91Å
162T97.9Very high98.3Very high50 Ų5050.2 Ų50.231%0.30725%0.245SC..  trans-126.4165.5-174.879.20000112.5E48 V156 V164 L165 W166E48-T162 PolarHBondContact OE1-OG1 3.5Å; E48-T162 VanDerWaalsContact OE2-CG2 3.26Å; E48-T162 WeakPolarHBondContact OE2-CG2 3.43Å; V156-T162 PolarHBondContact O-N 3.1Å; T162-V164 PolarHBondContact O-N 3.43Å; T162-V164 WeakPolarHBondContact OG1-CB 3.49Å; T162-V164 PolarHBondContact OG1-N 2.97Å; T162-V164 VanDerWaalsContact OG1-N 3.09Å; T162-L165 PolarHBondContact O-N 3.4Å; T162-L165 PolarHBondContact OG1-N 3.05Å; T162-W166 PolarHBondContact O-N 2.81Å
163K98.1Very high98.3Very high104 Ų10450.3 Ų50.345%0.45225%0.245SC..Hα-helixtrans-61.9-27169.9-161.6-172180-163.80112.5W166 Y167K163-W166 PolarHBondContact O-N 2.66Å; K163-Y167 HydrophobicContact CD-CE2 3.75Å; K163-Y167 VanDerWaalsContact CE-CE2 3.42Å; K163-Y167 VanDerWaalsContact CE-OH 3.22Å; K163-Y167 WeakPolarHBondContact CE-OH 3.31Å; K163-Y167 HydrophobicContact CG-CD2 4.07Å; K163-Y167 HydrophobicContact CG-CE2 3.66Å; K163-Y167 PolarHBondContact NZ-OH 3.2Å; K163-Y167 WeakPolarHBondContact O-CD2 3.19Å; K163-Y167 PolarHBondContact O-N 2.69Å; K163-Y167 VanDerWaalsContact O-N 3.13Å
164V98.3Very high98.3Very high94 Ų9448.7 Ų48.757%0.5724%0.239SC*.Hα-helixtrans-63.9-47.8179.2177.90000109.9T162 W166 Y167 R168T162-V164 PolarHBondContact O-N 3.43Å; T162-V164 WeakPolarHBondContact OG1-CB 3.49Å; T162-V164 PolarHBondContact OG1-N 2.97Å; T162-V164 VanDerWaalsContact OG1-N 3.09Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 2.61Å; V164-Y167 PolarHBondContact O-N 3.19Å; V164-Y167 VanDerWaalsContact O-N 3.16Å; V164-R168 PolarHBondContact O-N 3.12Å
165L98.6Very high98.3Very high0 Ų040.7 Ų40.70%021%0.209CC..Hα-helixtrans-60.3-40.2176.8-178.459.9000112.5E48 V51 L52 L55 V156 F161 T162 Y167 R168 F169E48-L165 HydrophobicContact CG-CB 4.28Å; E48-L165 HydrophobicContact CG-CD2 4.25Å; V51-L165 HydrophobicContact CB-CD1 4.13Å; V51-L165 HydrophobicContact CB-CD2 4.43Å; V51-L165 HydrophobicContact CG1-CD1 3.76Å; V51-L165 HydrophobicContact CG1-CD2 4.37Å; L52-L165 HydrophobicContact CD2-CD1 3.76Å; L52-L165 HydrophobicContact CG-CD1 4.04Å; L55-L165 HydrophobicContact CD1-CD1 4.18Å; V156-L165 HydrophobicContact CG1-CB 3.93Å; V156-L165 HydrophobicContact CG1-CD2 3.96Å; V156-L165 HydrophobicContact CG1-CG 3.86Å; F161-L165 HydrophobicContact CB-CD2 3.95Å; F161-L165 HydrophobicContact CD2-CD2 3.33Å; F161-L165 HydrophobicContact CE2-CD2 4.02Å; F161-L165 HydrophobicContact CG-CD2 3.91Å; T162-L165 PolarHBondContact O-N 3.4Å; T162-L165 PolarHBondContact OG1-N 3.05Å; L165-Y167 VanDerWaalsContact C-N 3.35Å; L165-Y167 PolarHBondContact O-N 3.32Å; L165-R168 WeakPolarHBondContact O-CB 3.37Å; L165-R168 PolarHBondContact O-N 2.86Å; L165-R168 VanDerWaalsContact O-N 3.15Å; L165-F169 HydrophobicContact CD1-CD2 4.2Å; L165-F169 HydrophobicContact CD1-CE2 3.95Å; L165-F169 HydrophobicContact CD2-CE2 4.24Å; L165-F169 HydrophobicContact CG-CD2 4.05Å; L165-F169 HydrophobicContact CG-CE2 3.86Å; L165-F169 WeakPolarHBondContact O-CD2 3.25Å; L165-F169 PolarHBondContact O-N 2.86Å
166W98.7Very high98.3Very high2 Ų240.3 Ų40.31%0.00821%0.207CC..Hα-helixtrans-61.4-41.6175.9176.174.3000112.4M144 N147 R148 F152 K153 V156 T162 K163 V164 R168 F169 Q170M144-W166 HydrophobicContact CE-CH2 3.49Å; M144-W166 VanDerWaalsContact CE-CH2 3.49Å; M144-W166 HydrophobicContact CE-CZ3 3.55Å; M144-W166 HydrophobicContact CG-CH2 3.54Å; M144-W166 HydrophobicContact CG-CZ2 3.89Å; M144-W166 HydrophobicContact CG-CZ3 4.48Å; M144-W166 HydrophobicContact SD-CH2 4.39Å; N147-W166 VanDerWaalsContact OD1-CZ2 3.31Å; N147-W166 WeakPolarHBondContact OD1-CZ2 3.32Å; N147-W166 PolarHBondContact OD1-NE1 3.17Å; R148-W166 HydrophobicContact CB-CH2 4.32Å; R148-W166 HydrophobicContact CB-CZ2 4.02Å; F152-W166 AromaticContact CD1-CD1 3.94Å; K153-W166 VanDerWaalsContact CA-CD1 3.42Å; K153-W166 HydrophobicContact CB-CD2 4.06Å; K153-W166 HydrophobicContact CB-CG 4.19Å; K153-W166 HydrophobicContact CB-CZ2 4.03Å; K153-W166 HydrophobicContact CD-CD2 4.19Å; K153-W166 HydrophobicContact CD-CE3 4.25Å; K153-W166 HydrophobicContact CD-CH2 3.95Å; K153-W166 HydrophobicContact CD-CZ2 3.9Å; K153-W166 HydrophobicContact CD-CZ3 4.13Å; K153-W166 HydrophobicContact CG-CD2 3.7Å; K153-W166 HydrophobicContact CG-CE3 4.15Å; K153-W166 HydrophobicContact CG-CG 4.02Å; K153-W166 HydrophobicContact CG-CH2 4.48Å; K153-W166 HydrophobicContact CG-CZ2 4.08Å; V156-W166 HydrophobicContact CB-CB 4.13Å; V156-W166 HydrophobicContact CG1-CB 3.89Å; T162-W166 PolarHBondContact O-N 2.81Å; K163-W166 PolarHBondContact O-N 2.66Å; V164-W166 VanDerWaalsContact C-N 3.32Å; V164-W166 PolarHBondContact O-N 2.61Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 2.88Å; W166-F169 PolarHBondContact O-N 3.25Å; W166-Q170 HydrophobicContact CD2-CG 4.37Å; W166-Q170 HydrophobicContact CH2-CG 4.39Å; W166-Q170 HydrophobicContact CZ2-CG 4.18Å; W166-Q170 WeakPolarHBondContact O-CG 3.42Å; W166-Q170 PolarHBondContact O-N 3.1Å; W166-Q170 PolarHBondContact O-NE2 2.98Å
167Y98.6Very high98.3Very high102 Ų10240.3 Ų40.340%0.421%0.207SC..Hα-helixtrans-63.2-37.8174.2-78.3-68.6000112.1M144 K163 V164 L165 Q170 S171M144-Y167 HydrophobicContact CE-CD1 3.64Å; M144-Y167 HydrophobicContact CE-CE1 3.31Å; K163-Y167 HydrophobicContact CD-CE2 3.75Å; K163-Y167 VanDerWaalsContact CE-CE2 3.42Å; K163-Y167 VanDerWaalsContact CE-OH 3.22Å; K163-Y167 WeakPolarHBondContact CE-OH 3.31Å; K163-Y167 HydrophobicContact CG-CD2 4.07Å; K163-Y167 HydrophobicContact CG-CE2 3.66Å; K163-Y167 PolarHBondContact NZ-OH 3.2Å; K163-Y167 WeakPolarHBondContact O-CD2 3.19Å; K163-Y167 PolarHBondContact O-N 2.69Å; K163-Y167 VanDerWaalsContact O-N 3.13Å; V164-Y167 PolarHBondContact O-N 3.19Å; V164-Y167 VanDerWaalsContact O-N 3.16Å; L165-Y167 VanDerWaalsContact C-N 3.35Å; L165-Y167 PolarHBondContact O-N 3.32Å; Y167-Q170 WeakPolarHBondContact O-CB 3.34Å; Y167-Q170 PolarHBondContact O-N 2.95Å; Y167-S171 PolarHBondContact O-N 2.94Å
168R98.7Very high98.4Very high62 Ų6239 Ų3923%0.23420%0.198CC..Hα-helixtrans-62.4-43.2175.4-72.6-65.3-45.2-83.8-0112L52 L55 D56 E59 V164 L165 W166 Q170 S171 T172L52-R168 HydrophobicContact CD2-CB 3.96Å; L52-R168 HydrophobicContact CD2-CG 3.57Å; L55-R168 HydrophobicContact CD1-CB 3.73Å; D56-R168 IonicContact OD1-CZ 2.71Å; D56-R168 IonicContact OD1-NH1 2.72Å; D56-R168 IonicContact OD1-NH2 2.8Å; D56-R168 PolarHBondContact OD1-NH2 2.78Å; E59-R168 IonicContact OE1-NH2 3.36Å; V164-R168 PolarHBondContact O-N 3.12Å; L165-R168 WeakPolarHBondContact O-CB 3.37Å; L165-R168 PolarHBondContact O-N 2.86Å; L165-R168 VanDerWaalsContact O-N 3.15Å; W166-R168 VanDerWaalsContact C-N 3.31Å; W166-R168 PolarHBondContact O-N 2.88Å; R168-Q170 PolarHBondContact O-N 3.07Å; R168-S171 WeakPolarHBondContact O-CB 3.47Å; R168-S171 PolarHBondContact O-N 2.84Å; R168-S171 VanDerWaalsContact O-N 3.1Å; R168-T172 PolarHBondContact O-N 3.03Å; R168-T172 VanDerWaalsContact O-N 3.08Å; R168-T172 PolarHBondContact O-OG1 3.41Å
169F98.9Very high98.5Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-57.7-34.4170.5-84.9-69.6000113V51 L55 L117 I120 L124 F152 L165 W166 S171 T172 F173V51-F169 HydrophobicContact CG1-CE1 4.42Å; V51-F169 HydrophobicContact CG1-CE2 3.83Å; V51-F169 HydrophobicContact CG1-CZ 3.5Å; V51-F169 VanDerWaalsContact CG1-CZ 3.5Å; L55-F169 HydrophobicContact CD1-CD1 4.25Å; L55-F169 HydrophobicContact CD1-CD2 4.44Å; L55-F169 HydrophobicContact CD1-CE1 4.43Å; L55-F169 HydrophobicContact CD1-CG 4.25Å; L55-F169 HydrophobicContact CD2-CD1 3.86Å; L55-F169 HydrophobicContact CD2-CE1 3.66Å; L55-F169 HydrophobicContact CD2-CZ 4.3Å; L117-F169 HydrophobicContact CD1-CE2 3.63Å; L117-F169 HydrophobicContact CD1-CZ 3.67Å; I120-F169 HydrophobicContact CG1-CD1 4.46Å; I120-F169 HydrophobicContact CG1-CE1 4.14Å; I120-F169 HydrophobicContact CG2-CD1 4.29Å; I120-F169 HydrophobicContact CG2-CE1 3.54Å; I120-F169 HydrophobicContact CG2-CZ 3.9Å; L124-F169 HydrophobicContact CD1-CE1 4.16Å; F152-F169 HydrophobicContact CE1-CB 3.87Å; F152-F169 HydrophobicContact CE1-CD1 4.41Å; F152-F169 HydrophobicContact CE1-CD2 4.15Å; F152-F169 AromaticContact CE1-CG 3.91Å; F152-F169 HydrophobicContact CE1-CG 3.91Å; F152-F169 HydrophobicContact CZ-CB 4.29Å; F152-F169 HydrophobicContact CZ-CD1 4.11Å; F152-F169 AromaticContact CZ-CD2 3.77Å; F152-F169 HydrophobicContact CZ-CD2 3.77Å; F152-F169 HydrophobicContact CZ-CE1 4.37Å; F152-F169 HydrophobicContact CZ-CE2 4.06Å; F152-F169 AromaticContact CZ-CG 3.8Å; F152-F169 HydrophobicContact CZ-CG 3.8Å; F152-F169 HydrophobicContact CZ-CZ 4.35Å; L165-F169 HydrophobicContact CD1-CD2 4.2Å; L165-F169 HydrophobicContact CD1-CE2 3.95Å; L165-F169 HydrophobicContact CD2-CE2 4.24Å; L165-F169 HydrophobicContact CG-CD2 4.05Å; L165-F169 HydrophobicContact CG-CE2 3.86Å; L165-F169 WeakPolarHBondContact O-CD2 3.25Å; L165-F169 PolarHBondContact O-N 2.86Å; W166-F169 PolarHBondContact O-N 3.25Å; F169-S171 VanDerWaalsContact C-N 3.34Å; F169-S171 PolarHBondContact O-N 2.84Å; F169-T172 PolarHBondContact O-N 2.81Å; F169-F173 HydrophobicContact CB-CE2 4.22Å; F169-F173 HydrophobicContact CB-CZ 4.39Å; F169-F173 HydrophobicContact CD1-CE1 4.43Å; F169-F173 HydrophobicContact CD1-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CB 3.22Å; F169-F173 WeakPolarHBondContact O-CD2 3.48Å; F169-F173 WeakPolarHBondContact O-CG 3.29Å; F169-F173 PolarHBondContact O-N 3.14Å
170Q98.8Very high98.5Very high9 Ų928.9 Ų28.94%0.04214%0.141CC..Hα-helixtrans-66.3-38.3177.4-52.8-39.1-64.100111.9M144 N147 W166 Y167 R168 F173 N174M144-Q170 VanDerWaalsContact CA-OE1 3.27Å; M144-Q170 HydrophobicContact CB-CG 4.15Å; M144-Q170 HydrophobicContact CE-CG 4.46Å; M144-Q170 HydrophobicContact CG-CG 4Å; N147-Q170 PolarHBondContact ND2-OE1 3.26Å; N147-Q170 PolarHBondContact OD1-OE1 3.39Å; W166-Q170 HydrophobicContact CD2-CG 4.37Å; W166-Q170 HydrophobicContact CH2-CG 4.39Å; W166-Q170 HydrophobicContact CZ2-CG 4.18Å; W166-Q170 WeakPolarHBondContact O-CG 3.42Å; W166-Q170 PolarHBondContact O-N 3.1Å; W166-Q170 PolarHBondContact O-NE2 2.98Å; Y167-Q170 WeakPolarHBondContact O-CB 3.34Å; Y167-Q170 PolarHBondContact O-N 2.95Å; R168-Q170 PolarHBondContact O-N 3.07Å; Q170-F173 PolarHBondContact O-N 3.18Å; Q170-N174 VanDerWaalsContact O-CG 3.23Å; Q170-N174 PolarHBondContact O-N 2.97Å; Q170-N174 PolarHBondContact O-ND2 3.07Å
171S98.6Very high98.6Very high55 Ų5526.6 Ų26.639%0.38513%0.133SC..Hα-helixtrans-59.9-47.6171.6-61.10000110.9Y167 R168 F169 F173 N174 C175Y167-S171 PolarHBondContact O-N 2.94Å; R168-S171 WeakPolarHBondContact O-CB 3.47Å; R168-S171 PolarHBondContact O-N 2.84Å; R168-S171 VanDerWaalsContact O-N 3.1Å; F169-S171 VanDerWaalsContact C-N 3.34Å; F169-S171 PolarHBondContact O-N 2.84Å; S171-F173 PolarHBondContact O-N 2.74Å; S171-N174 WeakPolarHBondContact O-CB 3.33Å; S171-N174 PolarHBondContact O-N 2.9Å; S171-C175 PolarHBondContact O-N 3.46Å; S171-C175 PolarHBondContact O-SG 2.89Å
172T98.9Very high98.7Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-63.2-40178-47.30000112.5L55 E59 L62 L124 R168 F169 N174 C175L55-T172 HydrophobicContact CD2-CG2 4.06Å; E59-T172 HydrophobicContact CG-CG2 3.91Å; E59-T172 WeakPolarHBondContact OE1-CA 3.36Å; E59-T172 PolarHBondContact OE1-N 2.72Å; E59-T172 PolarHBondContact OE1-OG1 3.3Å; L62-T172 HydrophobicContact CD1-CG2 3.99Å; L124-T172 HydrophobicContact CD1-CG2 4.21Å; L124-T172 HydrophobicContact CD2-CG2 4.2Å; R168-T172 PolarHBondContact O-N 3.03Å; R168-T172 VanDerWaalsContact O-N 3.08Å; R168-T172 PolarHBondContact O-OG1 3.41Å; F169-T172 PolarHBondContact O-N 2.81Å; T172-N174 VanDerWaalsContact C-N 3.29Å; T172-N174 PolarHBondContact O-N 2.96Å; T172-C175 WeakPolarHBondContact O-CA 3.39Å; T172-C175 VanDerWaalsContact O-CB 3.23Å; T172-C175 WeakPolarHBondContact O-CB 3.34Å; T172-C175 PolarHBondContact O-N 2.69Å
173F98.9Very high98.7Very high1 Ų125.3 Ų25.30%0.00412%0.124CC..Hα-helixtrans-65.1-32.6175.8-67.9-24.8000113.3V110 I120 R138 E142 F152 F169 Q170 S171 C175 L176V110-F173 HydrophobicContact CG1-CZ 3.93Å; V110-F173 HydrophobicContact CG2-CZ 4.47Å; I120-F173 HydrophobicContact CD1-CE1 3.77Å; I120-F173 HydrophobicContact CD1-CZ 4.49Å; I120-F173 HydrophobicContact CG1-CE1 3.73Å; I120-F173 HydrophobicContact CG1-CZ 4.14Å; R138-F173 PolarHBondContact NE-O 3.02Å; E142-F173 HydrophobicContact CB-CB 4.08Å; E142-F173 HydrophobicContact CB-CD1 3.98Å; E142-F173 HydrophobicContact CB-CD2 4.14Å; E142-F173 HydrophobicContact CB-CE1 4.43Å; E142-F173 HydrophobicContact CB-CG 3.82Å; E142-F173 HydrophobicContact CG-CD1 3.73Å; E142-F173 HydrophobicContact CG-CD2 4.36Å; E142-F173 HydrophobicContact CG-CE1 3.74Å; E142-F173 HydrophobicContact CG-CE2 4.38Å; E142-F173 HydrophobicContact CG-CG 4.06Å; E142-F173 HydrophobicContact CG-CZ 4.08Å; E142-F173 WeakPolarHBondContact O-CB 3.28Å; F152-F173 HydrophobicContact CD1-CE2 4.02Å; F152-F173 HydrophobicContact CD1-CZ 4.37Å; F152-F173 AromaticContact CE1-CE2 3.64Å; F152-F173 HydrophobicContact CE1-CE2 3.64Å; F152-F173 AromaticContact CE1-CZ 3.73Å; F152-F173 HydrophobicContact CE1-CZ 3.73Å; F152-F173 HydrophobicContact CZ-CZ 4.29Å; F169-F173 HydrophobicContact CB-CE2 4.22Å; F169-F173 HydrophobicContact CB-CZ 4.39Å; F169-F173 HydrophobicContact CD1-CE1 4.43Å; F169-F173 HydrophobicContact CD1-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CB 3.22Å; F169-F173 WeakPolarHBondContact O-CD2 3.48Å; F169-F173 WeakPolarHBondContact O-CG 3.29Å; F169-F173 PolarHBondContact O-N 3.14Å; Q170-F173 PolarHBondContact O-N 3.18Å; S171-F173 PolarHBondContact O-N 2.74Å; F173-C175 PolarHBondContact O-N 2.91Å; F173-L176 HydrophobicContact CB-CD1 4.29Å; F173-L176 HydrophobicContact CD1-CD1 3.8Å; F173-L176 HydrophobicContact CG-CD1 4.42Å; F173-L176 WeakPolarHBondContact O-CB 3.49Å; F173-L176 PolarHBondContact O-N 2.95Å; F173-L176 VanDerWaalsContact O-N 3.1Å
174N98.8Very high98.6Very high21 Ų2125.3 Ų25.311%0.11213%0.128CC..Hα-helixtrans-67-21.5172-70.7-22.9000112.5R138 Q170 S171 T172 P209 I210 N211R138-N174 PolarHBondContact NH1-OD1 3.22Å; R138-N174 PolarHBondContact NH2-OD1 2.89Å; Q170-N174 VanDerWaalsContact O-CG 3.23Å; Q170-N174 PolarHBondContact O-N 2.97Å; Q170-N174 PolarHBondContact O-ND2 3.07Å; S171-N174 WeakPolarHBondContact O-CB 3.33Å; S171-N174 PolarHBondContact O-N 2.9Å; T172-N174 VanDerWaalsContact C-N 3.29Å; T172-N174 PolarHBondContact O-N 2.96Å; N174-P209 HydrophobicContact CB-CB 3.85Å; N174-P209 CarbonylContact O-C 3.59Å; N174-P209 VanDerWaalsContact O-CA 3.23Å; N174-P209 WeakPolarHBondContact O-CA 3.16Å; N174-I210 WeakPolarHBondContact CB-O 3.4Å; N174-I210 PolarHBondContact O-N 2.86Å; N174-I210 PolarHBondContact OD1-O 3.1Å; N174-I210 VanDerWaalsContact OD1-O 3.07Å; N174-N211 PolarHBondContact ND2-OD1 2.86Å
175C98.8Very high98.6Very high2 Ų224.6 Ų24.61%0.01412%0.118CC..THydrogen-bonded Turntrans-82.4-1.1171.9-59.10000113.2E59 L62 L63 S171 T172 F173 R208E59-C175 HydrophobicContact CG-CB 4.43Å; L62-C175 HydrophobicContact CB-CB 4.21Å; L62-C175 WeakPolarHBondContact CB-O 3.34Å; L62-C175 HydrophobicContact CD1-CB 4.41Å; L63-C175 HydrophobicContact CD2-CB 4.06Å; L63-C175 HydrophobicContact CG-CB 4.1Å; S171-C175 PolarHBondContact O-N 3.46Å; S171-C175 PolarHBondContact O-SG 2.89Å; T172-C175 WeakPolarHBondContact O-CA 3.39Å; T172-C175 VanDerWaalsContact O-CB 3.23Å; T172-C175 WeakPolarHBondContact O-CB 3.34Å; T172-C175 PolarHBondContact O-N 2.69Å; F173-C175 PolarHBondContact O-N 2.91Å; C175-R208 PolarHBondContact O-NH1 3.37Å
176L98.9Very high98.6Very high1 Ų124.6 Ų24.61%0.00512%0.118CC..SBendtrans-74.7139.7-178.8-72.2167.1000113L62 I136 R138 E142 F173 R208L62-L176 HydrophobicContact CD1-CD2 3.89Å; L62-L176 HydrophobicContact CD1-CG 4.47Å; L62-L176 HydrophobicContact CD2-CD2 3.87Å; I136-L176 HydrophobicContact CD1-CD2 3.67Å; I136-L176 HydrophobicContact CG1-CD2 3.71Å; R138-L176 HydrophobicContact CB-CB 3.71Å; R138-L176 HydrophobicContact CB-CD1 4.25Å; R138-L176 HydrophobicContact CG-CB 4.08Å; R138-L176 HydrophobicContact CG-CD1 4.07Å; E142-L176 HydrophobicContact CB-CD1 3.79Å; E142-L176 HydrophobicContact CG-CD1 3.76Å; F173-L176 HydrophobicContact CB-CD1 4.29Å; F173-L176 HydrophobicContact CD1-CD1 3.8Å; F173-L176 HydrophobicContact CG-CD1 4.42Å; F173-L176 WeakPolarHBondContact O-CB 3.49Å; F173-L176 PolarHBondContact O-N 2.95Å; F173-L176 VanDerWaalsContact O-N 3.1Å; L176-R208 VanDerWaalsContact C-NH1 3.29Å; L176-R208 WeakPolarHBondContact O-CD 3.44Å
177P98.8Very high98.6Very high0 Ų024.5 Ų24.50%012%0.118CC..  trans-60.5154.4169.5-19.530.4000111.3D65 I69 I136 L137 R138 R208D65-P177 HydrophobicContact CB-CG 4.02Å; I69-P177 HydrophobicContact CD1-CB 3.73Å; I69-P177 HydrophobicContact CD1-CG 3.73Å; I69-P177 HydrophobicContact CG1-CB 3.81Å; I69-P177 HydrophobicContact CG1-CG 4.14Å; I136-P177 WeakPolarHBondContact O-CD 3.18Å; L137-P177 CarbonylContact C-O 3.48Å; L137-P177 WeakPolarHBondContact CA-O 3.41Å; L137-P177 HydrophobicContact CD2-CB 3.92Å; R138-P177 PolarHBondContact N-O 3Å; P177-R208 VanDerWaalsContact CG-NH1 3.31Å
178L98.8Very high98.6Very high0 Ų019.7 Ų19.70%010%0.098CC..  trans-99.6-27.1-174.5-64.6175000113.5T67 R138 V189 I203 L206 L218 L221 L222T67-L178 HydrophobicContact CG2-CB 4.09Å; T67-L178 HydrophobicContact CG2-CD1 3.7Å; T67-L178 HydrophobicContact CG2-CG 3.78Å; T67-L178 PolarHBondContact O-N 3.23Å; R138-L178 HydrophobicContact CB-CD2 4.15Å; L178-V189 WeakPolarHBondContact O-CG2 3.21Å; L178-I203 HydrophobicContact CB-CG2 4.4Å; L178-L206 HydrophobicContact CD1-CD1 3.6Å; L178-L218 HydrophobicContact CD1-CD1 3.98Å; L178-L218 HydrophobicContact CD1-CD2 4.22Å; L178-L218 HydrophobicContact CD1-CG 3.67Å; L178-L218 HydrophobicContact CD2-CD2 3.91Å; L178-L218 HydrophobicContact CD2-CG 4.29Å; L178-L221 HydrophobicContact CB-CD1 4.44Å; L178-L222 HydrophobicContact CD2-CD2 4.47Å
179A98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.087CC..EExtended strand (participates in β ladder)trans-154.3162.9-176.200000111.1T67 L68 I69 F187 C188 V189 I203T67-A179 PolarHBondContact O-N 2.99Å; L68-A179 WeakPolarHBondContact CA-O 3.29Å; L68-A179 HydrophobicContact CD1-CB 3.65Å; I69-A179 PolarHBondContact N-O 3.14Å; A179-F187 HydrophobicContact CB-CE2 3.57Å; A179-F187 HydrophobicContact CB-CZ 3.75Å; A179-C188 CarbonylContact C-O 3.53Å; A179-C188 VanDerWaalsContact CA-O 3.23Å; A179-C188 WeakPolarHBondContact CA-O 3.44Å; A179-C188 WeakPolarHBondContact CB-O 3.25Å; A179-V189 HydrophobicContact CB-CG2 4.43Å; A179-I203 HydrophobicContact CB-CD1 4.23Å
180A98.9Very high98.7Very high0 Ų016.7 Ų16.70%09%0.087CC..EExtended strand (participates in β ladder)trans-130.5156.7169.300000111.3I69 L71 L104 L137 C188I69-A180 HydrophobicContact CB-CB 4.19Å; I69-A180 CarbonylContact O-C 3.53Å; I69-A180 VanDerWaalsContact O-CA 3.29Å; I69-A180 WeakPolarHBondContact O-CA 3.06Å; L71-A180 HydrophobicContact CD1-CB 3.65Å; L71-A180 HydrophobicContact CG-CB 4.32Å; L104-A180 HydrophobicContact CD1-CB 4Å; L104-A180 HydrophobicContact CD2-CB 3.88Å; L137-A180 HydrophobicContact CD1-CB 4.3Å; L137-A180 HydrophobicContact CD2-CB 4.33Å; A180-C188 HydrophobicContact CB-CB 4.17Å; A180-C188 PolarHBondContact N-O 2.95Å; A180-C188 PolarHBondContact O-N 2.8Å
181L98.7Very high98.7Very high7 Ų716.3 Ų16.34%0.0379%0.085CC..EExtended strand (participates in β ladder)trans-128.3110.7178.6-176.364.1000109.1L68 I69 L71 N184 I186 L200 L259L68-L181 HydrophobicContact CD1-CB 4.16Å; I69-L181 PolarHBondContact O-N 3.13Å; L71-L181 PolarHBondContact N-O 3.01Å; L181-N184 HydrophobicContact CD2-CB 4.38Å; L181-N184 WeakPolarHBondContact CD2-OD1 3.33Å; L181-I186 WeakPolarHBondContact CA-O 3.26Å; L181-L200 HydrophobicContact CD1-CD1 4.48Å; L181-L200 HydrophobicContact CD2-CD1 4.18Å; L181-L259 HydrophobicContact CD1-CD2 3.39Å
182I98.7Very high98.7Very high0 Ų013.7 Ų13.70%07%0.067CC..EExtended strand (participates in β ladder)trans-94.3120.5-178.6-52.9171.3000108.9L71 I75 V77 L104 N184 K185 I186 I301L71-I182 HydrophobicContact CB-CG1 4.04Å; L71-I182 HydrophobicContact CD1-CG1 4.46Å; L71-I182 WeakPolarHBondContact O-CA 3.26Å; I75-I182 HydrophobicContact CG2-CD1 3.89Å; I75-I182 HydrophobicContact CG2-CG2 4.39Å; V77-I182 HydrophobicContact CG2-CD1 4.15Å; L104-I182 HydrophobicContact CD2-CD1 4.22Å; I182-N184 PolarHBondContact O-N 3.14Å; I182-N184 VanDerWaalsContact O-N 3.13Å; I182-K185 PolarHBondContact O-N 2.88Å; I182-I186 HydrophobicContact CB-CB 4.21Å; I182-I186 PolarHBondContact N-O 2.87Å; I182-I186 PolarHBondContact O-N 2.76Å; I182-I186 VanDerWaalsContact O-N 3.1Å; I182-I301 HydrophobicContact CD1-CD1 3.55Å; I182-I301 HydrophobicContact CG2-CD1 4.43Å
183E97.6Very high98.6Very high71 Ų7113.7 Ų13.733%0.3327%0.067SC..THydrogen-bonded Turntrans51.832.6-179.9-80.4-73.3164.400114.1L71 P73 K185 M305L71-E183 PolarHBondContact O-N 3.02Å; P73-E183 HydrophobicContact CG-CG 4Å; E183-K185 WeakPolarHBondContact O-CG 3.41Å; E183-K185 PolarHBondContact O-N 3.02Å; E183-M305 HydrophobicContact CB-CE 3.85Å; E183-M305 HydrophobicContact CB-SD 3.79Å; E183-M305 HydrophobicContact CG-CE 4.45Å; E183-M305 HydrophobicContact CG-SD 3.72Å
184N97.5Very high98.6Very high104 Ų10413.7 Ų13.756%0.5567%0.067SC*.THydrogen-bonded Turntrans54.124.6-176.2-61.3-65.8000114.2L181 I182L181-N184 HydrophobicContact CD2-CB 4.38Å; L181-N184 WeakPolarHBondContact CD2-OD1 3.33Å; I182-N184 PolarHBondContact O-N 3.14Å; I182-N184 VanDerWaalsContact O-N 3.13Å
185K98.2Very high98.5Very high80 Ų8016.4 Ų16.435%0.3488%0.078SC..THydrogen-bonded Turntrans-130.8-38.6-172.8-76168.7-178.21720113.8I182 E183 Q260 M305I182-K185 PolarHBondContact O-N 2.88Å; E183-K185 WeakPolarHBondContact O-CG 3.41Å; E183-K185 PolarHBondContact O-N 3.02Å; K185-Q260 HydrophobicContact CB-CG 4.3Å; K185-Q260 HydrophobicContact CG-CG 4.3Å; K185-Q260 PolarHBondContact O-N 3.28Å; K185-M305 HydrophobicContact CB-CE 4.47Å; K185-M305 HydrophobicContact CD-CE 4.45Å
186I98.6Very high98.5Very high0 Ų019 Ų190%09%0.088CC..EExtended strand (participates in β ladder)trans-109.4116.4-176.4-55173.8000107.8L181 I182 M261 V263 I301 M305 F327L181-I186 WeakPolarHBondContact CA-O 3.26Å; I182-I186 HydrophobicContact CB-CB 4.21Å; I182-I186 PolarHBondContact N-O 2.87Å; I182-I186 PolarHBondContact O-N 2.76Å; I182-I186 VanDerWaalsContact O-N 3.1Å; I186-M261 HydrophobicContact CD1-SD 4.43Å; I186-M261 HydrophobicContact CG1-CB 4.46Å; I186-M261 HydrophobicContact CG1-SD 4.43Å; I186-M261 HydrophobicContact CG2-CB 4.49Å; I186-M261 HydrophobicContact CG2-CG 4.47Å; I186-M261 HydrophobicContact CG2-SD 4.25Å; I186-V263 HydrophobicContact CG2-CB 4.13Å; I186-V263 HydrophobicContact CG2-CG2 3.38Å; I186-I301 HydrophobicContact CD1-CD1 3.89Å; I186-M305 HydrophobicContact CD1-CE 3.54Å; I186-M305 HydrophobicContact CG1-CE 3.98Å; I186-F327 HydrophobicContact CD1-CE2 4.34Å; I186-F327 HydrophobicContact CD1-CZ 4.03Å; I186-F327 HydrophobicContact CG1-CZ 4.29Å
187F98.8Very high98.4Very high0 Ų019 Ų190%09%0.088CC..EExtended strand (participates in β ladder)trans-91.1126.1174.4179.9-108.2000109.4L68 A179 V189 L200 I203 L221 W253 L259 M261 L262 V263L68-F187 HydrophobicContact CD1-CD2 4.34Å; L68-F187 HydrophobicContact CD1-CE2 4Å; A179-F187 HydrophobicContact CB-CE2 3.57Å; A179-F187 HydrophobicContact CB-CZ 3.75Å; F187-V189 HydrophobicContact CE1-CB 4.01Å; F187-V189 HydrophobicContact CE1-CG1 4.19Å; F187-V189 HydrophobicContact CZ-CB 4.37Å; F187-L200 HydrophobicContact CD2-CD2 3.92Å; F187-L200 HydrophobicContact CE2-CD2 3.77Å; F187-L200 HydrophobicContact CZ-CD2 4.46Å; F187-I203 HydrophobicContact CE2-CD1 3.8Å; F187-I203 HydrophobicContact CZ-CD1 3.73Å; F187-L221 HydrophobicContact CE1-CD2 4.13Å; F187-L221 HydrophobicContact CZ-CD2 3.86Å; F187-W253 AromaticContact CD1-CH2 3.72Å; F187-W253 HydrophobicContact CD1-CH2 3.72Å; F187-W253 HydrophobicContact CD1-CZ3 4.07Å; F187-W253 AromaticContact CE1-CH2 3.9Å; F187-W253 HydrophobicContact CE1-CH2 3.9Å; F187-W253 HydrophobicContact CG-CH2 4.11Å; F187-W253 HydrophobicContact CG-CZ3 4.45Å; F187-W253 HydrophobicContact CZ-CH2 4.42Å; F187-L259 HydrophobicContact CB-CD1 3.6Å; F187-L259 HydrophobicContact CG-CD1 4.23Å; F187-M261 PolarHBondContact N-O 3.14Å; F187-L262 HydrophobicContact CD1-CD1 3.82Å; F187-L262 HydrophobicContact CE1-CD1 4.41Å; F187-L262 CarbonylContact O-C 3.38Å; F187-L262 WeakPolarHBondContact O-CA 3.47Å; F187-V263 PolarHBondContact O-N 3.17Å
188C98.9Very high98.3Very high0 Ų026.4 Ų26.40%012%0.12CC..EExtended strand (participates in β ladder)trans-116.2129.2-176-63.50000109.7L104 L106 A179 A180 V263L104-C188 HydrophobicContact CD2-CB 3.73Å; L106-C188 HydrophobicContact CD2-CB 3.88Å; A179-C188 CarbonylContact C-O 3.53Å; A179-C188 VanDerWaalsContact CA-O 3.23Å; A179-C188 WeakPolarHBondContact CA-O 3.44Å; A179-C188 WeakPolarHBondContact CB-O 3.25Å; A180-C188 HydrophobicContact CB-CB 4.17Å; A180-C188 PolarHBondContact N-O 2.95Å; A180-C188 PolarHBondContact O-N 2.8Å; C188-V263 VanDerWaalsContact CA-O 3.3Å; C188-V263 WeakPolarHBondContact CA-O 3.05Å
189V98.9Very high98.2Very high0 Ų028.8 Ų28.80%014%0.137CC..  trans-152.5166.7-179.176.40000108.9L178 A179 F187 L221 L262 V263 R264L178-V189 WeakPolarHBondContact O-CG2 3.21Å; A179-V189 HydrophobicContact CB-CG2 4.43Å; F187-V189 HydrophobicContact CE1-CB 4.01Å; F187-V189 HydrophobicContact CE1-CG1 4.19Å; F187-V189 HydrophobicContact CZ-CB 4.37Å; V189-L221 HydrophobicContact CG2-CB 3.76Å; V189-L221 HydrophobicContact CG2-CD2 3.74Å; V189-L221 HydrophobicContact CG2-CG 4.27Å; V189-L221 WeakPolarHBondContact CG2-O 3.26Å; V189-L262 HydrophobicContact CG1-CD1 3.82Å; V189-V263 PolarHBondContact N-O 2.97Å; V189-V263 VanDerWaalsContact N-O 3.17Å; V189-R264 VanDerWaalsContact O-CA 3.27Å; V189-R264 WeakPolarHBondContact O-CA 3.33Å
190H98.9Very high98.2Very high0 Ų029.7 Ų29.70%014%0.141CC..SBendtrans-73.1-58.3173.4-172.156.1000112.7D80 L106 D108 G139 N140 L222 R264 A265 H266D80-H190 IonicContact OD1-CE1 3.66Å; D80-H190 IonicContact OD2-CE1 3.24Å; L106-H190 VanDerWaalsContact O-CB 3.29Å; L106-H190 WeakPolarHBondContact O-CB 3.31Å; D108-H190 IonicContact OD1-CD2 2.82Å; D108-H190 IonicContact OD1-CE1 3.43Å; D108-H190 IonicContact OD1-NE2 3.05Å; D108-H190 PolarHBondContact OD1-NE2 3.33Å; D108-H190 VanDerWaalsContact OD1-NE2 3.09Å; D108-H190 IonicContact OD2-CE1 3.94Å; D108-H190 PolarHBondContact OD2-CE1 2.87Å; D108-H190 IonicContact OD2-NE2 2.74Å; D108-H190 PolarHBondContact OD2-NE2 2.83Å; G139-H190 VanDerWaalsContact CA-CD2 3.46Å; G139-H190 WeakPolarHBondContact CA-CD2 3.18Å; N140-H190 PolarHBondContact N-CD2 2.65Å; N140-H190 PolarHBondContact OD1-CD2 3.12Å; N140-H190 PolarHBondContact OD1-NE2 2.89Å; H190-L222 HydrophobicContact CB-CD2 4.32Å; H190-L222 PolarHBondContact CD2-O 3.12Å; H190-R264 PolarHBondContact O-NE 3.04Å; H190-R264 PolarHBondContact O-NH2 2.95Å; H190-A265 CarbonylContact O-C 3.19Å; H190-A265 PolarHBondContact O-N 2.89Å; H190-H266 AromaticContact CD2-ND1 3.84Å; H190-H266 AromaticContact NE2-CG 3.74Å; H190-H266 AromaticContact NE2-ND1 3.31Å; H190-H266 PolarHBondContact NE2-ND1 3.46Å
191G98.8Very high98.2Very high0 Ų034.8 Ų34.80%017%0.165CC..SBendtrans-76.8-111.7-17800000112L221 A224 R264G191-L221 WeakPolarHBondContact CA-O 3.31Å; G191-L221 PolarHBondContact N-O 3.24Å; G191-A224 CarbonylContact C-O 3.59Å; G191-R264 VanDerWaalsContact O-CB 3.29Å; G191-R264 WeakPolarHBondContact O-CB 3.33Å; G191-R264 WeakPolarHBondContact O-CD 3.26Å; G191-R264 PolarHBondContact O-NE 3.26Å; G191-R264 PolarHBondContact O-NH2 3.01Å
192G98.6Very high98.1Very high0 Ų037 Ų370%018%0.175CC..  trans-154.8-139.7178.200000112.2A224G192-A224 PolarHBondContact N-O 3.08Å
193I98.5Very high98.1Very high0 Ų037 Ų370%018%0.175CC..  trans-103.2166-177.556.8163.5000111.4A224 F233 F245 T249 L250 W253 L262I193-A224 WeakPolarHBondContact O-CB 3.41Å; I193-F233 HydrophobicContact CD1-CE1 4.27Å; I193-F233 HydrophobicContact CD1-CZ 3.86Å; I193-F233 HydrophobicContact CG1-CE1 4.04Å; I193-F233 HydrophobicContact CG1-CZ 4.08Å; I193-F245 HydrophobicContact CD1-CB 4.35Å; I193-F245 HydrophobicContact CD1-CD2 3.98Å; I193-F245 HydrophobicContact CD1-CE2 4.5Å; I193-F245 HydrophobicContact CD1-CG 4.08Å; I193-F245 HydrophobicContact CG1-CB 4.24Å; I193-F245 HydrophobicContact CG1-CD1 3.79Å; I193-F245 HydrophobicContact CG1-CD2 3.84Å; I193-F245 HydrophobicContact CG1-CE1 4.1Å; I193-F245 HydrophobicContact CG1-CE2 4.12Å; I193-F245 HydrophobicContact CG1-CG 3.66Å; I193-F245 HydrophobicContact CG1-CZ 4.25Å; I193-T249 HydrophobicContact CD1-CG2 4.42Å; I193-L250 HydrophobicContact CD1-CB 4.33Å; I193-L250 HydrophobicContact CD1-CD1 3.83Å; I193-L250 HydrophobicContact CG1-CD1 4.37Å; I193-L250 HydrophobicContact CG2-CD1 4.09Å; I193-W253 HydrophobicContact CB-CD2 4.15Å; I193-W253 HydrophobicContact CB-CG 4.41Å; I193-W253 HydrophobicContact CD1-CB 3.77Å; I193-W253 HydrophobicContact CD1-CD2 4.26Å; I193-W253 HydrophobicContact CD1-CG 3.84Å; I193-W253 HydrophobicContact CG2-CD2 3.71Å; I193-W253 HydrophobicContact CG2-CE3 3.62Å; I193-W253 HydrophobicContact CG2-CG 4.4Å; I193-W253 HydrophobicContact CG2-CH2 3.92Å; I193-W253 HydrophobicContact CG2-CZ2 4Å; I193-W253 HydrophobicContact CG2-CZ3 3.73Å; I193-L262 HydrophobicContact CG2-CD2 4.13Å
194S98.3Very high98.1Very high1 Ų136.7 Ų36.71%0.00717%0.171CC..  trans-130138.1178.5179.80000110.7R196 L197 F217 D220S194-R196 PolarHBondContact O-N 3.48Å; S194-R196 WeakPolarHBondContact OG-CB 3.43Å; S194-R196 PolarHBondContact OG-N 3.37Å; S194-L197 PolarHBondContact O-N 3.49Å; S194-L197 VanDerWaalsContact O-N 3.11Å; S194-F217 WeakPolarHBondContact OG-CB 3.31Å; S194-D220 VanDerWaalsContact CB-OD2 3.29Å; S194-D220 WeakPolarHBondContact CB-OD2 3.4Å; S194-D220 PolarHBondContact OG-OD2 3.4Å
195F97.1Very high98.1Very high78 Ų7837.7 Ų37.734%0.34218%0.175SC..THydrogen-bonded Turntrans-62.8-19.8169.167.1-87.4000112.4K198 F233 F243F195-K198 WeakPolarHBondContact O-CE 3.34Å; F195-K198 PolarHBondContact O-NZ 3.15Å; F195-F233 HydrophobicContact CB-CD1 4.46Å; F195-F233 HydrophobicContact CB-CD2 3.53Å; F195-F233 HydrophobicContact CB-CE1 4.45Å; F195-F233 HydrophobicContact CB-CE2 3.5Å; F195-F233 VanDerWaalsContact CB-CE2 3.5Å; F195-F233 HydrophobicContact CB-CG 4.02Å; F195-F233 HydrophobicContact CB-CZ 3.99Å; F195-F233 HydrophobicContact CD1-CB 4.24Å; F195-F233 HydrophobicContact CD1-CD1 4.29Å; F195-F233 HydrophobicContact CD1-CD2 4.45Å; F195-F233 HydrophobicContact CD1-CG 4.09Å; F195-F233 HydrophobicContact CG-CD2 4.43Å; F195-F243 HydrophobicContact CD1-CD2 4.48Å; F195-F243 HydrophobicContact CE1-CD1 4.25Å; F195-F243 AromaticContact CE1-CD2 3.85Å; F195-F243 HydrophobicContact CE1-CD2 3.85Å; F195-F243 HydrophobicContact CE1-CE1 4.01Å; F195-F243 AromaticContact CE1-CE2 3.6Å; F195-F243 HydrophobicContact CE1-CE2 3.6Å; F195-F243 HydrophobicContact CE1-CG 4.19Å; F195-F243 AromaticContact CE1-CZ 3.69Å; F195-F243 HydrophobicContact CE1-CZ 3.69Å; F195-F243 HydrophobicContact CZ-CE2 4.29Å; F195-F243 HydrophobicContact CZ-CZ 4.14Å
196R97.7Very high98.1Very high56 Ų5635.6 Ų35.621%0.21117%0.167CC..THydrogen-bonded Turntrans-85.6-11.9179-58.2177.1-82.6-158.4-5.9112.7S194 K198 Q202 D215 G216 F217 D220S194-R196 PolarHBondContact O-N 3.48Å; S194-R196 WeakPolarHBondContact OG-CB 3.43Å; S194-R196 PolarHBondContact OG-N 3.37Å; R196-K198 PolarHBondContact O-N 3.31Å; R196-Q202 PolarHBondContact O-NE2 3.1Å; R196-D215 IonicContact CZ-OD1 3.71Å; R196-D215 VanDerWaalsContact CZ-OD1 3.22Å; R196-D215 IonicContact NH1-OD1 3.47Å; R196-D215 PolarHBondContact NH1-OD1 3.28Å; R196-D215 IonicContact NH1-OD2 3.82Å; R196-D215 PolarHBondContact NH1-OD2 3.35Å; R196-D215 IonicContact NH2-OD1 3.89Å; R196-D215 PolarHBondContact NH2-OD1 3.41Å; R196-G216 VanDerWaalsContact CZ-C 3.46Å; R196-G216 VanDerWaalsContact CZ-N 3.32Å; R196-G216 VanDerWaalsContact NH1-N 3.18Å; R196-G216 VanDerWaalsContact NH2-N 3.15Å; R196-G216 PolarHBondContact NH2-O 2.91Å; R196-F217 HydrophobicContact CB-CB 4.12Å; R196-D220 IonicContact CZ-OD1 3.57Å; R196-D220 IonicContact CZ-OD2 3.72Å; R196-D220 IonicContact NE-OD2 2.85Å; R196-D220 PolarHBondContact NE-OD2 3.03Å; R196-D220 IonicContact NH2-OD1 3.18Å; R196-D220 PolarHBondContact NH2-OD1 2.8Å; R196-D220 IonicContact NH2-OD2 3.89Å; R196-D220 PolarHBondContact NH2-OD2 3.02Å
197L97.5Very high98.1Very high1 Ų144.2 Ų44.21%0.00521%0.205CC..  trans-92.496.2175.1-176.361.8000109.7S194 S199 Q202 I203 F217 L221 W253 M257S194-L197 PolarHBondContact O-N 3.49Å; S194-L197 VanDerWaalsContact O-N 3.11Å; L197-S199 VanDerWaalsContact CD1-O 3.23Å; L197-S199 WeakPolarHBondContact CD1-O 3.1Å; L197-Q202 HydrophobicContact CD1-CB 3.82Å; L197-I203 HydrophobicContact CD1-CD1 4.28Å; L197-I203 HydrophobicContact CD1-CG1 3.87Å; L197-I203 HydrophobicContact CD2-CD1 3.79Å; L197-I203 HydrophobicContact CD2-CG1 4.26Å; L197-F217 HydrophobicContact CB-CB 4.26Å; L197-F217 HydrophobicContact CD1-CD2 4.19Å; L197-F217 HydrophobicContact CD1-CE2 4.43Å; L197-L221 HydrophobicContact CD2-CD2 4Å; L197-W253 HydrophobicContact CD2-CZ2 3.72Å; L197-W253 HydrophobicContact CG-CZ2 4.21Å; L197-W253 PolarHBondContact O-NE1 3.01Å; L197-W253 VanDerWaalsContact O-NE1 3.11Å; L197-M257 HydrophobicContact CG-CE 4.21Å; L197-M257 WeakPolarHBondContact O-CE 3.45Å
198K96.3Very high98Very high157 Ų15745.6 Ų45.668%0.68321%0.21SC*.  trans-96.6-18.8-179.6-55.7-52.2-167.2-172.10113.5F195 R196 M257F195-K198 WeakPolarHBondContact O-CE 3.34Å; F195-K198 PolarHBondContact O-NZ 3.15Å; R196-K198 PolarHBondContact O-N 3.31Å; K198-M257 WeakPolarHBondContact O-CE 3.28Å
199S97.7Very high98Very high50 Ų5049.6 Ų49.635%0.3524%0.236SC..  trans-146.3141.1172.3-179.30000111.1L197 Q201 Q202L197-S199 VanDerWaalsContact CD1-O 3.23Å; L197-S199 WeakPolarHBondContact CD1-O 3.1Å; S199-Q201 PolarHBondContact O-N 3.25Å; S199-Q201 VanDerWaalsContact O-N 3.1Å; S199-Q201 WeakPolarHBondContact OG-CB 3.31Å; S199-Q201 PolarHBondContact OG-N 2.74Å; S199-Q201 VanDerWaalsContact OG-N 3.17Å; S199-Q202 WeakPolarHBondContact O-CB 3.2Å; S199-Q202 PolarHBondContact O-N 3.21Å
200L98.3Very high98Very high19 Ų1951.6 Ų51.610%0.09925%0.246CC..THydrogen-bonded Turntrans-58.3-20.6169.6-62.6-176.3000113L68 L181 F187 Q202 I203 R204 W253 M257 L259L68-L200 HydrophobicContact CD2-CB 3.82Å; L68-L200 HydrophobicContact CD2-CD1 4.33Å; L68-L200 HydrophobicContact CD2-CG 4.46Å; L181-L200 HydrophobicContact CD1-CD1 4.48Å; L181-L200 HydrophobicContact CD2-CD1 4.18Å; F187-L200 HydrophobicContact CD2-CD2 3.92Å; F187-L200 HydrophobicContact CE2-CD2 3.77Å; F187-L200 HydrophobicContact CZ-CD2 4.46Å; L200-Q202 PolarHBondContact O-N 2.96Å; L200-I203 HydrophobicContact CD2-CD1 4.48Å; L200-I203 PolarHBondContact O-N 3.47Å; L200-I203 VanDerWaalsContact O-N 3.11Å; L200-R204 PolarHBondContact O-N 3.28Å; L200-W253 HydrophobicContact CD2-CH2 4.12Å; L200-W253 HydrophobicContact CD2-CZ2 4.37Å; L200-M257 HydrophobicContact CD2-SD 4.29Å; L200-M257 HydrophobicContact CG-SD 4.03Å; L200-L259 HydrophobicContact CD1-CD1 4.26Å; L200-L259 HydrophobicContact CD1-CD2 4.37Å
201Q97.9Very high97.9Very high106 Ų10656.9 Ų56.950%0.49528%0.275SS..Hα-helixtrans-61.7-30172.9-64.6-58.1-29.900112.4S199 I203 R204 I205S199-Q201 PolarHBondContact O-N 3.25Å; S199-Q201 VanDerWaalsContact O-N 3.1Å; S199-Q201 WeakPolarHBondContact OG-CB 3.31Å; S199-Q201 PolarHBondContact OG-N 2.74Å; S199-Q201 VanDerWaalsContact OG-N 3.17Å; Q201-I203 PolarHBondContact O-N 3.09Å; Q201-R204 PolarHBondContact O-N 2.89Å; Q201-I205 WeakPolarHBondContact O-CG1 3.24Å; Q201-I205 WeakPolarHBondContact O-CG2 3.12Å; Q201-I205 PolarHBondContact O-N 3.35Å
202Q98.3Very high97.8Very high54 Ų5458.1 Ų58.125%0.25228%0.281SS..Hα-helixtrans-59.9-33.2175-68.8171.9-103.800111.8R196 L197 S199 L200 L206 F217R196-Q202 PolarHBondContact O-NE2 3.1Å; L197-Q202 HydrophobicContact CD1-CB 3.82Å; S199-Q202 WeakPolarHBondContact O-CB 3.2Å; S199-Q202 PolarHBondContact O-N 3.21Å; L200-Q202 PolarHBondContact O-N 2.96Å; Q202-L206 WeakPolarHBondContact O-CG 3.25Å; Q202-F217 HydrophobicContact CB-CE1 4.45Å; Q202-F217 HydrophobicContact CB-CZ 4.1Å
203I98.5Very high97.7Very high0 Ų060.6 Ų60.60%030%0.297CS..Hα-helixtrans-75.8-46.1174.7-54175.8000110.1T67 L68 L178 A179 F187 L197 L200 Q201 I205 L206 F217 L221T67-I203 WeakPolarHBondContact CB-O 3.11Å; T67-I203 HydrophobicContact CG2-CG2 4Å; L68-I203 HydrophobicContact CB-CB 4.19Å; L68-I203 HydrophobicContact CB-CG2 3.8Å; L178-I203 HydrophobicContact CB-CG2 4.4Å; A179-I203 HydrophobicContact CB-CD1 4.23Å; F187-I203 HydrophobicContact CE2-CD1 3.8Å; F187-I203 HydrophobicContact CZ-CD1 3.73Å; L197-I203 HydrophobicContact CD1-CD1 4.28Å; L197-I203 HydrophobicContact CD1-CG1 3.87Å; L197-I203 HydrophobicContact CD2-CD1 3.79Å; L197-I203 HydrophobicContact CD2-CG1 4.26Å; L200-I203 HydrophobicContact CD2-CD1 4.48Å; L200-I203 PolarHBondContact O-N 3.47Å; L200-I203 VanDerWaalsContact O-N 3.11Å; Q201-I203 PolarHBondContact O-N 3.09Å; I203-I205 VanDerWaalsContact C-N 3.28Å; I203-I205 PolarHBondContact O-N 3.37Å; I203-L206 WeakPolarHBondContact O-CB 3.39Å; I203-L206 PolarHBondContact O-N 3.37Å; I203-L206 VanDerWaalsContact O-N 3.15Å; I203-F217 HydrophobicContact CG1-CE2 4.19Å; I203-L221 HydrophobicContact CD1-CD1 3.83Å; I203-L221 HydrophobicContact CD1-CD2 4.26Å; I203-L221 HydrophobicContact CG1-CD1 4.06Å
204R97.8Very high97.5Very high64 Ų6467.9 Ų67.924%0.24234%0.336CS..Hα-helixtrans-57.7-38.1-176.6-70.5179.9-175.5-76.82.5113.4L68 D70 L200 Q201 L206L68-R204 HydrophobicContact CB-CG 3.82Å; L68-R204 HydrophobicContact CD2-CG 3.94Å; L68-R204 HydrophobicContact CG-CG 4.37Å; L68-R204 PolarHBondContact O-NH1 3.33Å; D70-R204 VanDerWaalsContact CG-NH2 3.35Å; D70-R204 IonicContact OD1-CZ 3.22Å; D70-R204 IonicContact OD1-NH1 2.87Å; D70-R204 IonicContact OD1-NH2 2.68Å; D70-R204 PolarHBondContact OD1-NH2 3.13Å; D70-R204 IonicContact OD2-CZ 2.81Å; D70-R204 IonicContact OD2-NH1 3.34Å; D70-R204 PolarHBondContact OD2-NH1 3.16Å; D70-R204 IonicContact OD2-NH2 2.85Å; D70-R204 PolarHBondContact OD2-NH2 3.42Å; L200-R204 PolarHBondContact O-N 3.28Å; Q201-R204 PolarHBondContact O-N 2.89Å; R204-L206 VanDerWaalsContact C-N 3.34Å
205I97.6Very high97.4Very high126 Ų12672.5 Ų72.565%0.64636%0.361SS*.THydrogen-bonded Turntrans-83.9-6.7-17770.4179.3000113.9Q201 I203 K207Q201-I205 WeakPolarHBondContact O-CG1 3.24Å; Q201-I205 WeakPolarHBondContact O-CG2 3.12Å; Q201-I205 PolarHBondContact O-N 3.35Å; I203-I205 VanDerWaalsContact C-N 3.28Å; I203-I205 PolarHBondContact O-N 3.37Å; I205-K207 PolarHBondContact O-N 2.98Å
206L97.5Very high97.4Very high35 Ų3569.6 Ų69.618%0.18335%0.353CS..PPolyproline II helixtrans-64.9125.2174.3-75175.2000109.6T67 L178 Q202 I203 R204 I210 F217 L218T67-L206 HydrophobicContact CG2-CB 4.03Å; T67-L206 HydrophobicContact CG2-CD1 4.48Å; T67-L206 PolarHBondContact OG1-O 3.47Å; L178-L206 HydrophobicContact CD1-CD1 3.6Å; Q202-L206 WeakPolarHBondContact O-CG 3.25Å; I203-L206 WeakPolarHBondContact O-CB 3.39Å; I203-L206 PolarHBondContact O-N 3.37Å; I203-L206 VanDerWaalsContact O-N 3.15Å; R204-L206 VanDerWaalsContact C-N 3.34Å; L206-I210 HydrophobicContact CD2-CD1 4.22Å; L206-F217 HydrophobicContact CD1-CE2 3.76Å; L206-F217 HydrophobicContact CD1-CZ 3.74Å; L206-F217 HydrophobicContact CD2-CZ 4.2Å; L206-F217 HydrophobicContact CG-CZ 4.12Å; L206-L218 HydrophobicContact CD1-CD1 4.21Å
207K97.4Very high97.4Very high182 Ų18268.5 Ų68.579%0.79135%0.35SS*.PPolyproline II helixtrans-84.5130.1174.6-63.4-173.5178.7-176.40109.8I205I205-K207 PolarHBondContact O-N 2.98Å
208R98.2Very high97.5Very high29 Ų2968.9 Ų68.911%0.10935%0.352CS..SBendtrans-103151.2170.2-67179.1-67.41356.2109L62 L63 D65 T67 C175 L176 P177 I210L62-R208 VanDerWaalsContact O-CZ 3.31Å; L62-R208 PolarHBondContact O-NH1 3.34Å; L62-R208 PolarHBondContact O-NH2 3.39Å; L63-R208 HydrophobicContact CD2-CB 3.73Å; L63-R208 WeakPolarHBondContact CD2-O 3.46Å; D65-R208 VanDerWaalsContact C-NH2 3.34Å; D65-R208 PolarHBondContact O-NH2 2.9Å; T67-R208 HydrophobicContact CG2-CG 4.38Å; T67-R208 PolarHBondContact OG1-NE 2.94Å; T67-R208 VanDerWaalsContact OG1-NE 3.08Å; C175-R208 PolarHBondContact O-NH1 3.37Å; L176-R208 VanDerWaalsContact C-NH1 3.29Å; L176-R208 WeakPolarHBondContact O-CD 3.44Å; P177-R208 VanDerWaalsContact CG-NH1 3.31Å; R208-I210 HydrophobicContact CG-CG2 4.13Å
209P98.5Very high97.6Very high84 Ų8462 Ų6255%0.54532%0.322SS..SBendcis-69.1145.32.126.3-32.8000113.5N174N174-P209 HydrophobicContact CB-CB 3.85Å; N174-P209 CarbonylContact O-C 3.59Å; N174-P209 VanDerWaalsContact O-CA 3.23Å; N174-P209 WeakPolarHBondContact O-CA 3.16Å
210I98.1Very high97.6Very high41 Ų4159.6 Ų59.621%0.2131%0.306CS..  trans-138.4131.7178.9-169.2162.6000111.2R138 N174 L206 R208 L218R138-I210 PolarHBondContact NH1-O 2.58Å; N174-I210 WeakPolarHBondContact CB-O 3.4Å; N174-I210 PolarHBondContact O-N 2.86Å; N174-I210 PolarHBondContact OD1-O 3.1Å; N174-I210 VanDerWaalsContact OD1-O 3.07Å; L206-I210 HydrophobicContact CD2-CD1 4.22Å; R208-I210 HydrophobicContact CG-CG2 4.13Å; I210-L218 HydrophobicContact CD1-CD1 3.63Å; I210-L218 HydrophobicContact CG1-CD1 4.06Å; I210-L218 HydrophobicContact CG2-CD1 4.04Å
211N97.1Very high97.6Very high112 Ų11258.7 Ų58.760%0.59930%0.301SS*.  trans-71.9144.3170.4-73.6-52.6000110N174 P213N174-N211 PolarHBondContact ND2-OD1 2.86Å; N211-P213 WeakPolarHBondContact O-CD 3.33Å
212L97.1Very high97.7Very high26 Ų2653.7 Ų53.714%0.13628%0.277CS..  trans-65.5116171.1-178.562.9000109.2A143 L218 L219 L222A143-L212 HydrophobicContact CB-CB 4.17Å; A143-L212 HydrophobicContact CB-CD2 3.46Å; A143-L212 VanDerWaalsContact CB-CD2 3.46Å; A143-L212 HydrophobicContact CB-CG 4.46Å; L212-L218 HydrophobicContact CD1-CD2 3.37Å; L212-L219 HydrophobicContact CD1-CB 4.42Å; L212-L219 HydrophobicContact CD1-CD1 4.17Å; L212-L219 HydrophobicContact CD2-CD1 4.16Å; L212-L219 HydrophobicContact CG-CD1 4.19Å; L212-L222 HydrophobicContact CD1-CD1 3.72Å; L212-L222 HydrophobicContact CD1-CG 4.44Å; L212-L222 HydrophobicContact CD2-CD1 4.27Å
213P96.2Very high97.7Very high51 Ų5152.7 Ų52.733%0.33127%0.271SS..  trans-71.6159.4173.132.5-36.7000110.8N211 D215 L218N211-P213 WeakPolarHBondContact O-CD 3.33Å; P213-D215 WeakPolarHBondContact CB-O 3.27Å; P213-D215 VanDerWaalsContact CG-O 3.29Å; P213-D215 WeakPolarHBondContact CG-O 3.44Å; P213-D215 PolarHBondContact O-N 2.89Å; P213-L218 HydrophobicContact CG-CB 4.12Å
214N94Very high97.7Very high153 Ų15352.7 Ų52.782%0.81827%0.271SS*.SBendtrans-75.9-6.6176.2-64.5-28.4000113.4L219N214-L219 WeakPolarHBondContact O-CD2 3.42Å
215D96.1Very high97.7Very high98 Ų9849.8 Ų49.852%0.52426%0.261SS..SBendtrans-156.9159.1176.4-173.136.5000110R196 P213R196-D215 IonicContact CZ-OD1 3.71Å; R196-D215 VanDerWaalsContact CZ-OD1 3.22Å; R196-D215 IonicContact NH1-OD1 3.47Å; R196-D215 PolarHBondContact NH1-OD1 3.28Å; R196-D215 IonicContact NH1-OD2 3.82Å; R196-D215 PolarHBondContact NH1-OD2 3.35Å; R196-D215 IonicContact NH2-OD1 3.89Å; R196-D215 PolarHBondContact NH2-OD1 3.41Å; P213-D215 WeakPolarHBondContact CB-O 3.27Å; P213-D215 VanDerWaalsContact CG-O 3.29Å; P213-D215 WeakPolarHBondContact CG-O 3.44Å; P213-D215 PolarHBondContact O-N 2.89Å
216G97.5Very high97.7Very high17 Ų1744.7 Ų44.718%0.17524%0.236CC..SBendtrans117.5168.3179.500000112.8R196 L218 L219 D220R196-G216 VanDerWaalsContact CZ-C 3.46Å; R196-G216 VanDerWaalsContact CZ-N 3.32Å; R196-G216 VanDerWaalsContact NH1-N 3.18Å; R196-G216 VanDerWaalsContact NH2-N 3.15Å; R196-G216 PolarHBondContact NH2-O 2.91Å; G216-L218 PolarHBondContact O-N 3.39Å; G216-L218 VanDerWaalsContact O-N 3.09Å; G216-L219 WeakPolarHBondContact O-CB 3.48Å; G216-L219 PolarHBondContact O-N 3.09Å; G216-D220 PolarHBondContact O-N 3.35Å; G216-D220 VanDerWaalsContact O-N 3.13Å
217F98.1Very high97.7Very high34 Ų3444.4 Ų44.415%0.14924%0.236CC..Hα-helixtrans-59.9-25-179.774.1-92000113S194 R196 L197 Q202 I203 L206 D220 L221S194-F217 WeakPolarHBondContact OG-CB 3.31Å; R196-F217 HydrophobicContact CB-CB 4.12Å; L197-F217 HydrophobicContact CB-CB 4.26Å; L197-F217 HydrophobicContact CD1-CD2 4.19Å; L197-F217 HydrophobicContact CD1-CE2 4.43Å; Q202-F217 HydrophobicContact CB-CE1 4.45Å; Q202-F217 HydrophobicContact CB-CZ 4.1Å; I203-F217 HydrophobicContact CG1-CE2 4.19Å; L206-F217 HydrophobicContact CD1-CE2 3.76Å; L206-F217 HydrophobicContact CD1-CZ 3.74Å; L206-F217 HydrophobicContact CD2-CZ 4.2Å; L206-F217 HydrophobicContact CG-CZ 4.12Å; F217-D220 PolarHBondContact O-N 2.98Å; F217-L221 HydrophobicContact CD2-CD1 3.99Å; F217-L221 HydrophobicContact CE2-CD1 4.37Å; F217-L221 VanDerWaalsContact O-CG 3.23Å; F217-L221 WeakPolarHBondContact O-CG 3.47Å; F217-L221 PolarHBondContact O-N 2.81Å
218L98.3Very high97.4Very high8 Ų842.1 Ų42.14%0.04223%0.229CC..Hα-helixtrans-63-46.4175.1-158.4164.7000110.8L178 L206 I210 L212 P213 G216 D220 L221 L222L178-L218 HydrophobicContact CD1-CD1 3.98Å; L178-L218 HydrophobicContact CD1-CD2 4.22Å; L178-L218 HydrophobicContact CD1-CG 3.67Å; L178-L218 HydrophobicContact CD2-CD2 3.91Å; L178-L218 HydrophobicContact CD2-CG 4.29Å; L206-L218 HydrophobicContact CD1-CD1 4.21Å; I210-L218 HydrophobicContact CD1-CD1 3.63Å; I210-L218 HydrophobicContact CG1-CD1 4.06Å; I210-L218 HydrophobicContact CG2-CD1 4.04Å; L212-L218 HydrophobicContact CD1-CD2 3.37Å; P213-L218 HydrophobicContact CG-CB 4.12Å; G216-L218 PolarHBondContact O-N 3.39Å; G216-L218 VanDerWaalsContact O-N 3.09Å; L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 2.98Å; L218-L221 PolarHBondContact O-N 2.97Å; L218-L222 HydrophobicContact CD2-CD1 4.43Å
219L98.5Very high96.8Very high12 Ų1248.6 Ų48.66%0.06326%0.26CS..Hα-helixtrans-58.9-47.4172.4-176.980.1000110.2L212 N214 G216 L221 L222 W223 A241L212-L219 HydrophobicContact CD1-CB 4.42Å; L212-L219 HydrophobicContact CD1-CD1 4.17Å; L212-L219 HydrophobicContact CD2-CD1 4.16Å; L212-L219 HydrophobicContact CG-CD1 4.19Å; N214-L219 WeakPolarHBondContact O-CD2 3.42Å; G216-L219 WeakPolarHBondContact O-CB 3.48Å; G216-L219 PolarHBondContact O-N 3.09Å; L219-L221 VanDerWaalsContact C-N 3.3Å; L219-L221 PolarHBondContact O-N 2.71Å; L219-L222 PolarHBondContact O-N 2.89Å; L219-W223 VanDerWaalsContact CD1-CD1 3.4Å; L219-W223 HydrophobicContact CD1-CG 4.23Å; L219-W223 HydrophobicContact CG-CG 4.43Å; L219-W223 WeakPolarHBondContact O-CB 3.49Å; L219-W223 PolarHBondContact O-N 3.17Å; L219-A241 HydrophobicContact CD2-CB 4.44Å
220D98.6Very high96Very high1 Ų146.5 Ų46.51%0.00525%0.254CS..Hα-helixtrans-61.6-38.4-175.9-54.8-21.3000112.7S194 R196 G216 F217 L218 L222 W223 A224 S242S194-D220 VanDerWaalsContact CB-OD2 3.29Å; S194-D220 WeakPolarHBondContact CB-OD2 3.4Å; S194-D220 PolarHBondContact OG-OD2 3.4Å; R196-D220 IonicContact CZ-OD1 3.57Å; R196-D220 IonicContact CZ-OD2 3.72Å; R196-D220 IonicContact NE-OD2 2.85Å; R196-D220 PolarHBondContact NE-OD2 3.03Å; R196-D220 IonicContact NH2-OD1 3.18Å; R196-D220 PolarHBondContact NH2-OD1 2.8Å; R196-D220 IonicContact NH2-OD2 3.89Å; R196-D220 PolarHBondContact NH2-OD2 3.02Å; G216-D220 PolarHBondContact O-N 3.35Å; G216-D220 VanDerWaalsContact O-N 3.13Å; F217-D220 PolarHBondContact O-N 2.98Å; L218-D220 VanDerWaalsContact C-N 3.31Å; L218-D220 PolarHBondContact O-N 2.98Å; D220-L222 PolarHBondContact O-N 3.26Å; D220-L222 VanDerWaalsContact O-N 3.13Å; D220-W223 PolarHBondContact O-N 3.4Å; D220-A224 WeakPolarHBondContact O-CB 3.41Å; D220-A224 PolarHBondContact O-N 3.46Å; D220-S242 VanDerWaalsContact CA-OG 3.28Å; D220-S242 WeakPolarHBondContact CA-OG 3.31Å; D220-S242 PolarHBondContact OD1-OG 3.24Å
221L98.8Very high95.6Very high0 Ų055.1 Ų55.10%028%0.284CS..Hα-helixtrans-58.6-24.8174.6-73.6174000112.6L178 F187 V189 G191 L197 I203 F217 L218 L219L178-L221 HydrophobicContact CB-CD1 4.44Å; F187-L221 HydrophobicContact CE1-CD2 4.13Å; F187-L221 HydrophobicContact CZ-CD2 3.86Å; V189-L221 HydrophobicContact CG2-CB 3.76Å; V189-L221 HydrophobicContact CG2-CD2 3.74Å; V189-L221 HydrophobicContact CG2-CG 4.27Å; V189-L221 WeakPolarHBondContact CG2-O 3.26Å; G191-L221 WeakPolarHBondContact CA-O 3.31Å; G191-L221 PolarHBondContact N-O 3.24Å; L197-L221 HydrophobicContact CD2-CD2 4Å; I203-L221 HydrophobicContact CD1-CD1 3.83Å; I203-L221 HydrophobicContact CD1-CD2 4.26Å; I203-L221 HydrophobicContact CG1-CD1 4.06Å; F217-L221 HydrophobicContact CD2-CD1 3.99Å; F217-L221 HydrophobicContact CE2-CD1 4.37Å; F217-L221 VanDerWaalsContact O-CG 3.23Å; F217-L221 WeakPolarHBondContact O-CG 3.47Å; F217-L221 PolarHBondContact O-N 2.81Å; L218-L221 PolarHBondContact O-N 2.97Å; L219-L221 VanDerWaalsContact C-N 3.3Å; L219-L221 PolarHBondContact O-N 2.71Å
222L98.7Very high95.6Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-102.8-17.6-178.6-52.5-169.7000113.7R138 N140 L178 H190 L212 L218 L219 D220R138-L222 HydrophobicContact CB-CD2 4.41Å; R138-L222 HydrophobicContact CG-CD1 4.15Å; R138-L222 WeakPolarHBondContact O-CD2 3.46Å; N140-L222 HydrophobicContact CB-CB 4.19Å; L178-L222 HydrophobicContact CD2-CD2 4.47Å; H190-L222 HydrophobicContact CB-CD2 4.32Å; H190-L222 PolarHBondContact CD2-O 3.12Å; L212-L222 HydrophobicContact CD1-CD1 3.72Å; L212-L222 HydrophobicContact CD1-CG 4.44Å; L212-L222 HydrophobicContact CD2-CD1 4.27Å; L218-L222 HydrophobicContact CD2-CD1 4.43Å; L219-L222 PolarHBondContact O-N 2.89Å; D220-L222 PolarHBondContact O-N 3.26Å; D220-L222 VanDerWaalsContact O-N 3.13Å
223W98.6Very high95.6Very high33 Ų3352.4 Ų52.413%0.12527%0.273CS..Hα-helixtrans-129.7-12.3-168.8-74.892.6000115.2N140 V146 L219 D220 R239 A241 S242N140-W223 HydrophobicContact CB-CD2 3.93Å; N140-W223 VanDerWaalsContact CB-CE2 3.43Å; N140-W223 HydrophobicContact CB-CG 4.24Å; N140-W223 HydrophobicContact CB-CZ2 3.8Å; N140-W223 WeakPolarHBondContact ND2-CH2 3.05Å; N140-W223 WeakPolarHBondContact ND2-CZ2 3.39Å; V146-W223 HydrophobicContact CG2-CH2 4.21Å; V146-W223 HydrophobicContact CG2-CZ2 3.59Å; L219-W223 VanDerWaalsContact CD1-CD1 3.4Å; L219-W223 HydrophobicContact CD1-CG 4.23Å; L219-W223 HydrophobicContact CG-CG 4.43Å; L219-W223 WeakPolarHBondContact O-CB 3.49Å; L219-W223 PolarHBondContact O-N 3.17Å; D220-W223 PolarHBondContact O-N 3.4Å; W223-R239 HydrophobicContact CE3-CB 3.97Å; W223-R239 HydrophobicContact CE3-CG 4.34Å; W223-R239 HydrophobicContact CZ3-CB 4.26Å; W223-A241 HydrophobicContact CD2-CB 4.09Å; W223-A241 HydrophobicContact CE3-CB 4.1Å; W223-A241 HydrophobicContact CG-CB 4.35Å; W223-S242 VanDerWaalsContact CB-CB 3.49Å
224A98.5Very high95.6Very high0 Ų053.7 Ų53.70%028%0.275CS..  trans-67.6143.7179.600000111.3G191 G192 I193 D220 S242 F243 F245 R264G191-A224 CarbonylContact C-O 3.59Å; G192-A224 PolarHBondContact N-O 3.08Å; I193-A224 WeakPolarHBondContact O-CB 3.41Å; D220-A224 WeakPolarHBondContact O-CB 3.41Å; D220-A224 PolarHBondContact O-N 3.46Å; A224-S242 VanDerWaalsContact CA-OG 3.3Å; A224-S242 WeakPolarHBondContact CA-OG 3.4Å; A224-S242 WeakPolarHBondContact CB-OG 3.19Å; A224-S242 PolarHBondContact N-OG 3.43Å; A224-F243 WeakPolarHBondContact CA-O 3.5Å; A224-F243 WeakPolarHBondContact CB-O 3.18Å; A224-F245 HydrophobicContact CB-CD1 4.19Å; A224-F245 HydrophobicContact CB-CE1 4.11Å; A224-R264 PolarHBondContact O-NH2 2.63Å
225D98.5Very high95.8Very high4 Ų450.8 Ų50.82%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-122.5144.5179.1-72.6-40.7000111.1N236 R239 F243 T244 F245 R264 H266 E267D225-N236 PolarHBondContact OD2-ND2 3.39Å; D225-R239 IonicContact OD1-NH2 3.84Å; D225-R239 WeakPolarHBondContact OD2-CG 3.36Å; D225-R239 IonicContact OD2-CZ 3.72Å; D225-R239 IonicContact OD2-NE 3.94Å; D225-R239 PolarHBondContact OD2-NE 3.13Å; D225-R239 IonicContact OD2-NH2 2.71Å; D225-R239 PolarHBondContact OD2-NH2 3.47Å; D225-F243 PolarHBondContact N-O 3.41Å; D225-T244 HydrophobicContact CB-CG2 4.45Å; D225-T244 CarbonylContact O-C 3.5Å; D225-T244 WeakPolarHBondContact O-CA 3.41Å; D225-F245 WeakPolarHBondContact O-CD1 3.44Å; D225-F245 WeakPolarHBondContact O-CE1 3.46Å; D225-F245 PolarHBondContact O-N 3.49Å; D225-R264 IonicContact OD1-CZ 3.81Å; D225-R264 IonicContact OD1-NH1 2.65Å; D225-R264 PolarHBondContact OD1-NH1 3.29Å; D225-R264 IonicContact OD1-NH2 3.95Å; D225-H266 IonicContact OD1-CD2 3.24Å; D225-H266 PolarHBondContact OD1-CD2 2.96Å; D225-H266 VanDerWaalsContact OD1-CD2 3.24Å; D225-H266 IonicContact OD1-NE2 3.56Å; D225-E267 WeakPolarHBondContact OD1-CG 3.44Å
226P98.1Very high95.8Very high19 Ų1946.5 Ų46.512%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-63.2149.7164.132.4-36.8000110.5F245 E267 W277 L281P226-F245 WeakPolarHBondContact CA-O 3.43Å; P226-F245 HydrophobicContact CB-CE2 4.07Å; P226-F245 HydrophobicContact CB-CZ 4.07Å; P226-E267 WeakPolarHBondContact CD-OE2 3.43Å; P226-E267 WeakPolarHBondContact CG-OE2 3.35Å; P226-W277 HydrophobicContact CB-CH2 3.39Å; P226-W277 HydrophobicContact CB-CZ2 3.94Å; P226-W277 HydrophobicContact CB-CZ3 4.16Å; P226-L281 HydrophobicContact CB-CD2 3.52Å; P226-L281 HydrophobicContact CG-CD2 3.81Å
227S96.4Very high95.7Very high28 Ų2854.1 Ų54.120%0.19627%0.273CS..  trans-133.7137.2168.5-175.20000111.3E229 F245S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 WeakPolarHBondContact CB-O 3.27Å; S227-E229 PolarHBondContact OG-N 3.41Å; S227-E229 VanDerWaalsContact OG-N 3.09Å; S227-E229 PolarHBondContact OG-O 3.3Å; S227-F245 PolarHBondContact N-O 2.92Å
228Q91.9Very high95.5Very high135 Ų13560.5 Ų60.563%0.63131%0.305SS*.SBendtrans-78.2-24.7169.2-58.4-63.9-11.200111.3
229E85.7Confident95.3Very high164 Ų16463.4 Ų63.477%0.76632%0.315SS*.SBendtrans-104123-178.4-59.4-176.9-179.900108.8S227S227-E229 VanDerWaalsContact C-N 3.33Å; S227-E229 WeakPolarHBondContact CB-O 3.27Å; S227-E229 PolarHBondContact OG-N 3.41Å; S227-E229 VanDerWaalsContact OG-N 3.09Å; S227-E229 PolarHBondContact OG-O 3.3Å
230G80.8Confident95.2Very high41 Ų4170.1 Ų70.142%0.42335%0.351SS..SBendtrans122.7176.8176.500000115E234G230-E234 VanDerWaalsContact CA-OE1 3.22Å; G230-E234 WeakPolarHBondContact CA-OE1 3.45Å
231R89.7Confident95.1Very high222 Ų22271.2 Ų71.284%0.83836%0.361SS*.SBendtrans-135125178.6-67.9-176.7-178.2-179.72110.5E234R231-E234 PolarHBondContact N-OE1 3.29Å
232G96.5Very high95Very high26 Ų2671.9 Ų71.927%0.26837%0.365SS..SBendtrans85.4-139177.300000111.3F245 S246 T249G232-F245 WeakPolarHBondContact O-CA 3.22Å; G232-S246 PolarHBondContact N-OG 3.18Å; G232-S246 PolarHBondContact O-N 2.79Å; G232-T249 WeakPolarHBondContact CA-OG1 3.24Å; G232-T249 PolarHBondContact N-OG1 2.92Å; G232-T249 PolarHBondContact O-OG1 2.84Å
233F97.7Very high95Very high54 Ų5474 Ų7424%0.23738%0.375CS..EExtended strand (participates in β ladder)trans-106.3132.2169.3-69.8-93.1000109.2I193 F195 F243 T244 F245 T249I193-F233 HydrophobicContact CD1-CE1 4.27Å; I193-F233 HydrophobicContact CD1-CZ 3.86Å; I193-F233 HydrophobicContact CG1-CE1 4.04Å; I193-F233 HydrophobicContact CG1-CZ 4.08Å; F195-F233 HydrophobicContact CB-CD1 4.46Å; F195-F233 HydrophobicContact CB-CD2 3.53Å; F195-F233 HydrophobicContact CB-CE1 4.45Å; F195-F233 HydrophobicContact CB-CE2 3.5Å; F195-F233 VanDerWaalsContact CB-CE2 3.5Å; F195-F233 HydrophobicContact CB-CG 4.02Å; F195-F233 HydrophobicContact CB-CZ 3.99Å; F195-F233 HydrophobicContact CD1-CB 4.24Å; F195-F233 HydrophobicContact CD1-CD1 4.29Å; F195-F233 HydrophobicContact CD1-CD2 4.45Å; F195-F233 HydrophobicContact CD1-CG 4.09Å; F195-F233 HydrophobicContact CG-CD2 4.43Å; F233-F243 HydrophobicContact CB-CB 4.39Å; F233-F243 HydrophobicContact CD1-CB 4.23Å; F233-T244 VanDerWaalsContact CA-O 3.25Å; F233-T244 WeakPolarHBondContact CA-O 3.48Å; F233-F245 HydrophobicContact CD1-CB 3.87Å; F233-F245 HydrophobicContact CE1-CB 3.76Å; F233-F245 HydrophobicContact CZ-CB 4.4Å; F233-T249 HydrophobicContact CD2-CG2 3.5Å; F233-T249 HydrophobicContact CE1-CG2 4.29Å; F233-T249 HydrophobicContact CE2-CG2 3.08Å; F233-T249 HydrophobicContact CG-CG2 4.29Å; F233-T249 HydrophobicContact CZ-CG2 3.54Å
234E97.2Very high95Very high78 Ų7873.5 Ų73.536%0.36438%0.375SS..EExtended strand (participates in β ladder)trans-128.9150.3179.3-67.5176.4-172.600109.7G230 R231 N236 F243 T244G230-E234 VanDerWaalsContact CA-OE1 3.22Å; G230-E234 WeakPolarHBondContact CA-OE1 3.45Å; R231-E234 PolarHBondContact N-OE1 3.29Å; E234-N236 PolarHBondContact O-N 2.84Å; E234-F243 CarbonylContact O-C 3.39Å; E234-F243 WeakPolarHBondContact O-CA 3.4Å; E234-F243 VanDerWaalsContact O-CB 3.31Å; E234-F243 WeakPolarHBondContact O-CB 3.28Å; E234-T244 PolarHBondContact N-O 3.46Å; E234-T244 PolarHBondContact O-N 3.39Å; E234-T244 PolarHBondContact O-OG1 2.92Å
235P96.7Very high95Very high92 Ų9273.5 Ų73.560%0.59738%0.375SS*.EExtended strand (participates in β ladder)trans-55.2132.4177.1-25.435.3000111.8E237P235-E237 PolarHBondContact O-N 3.48Å; P235-E237 VanDerWaalsContact O-N 3.1Å
236N96.7Very high94.9Very high9 Ų973.7 Ų73.75%0.04838%0.377CS..  trans-84.887.2178-171-19.1000110.3D225 E234 M238 R239 N240 A241 S242 T244D225-N236 PolarHBondContact OD2-ND2 3.39Å; E234-N236 PolarHBondContact O-N 2.84Å; N236-M238 VanDerWaalsContact C-N 3.27Å; N236-M238 PolarHBondContact O-N 3.01Å; N236-M238 PolarHBondContact OD1-N 3.05Å; N236-R239 HydrophobicContact CB-CB 4.43Å; N236-R239 VanDerWaalsContact CG-CG 3.49Å; N236-R239 WeakPolarHBondContact ND2-CG 3.22Å; N236-R239 PolarHBondContact O-N 2.99Å; N236-R239 WeakPolarHBondContact OD1-CG 3.49Å; N236-R239 PolarHBondContact OD1-N 3.42Å; N236-R239 VanDerWaalsContact OD1-N 3.15Å; N236-N240 PolarHBondContact O-N 3.34Å; N236-A241 WeakPolarHBondContact CB-O 3.18Å; N236-S242 PolarHBondContact N-O 2.82Å; N236-T244 HydrophobicContact CB-CG2 3.95Å
237E94.6Very high94.9Very high177 Ų17776.1 Ų76.183%0.82739%0.386SS*.THydrogen-bonded Turntrans-62.1-33.6-179-62.3-172.617100112.6P235 R239 N240P235-E237 PolarHBondContact O-N 3.48Å; P235-E237 VanDerWaalsContact O-N 3.1Å; E237-R239 VanDerWaalsContact C-N 3.34Å; E237-R239 PolarHBondContact O-N 3.23Å; E237-N240 PolarHBondContact O-N 3.46Å
238M94.5Very high95Very high167 Ų16778.5 Ų78.582%0.82340%0.403SS*.THydrogen-bonded Turntrans-64.1-40.1178.9-178.1-175.3-82.700111.7N236N236-M238 VanDerWaalsContact C-N 3.27Å; N236-M238 PolarHBondContact O-N 3.01Å; N236-M238 PolarHBondContact OD1-N 3.05Å
239R94.8Very high95.2Very high69 Ų6973 Ų7326%0.2638%0.379SS..THydrogen-bonded Turntrans-86.9-19.5178.6-56.9-56.6-178.3167.710.3113.1W223 D225 N236 E237 A241W223-R239 HydrophobicContact CE3-CB 3.97Å; W223-R239 HydrophobicContact CE3-CG 4.34Å; W223-R239 HydrophobicContact CZ3-CB 4.26Å; D225-R239 IonicContact OD1-NH2 3.84Å; D225-R239 WeakPolarHBondContact OD2-CG 3.36Å; D225-R239 IonicContact OD2-CZ 3.72Å; D225-R239 IonicContact OD2-NE 3.94Å; D225-R239 PolarHBondContact OD2-NE 3.13Å; D225-R239 IonicContact OD2-NH2 2.71Å; D225-R239 PolarHBondContact OD2-NH2 3.47Å; N236-R239 HydrophobicContact CB-CB 4.43Å; N236-R239 VanDerWaalsContact CG-CG 3.49Å; N236-R239 WeakPolarHBondContact ND2-CG 3.22Å; N236-R239 PolarHBondContact O-N 2.99Å; N236-R239 WeakPolarHBondContact OD1-CG 3.49Å; N236-R239 PolarHBondContact OD1-N 3.42Å; N236-R239 VanDerWaalsContact OD1-N 3.15Å; E237-R239 VanDerWaalsContact C-N 3.34Å; E237-R239 PolarHBondContact O-N 3.23Å; R239-A241 PolarHBondContact O-N 3.29Å
240N95.7Very high95.8Very high153 Ų15365.2 Ų65.282%0.81834%0.342SS*.THydrogen-bonded Turntrans50.634.3-168.1-168.841.1000112.3N236 E237N236-N240 PolarHBondContact O-N 3.34Å; E237-N240 PolarHBondContact O-N 3.46Å
241A96.4Very high96.7Very high25 Ų2566.2 Ų66.221%0.20733%0.333CS..SBendtrans-161.9147.8-178.500000108.6L219 W223 N236 R239L219-A241 HydrophobicContact CD2-CB 4.44Å; W223-A241 HydrophobicContact CD2-CB 4.09Å; W223-A241 HydrophobicContact CE3-CB 4.1Å; W223-A241 HydrophobicContact CG-CB 4.35Å; N236-A241 WeakPolarHBondContact CB-O 3.18Å; R239-A241 PolarHBondContact O-N 3.29Å
242S97.5Very high97Very high13 Ų1361.3 Ų61.39%0.09132%0.319CS..SBendtrans58.9-157.7178-173.40000113D220 W223 A224 N236D220-S242 VanDerWaalsContact CA-OG 3.28Å; D220-S242 WeakPolarHBondContact CA-OG 3.31Å; D220-S242 PolarHBondContact OD1-OG 3.24Å; W223-S242 VanDerWaalsContact CB-CB 3.49Å; A224-S242 VanDerWaalsContact CA-OG 3.3Å; A224-S242 WeakPolarHBondContact CA-OG 3.4Å; A224-S242 WeakPolarHBondContact CB-OG 3.19Å; A224-S242 PolarHBondContact N-OG 3.43Å; N236-S242 PolarHBondContact N-O 2.82Å
243F97.8Very high97.1Very high46 Ų4660.8 Ų60.820%0.20231%0.309CS..EExtended strand (participates in β ladder)trans-135.1153.1-171.4-61.3-93.4000110.1F195 A224 D225 F233 E234F195-F243 HydrophobicContact CD1-CD2 4.48Å; F195-F243 HydrophobicContact CE1-CD1 4.25Å; F195-F243 AromaticContact CE1-CD2 3.85Å; F195-F243 HydrophobicContact CE1-CD2 3.85Å; F195-F243 HydrophobicContact CE1-CE1 4.01Å; F195-F243 AromaticContact CE1-CE2 3.6Å; F195-F243 HydrophobicContact CE1-CE2 3.6Å; F195-F243 HydrophobicContact CE1-CG 4.19Å; F195-F243 AromaticContact CE1-CZ 3.69Å; F195-F243 HydrophobicContact CE1-CZ 3.69Å; F195-F243 HydrophobicContact CZ-CE2 4.29Å; F195-F243 HydrophobicContact CZ-CZ 4.14Å; A224-F243 WeakPolarHBondContact CA-O 3.5Å; A224-F243 WeakPolarHBondContact CB-O 3.18Å; D225-F243 PolarHBondContact N-O 3.41Å; F233-F243 HydrophobicContact CB-CB 4.39Å; F233-F243 HydrophobicContact CD1-CB 4.23Å; E234-F243 CarbonylContact O-C 3.39Å; E234-F243 WeakPolarHBondContact O-CA 3.4Å; E234-F243 VanDerWaalsContact O-CB 3.31Å; E234-F243 WeakPolarHBondContact O-CB 3.28Å
244T98.3Very high97.2Very high21 Ų2158.3 Ų58.313%0.12930%0.299CS..EExtended strand (participates in β ladder)trans-84.7161.5159.960.90000110.4D225 F233 E234 N236D225-T244 HydrophobicContact CB-CG2 4.45Å; D225-T244 CarbonylContact O-C 3.5Å; D225-T244 WeakPolarHBondContact O-CA 3.41Å; F233-T244 VanDerWaalsContact CA-O 3.25Å; F233-T244 WeakPolarHBondContact CA-O 3.48Å; E234-T244 PolarHBondContact N-O 3.46Å; E234-T244 PolarHBondContact O-N 3.39Å; E234-T244 PolarHBondContact O-OG1 2.92Å; N236-T244 HydrophobicContact CB-CG2 3.95Å
245F98.5Very high97.2Very high0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-137.4138.617357.8-87.8000112.5I193 A224 D225 P226 S227 G232 F233 T249 L250 L262 W277I193-F245 HydrophobicContact CD1-CB 4.35Å; I193-F245 HydrophobicContact CD1-CD2 3.98Å; I193-F245 HydrophobicContact CD1-CE2 4.5Å; I193-F245 HydrophobicContact CD1-CG 4.08Å; I193-F245 HydrophobicContact CG1-CB 4.24Å; I193-F245 HydrophobicContact CG1-CD1 3.79Å; I193-F245 HydrophobicContact CG1-CD2 3.84Å; I193-F245 HydrophobicContact CG1-CE1 4.1Å; I193-F245 HydrophobicContact CG1-CE2 4.12Å; I193-F245 HydrophobicContact CG1-CG 3.66Å; I193-F245 HydrophobicContact CG1-CZ 4.25Å; A224-F245 HydrophobicContact CB-CD1 4.19Å; A224-F245 HydrophobicContact CB-CE1 4.11Å; D225-F245 WeakPolarHBondContact O-CD1 3.44Å; D225-F245 WeakPolarHBondContact O-CE1 3.46Å; D225-F245 PolarHBondContact O-N 3.49Å; P226-F245 WeakPolarHBondContact CA-O 3.43Å; P226-F245 HydrophobicContact CB-CE2 4.07Å; P226-F245 HydrophobicContact CB-CZ 4.07Å; S227-F245 PolarHBondContact N-O 2.92Å; G232-F245 WeakPolarHBondContact O-CA 3.22Å; F233-F245 HydrophobicContact CD1-CB 3.87Å; F233-F245 HydrophobicContact CE1-CB 3.76Å; F233-F245 HydrophobicContact CZ-CB 4.4Å; F245-T249 HydrophobicContact CB-CG2 4.22Å; F245-L250 HydrophobicContact CD2-CB 4.07Å; F245-L250 HydrophobicContact CE2-CB 4.21Å; F245-L250 HydrophobicContact CE2-CD1 4.36Å; F245-L250 HydrophobicContact CE2-CD2 4.36Å; F245-L262 HydrophobicContact CE2-CD2 4.13Å; F245-L262 HydrophobicContact CZ-CD2 3.85Å; F245-W277 HydrophobicContact CD2-CH2 4.2Å; F245-W277 HydrophobicContact CD2-CZ3 4.19Å; F245-W277 HydrophobicContact CE2-CH2 4.09Å; F245-W277 AromaticContact CE2-CZ3 3.89Å; F245-W277 HydrophobicContact CE2-CZ3 3.89Å
246S98Very high97.2Very high9 Ų961.3 Ų61.36%0.06331%0.314CS..  trans-80.2165.1179.170.90000113.4G232 S248 T249 L250G232-S246 PolarHBondContact N-OG 3.18Å; G232-S246 PolarHBondContact O-N 2.79Å; S246-S248 PolarHBondContact O-N 2.67Å; S246-S248 PolarHBondContact OG-OG 3.43Å; S246-S248 VanDerWaalsContact OG-OG 3.05Å; S246-T249 VanDerWaalsContact O-CB 3.28Å; S246-T249 WeakPolarHBondContact O-CB 3.34Å; S246-T249 PolarHBondContact O-N 2.89Å; S246-T249 VanDerWaalsContact O-N 3.11Å; S246-T249 PolarHBondContact OG-OG1 3.42Å; S246-L250 PolarHBondContact O-N 2.58Å
247E97.9Very high97.3Very high70 Ų7062.4 Ų62.433%0.32732%0.319SS..Hα-helixtrans-51.9-51.4174.4175.7171.6-17200113.1T249 L250 R251 W277E247-T249 PolarHBondContact O-N 3.41Å; E247-L250 PolarHBondContact O-N 3.42Å; E247-R251 HydrophobicContact CG-CG 4.42Å; E247-R251 WeakPolarHBondContact O-CG 3.39Å; E247-R251 PolarHBondContact O-N 3.21Å; E247-R251 IonicContact OE1-CZ 3.83Å; E247-R251 IonicContact OE1-NE 2.82Å; E247-R251 PolarHBondContact OE1-NE 3.1Å; E247-R251 IonicContact OE1-NH2 2.79Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å; E247-W277 HydrophobicContact CB-CD2 3.7Å; E247-W277 HydrophobicContact CB-CE3 4.24Å; E247-W277 HydrophobicContact CB-CG 3.82Å; E247-W277 HydrophobicContact CB-CZ2 4.17Å; E247-W277 VanDerWaalsContact CD-CD1 3.45Å; E247-W277 HydrophobicContact CG-CB 3.77Å; E247-W277 HydrophobicContact CG-CD2 3.87Å; E247-W277 HydrophobicContact CG-CE3 4.42Å; E247-W277 HydrophobicContact CG-CG 3.54Å; E247-W277 WeakPolarHBondContact OE1-CB 3.26Å
248S97.1Very high97.4Very high78 Ų7856.8 Ų56.855%0.54531%0.309SS..Hα-helixtrans-59.4-35.2-179.652.60000112S246 H252S246-S248 PolarHBondContact O-N 2.67Å; S246-S248 PolarHBondContact OG-OG 3.43Å; S246-S248 VanDerWaalsContact OG-OG 3.05Å; S248-H252 WeakPolarHBondContact O-CB 3.3Å; S248-H252 PolarHBondContact O-N 2.87Å
249T97.9Very high97.6Very high19 Ų1949.6 Ų49.612%0.11727%0.273CS..Hα-helixtrans-68.2-47.1177.3-56.40000111.2I193 G232 F233 F245 S246 E247 H252 W253I193-T249 HydrophobicContact CD1-CG2 4.42Å; G232-T249 WeakPolarHBondContact CA-OG1 3.24Å; G232-T249 PolarHBondContact N-OG1 2.92Å; G232-T249 PolarHBondContact O-OG1 2.84Å; F233-T249 HydrophobicContact CD2-CG2 3.5Å; F233-T249 HydrophobicContact CE1-CG2 4.29Å; F233-T249 HydrophobicContact CE2-CG2 3.08Å; F233-T249 HydrophobicContact CG-CG2 4.29Å; F233-T249 HydrophobicContact CZ-CG2 3.54Å; F245-T249 HydrophobicContact CB-CG2 4.22Å; S246-T249 VanDerWaalsContact O-CB 3.28Å; S246-T249 WeakPolarHBondContact O-CB 3.34Å; S246-T249 PolarHBondContact O-N 2.89Å; S246-T249 VanDerWaalsContact O-N 3.11Å; S246-T249 PolarHBondContact OG-OG1 3.42Å; E247-T249 PolarHBondContact O-N 3.41Å; T249-H252 PolarHBondContact O-N 3.25Å; T249-W253 VanDerWaalsContact O-CB 3.3Å; T249-W253 WeakPolarHBondContact O-CB 3.29Å; T249-W253 PolarHBondContact O-N 3.02Å
250L98.4Very high97.8Very high0 Ų049.9 Ų49.90%028%0.278CS..Hα-helixtrans-62.3-45.1176.2179.663.6000111.2I193 F245 S246 E247 H252 W253 L254 L262 W277 K280 L281I193-L250 HydrophobicContact CD1-CB 4.33Å; I193-L250 HydrophobicContact CD1-CD1 3.83Å; I193-L250 HydrophobicContact CG1-CD1 4.37Å; I193-L250 HydrophobicContact CG2-CD1 4.09Å; F245-L250 HydrophobicContact CD2-CB 4.07Å; F245-L250 HydrophobicContact CE2-CB 4.21Å; F245-L250 HydrophobicContact CE2-CD1 4.36Å; F245-L250 HydrophobicContact CE2-CD2 4.36Å; S246-L250 PolarHBondContact O-N 2.58Å; E247-L250 PolarHBondContact O-N 3.42Å; L250-H252 PolarHBondContact O-N 3.02Å; L250-W253 HydrophobicContact CD1-CE3 4.49Å; L250-W253 PolarHBondContact O-N 3.49Å; L250-L254 HydrophobicContact CD1-CD1 4.15Å; L250-L254 HydrophobicContact CD1-CD2 4.43Å; L250-L254 HydrophobicContact CD1-CG 3.96Å; L250-L254 HydrophobicContact CD2-CD1 4.3Å; L250-L254 HydrophobicContact CG-CD1 3.87Å; L250-L254 HydrophobicContact CG-CG 4.15Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 3.01Å; L250-L262 HydrophobicContact CD1-CB 3.94Å; L250-L262 HydrophobicContact CD1-CD2 3.76Å; L250-L262 HydrophobicContact CD2-CB 4.15Å; L250-L262 HydrophobicContact CD2-CD2 4.25Å; L250-W277 HydrophobicContact CB-CE3 4.24Å; L250-W277 HydrophobicContact CB-CZ3 3.85Å; L250-W277 HydrophobicContact CD2-CE3 3.64Å; L250-W277 HydrophobicContact CD2-CZ3 3.61Å; L250-W277 HydrophobicContact CG-CZ3 4.35Å; L250-K280 HydrophobicContact CD2-CB 4.4Å; L250-L281 HydrophobicContact CD2-CB 3.85Å; L250-L281 HydrophobicContact CD2-CD1 4.38Å
251R97.9Very high97.9Very high62 Ų6243 Ų4323%0.23424%0.24CC..Hα-helixtrans-57.9-49.6179.1-73.1177-179.5-88.95.6111.3E247 W253 L254 E255 W277 D278 K280E247-R251 HydrophobicContact CG-CG 4.42Å; E247-R251 WeakPolarHBondContact O-CG 3.39Å; E247-R251 PolarHBondContact O-N 3.21Å; E247-R251 IonicContact OE1-CZ 3.83Å; E247-R251 IonicContact OE1-NE 2.82Å; E247-R251 PolarHBondContact OE1-NE 3.1Å; E247-R251 IonicContact OE1-NH2 2.79Å; E247-R251 PolarHBondContact OE1-NH2 3.32Å; R251-W253 VanDerWaalsContact C-N 3.34Å; R251-W253 PolarHBondContact O-N 2.82Å; R251-L254 PolarHBondContact O-N 2.91Å; R251-E255 WeakPolarHBondContact O-CG 3.31Å; R251-E255 PolarHBondContact O-N 3.38Å; R251-W277 PolarHBondContact NH2-O 2.79Å; R251-D278 IonicContact CZ-OD2 2.67Å; R251-D278 IonicContact NH1-OD2 3.17Å; R251-D278 IonicContact NH2-OD2 3.73Å; R251-D278 PolarHBondContact NH2-OD2 3.2Å; R251-K280 HydrophobicContact CG-CG 4.29Å
252H97.6Very high98Very high119 Ų11941.8 Ų41.855%0.55123%0.23SC*.Hα-helixtrans-60.8-43.3176.3-178.962.5000112.1S248 T249 L250 E255 C256S248-H252 WeakPolarHBondContact O-CB 3.3Å; S248-H252 PolarHBondContact O-N 2.87Å; T249-H252 PolarHBondContact O-N 3.25Å; L250-H252 PolarHBondContact O-N 3.02Å; H252-E255 PolarHBondContact O-N 3.2Å; H252-C256 PolarHBondContact CE1-SG 2.85Å; H252-C256 PolarHBondContact O-N 3.1Å; H252-C256 PolarHBondContact O-SG 3.27Å; H252-C256 VanDerWaalsContact O-SG 3.34Å
253W98.2Very high98Very high15 Ų1541.1 Ų41.16%0.05723%0.226CC..Hα-helixtrans-63-44.8178.7-173.492.9000112.2F187 I193 L197 L200 T249 L250 R251 E255 C256 M257 L259F187-W253 AromaticContact CD1-CH2 3.72Å; F187-W253 HydrophobicContact CD1-CH2 3.72Å; F187-W253 HydrophobicContact CD1-CZ3 4.07Å; F187-W253 AromaticContact CE1-CH2 3.9Å; F187-W253 HydrophobicContact CE1-CH2 3.9Å; F187-W253 HydrophobicContact CG-CH2 4.11Å; F187-W253 HydrophobicContact CG-CZ3 4.45Å; F187-W253 HydrophobicContact CZ-CH2 4.42Å; I193-W253 HydrophobicContact CB-CD2 4.15Å; I193-W253 HydrophobicContact CB-CG 4.41Å; I193-W253 HydrophobicContact CD1-CB 3.77Å; I193-W253 HydrophobicContact CD1-CD2 4.26Å; I193-W253 HydrophobicContact CD1-CG 3.84Å; I193-W253 HydrophobicContact CG2-CD2 3.71Å; I193-W253 HydrophobicContact CG2-CE3 3.62Å; I193-W253 HydrophobicContact CG2-CG 4.4Å; I193-W253 HydrophobicContact CG2-CH2 3.92Å; I193-W253 HydrophobicContact CG2-CZ2 4Å; I193-W253 HydrophobicContact CG2-CZ3 3.73Å; L197-W253 HydrophobicContact CD2-CZ2 3.72Å; L197-W253 HydrophobicContact CG-CZ2 4.21Å; L197-W253 PolarHBondContact O-NE1 3.01Å; L197-W253 VanDerWaalsContact O-NE1 3.11Å; L200-W253 HydrophobicContact CD2-CH2 4.12Å; L200-W253 HydrophobicContact CD2-CZ2 4.37Å; T249-W253 VanDerWaalsContact O-CB 3.3Å; T249-W253 WeakPolarHBondContact O-CB 3.29Å; T249-W253 PolarHBondContact O-N 3.02Å; L250-W253 HydrophobicContact CD1-CE3 4.49Å; L250-W253 PolarHBondContact O-N 3.49Å; R251-W253 VanDerWaalsContact C-N 3.34Å; R251-W253 PolarHBondContact O-N 2.82Å; W253-E255 VanDerWaalsContact C-N 3.34Å; W253-E255 PolarHBondContact O-N 2.64Å; W253-C256 PolarHBondContact O-N 3.07Å; W253-M257 HydrophobicContact CD2-CE 4.49Å; W253-M257 HydrophobicContact CD2-CG 3.9Å; W253-M257 HydrophobicContact CE3-CG 4.06Å; W253-M257 HydrophobicContact CH2-CG 3.91Å; W253-M257 HydrophobicContact CZ2-CE 3.65Å; W253-M257 HydrophobicContact CZ2-CG 3.73Å; W253-M257 HydrophobicContact CZ2-SD 4.3Å; W253-M257 HydrophobicContact CZ3-CB 4.46Å; W253-M257 HydrophobicContact CZ3-CG 4.07Å; W253-M257 WeakPolarHBondContact O-CB 3.14Å; W253-M257 VanDerWaalsContact O-CG 3.25Å; W253-M257 WeakPolarHBondContact O-CG 3.31Å; W253-M257 PolarHBondContact O-N 3.15Å; W253-L259 HydrophobicContact CH2-CD1 3.93Å; W253-L259 HydrophobicContact CZ3-CD1 3.6Å
254L98.5Very high98.1Very high3 Ų339 Ų392%0.01622%0.217CC..Hα-helixtrans-60.3-43.7175.7-71.7172.2000111.3L250 R251 M257 G258 L259 K280L250-L254 HydrophobicContact CD1-CD1 4.15Å; L250-L254 HydrophobicContact CD1-CD2 4.43Å; L250-L254 HydrophobicContact CD1-CG 3.96Å; L250-L254 HydrophobicContact CD2-CD1 4.3Å; L250-L254 HydrophobicContact CG-CD1 3.87Å; L250-L254 HydrophobicContact CG-CG 4.15Å; L250-L254 WeakPolarHBondContact O-CB 3.48Å; L250-L254 WeakPolarHBondContact O-CG 3.4Å; L250-L254 PolarHBondContact O-N 3.01Å; R251-L254 PolarHBondContact O-N 2.91Å; L254-M257 CarbonylContact O-C 3.55Å; L254-M257 PolarHBondContact O-N 3.02Å; L254-G258 PolarHBondContact O-N 3.02Å; L254-L259 HydrophobicContact CB-CB 4.47Å; L254-L259 HydrophobicContact CD2-CB 3.64Å; L254-L259 HydrophobicContact CD2-CD1 4.29Å; L254-L259 PolarHBondContact O-N 3.47Å; L254-K280 HydrophobicContact CD1-CB 3.96Å; L254-K280 HydrophobicContact CD1-CD 4.1Å; L254-K280 HydrophobicContact CD1-CG 4.45Å
255E97.8Very high98.1Very high146 Ų14638 Ų3868%0.68221%0.21SC*.Hα-helixtrans-60.3-48.4175.5-73.9173.1-174.900112R251 H252 W253 M257 G258R251-E255 WeakPolarHBondContact O-CG 3.31Å; R251-E255 PolarHBondContact O-N 3.38Å; H252-E255 PolarHBondContact O-N 3.2Å; W253-E255 VanDerWaalsContact C-N 3.34Å; W253-E255 PolarHBondContact O-N 2.64Å; E255-M257 VanDerWaalsContact C-N 3.25Å; E255-M257 PolarHBondContact O-N 3.33Å; E255-G258 PolarHBondContact O-N 2.98Å; E255-G258 VanDerWaalsContact O-N 3.12Å
256C97.6Very high98.1Very high87 Ų8738.4 Ų38.459%0.58821%0.213SC*.Hα-helixtrans-61-34.1177.5-71.70000112.9H252 W253H252-C256 PolarHBondContact CE1-SG 2.85Å; H252-C256 PolarHBondContact O-N 3.1Å; H252-C256 PolarHBondContact O-SG 3.27Å; H252-C256 VanDerWaalsContact O-SG 3.34Å; W253-C256 PolarHBondContact O-N 3.07Å
257M97.5Very high98.1Very high31 Ų3140.3 Ų40.315%0.15322%0.22CC..Hα-helixtrans-86-6.1178.8-64.8-64.8179.800113.5L197 K198 L200 W253 L254 E255 L259L197-M257 HydrophobicContact CG-CE 4.21Å; L197-M257 WeakPolarHBondContact O-CE 3.45Å; K198-M257 WeakPolarHBondContact O-CE 3.28Å; L200-M257 HydrophobicContact CD2-SD 4.29Å; L200-M257 HydrophobicContact CG-SD 4.03Å; W253-M257 HydrophobicContact CD2-CE 4.49Å; W253-M257 HydrophobicContact CD2-CG 3.9Å; W253-M257 HydrophobicContact CE3-CG 4.06Å; W253-M257 HydrophobicContact CH2-CG 3.91Å; W253-M257 HydrophobicContact CZ2-CE 3.65Å; W253-M257 HydrophobicContact CZ2-CG 3.73Å; W253-M257 HydrophobicContact CZ2-SD 4.3Å; W253-M257 HydrophobicContact CZ3-CB 4.46Å; W253-M257 HydrophobicContact CZ3-CG 4.07Å; W253-M257 WeakPolarHBondContact O-CB 3.14Å; W253-M257 VanDerWaalsContact O-CG 3.25Å; W253-M257 WeakPolarHBondContact O-CG 3.31Å; W253-M257 PolarHBondContact O-N 3.15Å; L254-M257 CarbonylContact O-C 3.55Å; L254-M257 PolarHBondContact O-N 3.02Å; E255-M257 VanDerWaalsContact C-N 3.25Å; E255-M257 PolarHBondContact O-N 3.33Å; M257-L259 VanDerWaalsContact C-N 3.28Å; M257-L259 HydrophobicContact CB-CB 4.42Å; M257-L259 HydrophobicContact CB-CD1 3.6Å; M257-L259 HydrophobicContact CB-CG 3.74Å; M257-L259 HydrophobicContact CG-CD1 4.38Å; M257-L259 PolarHBondContact O-N 3.33Å
258G97.6Very high98Very high60 Ų6039.1 Ų39.162%0.61922%0.218SC*.THydrogen-bonded Turntrans67.927-174.700000113.7L254 E255L254-G258 PolarHBondContact O-N 3.02Å; E255-G258 PolarHBondContact O-N 2.98Å; E255-G258 VanDerWaalsContact O-N 3.12Å
259L98.5Very high98Very high15 Ų1535.8 Ų35.88%0.07919%0.194CC..  trans-103.9166.7-176.7-62.5172.7000111.5L181 F187 L200 W253 L254 M257L181-L259 HydrophobicContact CD1-CD2 3.39Å; F187-L259 HydrophobicContact CB-CD1 3.6Å; F187-L259 HydrophobicContact CG-CD1 4.23Å; L200-L259 HydrophobicContact CD1-CD1 4.26Å; L200-L259 HydrophobicContact CD1-CD2 4.37Å; W253-L259 HydrophobicContact CH2-CD1 3.93Å; W253-L259 HydrophobicContact CZ3-CD1 3.6Å; L254-L259 HydrophobicContact CB-CB 4.47Å; L254-L259 HydrophobicContact CD2-CB 3.64Å; L254-L259 HydrophobicContact CD2-CD1 4.29Å; L254-L259 PolarHBondContact O-N 3.47Å; M257-L259 VanDerWaalsContact C-N 3.28Å; M257-L259 HydrophobicContact CB-CB 4.42Å; M257-L259 HydrophobicContact CB-CD1 3.6Å; M257-L259 HydrophobicContact CB-CG 3.74Å; M257-L259 HydrophobicContact CG-CD1 4.38Å; M257-L259 PolarHBondContact O-N 3.33Å
260Q97.9Very high97.8Very high76 Ų7639.3 Ų39.336%0.35522%0.217SC..SBendtrans-113-28-176.8-61.9-170.7-27.200113.4K185 K280K185-Q260 HydrophobicContact CB-CG 4.3Å; K185-Q260 HydrophobicContact CG-CG 4.3Å; K185-Q260 PolarHBondContact O-N 3.28Å; Q260-K280 WeakPolarHBondContact O-CD 3.27Å
261M97.9Very high97.6Very high7 Ų743.2 Ų43.23%0.03424%0.236CC..EExtended strand (participates in β ladder)trans-159143.4-169.2-179.6-171.4-6800111I186 F187 V263 G279 K280 I282 M299 L326 F327I186-M261 HydrophobicContact CD1-SD 4.43Å; I186-M261 HydrophobicContact CG1-CB 4.46Å; I186-M261 HydrophobicContact CG1-SD 4.43Å; I186-M261 HydrophobicContact CG2-CB 4.49Å; I186-M261 HydrophobicContact CG2-CG 4.47Å; I186-M261 HydrophobicContact CG2-SD 4.25Å; F187-M261 PolarHBondContact N-O 3.14Å; M261-V263 HydrophobicContact CG-CG2 4.15Å; M261-V263 HydrophobicContact SD-CG2 3.77Å; M261-G279 VanDerWaalsContact CE-O 3.29Å; M261-G279 WeakPolarHBondContact CE-O 3.48Å; M261-K280 WeakPolarHBondContact CA-O 3.34Å; M261-I282 HydrophobicContact CE-CD1 3.85Å; M261-I282 HydrophobicContact CG-CD1 4.41Å; M261-I282 HydrophobicContact CG-CG1 4.41Å; M261-I282 HydrophobicContact SD-CD1 3.33Å; M261-I282 WeakPolarHBondContact SD-CD1 3.47Å; M261-I282 HydrophobicContact SD-CG1 3.94Å; M261-M299 HydrophobicContact SD-CE 4.4Å; M261-L326 HydrophobicContact CE-CB 3.99Å; M261-L326 HydrophobicContact CE-CD1 3.59Å; M261-L326 HydrophobicContact CE-CG 4.38Å; M261-F327 HydrophobicContact CE-CE2 4.38Å
262L98.8Very high97.5Very high0 Ų040.3 Ų40.30%023%0.225CC..EExtended strand (participates in β ladder)trans-99.2128.2163169.463.4000108.8F187 V189 I193 F245 L250 R264 K280 L281 I282F187-L262 HydrophobicContact CD1-CD1 3.82Å; F187-L262 HydrophobicContact CE1-CD1 4.41Å; F187-L262 CarbonylContact O-C 3.38Å; F187-L262 WeakPolarHBondContact O-CA 3.47Å; V189-L262 HydrophobicContact CG1-CD1 3.82Å; I193-L262 HydrophobicContact CG2-CD2 4.13Å; F245-L262 HydrophobicContact CE2-CD2 4.13Å; F245-L262 HydrophobicContact CZ-CD2 3.85Å; L250-L262 HydrophobicContact CD1-CB 3.94Å; L250-L262 HydrophobicContact CD1-CD2 3.76Å; L250-L262 HydrophobicContact CD2-CB 4.15Å; L250-L262 HydrophobicContact CD2-CD2 4.25Å; L262-R264 HydrophobicContact CG-CB 4.49Å; L262-K280 PolarHBondContact N-O 2.95Å; L262-L281 HydrophobicContact CB-CD1 4.3Å; L262-L281 HydrophobicContact CD2-CD1 3.77Å; L262-L281 HydrophobicContact CG-CD1 3.91Å; L262-L281 WeakPolarHBondContact O-CA 3.29Å; L262-I282 PolarHBondContact O-N 3.47Å
263V98.9Very high97.4Very high0 Ų035.9 Ų35.90%020%0.204CC..EExtended strand (participates in β ladder)trans-113.2126.7168.5176.60000107.9V77 L106 I186 F187 C188 V189 M261 I282 V284 M299V77-V263 HydrophobicContact CG1-CG1 4.09Å; L106-V263 HydrophobicContact CD1-CG1 4.19Å; I186-V263 HydrophobicContact CG2-CB 4.13Å; I186-V263 HydrophobicContact CG2-CG2 3.38Å; F187-V263 PolarHBondContact O-N 3.17Å; C188-V263 VanDerWaalsContact CA-O 3.3Å; C188-V263 WeakPolarHBondContact CA-O 3.05Å; V189-V263 PolarHBondContact N-O 2.97Å; V189-V263 VanDerWaalsContact N-O 3.17Å; M261-V263 HydrophobicContact CG-CG2 4.15Å; M261-V263 HydrophobicContact SD-CG2 3.77Å; V263-I282 CarbonylContact C-O 3.11Å; V263-I282 WeakPolarHBondContact CA-O 3.27Å; V263-I282 HydrophobicContact CG2-CB 4.2Å; V263-I282 HydrophobicContact CG2-CD1 4.36Å; V263-V284 HydrophobicContact CG1-CG2 4.29Å; V263-M299 HydrophobicContact CG1-SD 3.94Å; V263-M299 HydrophobicContact CG2-CE 3.85Å; V263-M299 HydrophobicContact CG2-SD 3.94Å
264R98.8Very high97.4Very high0 Ų039.1 Ų39.10%022%0.22CC..EExtended strand (participates in β ladder)trans-138.9174.6-173.772.8145.2-50.9178.431113.9V189 H190 G191 A224 D225 L262 H266 E267 L281 I282 T283 V284V189-R264 VanDerWaalsContact O-CA 3.27Å; V189-R264 WeakPolarHBondContact O-CA 3.33Å; H190-R264 PolarHBondContact O-NE 3.04Å; H190-R264 PolarHBondContact O-NH2 2.95Å; G191-R264 VanDerWaalsContact O-CB 3.29Å; G191-R264 WeakPolarHBondContact O-CB 3.33Å; G191-R264 WeakPolarHBondContact O-CD 3.26Å; G191-R264 PolarHBondContact O-NE 3.26Å; G191-R264 PolarHBondContact O-NH2 3.01Å; A224-R264 PolarHBondContact O-NH2 2.63Å; D225-R264 IonicContact OD1-CZ 3.81Å; D225-R264 IonicContact OD1-NH1 2.65Å; D225-R264 PolarHBondContact OD1-NH1 3.29Å; D225-R264 IonicContact OD1-NH2 3.95Å; L262-R264 HydrophobicContact CG-CB 4.49Å; R264-H266 PolarHBondContact NH2-CD2 3.44Å; R264-H266 VanDerWaalsContact NH2-CD2 3.34Å; R264-E267 IonicContact CZ-OE2 2.86Å; R264-E267 VanDerWaalsContact NH1-CD 3.27Å; R264-E267 IonicContact NH1-OE2 2.87Å; R264-E267 PolarHBondContact NH1-OE2 2.91Å; R264-L281 HydrophobicContact CG-CD1 3.92Å; R264-I282 PolarHBondContact N-O 3.44Å; R264-T283 HydrophobicContact CG-CG2 4.46Å; R264-T283 CarbonylContact O-C 3.16Å; R264-T283 WeakPolarHBondContact O-CA 3.4Å; R264-V284 PolarHBondContact O-N 3.48Å
265A98.8Very high97.3Very high0 Ų041.2 Ų41.20%023%0.232CC..  trans-127.6-135178.100000111.8D80 L106 H190 E267 V284D80-A265 WeakPolarHBondContact OD1-CB 3.45Å; L106-A265 HydrophobicContact CB-CB 3.76Å; L106-A265 HydrophobicContact CD1-CB 3.94Å; H190-A265 CarbonylContact O-C 3.19Å; H190-A265 PolarHBondContact O-N 2.89Å; A265-E267 PolarHBondContact O-N 3.16Å; A265-V284 VanDerWaalsContact CA-O 3.3Å; A265-V284 WeakPolarHBondContact CA-O 3.44Å; A265-V284 WeakPolarHBondContact CB-O 3.4Å
266H98.3Very high97.2Very high10 Ų1035 Ų355%0.04621%0.205CC..SBendtrans66-29.8167.1-170.562.6000117.9D80 D108 N140 H190 D225 R264D80-H266 PolarHBondContact OD1-N 2.91Å; D80-H266 WeakPolarHBondContact OD2-CA 3.24Å; D80-H266 PolarHBondContact OD2-N 3.37Å; D108-H266 IonicContact OD2-ND1 3.57Å; N140-H266 PolarHBondContact OD1-CE1 3.18Å; N140-H266 VanDerWaalsContact OD1-CE1 3.24Å; N140-H266 PolarHBondContact OD1-ND1 3.06Å; H190-H266 AromaticContact CD2-ND1 3.84Å; H190-H266 AromaticContact NE2-CG 3.74Å; H190-H266 AromaticContact NE2-ND1 3.31Å; H190-H266 PolarHBondContact NE2-ND1 3.46Å; D225-H266 IonicContact OD1-CD2 3.24Å; D225-H266 PolarHBondContact OD1-CD2 2.96Å; D225-H266 VanDerWaalsContact OD1-CD2 3.24Å; D225-H266 IonicContact OD1-NE2 3.56Å; R264-H266 PolarHBondContact NH2-CD2 3.44Å; R264-H266 VanDerWaalsContact NH2-CD2 3.34Å
267E97.8Very high97.2Very high48 Ų4831.8 Ų31.822%0.22418%0.18CC..SBendtrans-101.6129.1175.1-76.5178.7126.100110.4D225 P226 R264 A265 V269 T283 F285D225-E267 WeakPolarHBondContact OD1-CG 3.44Å; P226-E267 WeakPolarHBondContact CD-OE2 3.43Å; P226-E267 WeakPolarHBondContact CG-OE2 3.35Å; R264-E267 IonicContact CZ-OE2 2.86Å; R264-E267 VanDerWaalsContact NH1-CD 3.27Å; R264-E267 IonicContact NH1-OE2 2.87Å; R264-E267 PolarHBondContact NH1-OE2 2.91Å; A265-E267 PolarHBondContact O-N 3.16Å; E267-V269 PolarHBondContact O-N 3.31Å; E267-T283 HydrophobicContact CB-CG2 4.16Å; E267-F285 WeakPolarHBondContact O-CD2 3.4Å
268V96.7Very high97.1Very high45 Ų4536.9 Ų36.927%0.27321%0.208SC..  trans-72.6121.1174.3-174.50000108F285 Y290 T291 N294V268-F285 HydrophobicContact CB-CE1 4.5Å; V268-F285 HydrophobicContact CB-CE2 4.45Å; V268-F285 HydrophobicContact CB-CZ 4.44Å; V268-F285 HydrophobicContact CG1-CD1 4.29Å; V268-F285 HydrophobicContact CG1-CE1 4.25Å; V268-F285 HydrophobicContact CG2-CD2 4.27Å; V268-F285 HydrophobicContact CG2-CE1 3.96Å; V268-F285 HydrophobicContact CG2-CE2 3.69Å; V268-F285 HydrophobicContact CG2-CZ 3.54Å; V268-Y290 HydrophobicContact CG2-CD1 3.34Å; V268-Y290 HydrophobicContact CG2-CE1 3.7Å; V268-Y290 HydrophobicContact CG2-CG 4.17Å; V268-T291 HydrophobicContact CB-CG2 4.35Å; V268-T291 HydrophobicContact CG1-CG2 4.17Å; V268-T291 HydrophobicContact CG2-CG2 4.16Å; V268-N294 HydrophobicContact CG1-CB 3.86Å
269V95.5Very high97Very high8 Ų834.3 Ų34.35%0.04818%0.182CC..  trans-116141176.2-71.20000110.1E267 E271 G272 E274 T283 F285E267-V269 PolarHBondContact O-N 3.31Å; V269-E271 VanDerWaalsContact C-N 3.31Å; V269-E271 PolarHBondContact O-N 2.9Å; V269-E271 VanDerWaalsContact O-N 3.15Å; V269-G272 PolarHBondContact O-N 2.87Å; V269-E274 HydrophobicContact CB-CB 4.14Å; V269-E274 HydrophobicContact CG1-CB 3.81Å; V269-E274 HydrophobicContact CG2-CB 4.47Å; V269-T283 HydrophobicContact CG1-CG2 3.92Å; V269-T283 HydrophobicContact CG2-CG2 4.35Å; V269-F285 HydrophobicContact CG2-CB 4.16Å
270P94Very high96.9Very high93 Ų9336.9 Ų36.960%0.60419%0.192SC*.THydrogen-bonded Turntrans-55.4-39.3-167.9-29.435.4000115G272 N294 K295P270-G272 VanDerWaalsContact C-N 3.34Å; P270-N294 CarbonylContact O-C 3.59Å; P270-N294 WeakPolarHBondContact O-CA 3.42Å; P270-K295 PolarHBondContact O-N 3.47Å
271E94.5Very high97Very high83 Ų8333.3 Ų33.339%0.38818%0.176SC..THydrogen-bonded Turntrans-92.15.4-178.3-67.2-64.5122.900113.2V269 F273 K295V269-E271 VanDerWaalsContact C-N 3.31Å; V269-E271 PolarHBondContact O-N 2.9Å; V269-E271 VanDerWaalsContact O-N 3.15Å; E271-F273 HydrophobicContact CB-CD1 4.38Å; E271-F273 HydrophobicContact CB-CE1 4.18Å; E271-F273 PolarHBondContact O-N 3.35Å; E271-K295 IonicContact OE1-NZ 3.88Å; E271-K295 PolarHBondContact OE1-NZ 3.33Å; E271-K295 WeakPolarHBondContact OE2-CD 3.33Å; E271-K295 IonicContact OE2-NZ 2.85Å; E271-K295 PolarHBondContact OE2-NZ 2.76Å
272G95.6Very high97Very high0 Ų033 Ų330%017%0.174CC..SBendtrans74.4-5-172.100000113.7V269 P270 F285 K295 A297V269-G272 PolarHBondContact O-N 2.87Å; P270-G272 VanDerWaalsContact C-N 3.34Å; G272-F285 WeakPolarHBondContact CA-O 3.46Å; G272-F285 PolarHBondContact O-N 3Å; G272-K295 WeakPolarHBondContact CA-O 3.36Å; G272-K295 PolarHBondContact N-O 2.79Å; G272-A297 WeakPolarHBondContact O-CB 3.27Å
273F97Very high97Very high27 Ų2733 Ų3312%0.11817%0.174CC..EExtended strand (participates in β ladder)trans-146.5157165.371.7-78.8000110.2E271 V275 T283 A297 F309 L322E271-F273 HydrophobicContact CB-CD1 4.38Å; E271-F273 HydrophobicContact CB-CE1 4.18Å; E271-F273 PolarHBondContact O-N 3.35Å; F273-V275 HydrophobicContact CD2-CG2 4.21Å; F273-V275 HydrophobicContact CE2-CG2 4.41Å; F273-T283 CarbonylContact C-O 3.54Å; F273-T283 WeakPolarHBondContact CA-O 3.4Å; F273-A297 HydrophobicContact CB-CB 4.16Å; F273-A297 HydrophobicContact CD1-CB 3.73Å; F273-A297 HydrophobicContact CG-CB 4.4Å; F273-F309 HydrophobicContact CB-CD1 3.58Å; F273-F309 HydrophobicContact CB-CE1 3.7Å; F273-F309 HydrophobicContact CB-CG 4.25Å; F273-F309 HydrophobicContact CB-CZ 4.46Å; F273-F309 HydrophobicContact CD1-CB 3.84Å; F273-F309 HydrophobicContact CD1-CD1 4.07Å; F273-F309 AromaticContact CD1-CG 3.92Å; F273-F309 HydrophobicContact CD1-CG 3.92Å; F273-F309 HydrophobicContact CD2-CB 4.34Å; F273-F309 AromaticContact CD2-CD1 3.67Å; F273-F309 HydrophobicContact CD2-CD1 3.67Å; F273-F309 AromaticContact CD2-CD2 3.58Å; F273-F309 HydrophobicContact CD2-CD2 3.58Å; F273-F309 AromaticContact CD2-CE1 3.72Å; F273-F309 HydrophobicContact CD2-CE1 3.72Å; F273-F309 AromaticContact CD2-CE2 3.64Å; F273-F309 HydrophobicContact CD2-CE2 3.64Å; F273-F309 AromaticContact CD2-CG 3.58Å; F273-F309 HydrophobicContact CD2-CG 3.58Å; F273-F309 AromaticContact CD2-CZ 3.7Å; F273-F309 HydrophobicContact CD2-CZ 3.7Å; F273-F309 HydrophobicContact CE1-CB 3.91Å; F273-F309 HydrophobicContact CE1-CG 4.2Å; F273-F309 HydrophobicContact CE2-CB 4.4Å; F273-F309 HydrophobicContact CE2-CD1 4.43Å; F273-F309 AromaticContact CE2-CD2 3.57Å; F273-F309 HydrophobicContact CE2-CD2 3.57Å; F273-F309 AromaticContact CE2-CE2 3.84Å; F273-F309 HydrophobicContact CE2-CE2 3.84Å; F273-F309 AromaticContact CE2-CG 3.88Å; F273-F309 HydrophobicContact CE2-CG 3.88Å; F273-F309 HydrophobicContact CE2-CZ 4.37Å; F273-F309 HydrophobicContact CG-CB 4.08Å; F273-F309 AromaticContact CG-CD1 3.47Å; F273-F309 HydrophobicContact CG-CD1 3.47Å; F273-F309 VanDerWaalsContact CG-CD1 3.47Å; F273-F309 HydrophobicContact CG-CD2 4.12Å; F273-F309 AromaticContact CG-CE1 3.83Å; F273-F309 HydrophobicContact CG-CE1 3.83Å; F273-F309 HydrophobicContact CG-CE2 4.44Å; F273-F309 AromaticContact CG-CG 3.61Å; F273-F309 HydrophobicContact CG-CG 3.61Å; F273-F309 HydrophobicContact CG-CZ 4.29Å; F273-F309 HydrophobicContact CZ-CB 4.2Å; F273-F309 HydrophobicContact CZ-CD2 4.1Å; F273-F309 HydrophobicContact CZ-CG 4.19Å; F273-L322 HydrophobicContact CE2-CD2 4.29Å; F273-L322 HydrophobicContact CZ-CD2 3.63Å
274E96.6Very high97Very high82 Ų8233 Ų3338%0.38317%0.174SC..EExtended strand (participates in β ladder)trans-140.3137.1170.8-171.1-178.4-114.600109.4V269 S276 I282 T283V269-E274 HydrophobicContact CB-CB 4.14Å; V269-E274 HydrophobicContact CG1-CB 3.81Å; V269-E274 HydrophobicContact CG2-CB 4.47Å; E274-S276 WeakPolarHBondContact CG-OG 3.38Å; E274-S276 PolarHBondContact OE2-OG 3.07Å; E274-I282 CarbonylContact O-C 3.51Å; E274-I282 VanDerWaalsContact O-CA 3.27Å; E274-I282 WeakPolarHBondContact O-CA 3.26Å; E274-T283 PolarHBondContact N-O 3.32Å; E274-T283 PolarHBondContact O-N 3.04Å
275V97.3Very high96.9Very high47 Ų4733 Ų3329%0.28518%0.175SC..EExtended strand (participates in β ladder)trans-113.1110174.8-179.60000107.6F273 I282 F309 L326F273-V275 HydrophobicContact CD2-CG2 4.21Å; F273-V275 HydrophobicContact CE2-CG2 4.41Å; V275-I282 HydrophobicContact CG2-CG1 4.34Å; V275-F309 HydrophobicContact CG2-CE2 3.75Å; V275-F309 HydrophobicContact CG2-CZ 3.75Å; V275-L326 HydrophobicContact CG1-CD1 4.19Å; V275-L326 HydrophobicContact CG1-CD2 3.95Å
276S96.4Very high96.9Very high15 Ų1533 Ų3311%0.10518%0.175CC..EExtended strand (participates in β ladder)trans-117.9156.6-171.8-71.70000111.3E274 D278 G279 K280 L281E274-S276 WeakPolarHBondContact CG-OG 3.38Å; E274-S276 PolarHBondContact OE2-OG 3.07Å; S276-D278 PolarHBondContact O-N 3.33Å; S276-G279 PolarHBondContact O-N 2.92Å; S276-G279 VanDerWaalsContact O-N 3.12Å; S276-K280 PolarHBondContact O-N 3.49Å; S276-L281 PolarHBondContact N-O 3.36Å; S276-L281 PolarHBondContact O-N 3.22Å
277W96.6Very high96.7Very high20 Ų2033 Ų338%0.07618%0.175CC..THydrogen-bonded Turntrans53.458.9172.6-50.6-33.3000113.4P226 F245 E247 L250 R251 G279 K280 L281P226-W277 HydrophobicContact CB-CH2 3.39Å; P226-W277 HydrophobicContact CB-CZ2 3.94Å; P226-W277 HydrophobicContact CB-CZ3 4.16Å; F245-W277 HydrophobicContact CD2-CH2 4.2Å; F245-W277 HydrophobicContact CD2-CZ3 4.19Å; F245-W277 HydrophobicContact CE2-CH2 4.09Å; F245-W277 AromaticContact CE2-CZ3 3.89Å; F245-W277 HydrophobicContact CE2-CZ3 3.89Å; E247-W277 HydrophobicContact CB-CD2 3.7Å; E247-W277 HydrophobicContact CB-CE3 4.24Å; E247-W277 HydrophobicContact CB-CG 3.82Å; E247-W277 HydrophobicContact CB-CZ2 4.17Å; E247-W277 VanDerWaalsContact CD-CD1 3.45Å; E247-W277 HydrophobicContact CG-CB 3.77Å; E247-W277 HydrophobicContact CG-CD2 3.87Å; E247-W277 HydrophobicContact CG-CE3 4.42Å; E247-W277 HydrophobicContact CG-CG 3.54Å; E247-W277 WeakPolarHBondContact OE1-CB 3.26Å; L250-W277 HydrophobicContact CB-CE3 4.24Å; L250-W277 HydrophobicContact CB-CZ3 3.85Å; L250-W277 HydrophobicContact CD2-CE3 3.64Å; L250-W277 HydrophobicContact CD2-CZ3 3.61Å; L250-W277 HydrophobicContact CG-CZ3 4.35Å; R251-W277 PolarHBondContact NH2-O 2.79Å; W277-G279 PolarHBondContact O-N 3.05Å; W277-K280 HydrophobicContact CB-CB 4.41Å; W277-K280 VanDerWaalsContact O-CB 3.27Å; W277-K280 WeakPolarHBondContact O-CB 2.93Å; W277-K280 WeakPolarHBondContact O-CG 3.16Å; W277-K280 PolarHBondContact O-N 3.15Å; W277-L281 HydrophobicContact CD2-CB 4.41Å; W277-L281 HydrophobicContact CD2-CD2 4.33Å; W277-L281 HydrophobicContact CE3-CB 3.73Å; W277-L281 HydrophobicContact CE3-CD2 3.81Å; W277-L281 HydrophobicContact CE3-CG 4.43Å; W277-L281 HydrophobicContact CH2-CD2 3.93Å; W277-L281 HydrophobicContact CZ2-CD2 4.42Å; W277-L281 HydrophobicContact CZ3-CB 4.2Å; W277-L281 HydrophobicContact CZ3-CD2 3.6Å; W277-L281 HydrophobicContact CZ3-CG 4.48Å
278D95.2Very high96.4Very high138 Ų13831.3 Ų31.374%0.73817%0.168SC*.THydrogen-bonded Turntrans52.235.8-176.6-53.6-42.7000114.1R251 S276 K280R251-D278 IonicContact CZ-OD2 2.67Å; R251-D278 IonicContact NH1-OD2 3.17Å; R251-D278 IonicContact NH2-OD2 3.73Å; R251-D278 PolarHBondContact NH2-OD2 3.2Å; S276-D278 PolarHBondContact O-N 3.33Å; D278-K280 VanDerWaalsContact C-N 3.3Å; D278-K280 PolarHBondContact O-N 3.24Å
279G95.4Very high96.2Very high6 Ų632.7 Ų32.76%0.06217%0.174CC..THydrogen-bonded Turntrans73.118.8-179.200000114.3M261 S276 W277 L281M261-G279 VanDerWaalsContact CE-O 3.29Å; M261-G279 WeakPolarHBondContact CE-O 3.48Å; S276-G279 PolarHBondContact O-N 2.92Å; S276-G279 VanDerWaalsContact O-N 3.12Å; W277-G279 PolarHBondContact O-N 3.05Å; G279-L281 VanDerWaalsContact C-N 3.32Å
280K97.6Very high95.8Very high69 Ų6935.2 Ų35.230%0.318%0.183SC..THydrogen-bonded Turntrans-75.8-24.6169.1-62.4-56.2176.8-142.30112.5L250 R251 L254 Q260 M261 L262 S276 W277 D278L250-K280 HydrophobicContact CD2-CB 4.4Å; R251-K280 HydrophobicContact CG-CG 4.29Å; L254-K280 HydrophobicContact CD1-CB 3.96Å; L254-K280 HydrophobicContact CD1-CD 4.1Å; L254-K280 HydrophobicContact CD1-CG 4.45Å; Q260-K280 WeakPolarHBondContact O-CD 3.27Å; M261-K280 WeakPolarHBondContact CA-O 3.34Å; L262-K280 PolarHBondContact N-O 2.95Å; S276-K280 PolarHBondContact O-N 3.49Å; W277-K280 HydrophobicContact CB-CB 4.41Å; W277-K280 VanDerWaalsContact O-CB 3.27Å; W277-K280 WeakPolarHBondContact O-CB 2.93Å; W277-K280 WeakPolarHBondContact O-CG 3.16Å; W277-K280 PolarHBondContact O-N 3.15Å; D278-K280 VanDerWaalsContact C-N 3.3Å; D278-K280 PolarHBondContact O-N 3.24Å
281L98.5Very high95.2Very high1 Ų135.1 Ų35.11%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124.4132.1176.7177.163.6000109.8P226 L250 L262 R264 S276 W277 G279P226-L281 HydrophobicContact CB-CD2 3.52Å; P226-L281 HydrophobicContact CG-CD2 3.81Å; L250-L281 HydrophobicContact CD2-CB 3.85Å; L250-L281 HydrophobicContact CD2-CD1 4.38Å; L262-L281 HydrophobicContact CB-CD1 4.3Å; L262-L281 HydrophobicContact CD2-CD1 3.77Å; L262-L281 HydrophobicContact CG-CD1 3.91Å; L262-L281 WeakPolarHBondContact O-CA 3.29Å; R264-L281 HydrophobicContact CG-CD1 3.92Å; S276-L281 PolarHBondContact N-O 3.36Å; S276-L281 PolarHBondContact O-N 3.22Å; W277-L281 HydrophobicContact CD2-CB 4.41Å; W277-L281 HydrophobicContact CD2-CD2 4.33Å; W277-L281 HydrophobicContact CE3-CB 3.73Å; W277-L281 HydrophobicContact CE3-CD2 3.81Å; W277-L281 HydrophobicContact CE3-CG 4.43Å; W277-L281 HydrophobicContact CH2-CD2 3.93Å; W277-L281 HydrophobicContact CZ2-CD2 4.42Å; W277-L281 HydrophobicContact CZ3-CB 4.2Å; W277-L281 HydrophobicContact CZ3-CD2 3.6Å; W277-L281 HydrophobicContact CZ3-CG 4.48Å; G279-L281 VanDerWaalsContact C-N 3.32Å
282I98.5Very high94.5Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-126.1125.6166.1-57.6178000108.6M261 L262 V263 R264 E274 V275 V284 M299 V307 F309 L326M261-I282 HydrophobicContact CE-CD1 3.85Å; M261-I282 HydrophobicContact CG-CD1 4.41Å; M261-I282 HydrophobicContact CG-CG1 4.41Å; M261-I282 HydrophobicContact SD-CD1 3.33Å; M261-I282 WeakPolarHBondContact SD-CD1 3.47Å; M261-I282 HydrophobicContact SD-CG1 3.94Å; L262-I282 PolarHBondContact O-N 3.47Å; V263-I282 CarbonylContact C-O 3.11Å; V263-I282 WeakPolarHBondContact CA-O 3.27Å; V263-I282 HydrophobicContact CG2-CB 4.2Å; V263-I282 HydrophobicContact CG2-CD1 4.36Å; R264-I282 PolarHBondContact N-O 3.44Å; E274-I282 CarbonylContact O-C 3.51Å; E274-I282 VanDerWaalsContact O-CA 3.27Å; E274-I282 WeakPolarHBondContact O-CA 3.26Å; V275-I282 HydrophobicContact CG2-CG1 4.34Å; I282-V284 HydrophobicContact CG2-CG2 3.96Å; I282-M299 HydrophobicContact CD1-CE 3.8Å; I282-M299 HydrophobicContact CD1-SD 3.87Å; I282-M299 HydrophobicContact CG2-SD 3.98Å; I282-V307 HydrophobicContact CD1-CG1 4.2Å; I282-F309 HydrophobicContact CD1-CZ 4.15Å; I282-F309 HydrophobicContact CG2-CE1 3.74Å; I282-F309 HydrophobicContact CG2-CZ 3.71Å; I282-L326 HydrophobicContact CD1-CD1 3.42Å; I282-L326 VanDerWaalsContact CD1-CD1 3.42Å; I282-L326 HydrophobicContact CG1-CD1 4.21Å
283T98.6Very high94.1Very high1 Ų139.2 Ų39.21%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-101.4134.6168.9-58.50000108.6R264 E267 V269 F273 E274R264-T283 HydrophobicContact CG-CG2 4.46Å; R264-T283 CarbonylContact O-C 3.16Å; R264-T283 WeakPolarHBondContact O-CA 3.4Å; E267-T283 HydrophobicContact CB-CG2 4.16Å; V269-T283 HydrophobicContact CG1-CG2 3.92Å; V269-T283 HydrophobicContact CG2-CG2 4.35Å; F273-T283 CarbonylContact C-O 3.54Å; F273-T283 WeakPolarHBondContact CA-O 3.4Å; E274-T283 PolarHBondContact N-O 3.32Å; E274-T283 PolarHBondContact O-N 3.04Å
284V98.5Very high93.9Very high0 Ų038.2 Ų38.20%022%0.224CC..EExtended strand (participates in β ladder)trans-125.5127177.6-1750000108.7G79 V263 R264 A265 I282 M299 F309G79-V284 WeakPolarHBondContact CA-O 3.3Å; V263-V284 HydrophobicContact CG1-CG2 4.29Å; R264-V284 PolarHBondContact O-N 3.48Å; A265-V284 VanDerWaalsContact CA-O 3.3Å; A265-V284 WeakPolarHBondContact CA-O 3.44Å; A265-V284 WeakPolarHBondContact CB-O 3.4Å; I282-V284 HydrophobicContact CG2-CG2 3.96Å; V284-M299 HydrophobicContact CG2-CB 3.91Å; V284-M299 HydrophobicContact CG2-SD 4.42Å; V284-F309 HydrophobicContact CG2-CE1 4.47Å
285F97.9Very high93.8Very high1 Ų137.8 Ų37.80%0.00422%0.221CC..  trans-128.7119.6177.1-161.5-93.9000109.1D80 E267 V268 V269 G272 C287 Y290 A296 A297D80-F285 HydrophobicContact CB-CD2 3.77Å; D80-F285 HydrophobicContact CB-CE2 3.4Å; D80-F285 VanDerWaalsContact CB-CE2 3.4Å; D80-F285 HydrophobicContact CB-CZ 3.84Å; D80-F285 WeakPolarHBondContact OD1-CD2 3.41Å; D80-F285 WeakPolarHBondContact OD2-CE2 3.29Å; E267-F285 WeakPolarHBondContact O-CD2 3.4Å; V268-F285 HydrophobicContact CB-CE1 4.5Å; V268-F285 HydrophobicContact CB-CE2 4.45Å; V268-F285 HydrophobicContact CB-CZ 4.44Å; V268-F285 HydrophobicContact CG1-CD1 4.29Å; V268-F285 HydrophobicContact CG1-CE1 4.25Å; V268-F285 HydrophobicContact CG2-CD2 4.27Å; V268-F285 HydrophobicContact CG2-CE1 3.96Å; V268-F285 HydrophobicContact CG2-CE2 3.69Å; V268-F285 HydrophobicContact CG2-CZ 3.54Å; V269-F285 HydrophobicContact CG2-CB 4.16Å; G272-F285 WeakPolarHBondContact CA-O 3.46Å; G272-F285 PolarHBondContact O-N 3Å; F285-C287 HydrophobicContact CD1-CB 4.31Å; F285-C287 VanDerWaalsContact CD1-O 3.28Å; F285-C287 WeakPolarHBondContact CD1-O 3.4Å; F285-C287 HydrophobicContact CE1-CB 3.69Å; F285-C287 WeakPolarHBondContact CE1-O 3.32Å; F285-C287 HydrophobicContact CZ-CB 4.31Å; F285-Y290 HydrophobicContact CE1-CD1 4.48Å; F285-Y290 HydrophobicContact CE1-CD2 4.34Å; F285-Y290 AromaticContact CE1-CG 3.97Å; F285-Y290 HydrophobicContact CE1-CG 3.97Å; F285-Y290 HydrophobicContact CZ-CD1 4.08Å; F285-Y290 HydrophobicContact CZ-CD2 4.03Å; F285-Y290 HydrophobicContact CZ-CE1 4.38Å; F285-Y290 HydrophobicContact CZ-CE2 4.34Å; F285-Y290 AromaticContact CZ-CG 3.83Å; F285-Y290 HydrophobicContact CZ-CG 3.83Å; F285-A296 WeakPolarHBondContact O-CA 3.29Å; F285-A297 PolarHBondContact O-N 3.32Å
286S97.8Very high93.6Very high0 Ų035.8 Ų35.80%021%0.209CC..  trans-103.97.2-168.1-64.40000113.9G79 D80 T87 A296 A297G79-S286 PolarHBondContact N-OG 3.47Å; D80-S286 CarbonylContact O-C 3.59Å; D80-S286 WeakPolarHBondContact O-CA 3.45Å; D80-S286 WeakPolarHBondContact O-CB 3.39Å; D80-S286 PolarHBondContact O-N 2.9Å; T87-S286 WeakPolarHBondContact CG2-O 3.27Å; S286-A296 VanDerWaalsContact C-CB 3.49Å; S286-A296 VanDerWaalsContact O-CB 3.26Å; S286-A296 WeakPolarHBondContact O-CB 3.29Å; S286-A297 PolarHBondContact OG-O 2.95Å
287C94.5Very high93.6Very high9 Ų935.2 Ų35.26%0.06121%0.205CC..  trans-110118.6176.7-177.60000111.8D80 F285 N294D80-C287 PolarHBondContact O-N 3.49Å; D80-C287 VanDerWaalsContact O-N 3.07Å; F285-C287 HydrophobicContact CD1-CB 4.31Å; F285-C287 VanDerWaalsContact CD1-O 3.28Å; F285-C287 WeakPolarHBondContact CD1-O 3.4Å; F285-C287 HydrophobicContact CE1-CB 3.69Å; F285-C287 WeakPolarHBondContact CE1-O 3.32Å; F285-C287 HydrophobicContact CZ-CB 4.31Å; C287-N294 PolarHBondContact O-ND2 2.94Å
288P93Very high93.7Very high12 Ų1234.5 Ų34.58%0.07820%0.203CC..THydrogen-bonded Turntrans-80159.2-18035-35.8000111.6T87 Y290 N294 A296T87-P288 VanDerWaalsContact OG1-CD 3.25Å; T87-P288 WeakPolarHBondContact OG1-CD 3.15Å; T87-P288 WeakPolarHBondContact OG1-CG 3.42Å; P288-Y290 PolarHBondContact O-N 3.19Å; P288-N294 CarbonylContact C-O 3.53Å; P288-N294 WeakPolarHBondContact CA-O 3.48Å; P288-A296 HydrophobicContact CB-CB 4.03Å; P288-A296 HydrophobicContact CG-CB 4.29Å
289N90.8Very high93.8Very high75 Ų7527.9 Ų27.940%0.40117%0.168SC..THydrogen-bonded Turntrans52.222.3176.6-63.3-46000115.9T291 S292 G293 N294 S314N289-T291 VanDerWaalsContact C-N 3.35Å; N289-T291 PolarHBondContact O-N 3.29Å; N289-S292 PolarHBondContact O-N 3.4Å; N289-S292 VanDerWaalsContact O-N 3.17Å; N289-G293 PolarHBondContact OD1-N 2.6Å; N289-N294 WeakPolarHBondContact CA-OD1 3.48Å; N289-N294 PolarHBondContact N-O 2.67Å; N289-N294 PolarHBondContact N-OD1 3.08Å; N289-S314 VanDerWaalsContact ND2-CB 3.33Å; N289-S314 WeakPolarHBondContact ND2-CB 3.45Å; N289-S314 PolarHBondContact ND2-OG 2.94Å
290Y87.7Confident93.9Very high61 Ų6129.2 Ų29.224%0.23917%0.173CC..THydrogen-bonded Turntrans-59.9-41.9178.4-172.3-92.6000112.8H82 R112 V268 F285 P288 N294H82-Y290 HydrophobicContact CB-CE2 4.06Å; H82-Y290 AromaticContact CD2-CE2 3.19Å; H82-Y290 WeakPolarHBondContact CD2-CE2 3.31Å; H82-Y290 AromaticContact CD2-CZ 3.63Å; H82-Y290 PolarHBondContact CD2-OH 3.25Å; H82-Y290 AromaticContact CG-CE2 3.79Å; H82-Y290 AromaticContact NE2-CE2 3.76Å; H82-Y290 AromaticContact NE2-CZ 3.7Å; H82-Y290 PolarHBondContact NE2-OH 2.84Å; R112-Y290 HydrophobicContact CB-CE2 4.26Å; R112-Y290 HydrophobicContact CG-CE2 4Å; R112-Y290 PolarHBondContact NH1-OH 2.72Å; R112-Y290 PolarHBondContact NH2-OH 2.98Å; R112-Y290 VanDerWaalsContact NH2-OH 3.14Å; V268-Y290 HydrophobicContact CG2-CD1 3.34Å; V268-Y290 HydrophobicContact CG2-CE1 3.7Å; V268-Y290 HydrophobicContact CG2-CG 4.17Å; F285-Y290 HydrophobicContact CE1-CD1 4.48Å; F285-Y290 HydrophobicContact CE1-CD2 4.34Å; F285-Y290 AromaticContact CE1-CG 3.97Å; F285-Y290 HydrophobicContact CE1-CG 3.97Å; F285-Y290 HydrophobicContact CZ-CD1 4.08Å; F285-Y290 HydrophobicContact CZ-CD2 4.03Å; F285-Y290 HydrophobicContact CZ-CE1 4.38Å; F285-Y290 HydrophobicContact CZ-CE2 4.34Å; F285-Y290 AromaticContact CZ-CG 3.83Å; F285-Y290 HydrophobicContact CZ-CG 3.83Å; P288-Y290 PolarHBondContact O-N 3.19Å; Y290-N294 PolarHBondContact N-OD1 3.08Å
291T82.3Confident93.9Very high91 Ų9126 Ų2656%0.55816%0.16SC*.THydrogen-bonded Turntrans-106.622.8172.558.80000112.9V268 N289 N294V268-T291 HydrophobicContact CB-CG2 4.35Å; V268-T291 HydrophobicContact CG1-CG2 4.17Å; V268-T291 HydrophobicContact CG2-CG2 4.16Å; N289-T291 VanDerWaalsContact C-N 3.35Å; N289-T291 PolarHBondContact O-N 3.29Å; T291-N294 PolarHBondContact N-OD1 3.39Å
292S79.3Confident93.8Very high111 Ų11127.7 Ų27.778%0.77617%0.171SC*.SBendtrans62.4100.5-167.6-51.30000113.2N289N289-S292 PolarHBondContact O-N 3.4Å; N289-S292 VanDerWaalsContact O-N 3.17Å
293G86.8Confident93.7Very high57 Ų5735 Ų3559%0.58820%0.203SC*.SBendtrans109-16.2170.500000116.3N289N289-G293 PolarHBondContact OD1-N 2.6Å
294N93.5Very high93.6Very high6 Ų642.1 Ų42.13%0.03224%0.236CC..  trans-67144.4173.774.4-76.9000111V268 P270 C287 P288 N289 Y290 T291V268-N294 HydrophobicContact CG1-CB 3.86Å; P270-N294 CarbonylContact O-C 3.59Å; P270-N294 WeakPolarHBondContact O-CA 3.42Å; C287-N294 PolarHBondContact O-ND2 2.94Å; P288-N294 CarbonylContact C-O 3.53Å; P288-N294 WeakPolarHBondContact CA-O 3.48Å; N289-N294 WeakPolarHBondContact CA-OD1 3.48Å; N289-N294 PolarHBondContact N-O 2.67Å; N289-N294 PolarHBondContact N-OD1 3.08Å; Y290-N294 PolarHBondContact N-OD1 3.08Å; T291-N294 PolarHBondContact N-OD1 3.39Å
295K93.5Very high93.4Very high73 Ų7342.9 Ų42.932%0.31724%0.24SC..  trans-81.6172.8169.4-60.9174.3-171.2154.80109.9P270 E271 G272P270-K295 PolarHBondContact O-N 3.47Å; E271-K295 IonicContact OE1-NZ 3.88Å; E271-K295 PolarHBondContact OE1-NZ 3.33Å; E271-K295 WeakPolarHBondContact OE2-CD 3.33Å; E271-K295 IonicContact OE2-NZ 2.85Å; E271-K295 PolarHBondContact OE2-NZ 2.76Å; G272-K295 WeakPolarHBondContact CA-O 3.36Å; G272-K295 PolarHBondContact N-O 2.79Å
296A93.8Very high93.3Very high5 Ų546 Ų464%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-110.1148.1166.800000109.7F285 S286 P288 A311 G312F285-A296 WeakPolarHBondContact O-CA 3.29Å; S286-A296 VanDerWaalsContact C-CB 3.49Å; S286-A296 VanDerWaalsContact O-CB 3.26Å; S286-A296 WeakPolarHBondContact O-CB 3.29Å; P288-A296 HydrophobicContact CB-CB 4.03Å; P288-A296 HydrophobicContact CG-CB 4.29Å; A296-A311 CarbonylContact O-C 3.58Å; A296-A311 WeakPolarHBondContact O-CA 3.35Å; A296-G312 PolarHBondContact N-O 2.96Å; A296-G312 PolarHBondContact O-N 3.11Å; A296-G312 VanDerWaalsContact O-O 3.14Å
297A96Very high93.2Very high3 Ų346 Ų463%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-140.2163.9169.300000112.4G272 F273 F285 S286 T310 A311G272-A297 WeakPolarHBondContact O-CB 3.27Å; F273-A297 HydrophobicContact CB-CB 4.16Å; F273-A297 HydrophobicContact CD1-CB 3.73Å; F273-A297 HydrophobicContact CG-CB 4.4Å; F285-A297 PolarHBondContact O-N 3.32Å; S286-A297 PolarHBondContact OG-O 2.95Å; A297-T310 VanDerWaalsContact CA-O 3.26Å; A297-T310 WeakPolarHBondContact CA-O 3.44Å; A297-A311 HydrophobicContact CB-CB 4.33Å
298V97.7Very high93.2Very high5 Ų547.1 Ų47.13%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-127148.5166.4-61.50000109.3I76 I91 Q95 F309 T310I76-V298 HydrophobicContact CG2-CB 4.03Å; I76-V298 HydrophobicContact CG2-CG2 4.11Å; I91-V298 HydrophobicContact CD1-CG1 3.99Å; I91-V298 HydrophobicContact CG1-CG1 4.01Å; I91-V298 HydrophobicContact CG2-CG1 3.99Å; Q95-V298 HydrophobicContact CG-CG2 3.92Å; V298-F309 WeakPolarHBondContact O-CA 3.5Å; V298-T310 PolarHBondContact N-O 2.95Å; V298-T310 VanDerWaalsContact N-O 3.1Å; V298-T310 PolarHBondContact O-N 3.46Å
299M97.9Very high93.4Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-102.1120.3180171.4175.2167.600110.4I76 V77 M261 V263 I282 V284 I301 V307 F309I76-M299 CarbonylContact C-O 3.48Å; I76-M299 WeakPolarHBondContact CA-O 3.25Å; V77-M299 HydrophobicContact CB-CB 4.2Å; V77-M299 PolarHBondContact N-O 3Å; V77-M299 PolarHBondContact O-N 3.13Å; M261-M299 HydrophobicContact SD-CE 4.4Å; V263-M299 HydrophobicContact CG1-SD 3.94Å; V263-M299 HydrophobicContact CG2-CE 3.85Å; V263-M299 HydrophobicContact CG2-SD 3.94Å; I282-M299 HydrophobicContact CD1-CE 3.8Å; I282-M299 HydrophobicContact CD1-SD 3.87Å; I282-M299 HydrophobicContact CG2-SD 3.98Å; V284-M299 HydrophobicContact CG2-CB 3.91Å; V284-M299 HydrophobicContact CG2-SD 4.42Å; M299-I301 HydrophobicContact CE-CD1 3.68Å; M299-I301 HydrophobicContact CE-CG1 3.64Å; M299-I301 HydrophobicContact CG-CG1 4.36Å; M299-V307 HydrophobicContact CE-CB 4.12Å; M299-V307 HydrophobicContact CE-CG1 3.46Å; M299-V307 VanDerWaalsContact CE-CG1 3.46Å; M299-V307 HydrophobicContact CE-CG2 3.51Å; M299-V307 HydrophobicContact CG-CG1 3.9Å; M299-V307 HydrophobicContact SD-CG1 4.02Å; M299-F309 HydrophobicContact CB-CD1 3.93Å; M299-F309 HydrophobicContact CB-CE1 3.79Å; M299-F309 HydrophobicContact CG-CD1 4.39Å; M299-F309 HydrophobicContact CG-CE1 3.94Å; M299-F309 HydrophobicContact SD-CE1 4.15Å; M299-F309 HydrophobicContact SD-CZ 4.47Å
300N97.7Very high93.4Very high33 Ų3344.3 Ų44.318%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-97.2128.4174.8-75.2-84000110I76 Q95 V307 T308I76-N300 WeakPolarHBondContact CD1-OD1 3.46Å; I76-N300 WeakPolarHBondContact CG1-OD1 3.46Å; Q95-N300 PolarHBondContact OE1-ND2 2.71Å; Q95-N300 PolarHBondContact OE1-OD1 2.74Å; N300-V307 CarbonylContact O-C 3.6Å; N300-V307 WeakPolarHBondContact O-CA 3.49Å; N300-T308 WeakPolarHBondContact CB-OG1 3.47Å; N300-T308 PolarHBondContact N-O 2.9Å; N300-T308 PolarHBondContact O-N 3.37Å
301I97.6Very high93.2Very high3 Ų341.8 Ų41.82%0.01524%0.237CC..EExtended strand (participates in β ladder)trans-112.7115.6172.6-52.2176.7000108.1P73 P74 I75 V77 I182 I186 M299 M305 K306P73-I301 HydrophobicContact CB-CG2 4.13Å; P74-I301 WeakPolarHBondContact CA-O 3.35Å; I75-I301 HydrophobicContact CG2-CB 4.19Å; I75-I301 HydrophobicContact CG2-CD1 4.22Å; I75-I301 PolarHBondContact N-O 2.94Å; I75-I301 VanDerWaalsContact N-O 3.1Å; I75-I301 PolarHBondContact O-N 3.33Å; V77-I301 HydrophobicContact CG2-CD1 4.14Å; I182-I301 HydrophobicContact CD1-CD1 3.55Å; I182-I301 HydrophobicContact CG2-CD1 4.43Å; I186-I301 HydrophobicContact CD1-CD1 3.89Å; M299-I301 HydrophobicContact CE-CD1 3.68Å; M299-I301 HydrophobicContact CE-CG1 3.64Å; M299-I301 HydrophobicContact CG-CG1 4.36Å; I301-M305 HydrophobicContact CG2-SD 4.07Å; I301-K306 WeakPolarHBondContact CA-O 3.26Å
302S97Very high92.8Very high35 Ų3537.9 Ų37.925%0.24522%0.215CC..  trans-76.5166.6179.889.10000112.3P73 Q304 M305 K306P73-S302 WeakPolarHBondContact CB-O 3.44Å; S302-Q304 PolarHBondContact O-N 2.88Å; S302-Q304 VanDerWaalsContact O-N 3.08Å; S302-Q304 PolarHBondContact OG-N 3.34Å; S302-Q304 VanDerWaalsContact OG-N 3.15Å; S302-Q304 PolarHBondContact OG-OE1 3.38Å; S302-M305 WeakPolarHBondContact O-CA 3.49Å; S302-M305 PolarHBondContact O-N 3.19Å; S302-K306 PolarHBondContact N-O 3.15Å; S302-K306 WeakPolarHBondContact OG-CB 3.22Å; S302-K306 PolarHBondContact OG-N 3.18Å
303K96.3Very high92Very high153 Ų15333.8 Ų33.867%0.66519%0.186SC*.THydrogen-bonded Turntrans-53.4-28.2172.2-73.2-176.2178.7-177.30113.5P74 M305P74-K303 HydrophobicContact CB-CG 4.36Å; P74-K303 HydrophobicContact CG-CG 4.14Å; K303-M305 PolarHBondContact O-N 3.03Å
304Q95.6Very high90.7Very high152 Ų15235.2 Ų35.271%0.7119%0.187SC*.THydrogen-bonded Turntrans-8914.3177.3-60.975.222.700112.4S302 K306S302-Q304 PolarHBondContact O-N 2.88Å; S302-Q304 VanDerWaalsContact O-N 3.08Å; S302-Q304 PolarHBondContact OG-N 3.34Å; S302-Q304 VanDerWaalsContact OG-N 3.15Å; S302-Q304 PolarHBondContact OG-OE1 3.38Å; Q304-K306 PolarHBondContact O-N 2.91Å
305M95.3Very high88.8Confident15 Ų1539.8 Ų39.87%0.07422%0.22CC..  trans6117.4-173.6-62.8-67.9-72.800114P73 E183 K185 I186 I301 S302 K303 V307 F327P73-M305 HydrophobicContact CB-SD 4.48Å; P73-M305 HydrophobicContact CG-SD 3.8Å; E183-M305 HydrophobicContact CB-CE 3.85Å; E183-M305 HydrophobicContact CB-SD 3.79Å; E183-M305 HydrophobicContact CG-CE 4.45Å; E183-M305 HydrophobicContact CG-SD 3.72Å; K185-M305 HydrophobicContact CB-CE 4.47Å; K185-M305 HydrophobicContact CD-CE 4.45Å; I186-M305 HydrophobicContact CD1-CE 3.54Å; I186-M305 HydrophobicContact CG1-CE 3.98Å; I301-M305 HydrophobicContact CG2-SD 4.07Å; S302-M305 WeakPolarHBondContact O-CA 3.49Å; S302-M305 PolarHBondContact O-N 3.19Å; K303-M305 PolarHBondContact O-N 3.03Å; M305-V307 PolarHBondContact O-N 2.99Å; M305-F327 HydrophobicContact CB-CD1 4.22Å; M305-F327 HydrophobicContact CB-CD2 4.2Å; M305-F327 HydrophobicContact CB-CE1 4.17Å; M305-F327 HydrophobicContact CB-CE2 4.17Å; M305-F327 HydrophobicContact CB-CG 4.21Å; M305-F327 HydrophobicContact CB-CZ 4.16Å; M305-F327 HydrophobicContact CE-CE1 4.28Å; M305-F327 HydrophobicContact CE-CZ 3.85Å; M305-F327 WeakPolarHBondContact O-CD2 3.28Å; M305-F327 WeakPolarHBondContact O-CE2 3.37Å
306K94.7Very high86.5Confident68 Ų6839.1 Ų39.130%0.29622%0.223SC..  trans-72.4128.3175.7-177.1-178.4169.4-175.50109.3I301 S302 Q304 T308 T323 F325I301-K306 WeakPolarHBondContact CA-O 3.26Å; S302-K306 PolarHBondContact N-O 3.15Å; S302-K306 WeakPolarHBondContact OG-CB 3.22Å; S302-K306 PolarHBondContact OG-N 3.18Å; Q304-K306 PolarHBondContact O-N 2.91Å; K306-T308 HydrophobicContact CD-CG2 4.44Å; K306-T308 HydrophobicContact CG-CG2 4.37Å; K306-T323 VanDerWaalsContact NZ-CG2 3.33Å; K306-F325 HydrophobicContact CD-CD1 4.06Å; K306-F325 HydrophobicContact CD-CE1 3.72Å; K306-F325 HydrophobicContact CG-CD1 4.25Å; K306-F325 HydrophobicContact CG-CE1 4.42Å
307V95.6Very high84.2Confident0 Ų043.8 Ų43.80%025%0.253CS..EExtended strand (participates in β ladder)trans-91.2134.6175.7178.20000109.8I282 M299 N300 M305 F309 L326 F327I282-V307 HydrophobicContact CD1-CG1 4.2Å; M299-V307 HydrophobicContact CE-CB 4.12Å; M299-V307 HydrophobicContact CE-CG1 3.46Å; M299-V307 VanDerWaalsContact CE-CG1 3.46Å; M299-V307 HydrophobicContact CE-CG2 3.51Å; M299-V307 HydrophobicContact CG-CG1 3.9Å; M299-V307 HydrophobicContact SD-CG1 4.02Å; N300-V307 CarbonylContact O-C 3.6Å; N300-V307 WeakPolarHBondContact O-CA 3.49Å; M305-V307 PolarHBondContact O-N 2.99Å; V307-F309 HydrophobicContact CG1-CE2 3.93Å; V307-F309 HydrophobicContact CG1-CZ 3.86Å; V307-L326 HydrophobicContact CB-CD1 4.2Å; V307-L326 HydrophobicContact CG1-CD1 4.2Å; V307-L326 HydrophobicContact CG2-CD1 4.39Å; V307-F327 HydrophobicContact CG2-CD2 4.39Å; V307-F327 HydrophobicContact CG2-CE2 3.98Å
308T95.9Very high81.9Confident32 Ų3254.4 Ų54.420%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-144.7152.6172.156.40000109.5N300 K306 T323N300-T308 WeakPolarHBondContact CB-OG1 3.47Å; N300-T308 PolarHBondContact N-O 2.9Å; N300-T308 PolarHBondContact O-N 3.37Å; K306-T308 HydrophobicContact CD-CG2 4.44Å; K306-T308 HydrophobicContact CG-CG2 4.37Å; T308-T323 HydrophobicContact CG2-CG2 4.03Å
309F95.4Very high79.7Confident0 Ų055.5 Ų55.50%031%0.306CS..EExtended strand (participates in β ladder)trans-114.3141.3179.6-58-87.1000110.4F273 V275 I282 V284 V298 M299 V307 A321 L322 V324F273-F309 HydrophobicContact CB-CD1 3.58Å; F273-F309 HydrophobicContact CB-CE1 3.7Å; F273-F309 HydrophobicContact CB-CG 4.25Å; F273-F309 HydrophobicContact CB-CZ 4.46Å; F273-F309 HydrophobicContact CD1-CB 3.84Å; F273-F309 HydrophobicContact CD1-CD1 4.07Å; F273-F309 AromaticContact CD1-CG 3.92Å; F273-F309 HydrophobicContact CD1-CG 3.92Å; F273-F309 HydrophobicContact CD2-CB 4.34Å; F273-F309 AromaticContact CD2-CD1 3.67Å; F273-F309 HydrophobicContact CD2-CD1 3.67Å; F273-F309 AromaticContact CD2-CD2 3.58Å; F273-F309 HydrophobicContact CD2-CD2 3.58Å; F273-F309 AromaticContact CD2-CE1 3.72Å; F273-F309 HydrophobicContact CD2-CE1 3.72Å; F273-F309 AromaticContact CD2-CE2 3.64Å; F273-F309 HydrophobicContact CD2-CE2 3.64Å; F273-F309 AromaticContact CD2-CG 3.58Å; F273-F309 HydrophobicContact CD2-CG 3.58Å; F273-F309 AromaticContact CD2-CZ 3.7Å; F273-F309 HydrophobicContact CD2-CZ 3.7Å; F273-F309 HydrophobicContact CE1-CB 3.91Å; F273-F309 HydrophobicContact CE1-CG 4.2Å; F273-F309 HydrophobicContact CE2-CB 4.4Å; F273-F309 HydrophobicContact CE2-CD1 4.43Å; F273-F309 AromaticContact CE2-CD2 3.57Å; F273-F309 HydrophobicContact CE2-CD2 3.57Å; F273-F309 AromaticContact CE2-CE2 3.84Å; F273-F309 HydrophobicContact CE2-CE2 3.84Å; F273-F309 AromaticContact CE2-CG 3.88Å; F273-F309 HydrophobicContact CE2-CG 3.88Å; F273-F309 HydrophobicContact CE2-CZ 4.37Å; F273-F309 HydrophobicContact CG-CB 4.08Å; F273-F309 AromaticContact CG-CD1 3.47Å; F273-F309 HydrophobicContact CG-CD1 3.47Å; F273-F309 VanDerWaalsContact CG-CD1 3.47Å; F273-F309 HydrophobicContact CG-CD2 4.12Å; F273-F309 AromaticContact CG-CE1 3.83Å; F273-F309 HydrophobicContact CG-CE1 3.83Å; F273-F309 HydrophobicContact CG-CE2 4.44Å; F273-F309 AromaticContact CG-CG 3.61Å; F273-F309 HydrophobicContact CG-CG 3.61Å; F273-F309 HydrophobicContact CG-CZ 4.29Å; F273-F309 HydrophobicContact CZ-CB 4.2Å; F273-F309 HydrophobicContact CZ-CD2 4.1Å; F273-F309 HydrophobicContact CZ-CG 4.19Å; V275-F309 HydrophobicContact CG2-CE2 3.75Å; V275-F309 HydrophobicContact CG2-CZ 3.75Å; I282-F309 HydrophobicContact CD1-CZ 4.15Å; I282-F309 HydrophobicContact CG2-CE1 3.74Å; I282-F309 HydrophobicContact CG2-CZ 3.71Å; V284-F309 HydrophobicContact CG2-CE1 4.47Å; V298-F309 WeakPolarHBondContact O-CA 3.5Å; M299-F309 HydrophobicContact CB-CD1 3.93Å; M299-F309 HydrophobicContact CB-CE1 3.79Å; M299-F309 HydrophobicContact CG-CD1 4.39Å; M299-F309 HydrophobicContact CG-CE1 3.94Å; M299-F309 HydrophobicContact SD-CE1 4.15Å; M299-F309 HydrophobicContact SD-CZ 4.47Å; V307-F309 HydrophobicContact CG1-CE2 3.93Å; V307-F309 HydrophobicContact CG1-CZ 3.86Å; F309-A321 CarbonylContact O-C 3.5Å; F309-A321 WeakPolarHBondContact O-CA 3.08Å; F309-L322 PolarHBondContact N-O 3.46Å; F309-L322 PolarHBondContact O-N 3.15Å; F309-V324 HydrophobicContact CD2-CB 4.47Å; F309-V324 HydrophobicContact CD2-CG2 3.99Å; F309-V324 HydrophobicContact CE2-CB 4.13Å; F309-V324 HydrophobicContact CE2-CG2 3.96Å
310T92.5Very high77.6Confident28 Ų2859.6 Ų59.617%0.17233%0.334CS..EExtended strand (participates in β ladder)trans-109.2109.8163.6-570000108.1Q95 A297 V298Q95-T310 PolarHBondContact NE2-OG1 2.88Å; A297-T310 VanDerWaalsContact CA-O 3.26Å; A297-T310 WeakPolarHBondContact CA-O 3.44Å; V298-T310 PolarHBondContact N-O 2.95Å; V298-T310 VanDerWaalsContact N-O 3.1Å; V298-T310 PolarHBondContact O-N 3.46Å
311A83.2Confident75.4Confident7 Ų761.9 Ų61.96%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-92.2133.717600000110A296 A297 G319 S320A296-A311 CarbonylContact O-C 3.58Å; A296-A311 WeakPolarHBondContact O-CA 3.35Å; A297-A311 HydrophobicContact CB-CB 4.33Å; A311-G319 CarbonylContact O-C 3.57Å; A311-G319 WeakPolarHBondContact O-CA 3.43Å; A311-S320 PolarHBondContact N-O 2.76Å; A311-S320 VanDerWaalsContact N-O 3.14Å; A311-S320 PolarHBondContact O-N 3.39Å
312G73.6Confident73.5Confident9 Ų966.1 Ų66.19%0.09338%0.38CS..EExtended strand (participates in β ladder)trans-124.5137173.500000111.2A296A296-G312 PolarHBondContact N-O 2.96Å; A296-G312 PolarHBondContact O-N 3.11Å; A296-G312 VanDerWaalsContact O-O 3.14Å
313S61.8Low71.3Confident26 Ų2667.6 Ų67.618%0.18239%0.387CS..  trans-99.6169.2168.665.40000110.5R90 S315 C316R90-S313 PolarHBondContact NH1-O 3.48Å; S313-S315 PolarHBondContact O-N 2.91Å; S313-S315 PolarHBondContact OG-N 3.38Å; S313-S315 PolarHBondContact OG-OG 3.33Å; S313-C316 WeakPolarHBondContact OG-CB 3.46Å; S313-C316 PolarHBondContact OG-N 3.2Å
314S59.6Low69.3Low86 Ų8662.1 Ų62.160%0.60137%0.366SS*.SBendtrans-62.9-2716954.10000112.7N289N289-S314 VanDerWaalsContact ND2-CB 3.33Å; N289-S314 WeakPolarHBondContact ND2-CB 3.45Å; N289-S314 PolarHBondContact ND2-OG 2.94Å
315S53.4Low67.1Low103 Ų10361.9 Ų61.972%0.7236%0.363SS*.SBendtrans-92.7-15.4-175.655.30000115.1S313S313-S315 PolarHBondContact O-N 2.91Å; S313-S315 PolarHBondContact OG-N 3.38Å; S313-S315 PolarHBondContact OG-OG 3.33Å
316C46.5Very low65.3Low58 Ų5863.4 Ų63.439%0.39237%0.371SS..  trans-118.8105.4-173.3-160.10000111.5S313 R318S313-C316 WeakPolarHBondContact OG-CB 3.46Å; S313-C316 PolarHBondContact OG-N 3.2Å; C316-R318 PolarHBondContact O-N 2.88Å; C316-R318 PolarHBondContact SG-O 3.42Å
317P45.5Very low62.9Low103 Ų10363 Ų6367%0.66937%0.37SS*.SBendtrans-68.4-30.8-178.1-19.630.9000114
318R48Very low60.2Low226 Ų22671.6 Ų71.685%0.85341%0.41SS*.SBendtrans-10097.6174.7-71.4-177.4-179.1174.20.8107.7C316C316-R318 PolarHBondContact O-N 2.88Å; C316-R318 PolarHBondContact SG-O 3.42Å
319G51.3Low57.3Low29 Ų2977.9 Ų77.930%0.29944%0.435SS..PPolyproline II helixtrans-54152.2176.800000112.2A311A311-G319 CarbonylContact O-C 3.57Å; A311-G319 WeakPolarHBondContact O-CA 3.43Å
320S52.4Low54.4Low86 Ų8688.9 Ų88.960%0.60148%0.478SS*.EExtended strand (participates in β ladder)trans-90.1126.9172.855.50000109.3A311A311-S320 PolarHBondContact N-O 2.76Å; A311-S320 VanDerWaalsContact N-O 3.14Å; A311-S320 PolarHBondContact O-N 3.39Å
321A53.3Low51.4Low80 Ų8094.7 Ų94.766%0.66150%0.503SS*.EExtended strand (participates in β ladder)trans-85.1117176.200000109.9F309F309-A321 CarbonylContact O-C 3.5Å; F309-A321 WeakPolarHBondContact O-CA 3.08Å
322L57Low49Very low93 Ų9396.9 Ų96.949%0.48753%0.526SS..EExtended strand (participates in β ladder)trans-100.8126.3171.4-162.788000109.1F273 F309 V324F273-L322 HydrophobicContact CE2-CD2 4.29Å; F273-L322 HydrophobicContact CZ-CD2 3.63Å; F309-L322 PolarHBondContact N-O 3.46Å; F309-L322 PolarHBondContact O-N 3.15Å; L322-V324 HydrophobicContact CD2-CG2 3.92Å
323T50.9Low46.9Very low66 Ų66106.1 Ų106.141%0.40556%0.563SS.*EExtended strand (participates in β ladder)trans-95121.1174.9-71.40000110.1K306 T308 F325K306-T323 VanDerWaalsContact NZ-CG2 3.33Å; T308-T323 HydrophobicContact CG2-CG2 4.03Å; T323-F325 HydrophobicContact CG2-CD2 3.81Å; T323-F325 HydrophobicContact CG2-CE1 4.27Å; T323-F325 HydrophobicContact CG2-CE2 3.45Å; T323-F325 VanDerWaalsContact CG2-CE2 3.45Å; T323-F325 HydrophobicContact CG2-CG 4.35Å; T323-F325 HydrophobicContact CG2-CZ 3.72Å
324V54.5Low45.5Very low37 Ų37116.3 Ų116.322%0.22460%0.598CS.*  trans-117.6110.7171.7-175.10000108.8F309 L322 L326F309-V324 HydrophobicContact CD2-CB 4.47Å; F309-V324 HydrophobicContact CD2-CG2 3.99Å; F309-V324 HydrophobicContact CE2-CB 4.13Å; F309-V324 HydrophobicContact CE2-CG2 3.96Å; L322-V324 HydrophobicContact CD2-CG2 3.92Å; V324-L326 HydrophobicContact CG1-CD2 3.98Å; V324-L326 HydrophobicContact CG1-CG 4.01Å; V324-L326 PolarHBondContact O-N 3.26Å; V324-L326 VanDerWaalsContact O-N 3.15Å
325F49.4Very low44.2Very low148 Ų148118 Ų11865%0.64961%0.607SS**  trans-78.8101.4179.6-67-87.3000110.7K306 T323K306-F325 HydrophobicContact CD-CD1 4.06Å; K306-F325 HydrophobicContact CD-CE1 3.72Å; K306-F325 HydrophobicContact CG-CD1 4.25Å; K306-F325 HydrophobicContact CG-CE1 4.42Å; T323-F325 HydrophobicContact CG2-CD2 3.81Å; T323-F325 HydrophobicContact CG2-CE1 4.27Å; T323-F325 HydrophobicContact CG2-CE2 3.45Å; T323-F325 VanDerWaalsContact CG2-CE2 3.45Å; T323-F325 HydrophobicContact CG2-CG 4.35Å; T323-F325 HydrophobicContact CG2-CZ 3.72Å
326L56.9Low43.4Very low46 Ų46117.8 Ų117.824%0.24161%0.611CS.*  trans-96.2-12.3177.8-66.5176.5000114.4M261 V275 I282 V307 V324M261-L326 HydrophobicContact CE-CB 3.99Å; M261-L326 HydrophobicContact CE-CD1 3.59Å; M261-L326 HydrophobicContact CE-CG 4.38Å; V275-L326 HydrophobicContact CG1-CD1 4.19Å; V275-L326 HydrophobicContact CG1-CD2 3.95Å; I282-L326 HydrophobicContact CD1-CD1 3.42Å; I282-L326 VanDerWaalsContact CD1-CD1 3.42Å; I282-L326 HydrophobicContact CG1-CD1 4.21Å; V307-L326 HydrophobicContact CB-CD1 4.2Å; V307-L326 HydrophobicContact CG1-CD1 4.2Å; V307-L326 HydrophobicContact CG2-CD1 4.39Å; V324-L326 HydrophobicContact CG1-CD2 3.98Å; V324-L326 HydrophobicContact CG1-CG 4.01Å; V324-L326 PolarHBondContact O-N 3.26Å; V324-L326 VanDerWaalsContact O-N 3.15Å
327F45.3Very low43Very low60 Ų60124.7 Ų124.726%0.26364%0.635SS.*  trans-112.582.8179.9-70.6-96.3000111.1I186 M261 M305 V307I186-F327 HydrophobicContact CD1-CE2 4.34Å; I186-F327 HydrophobicContact CD1-CZ 4.03Å; I186-F327 HydrophobicContact CG1-CZ 4.29Å; M261-F327 HydrophobicContact CE-CE2 4.38Å; M305-F327 HydrophobicContact CB-CD1 4.22Å; M305-F327 HydrophobicContact CB-CD2 4.2Å; M305-F327 HydrophobicContact CB-CE1 4.17Å; M305-F327 HydrophobicContact CB-CE2 4.17Å; M305-F327 HydrophobicContact CB-CG 4.21Å; M305-F327 HydrophobicContact CB-CZ 4.16Å; M305-F327 HydrophobicContact CE-CE1 4.28Å; M305-F327 HydrophobicContact CE-CZ 3.85Å; M305-F327 WeakPolarHBondContact O-CD2 3.28Å; M305-F327 WeakPolarHBondContact O-CE2 3.37Å; V307-F327 HydrophobicContact CG2-CD2 4.39Å; V307-F327 HydrophobicContact CG2-CE2 3.98Å
328Q38.2Very low42.5Very low180 Ų180123.3 Ų123.384%0.84164%0.64SS**  trans-85.2127.8149.9-82.1-175.2-1200107.9Y330Q328-Y330 PolarHBondContact O-N 3.3Å
329K33.9Very low41.9Very low165 Ų165124.3 Ų124.372%0.71764%0.643SS**  trans-42.9104.4176.5-91.5-179.7167.5-173.30111Q331K329-Q331 HydrophobicContact CB-CB 4.45Å; K329-Q331 HydrophobicContact CB-CG 4.13Å; K329-Q331 HydrophobicContact CD-CG 3.8Å; K329-Q331 HydrophobicContact CG-CG 3.98Å; K329-Q331 PolarHBondContact O-N 3.14Å
330Y35.2Very low41.3Very low231 Ų231127.5 Ų127.591%0.90667%0.667SS**  trans-75.671.1147.4-100.8-91.1000107.7Q328 G332Q328-Y330 PolarHBondContact O-N 3.3Å; Y330-G332 PolarHBondContact O-N 3.34Å
331Q30.6Very low40.7Very low150 Ų150128.4 Ų128.470%0.70168%0.679SS**  trans-82.690.2159.7-80-160.7-21.400107.1K329K329-Q331 HydrophobicContact CB-CB 4.45Å; K329-Q331 HydrophobicContact CB-CG 4.13Å; K329-Q331 HydrophobicContact CD-CG 3.8Å; K329-Q331 HydrophobicContact CG-CG 3.98Å; K329-Q331 PolarHBondContact O-N 3.14Å
332G31Very low39.9Very low52 Ų52128.1 Ų128.154%0.53669%0.685SS.*  trans173.977.2177.900000115.2Y330Y330-G332 PolarHBondContact O-N 3.34Å
333K29.7Very low39Very low203 Ų203134.9 Ų134.988%0.88370%0.704SS**  trans152100.7134.2-81.8168.4-174.7-178.20108.6
334R32Very low38.5Very low241 Ų241138 Ų13891%0.90973%0.725SS**PPolyproline II helixtrans-55.7137.1160.3-83.1179.8165.7-177.3-4.4107.7A336R334-A336 PolarHBondContact O-N 2.82Å
335P34.3Very low37.8Very low122 Ų122148 Ų14879%0.79276%0.759SS**PPolyproline II helixtrans-57.4130.8174.422.5-30.4000108.8K337P335-K337 PolarHBondContact O-N 3.19Å; P335-K337 VanDerWaalsContact O-N 3.12Å
336A36.3Very low37Very low98 Ų98144.9 Ų144.981%0.8177%0.768SS**PPolyproline II helixtrans-55120.4177.300000108.3R334 G338R334-A336 PolarHBondContact O-N 2.82Å; A336-G338 PolarHBondContact O-N 3.41Å
337K37.3Very low36.1Very low202 Ų202146.3 Ų146.388%0.87879%0.794SS**  trans-54.1113.3167.8-77.3-175.3174.2-1760106.8P335 R339P335-K337 PolarHBondContact O-N 3.19Å; P335-K337 VanDerWaalsContact O-N 3.12Å; K337-R339 PolarHBondContact O-N 3.42Å
338G35.4Very low35.6Very low75 Ų75152.6 Ų152.677%0.77382%0.824SS**PPolyproline II helixtrans-49.5117.8172.900000108.8A336 A340A336-G338 PolarHBondContact O-N 3.41Å; G338-A340 PolarHBondContact O-N 3.38Å
339R35.4Very low35.8Very low246 Ų246157.3 Ų157.393%0.92884%0.842SS**PPolyproline II helixtrans-54.6123.5173.2-102.4173.7163177.4-5.5107.9K337 A341K337-R339 PolarHBondContact O-N 3.42Å; R339-A341 PolarHBondContact O-N 3.12Å
340A37.5Very low35.9Very low97 Ų97156.9 Ų156.980%0.80285%0.848SS**PPolyproline II helixtrans-48.5125.9165.700000109.8G338 G342G338-A340 PolarHBondContact O-N 3.38Å; A340-G342 PolarHBondContact O-N 3.02Å
341A40.9Very low36Very low104 Ų104153 Ų15386%0.8685%0.845SS**  trans-59104169.800000108.7R339R339-A341 PolarHBondContact O-N 3.12Å
342G35.8Very low36.3Very low75 Ų75153.2 Ų153.277%0.77385%0.853SS**PPolyproline II helixtrans-67.3134.2171.700000110.5A340A340-G342 PolarHBondContact O-N 3.02Å
343R37.5Very low36.6Very low235 Ų235159.1 Ų159.189%0.88787%0.871SS**PPolyproline II helixtrans-52.2148.3176.8-72.7176.1172-167.5-3.6113.1R345R343-R345 PolarHBondContact O-N 3.31Å
344P40.6Very low37Very low131 Ų131156.4 Ų156.485%0.85187%0.871SS**PPolyproline II helixtrans-71.4121.3169.528.9-29.8000109.9
345R41.2Very low37.4Very low247 Ų247150.7 Ų150.793%0.93287%0.868SS**PPolyproline II helixtrans-87129.4161.3-85.3-173.6173.1-175.6-2108.3R343R343-R345 PolarHBondContact O-N 3.31Å
346G31.6Very low37.6Very low82 Ų82152.8 Ų152.885%0.84587%0.874SS**PPolyproline II helixtrans-58.7150171.200000112.4
347G38.6Very low37.7Very low77 Ų77157 Ų15779%0.79488%0.878SS**  trans-136.7111.1170.300000108.2
348H35.6Very low37.7Very low192 Ų192153.3 Ų153.389%0.88988%0.879SS**  trans-51.3138.9168.2-76.4-89.9000112.4
349K42.6Very low37.9Very low278 Ų278160.4 Ų160.4100%1.20989%0.888SS**  -152.50119.9-102.1-175-175.9-174.60109.2

Retrieved 349 of 349 residues in 1470.7 ms (Link to these results)

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