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Argininosuccinate lyase

Catalyzes the reversible cleavage of L-argininosuccinate to fumarate and L-arginine, an intermediate step reaction in the urea cycle mostly providing for hepatic nitrogen detoxification into excretable urea as well as de novo L-arginine synthesis in nonhepatic tissues. Essential regulator of intracellular and extracellular L-arginine pools. As part of citrulline-nitric oxide cycle, forms tissue-specific multiprotein complexes with argininosuccinate synthase ASS1, transport protein SLC7A1 and nitric oxide synthase NOS1, NOS2 or NOS3, allowing for cell-autonomous L-arginine synthesis while channeling extracellular L-arginine to nitric oxide synthesis pathway.

AlphaFold DB (P04424), UniProt , Accession A0A024RDL8, Species HUMAN (Homo sapiens, Human), Gene ASL, Length 464 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
1M27.9Very low47.9Very low242 Ų24299.5 Ų99.5100%1.19262%0.622SS**  0110.30-67.3178.3-171.500106.2S3M1-S3 PolarHBondContact O-N 3.35Å
2A26.2Very low49.9Very low102 Ų102110.1 Ų110.184%0.84364%0.642SS**  trans-61.8118.7166.900000105.7E4A2-E4 PolarHBondContact O-N 2.96Å
3S30.8Very low51.8Low106 Ų106110.4 Ų110.474%0.74163%0.631SS**  trans-56.6124.5168.346.70000106.4M1 S5M1-S3 PolarHBondContact O-N 3.35Å; S3-S5 VanDerWaalsContact C-N 3.26Å; S3-S5 PolarHBondContact O-N 2.85Å
4E40.7Very low53.6Low176 Ų176114 Ų11482%0.82266%0.655SS**  trans-56.799.8166.1-77.7-170.9149.100106.2A2 G6A2-E4 PolarHBondContact O-N 2.96Å; E4-G6 PolarHBondContact O-N 3.07Å
5S44.5Very low55.5Low74 Ų74109.9 Ų109.952%0.51765%0.647SS.*  trans-64.5111.9176.563.50000106.3S3 K7S3-S5 VanDerWaalsContact C-N 3.26Å; S3-S5 PolarHBondContact O-N 2.85Å; S5-K7 PolarHBondContact O-N 3.47Å
6G52.1Low57.1Low52 Ų52109.5 Ų109.554%0.53666%0.661SS.*  trans-638.8178.200000114.9E4E4-G6 PolarHBondContact O-N 3.07Å
7K58.1Low58.6Low47 Ų47105.4 Ų105.420%0.20464%0.636CS.*  trans-82.1126.2179.7-60.4-166.6178.9-170.60110S5 W9 G10 E22S5-K7 PolarHBondContact O-N 3.47Å; K7-W9 HydrophobicContact CB-CD2 4.45Å; K7-W9 HydrophobicContact CD-CH2 4.06Å; K7-W9 HydrophobicContact CD-CZ2 4.01Å; K7-W9 HydrophobicContact CD-CZ3 4.35Å; K7-W9 PolarHBondContact O-N 3.32Å; K7-G10 PolarHBondContact O-N 2.65Å; K7-E22 WeakPolarHBondContact CE-OE1 3.42Å; K7-E22 IonicContact NZ-OE1 3.93Å; K7-E22 PolarHBondContact NZ-OE1 3.37Å
8L58.1Low60.4Low87 Ų87104.7 Ų104.746%0.45563%0.628SS.*THydrogen-bonded Turntrans-59.8-16.1179-72.9153.5000114.1T90 E93L8-T90 HydrophobicContact CD1-CG2 4.48Å; L8-T90 WeakPolarHBondContact CD1-OG1 3.43Å; L8-E93 WeakPolarHBondContact CD2-OE2 3.44Å
9W65.2Low62Low94 Ų94104.3 Ų104.336%0.35663%0.628SS.*THydrogen-bonded Turntrans-115.412.8-175.443.3-93.3000113.8K7 G11 F13 V17 E86K7-W9 HydrophobicContact CB-CD2 4.45Å; K7-W9 HydrophobicContact CD-CH2 4.06Å; K7-W9 HydrophobicContact CD-CZ2 4.01Å; K7-W9 HydrophobicContact CD-CZ3 4.35Å; K7-W9 PolarHBondContact O-N 3.32Å; W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.41Å; W9-F13 HydrophobicContact CD2-CE2 4.33Å; W9-F13 HydrophobicContact CD2-CZ 4.44Å; W9-F13 HydrophobicContact CE3-CD1 4.44Å; W9-F13 AromaticContact CE3-CD2 3.76Å; W9-F13 HydrophobicContact CE3-CD2 3.76Å; W9-F13 AromaticContact CE3-CE1 3.93Å; W9-F13 HydrophobicContact CE3-CE1 3.93Å; W9-F13 AromaticContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CG 4.37Å; W9-F13 AromaticContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CH2-CZ 4.5Å; W9-F13 AromaticContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD2 4.07Å; W9-F13 AromaticContact CZ3-CE1 3.46Å; W9-F13 HydrophobicContact CZ3-CE1 3.46Å; W9-F13 VanDerWaalsContact CZ3-CE1 3.46Å; W9-F13 AromaticContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CG 4.23Å; W9-F13 AromaticContact CZ3-CZ 3.31Å; W9-F13 HydrophobicContact CZ3-CZ 3.31Å; W9-F13 VanDerWaalsContact O-CD2 3.24Å; W9-F13 WeakPolarHBondContact O-CD2 3.49Å; W9-F13 WeakPolarHBondContact O-CE2 3.39Å; W9-V17 HydrophobicContact CH2-CG2 3.96Å; W9-V17 HydrophobicContact CZ3-CG2 4.23Å; W9-E86 VanDerWaalsContact CE2-OE2 3.31Å; W9-E86 VanDerWaalsContact CZ2-OE2 3.29Å; W9-E86 WeakPolarHBondContact CZ2-OE2 3.49Å; W9-E86 PolarHBondContact NE1-OE2 3.23Å
10G57.8Low63.6Low22 Ų22105.9 Ų105.923%0.22763%0.632CS.*G310 helixtrans-65.5-20.8-169.800000117.2K7 R12 F13K7-G10 PolarHBondContact O-N 2.65Å; G10-R12 PolarHBondContact O-N 3.24Å; G10-F13 PolarHBondContact O-N 2.88Å
11G65.6Low65Low92 Ų92105.4 Ų105.495%0.94862%0.624SS**G310 helixtrans-62.5-12.9-16800000116.9W9W9-G11 VanDerWaalsContact C-N 3.33Å; W9-G11 PolarHBondContact O-N 3.41Å
12R72.5Confident68Low227 Ų22797.3 Ų97.386%0.85758%0.583SS**G310 helixtrans-107.2-11-178-173.3172.7174.9131.50.5114.1G10G10-R12 PolarHBondContact O-N 3.24Å
13F74Confident71.1Confident114 Ų114100.9 Ų100.950%0.558%0.58SS.*  trans-89.2120.1-165.8-68.7-100.9000110.9W9 G10W9-F13 HydrophobicContact CD2-CE2 4.33Å; W9-F13 HydrophobicContact CD2-CZ 4.44Å; W9-F13 HydrophobicContact CE3-CD1 4.44Å; W9-F13 AromaticContact CE3-CD2 3.76Å; W9-F13 HydrophobicContact CE3-CD2 3.76Å; W9-F13 AromaticContact CE3-CE1 3.93Å; W9-F13 HydrophobicContact CE3-CE1 3.93Å; W9-F13 AromaticContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CE2 3.22Å; W9-F13 HydrophobicContact CE3-CG 4.37Å; W9-F13 AromaticContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CE3-CZ 3.29Å; W9-F13 HydrophobicContact CH2-CZ 4.5Å; W9-F13 AromaticContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD1 3.94Å; W9-F13 HydrophobicContact CZ3-CD2 4.07Å; W9-F13 AromaticContact CZ3-CE1 3.46Å; W9-F13 HydrophobicContact CZ3-CE1 3.46Å; W9-F13 VanDerWaalsContact CZ3-CE1 3.46Å; W9-F13 AromaticContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CE2 3.68Å; W9-F13 HydrophobicContact CZ3-CG 4.23Å; W9-F13 AromaticContact CZ3-CZ 3.31Å; W9-F13 HydrophobicContact CZ3-CZ 3.31Å; W9-F13 VanDerWaalsContact O-CD2 3.24Å; W9-F13 WeakPolarHBondContact O-CD2 3.49Å; W9-F13 WeakPolarHBondContact O-CE2 3.39Å; G10-F13 PolarHBondContact O-N 2.88Å
14V77.5Confident74.2Confident161 Ų161103.7 Ų103.798%0.97658%0.579SS**SBendtrans-85.7-6.6-179.3-660000113.7
15G81.5Confident76.8Confident52 Ų5296.5 Ų96.554%0.53655%0.546SS..SBendtrans-148.6178-179.700000112
16A80.9Confident79.2Confident104 Ų10494.4 Ų94.486%0.8653%0.534SS*.PPolyproline II helixtrans-81148174.900000111.1
17V82.9Confident81.3Confident40 Ų4092.1 Ų92.124%0.24251%0.509CS..PPolyproline II helixtrans-71141171-179.20000108.5W9 M21 E22W9-V17 HydrophobicContact CH2-CG2 3.96Å; W9-V17 HydrophobicContact CZ3-CG2 4.23Å; V17-M21 HydrophobicContact CG1-CB 4.01Å; V17-M21 HydrophobicContact CG1-CG 4.02Å; V17-E22 HydrophobicContact CG1-CB 4.2Å
18D90.7Very high83.2Confident93 Ų9391 Ų9150%0.49751%0.505SS..PPolyproline II helixtrans-60.8135.4174.9-172.6-73.3000110.5I20 M21 E22D18-I20 PolarHBondContact O-N 3.49Å; D18-I20 VanDerWaalsContact OD1-CB 3.28Å; D18-I20 WeakPolarHBondContact OD1-CB 3.32Å; D18-I20 PolarHBondContact OD1-N 3.11Å; D18-M21 HydrophobicContact CB-CB 4.24Å; D18-M21 WeakPolarHBondContact O-CB 3.49Å; D18-M21 PolarHBondContact O-N 3.32Å; D18-E22 PolarHBondContact O-N 3.44Å
19P90.3Very high85Confident97 Ų9790.2 Ų90.263%0.6351%0.511SS*.Hα-helixtrans-56.5-32.2-179.6-26.134.4000114.6K23P19-K23 WeakPolarHBondContact O-CB 3.46Å; P19-K23 PolarHBondContact O-N 3.05Å
20I94.5Very high86.5Confident136 Ų13687.5 Ų87.570%0.69750%0.501SS*.Hα-helixtrans-66.5-46.1175.5-61.5178.5000109.6D18 E22 K23 F24D18-I20 PolarHBondContact O-N 3.49Å; D18-I20 VanDerWaalsContact OD1-CB 3.28Å; D18-I20 WeakPolarHBondContact OD1-CB 3.32Å; D18-I20 PolarHBondContact OD1-N 3.11Å; I20-E22 VanDerWaalsContact C-N 3.35Å; I20-K23 PolarHBondContact O-N 3.03Å; I20-F24 VanDerWaalsContact O-CB 3.27Å; I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 3.04Å
21M93.4Very high88.4Confident96 Ų9686.5 Ų86.547%0.47349%0.491SS..Hα-helixtrans-65.8-39.5178.1-177.160.6-168.400111.5V17 D18 F24 N25V17-M21 HydrophobicContact CG1-CB 4.01Å; V17-M21 HydrophobicContact CG1-CG 4.02Å; D18-M21 HydrophobicContact CB-CB 4.24Å; D18-M21 WeakPolarHBondContact O-CB 3.49Å; D18-M21 PolarHBondContact O-N 3.32Å; M21-F24 PolarHBondContact O-N 3.24Å; M21-F24 HydrophobicContact SD-CD1 4.26Å; M21-N25 HydrophobicContact CE-CB 4.3Å; M21-N25 WeakPolarHBondContact O-CB 3.36Å; M21-N25 PolarHBondContact O-N 3.38Å
22E90.7Very high90Very high71 Ų7186.8 Ų86.833%0.33246%0.463SS..Hα-helixtrans-62.2-46.6177.7-174.5161.4-136.700111.5K7 V17 D18 I20 N25 A26K7-E22 WeakPolarHBondContact CE-OE1 3.42Å; K7-E22 IonicContact NZ-OE1 3.93Å; K7-E22 PolarHBondContact NZ-OE1 3.37Å; V17-E22 HydrophobicContact CG1-CB 4.2Å; D18-E22 PolarHBondContact O-N 3.44Å; I20-E22 VanDerWaalsContact C-N 3.35Å; E22-N25 PolarHBondContact O-N 2.93Å; E22-A26 WeakPolarHBondContact O-CB 3.37Å; E22-A26 PolarHBondContact O-N 2.89Å
23K92Very high91Very high178 Ų17881 Ų8177%0.77445%0.446SS*.Hα-helixtrans-64-40.8174.6-177-178175-174.90112.4P19 I20 N25P19-K23 WeakPolarHBondContact O-CB 3.46Å; P19-K23 PolarHBondContact O-N 3.05Å; I20-K23 PolarHBondContact O-N 3.03Å; K23-N25 VanDerWaalsContact C-N 3.33Å
24F94.7Very high92.2Very high165 Ų16575.6 Ų75.672%0.72442%0.422SS*.Hα-helixtrans-68.3-32.3-179.5179.9-108.7000112.6I20 M21I20-F24 VanDerWaalsContact O-CB 3.27Å; I20-F24 WeakPolarHBondContact O-CB 3.49Å; I20-F24 PolarHBondContact O-N 3.04Å; M21-F24 PolarHBondContact O-N 3.24Å; M21-F24 HydrophobicContact SD-CD1 4.26Å
25N94.8Very high93.2Very high25 Ų2570.6 Ų70.613%0.13439%0.386CS..Hα-helixtrans-84.6-26.8179.8175.785000113.6M21 E22 K23 S27 E86 K323 Q326M21-N25 HydrophobicContact CE-CB 4.3Å; M21-N25 WeakPolarHBondContact O-CB 3.36Å; M21-N25 PolarHBondContact O-N 3.38Å; E22-N25 PolarHBondContact O-N 2.93Å; K23-N25 VanDerWaalsContact C-N 3.33Å; N25-S27 PolarHBondContact O-N 3.08Å; N25-E86 PolarHBondContact ND2-OE1 2.94Å; N25-K323 WeakPolarHBondContact OD1-CE 3.47Å; N25-K323 PolarHBondContact OD1-NZ 2.93Å; N25-K323 VanDerWaalsContact OD1-NZ 3.1Å; N25-Q326 PolarHBondContact O-NE2 2.92Å
26A95.3Very high94Very high30 Ų3073 Ų7325%0.24838%0.383CS..  trans-64.6132.3-176.800000111.8E22 E86E22-A26 WeakPolarHBondContact O-CB 3.37Å; E22-A26 PolarHBondContact O-N 2.89Å; A26-E86 WeakPolarHBondContact CA-O 3.42Å
27S97.4Very high94.9Very high4 Ų468.1 Ų68.13%0.02834%0.343CS..  trans-110.6-7.2177480000113.9N25 A29 Y30 D31 E86 D87 Q326N25-S27 PolarHBondContact O-N 3.08Å; S27-A29 PolarHBondContact O-N 3.21Å; S27-Y30 VanDerWaalsContact CB-CE2 3.45Å; S27-Y30 VanDerWaalsContact CB-CZ 3.41Å; S27-Y30 WeakPolarHBondContact CB-OH 3.18Å; S27-Y30 PolarHBondContact O-N 2.84Å; S27-D31 VanDerWaalsContact C-CG 3.47Å; S27-D31 WeakPolarHBondContact CB-OD2 3.45Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.8Å; S27-D31 PolarHBondContact OG-OD2 2.69Å; S27-E86 PolarHBondContact N-O 3.36Å; S27-D87 WeakPolarHBondContact OG-CB 3.37Å; S27-Q326 PolarHBondContact OG-NE2 3.34Å
28I97.5Very high95.6Very high22 Ų2266.3 Ų66.311%0.11333%0.332CS..THydrogen-bonded Turntrans-55.3-20.5-179.4-165.858.7000115Y30 D31 R32 L81 D85 E86 I88 A91I28-Y30 VanDerWaalsContact C-N 3.25Å; I28-Y30 PolarHBondContact O-N 3.19Å; I28-D31 VanDerWaalsContact CA-OD1 3.22Å; I28-D31 WeakPolarHBondContact CA-OD1 3.35Å; I28-D31 PolarHBondContact N-OD1 2.73Å; I28-R32 HydrophobicContact CD1-CB 4.4Å; I28-R32 PolarHBondContact O-NE 3.23Å; I28-R32 PolarHBondContact O-NH2 2.63Å; I28-L81 HydrophobicContact CD1-CD2 3.55Å; I28-L81 HydrophobicContact CG1-CD2 3.19Å; I28-D85 HydrophobicContact CG1-CB 4.49Å; I28-D85 WeakPolarHBondContact CG2-O 3.49Å; I28-E86 PolarHBondContact N-O 3.17Å; I28-E86 VanDerWaalsContact N-O 3.16Å; I28-I88 HydrophobicContact CD1-CB 4.29Å; I28-A91 HydrophobicContact CD1-CB 4.3Å
29A96.3Very high96Very high71 Ų7162.1 Ų62.159%0.58731%0.309SS*.THydrogen-bonded Turntrans-61.7-34.3174.600000112.3S27 R32S27-A29 PolarHBondContact O-N 3.21Å; A29-R32 PolarHBondContact O-NE 2.99Å
30Y96.9Very high96.4Very high38 Ų3861 Ų6115%0.14930%0.296CS..THydrogen-bonded Turntrans-125.1-35.3-175.151.7-101.2000113.4S27 I28 R32 H33 K329 E330 F333S27-Y30 VanDerWaalsContact CB-CE2 3.45Å; S27-Y30 VanDerWaalsContact CB-CZ 3.41Å; S27-Y30 WeakPolarHBondContact CB-OH 3.18Å; S27-Y30 PolarHBondContact O-N 2.84Å; I28-Y30 VanDerWaalsContact C-N 3.25Å; I28-Y30 PolarHBondContact O-N 3.19Å; Y30-R32 PolarHBondContact O-N 3.46Å; Y30-R32 VanDerWaalsContact O-N 3.15Å; Y30-H33 PolarHBondContact O-CD2 3.44Å; Y30-H33 PolarHBondContact O-N 2.73Å; Y30-K329 HydrophobicContact CD2-CB 4.11Å; Y30-K329 HydrophobicContact CE2-CB 4.03Å; Y30-K329 HydrophobicContact CE2-CD 4.29Å; Y30-E330 HydrophobicContact CD1-CG 3.68Å; Y30-E330 HydrophobicContact CD2-CG 3.83Å; Y30-E330 HydrophobicContact CE1-CG 3.78Å; Y30-E330 WeakPolarHBondContact CE1-OE1 3.41Å; Y30-E330 HydrophobicContact CE2-CG 3.94Å; Y30-E330 HydrophobicContact CG-CG 3.7Å; Y30-F333 HydrophobicContact CD2-CE2 4.27Å; Y30-F333 WeakPolarHBondContact O-CE2 3.44Å
31D97.8Very high96.6Very high1 Ų154.6 Ų54.61%0.00526%0.263CS..G310 helixtrans-72.1-8.1-179.476.19.4000113.3S27 I28 H33 L34 D87 I88 K329S27-D31 VanDerWaalsContact C-CG 3.47Å; S27-D31 WeakPolarHBondContact CB-OD2 3.45Å; S27-D31 VanDerWaalsContact O-CG 3.25Å; S27-D31 PolarHBondContact O-N 2.8Å; S27-D31 PolarHBondContact OG-OD2 2.69Å; I28-D31 VanDerWaalsContact CA-OD1 3.22Å; I28-D31 WeakPolarHBondContact CA-OD1 3.35Å; I28-D31 PolarHBondContact N-OD1 2.73Å; D31-H33 PolarHBondContact O-N 2.66Å; D31-L34 HydrophobicContact CB-CD1 4.39Å; D31-L34 VanDerWaalsContact O-CB 3.31Å; D31-L34 WeakPolarHBondContact O-CB 3.41Å; D31-L34 PolarHBondContact O-N 2.96Å; D31-D87 VanDerWaalsContact OD2-CB 3.26Å; D31-D87 WeakPolarHBondContact OD2-CB 3.4Å; D31-I88 HydrophobicContact CB-CG2 4.19Å; D31-I88 WeakPolarHBondContact O-CG2 3.11Å; D31-I88 WeakPolarHBondContact OD1-CB 3.37Å; D31-I88 PolarHBondContact OD1-N 2.95Å; D31-I88 PolarHBondContact OD2-N 2.97Å; D31-K329 HydrophobicContact CB-CD 3.94Å
32R97.5Very high96.9Very high97 Ų9750.2 Ų50.237%0.36624%0.242SC..G310 helixtrans-51.5-26.8169.171.8176.766.5-172.41.5112.6I28 A29 Y30 L34 W35 W74I28-R32 HydrophobicContact CD1-CB 4.4Å; I28-R32 PolarHBondContact O-NE 3.23Å; I28-R32 PolarHBondContact O-NH2 2.63Å; A29-R32 PolarHBondContact O-NE 2.99Å; Y30-R32 PolarHBondContact O-N 3.46Å; Y30-R32 VanDerWaalsContact O-N 3.15Å; R32-L34 PolarHBondContact O-N 3.45Å; R32-W35 WeakPolarHBondContact O-CB 3.15Å; R32-W35 PolarHBondContact O-N 2.99Å; R32-W35 VanDerWaalsContact O-N 3.16Å; R32-W74 HydrophobicContact CB-CH2 4.44Å
33H94.7Very high97.3Very high107 Ų10749.2 Ų49.250%0.49524%0.237SC..G310 helixtrans-63.5-16.4175.5-67.6-61000113.7Y30 D31 W35 F333Y30-H33 PolarHBondContact O-CD2 3.44Å; Y30-H33 PolarHBondContact O-N 2.73Å; D31-H33 PolarHBondContact O-N 2.66Å; H33-W35 VanDerWaalsContact C-N 3.34Å; H33-F333 HydrophobicContact CB-CZ 4.47Å
34L98.7Very high97.6Very high0 Ų040.8 Ų40.80%020%0.2CC..G310 helixtrans-88.23.7177-56.1177.4000113.2D31 R32 E36 V37 D38 I88 D120 W124 K329 F333D31-L34 HydrophobicContact CB-CD1 4.39Å; D31-L34 VanDerWaalsContact O-CB 3.31Å; D31-L34 WeakPolarHBondContact O-CB 3.41Å; D31-L34 PolarHBondContact O-N 2.96Å; R32-L34 PolarHBondContact O-N 3.45Å; L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å; L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 HydrophobicContact CD2-CG2 4.08Å; L34-V37 WeakPolarHBondContact O-CG2 3.47Å; L34-V37 PolarHBondContact O-N 3.13Å; L34-D38 WeakPolarHBondContact O-CB 3.48Å; L34-D38 PolarHBondContact O-N 2.67Å; L34-I88 HydrophobicContact CB-CG2 4.27Å; L34-D120 HydrophobicContact CB-CB 4.49Å; L34-D120 HydrophobicContact CD1-CB 4.36Å; L34-W124 HydrophobicContact CD2-CB 3.57Å; L34-W124 HydrophobicContact CD2-CD2 4.47Å; L34-W124 HydrophobicContact CD2-CG 3.65Å; L34-K329 HydrophobicContact CD1-CD 4.16Å; L34-F333 HydrophobicContact CD1-CZ 4.3Å; L34-F333 HydrophobicContact CD2-CE1 4.09Å; L34-F333 HydrophobicContact CD2-CZ 3.88Å; L34-F333 HydrophobicContact CG-CZ 3.93Å
35W98.7Very high97.8Very high55 Ų5533 Ų3321%0.20817%0.166CC..Hα-helixtrans-55.2-41.7-174.575.3-99000112.9R32 H33 V39 A71 W74 A75 I88R32-W35 WeakPolarHBondContact O-CB 3.15Å; R32-W35 PolarHBondContact O-N 2.99Å; R32-W35 VanDerWaalsContact O-N 3.16Å; H33-W35 VanDerWaalsContact C-N 3.34Å; W35-V39 VanDerWaalsContact O-CG2 3.32Å; W35-V39 WeakPolarHBondContact O-CG2 3.48Å; W35-V39 PolarHBondContact O-N 3.25Å; W35-A71 HydrophobicContact CZ3-CB 3.89Å; W35-W74 HydrophobicContact CB-CD2 3.92Å; W35-W74 HydrophobicContact CB-CE3 4.5Å; W35-W74 HydrophobicContact CB-CG 4.05Å; W35-W74 HydrophobicContact CB-CZ2 4.4Å; W35-W74 HydrophobicContact CD2-CB 3.4Å; W35-W74 VanDerWaalsContact CD2-CB 3.4Å; W35-W74 HydrophobicContact CD2-CD2 4.17Å; W35-W74 AromaticContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CE3-CB 3.37Å; W35-W74 AromaticContact CE3-CD1 3.73Å; W35-W74 AromaticContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CG-CB 4.06Å; W35-W74 AromaticContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CE3 4.22Å; W35-W74 AromaticContact CG-CG 3.78Å; W35-W74 HydrophobicContact CG-CG 3.78Å; W35-W74 HydrophobicContact CH2-CB 3.93Å; W35-W74 HydrophobicContact CZ2-CB 3.95Å; W35-W74 HydrophobicContact CZ3-CB 3.66Å; W35-W74 HydrophobicContact CZ3-CG 4.39Å; W35-A75 HydrophobicContact CH2-CB 4.24Å; W35-I88 HydrophobicContact CB-CD1 3.53Å; W35-I88 HydrophobicContact CB-CG1 3.94Å
36E98.5Very high98Very high103 Ų10331.8 Ų31.848%0.48116%0.159SC..Hα-helixtrans-66.5-45.9-175.6-174179.2-177.600110.6L34 Q40L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å; E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 3.18Å
37V98.8Very high98.1Very high2 Ų234 Ų341%0.01216%0.162CC..Hα-helixtrans-76.2-31.2-178.4-65.30000112.5L34 Q40 G41 D120 L123 W124L34-V37 HydrophobicContact CB-CG2 3.94Å; L34-V37 HydrophobicContact CD2-CG2 4.08Å; L34-V37 WeakPolarHBondContact O-CG2 3.47Å; L34-V37 PolarHBondContact O-N 3.13Å; V37-Q40 PolarHBondContact O-N 3.49Å; V37-G41 PolarHBondContact O-N 3.21Å; V37-D120 HydrophobicContact CG2-CB 3.98Å; V37-D120 WeakPolarHBondContact CG2-O 3.1Å; V37-L123 HydrophobicContact CB-CB 3.78Å; V37-L123 HydrophobicContact CB-CD1 4.19Å; V37-L123 HydrophobicContact CG1-CB 3.74Å; V37-W124 HydrophobicContact CG1-CB 4.41Å; V37-W124 HydrophobicContact CG2-CB 4.17Å
38D98.9Very high98.2Very high2 Ų233.8 Ų33.81%0.01116%0.16CC..Hα-helixtrans-66.1-42.5172.5174.557.9000111.3L34 G41 S42 H89 N92 Q116 D120L34-D38 WeakPolarHBondContact O-CB 3.48Å; L34-D38 PolarHBondContact O-N 2.67Å; D38-G41 PolarHBondContact O-N 2.98Å; D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.87Å; D38-S42 PolarHBondContact O-OG 3.01Å; D38-H89 IonicContact OD1-CD2 2.87Å; D38-N92 WeakPolarHBondContact OD2-CB 3.39Å; D38-N92 PolarHBondContact OD2-ND2 3.16Å; D38-Q116 PolarHBondContact OD1-NE2 3.42Å; D38-D120 WeakPolarHBondContact CA-OD1 3.46Å
39V98.8Very high98.2Very high5 Ų532.8 Ų32.83%0.0316%0.155CC..Hα-helixtrans-63.7-45.2173.2172.90000110.3W35 G41 S42 K43 L67 V70 A71W35-V39 VanDerWaalsContact O-CG2 3.32Å; W35-V39 WeakPolarHBondContact O-CG2 3.48Å; W35-V39 PolarHBondContact O-N 3.25Å; V39-G41 PolarHBondContact O-N 3.19Å; V39-S42 PolarHBondContact O-N 3.35Å; V39-K43 HydrophobicContact CG1-CD 4.29Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 2.9Å; V39-L67 HydrophobicContact CG1-CB 4.07Å; V39-L67 HydrophobicContact CG1-CD2 4.4Å; V39-V70 HydrophobicContact CG2-CG1 4.19Å; V39-A71 HydrophobicContact CG1-CB 4.09Å
40Q98.7Very high98.3Very high73 Ų7332.5 Ų32.534%0.34114%0.142SC..Hα-helixtrans-58.3-49.4176.2-173.6-175.418.300112E36 V37 S42 K43 A44 L220E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 3.18Å; V37-Q40 PolarHBondContact O-N 3.49Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.38Å; Q40-K43 PolarHBondContact O-N 3.31Å; Q40-A44 PolarHBondContact O-N 3.38Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; Q40-L220 HydrophobicContact CG-CD2 3.88Å
41G98.8Very high98.4Very high2 Ų236.4 Ų36.42%0.02116%0.159CC..Hα-helixtrans-59.4-40.917700000112.1V37 D38 V39 A44 Y45V37-G41 PolarHBondContact O-N 3.21Å; D38-G41 PolarHBondContact O-N 2.98Å; V39-G41 PolarHBondContact O-N 3.19Å; G41-A44 PolarHBondContact O-N 3.31Å; G41-Y45 WeakPolarHBondContact O-CB 3.42Å; G41-Y45 PolarHBondContact O-N 3.34Å
42S98.8Very high98.4Very high4 Ų438.1 Ų38.13%0.02817%0.174CC..Hα-helixtrans-67.5-36.6176.6-71.10000113.3D38 V39 Q40 Y45 S46 R111D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.87Å; D38-S42 PolarHBondContact O-OG 3.01Å; V39-S42 PolarHBondContact O-N 3.35Å; Q40-S42 VanDerWaalsContact C-N 3.3Å; Q40-S42 PolarHBondContact O-N 3.38Å; S42-Y45 PolarHBondContact O-N 2.76Å; S42-S46 PolarHBondContact O-N 2.85Å; S42-R111 PolarHBondContact OG-NH1 3.32Å; S42-R111 PolarHBondContact OG-NH2 3.06Å
43K98.9Very high98.5Very high50 Ų5036.6 Ų36.622%0.21719%0.188CC..Hα-helixtrans-63.2-44.6172.9-70.8175.570170.80111.5V39 Q40 S46 R47 L64 L67 D68V39-K43 HydrophobicContact CG1-CD 4.29Å; V39-K43 WeakPolarHBondContact O-CG 3.42Å; V39-K43 PolarHBondContact O-N 2.9Å; Q40-K43 PolarHBondContact O-N 3.31Å; K43-S46 WeakPolarHBondContact O-CB 3.27Å; K43-S46 PolarHBondContact O-N 3.21Å; K43-R47 PolarHBondContact O-N 2.95Å; K43-L64 HydrophobicContact CB-CD2 3.65Å; K43-L64 HydrophobicContact CG-CD2 3.79Å; K43-L67 HydrophobicContact CB-CD1 4.45Å; K43-L67 HydrophobicContact CD-CB 4.48Å; K43-L67 HydrophobicContact CG-CB 3.98Å; K43-L67 HydrophobicContact CG-CD1 3.69Å; K43-L67 HydrophobicContact CG-CG 4.49Å; K43-D68 WeakPolarHBondContact CE-OD1 3.4Å; K43-D68 IonicContact NZ-OD1 2.73Å; K43-D68 PolarHBondContact NZ-OD1 3.49Å; K43-D68 IonicContact NZ-OD2 2.63Å
44A98.8Very high98.6Very high1 Ų134 Ų341%0.00818%0.177CC..Hα-helixtrans-63.2-43.117600000111.8Q40 G41 S46 R47 G48 L216 E219 L220Q40-A44 PolarHBondContact O-N 3.38Å; Q40-A44 VanDerWaalsContact O-N 3.14Å; G41-A44 PolarHBondContact O-N 3.31Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.25Å; A44-R47 PolarHBondContact O-N 2.93Å; A44-G48 PolarHBondContact O-N 3.24Å; A44-L216 WeakPolarHBondContact O-CD2 3.23Å; A44-E219 HydrophobicContact CB-CB 3.74Å; A44-L220 HydrophobicContact CB-CD1 4.01Å; A44-L220 HydrophobicContact CB-CD2 3.55Å; A44-L220 HydrophobicContact CB-CG 3.54Å
45Y98.8Very high98.6Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-63.8-38.5178.5-162.6-106.5000112.5G41 S42 R47 G48 L49 L107 T109 G110 R111 L199 N207 V211 L216G41-Y45 WeakPolarHBondContact O-CB 3.42Å; G41-Y45 PolarHBondContact O-N 3.34Å; S42-Y45 PolarHBondContact O-N 2.76Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.41Å; Y45-G48 WeakPolarHBondContact O-CA 3.5Å; Y45-G48 PolarHBondContact O-N 2.84Å; Y45-L49 HydrophobicContact CD1-CD1 3.9Å; Y45-L49 HydrophobicContact CD1-CD2 4.47Å; Y45-L49 HydrophobicContact CD1-CG 4Å; Y45-L49 HydrophobicContact CE1-CD1 3.76Å; Y45-L49 HydrophobicContact CE1-CD2 3.72Å; Y45-L49 HydrophobicContact CE1-CG 3.74Å; Y45-L49 WeakPolarHBondContact O-CG 3.32Å; Y45-L49 PolarHBondContact O-N 2.99Å; Y45-L107 HydrophobicContact CD1-CD1 4.37Å; Y45-L107 VanDerWaalsContact CD1-O 3.23Å; Y45-L107 WeakPolarHBondContact CD1-O 3.17Å; Y45-L107 VanDerWaalsContact CE1-O 3.28Å; Y45-L107 WeakPolarHBondContact CE1-O 3.47Å; Y45-T109 WeakPolarHBondContact CE1-O 3.17Å; Y45-T109 PolarHBondContact OH-O 3.35Å; Y45-G110 PolarHBondContact OH-O 2.94Å; Y45-R111 HydrophobicContact CD1-CB 4.32Å; Y45-R111 HydrophobicContact CE1-CB 3.65Å; Y45-R111 HydrophobicContact CE1-CG 4.31Å; Y45-R111 HydrophobicContact CE2-CB 4.32Å; Y45-R111 HydrophobicContact CE2-CG 4.45Å; Y45-R111 PolarHBondContact OH-N 3.45Å; Y45-L199 HydrophobicContact CD2-CD1 4.22Å; Y45-L199 HydrophobicContact CD2-CD2 4.08Å; Y45-L199 HydrophobicContact CD2-CG 4.13Å; Y45-N207 PolarHBondContact OH-ND2 3.24Å; Y45-N207 VanDerWaalsContact OH-ND2 3.13Å; Y45-V211 HydrophobicContact CE2-CG2 4.38Å; Y45-L216 HydrophobicContact CD2-CD1 4.29Å; Y45-L216 HydrophobicContact CD2-CD2 4.29Å
46S98.7Very high98.6Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-55.9-43.8173.2-173.20000112.2S42 K43 A44 L49 E50 M60S42-S46 PolarHBondContact O-N 2.85Å; K43-S46 WeakPolarHBondContact O-CB 3.27Å; K43-S46 PolarHBondContact O-N 3.21Å; A44-S46 VanDerWaalsContact C-N 3.34Å; A44-S46 PolarHBondContact O-N 3.25Å; S46-L49 PolarHBondContact O-N 3.34Å; S46-E50 PolarHBondContact O-N 3.32Å; S46-M60 WeakPolarHBondContact OG-CG 3.4Å
47R98.7Very high98.6Very high77 Ų7735.7 Ų35.729%0.29119%0.192SC..Hα-helixtrans-66.3-37.2174.1-67.7179.2-176.9110.17.8112.7K43 A44 Y45 L49 E50 K51 M60 E219K43-R47 PolarHBondContact O-N 2.95Å; A44-R47 PolarHBondContact O-N 2.93Å; Y45-R47 VanDerWaalsContact C-N 3.31Å; Y45-R47 PolarHBondContact O-N 3.41Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.67Å; R47-E50 PolarHBondContact O-N 2.92Å; R47-K51 PolarHBondContact O-N 2.88Å; R47-M60 HydrophobicContact CB-SD 4.3Å; R47-M60 HydrophobicContact CG-SD 3.75Å; R47-E219 WeakPolarHBondContact CD-OE1 3.24Å; R47-E219 WeakPolarHBondContact CD-OE2 3.29Å; R47-E219 IonicContact CZ-OE2 2.69Å; R47-E219 IonicContact NE-OE2 3.44Å; R47-E219 IonicContact NH1-OE2 2.73Å; R47-E219 PolarHBondContact NH1-OE2 2.93Å
48G98.6Very high98.6Very high0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-59-43.1172.700000112.8A44 Y45 A52A44-G48 PolarHBondContact O-N 3.24Å; Y45-G48 WeakPolarHBondContact O-CA 3.5Å; Y45-G48 PolarHBondContact O-N 2.84Å; G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.27Å; G48-A52 VanDerWaalsContact O-N 3.11Å
49L98.7Very high98.6Very high1 Ų141 Ų411%0.00523%0.229CC..Hα-helixtrans-67.8-39.9177.3-66.9177.2000112.6Y45 S46 R47 A52 G53 L54 L55 T109 V211Y45-L49 HydrophobicContact CD1-CD1 3.9Å; Y45-L49 HydrophobicContact CD1-CD2 4.47Å; Y45-L49 HydrophobicContact CD1-CG 4Å; Y45-L49 HydrophobicContact CE1-CD1 3.76Å; Y45-L49 HydrophobicContact CE1-CD2 3.72Å; Y45-L49 HydrophobicContact CE1-CG 3.74Å; Y45-L49 WeakPolarHBondContact O-CG 3.32Å; Y45-L49 PolarHBondContact O-N 2.99Å; S46-L49 PolarHBondContact O-N 3.34Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.67Å; L49-A52 PolarHBondContact O-N 2.91Å; L49-G53 PolarHBondContact O-N 3.12Å; L49-L54 HydrophobicContact CB-CB 4.26Å; L49-L54 HydrophobicContact CD2-CB 4.27Å; L49-L54 HydrophobicContact CD2-CD1 3.56Å; L49-L54 WeakPolarHBondContact O-CB 3.38Å; L49-L54 PolarHBondContact O-N 3.3Å; L49-L55 HydrophobicContact CB-CD1 3.69Å; L49-L55 HydrophobicContact CB-CG 3.8Å; L49-L55 HydrophobicContact CD1-CD1 4.02Å; L49-L55 HydrophobicContact CD1-CG 4.36Å; L49-L55 PolarHBondContact O-N 2.8Å; L49-T109 WeakPolarHBondContact CD2-O 3.36Å; L49-V211 HydrophobicContact CD2-CG1 4.07Å
50E98.6Very high98.6Very high65 Ų6541.4 Ų41.430%0.30423%0.23SC..Hα-helixtrans-62.4-48.6176.1-170.7-84.2168.400111.3S46 R47 A52 G53 L55 M60S46-E50 PolarHBondContact O-N 3.32Å; R47-E50 PolarHBondContact O-N 2.92Å; E50-A52 PolarHBondContact O-N 2.69Å; E50-G53 WeakPolarHBondContact O-CA 3.48Å; E50-G53 PolarHBondContact O-N 3.38Å; E50-L55 HydrophobicContact CB-CB 4.28Å; E50-M60 HydrophobicContact CB-CB 3.96Å; E50-M60 HydrophobicContact CB-CG 3.98Å; E50-M60 HydrophobicContact CB-SD 3.58Å; E50-M60 VanDerWaalsContact CB-SD 3.58Å; E50-M60 HydrophobicContact CG-CB 3.98Å; E50-M60 HydrophobicContact CG-CG 4.33Å; E50-M60 HydrophobicContact CG-SD 3.73Å
51K98Very high98.6Very high120 Ų12041.2 Ų41.252%0.52223%0.232SC..Hα-helixtrans-60.8-32.8176.5-175175.3179.2-174.70112.5R47 G53 D212 L215R47-K51 PolarHBondContact O-N 2.88Å; K51-G53 PolarHBondContact O-N 3.46Å; K51-D212 HydrophobicContact CD-CB 4.32Å; K51-D212 WeakPolarHBondContact CE-OD2 3.4Å; K51-D212 IonicContact NZ-OD2 3.57Å; K51-D212 PolarHBondContact NZ-OD2 3.32Å; K51-L215 HydrophobicContact CB-CD2 3.84Å; K51-L215 HydrophobicContact CD-CB 4.37Å; K51-L215 HydrophobicContact CD-CD2 3.53Å; K51-L215 HydrophobicContact CD-CG 4.42Å; K51-L215 HydrophobicContact CG-CD2 4.31Å
52A98.2Very high98.5Very high37 Ų3745.1 Ų45.131%0.30625%0.249SC..THydrogen-bonded Turntrans-77.9-0.9175.100000113.8G48 L49 E50 L54 V211G48-A52 WeakPolarHBondContact O-CB 3.32Å; G48-A52 PolarHBondContact O-N 3.27Å; G48-A52 VanDerWaalsContact O-N 3.11Å; L49-A52 PolarHBondContact O-N 2.91Å; E50-A52 PolarHBondContact O-N 2.69Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 HydrophobicContact CB-CD1 4.06Å; A52-L54 HydrophobicContact CB-CG 4.25Å; A52-L54 PolarHBondContact O-N 3.19Å; A52-V211 HydrophobicContact CB-CG1 4.16Å
53G98.2Very high98.5Very high65 Ų6545 Ų4567%0.6725%0.248SC*.THydrogen-bonded Turntrans7517.3-179.500000114.6L49 E50 K51L49-G53 PolarHBondContact O-N 3.12Å; E50-G53 WeakPolarHBondContact O-CA 3.48Å; E50-G53 PolarHBondContact O-N 3.38Å; K51-G53 PolarHBondContact O-N 3.46Å
54L98.3Very high98.5Very high51 Ų5143.3 Ų43.327%0.26724%0.242SC..SBendtrans-91.9-20-179.9-61.8167.1000112.5L49 A52 K106 T109 L209 V211L49-L54 HydrophobicContact CB-CB 4.26Å; L49-L54 HydrophobicContact CD2-CB 4.27Å; L49-L54 HydrophobicContact CD2-CD1 3.56Å; L49-L54 WeakPolarHBondContact O-CB 3.38Å; L49-L54 PolarHBondContact O-N 3.3Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 HydrophobicContact CB-CD1 4.06Å; A52-L54 HydrophobicContact CB-CG 4.25Å; A52-L54 PolarHBondContact O-N 3.19Å; L54-K106 VanDerWaalsContact O-CE 3.32Å; L54-K106 WeakPolarHBondContact O-CE 3.35Å; L54-K106 PolarHBondContact O-NZ 3.02Å; L54-T109 HydrophobicContact CD1-CG2 4.36Å; L54-L209 HydrophobicContact CD1-CB 3.79Å; L54-L209 HydrophobicContact CD1-CD1 3.73Å; L54-L209 HydrophobicContact CD1-CG 4.39Å; L54-L209 HydrophobicContact CD2-CD1 4.28Å; L54-V211 HydrophobicContact CD1-CG1 4.45Å
55L98.3Very high98.5Very high8 Ų848.8 Ų48.84%0.04227%0.267CS..SBendtrans-123.2144169.7-61.9176000109.3L49 E50 E59 M60 I63 K106L49-L55 HydrophobicContact CB-CD1 3.69Å; L49-L55 HydrophobicContact CB-CG 3.8Å; L49-L55 HydrophobicContact CD1-CD1 4.02Å; L49-L55 HydrophobicContact CD1-CG 4.36Å; L49-L55 PolarHBondContact O-N 2.8Å; E50-L55 HydrophobicContact CB-CB 4.28Å; L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 4.2Å; L55-M60 HydrophobicContact CD1-CB 4.5Å; L55-I63 HydrophobicContact CD1-CD1 3.78Å; L55-I63 HydrophobicContact CD2-CD1 4.12Å; L55-K106 HydrophobicContact CD2-CB 3.66Å; L55-K106 HydrophobicContact CD2-CD 3.9Å; L55-K106 HydrophobicContact CD2-CG 4.41Å
56T98.5Very high98.5Very high80 Ų8048.9 Ų48.949%0.49127%0.268SS..  trans-73.5159.4161.564.70000110.1A58 E59 M60T56-A58 PolarHBondContact O-N 2.68Å; T56-E59 PolarHBondContact N-OE2 2.82Å; T56-E59 PolarHBondContact O-N 2.86Å; T56-E59 VanDerWaalsContact O-N 3.08Å; T56-E59 VanDerWaalsContact OG1-CG 3.27Å; T56-E59 WeakPolarHBondContact OG1-CG 3.26Å; T56-E59 PolarHBondContact OG1-N 2.83Å; T56-E59 PolarHBondContact OG1-OE2 3.39Å; T56-M60 PolarHBondContact O-N 2.74Å
57K98.5Very high98.5Very high107 Ų10749 Ų4947%0.46527%0.268SS..Hα-helixtrans-52.6-40.4174.2-175.163.8175.868.20112.9M60 D61K57-M60 HydrophobicContact CD-CE 3.67Å; K57-M60 PolarHBondContact O-N 3.21Å; K57-D61 IonicContact NZ-OD1 2.73Å; K57-D61 PolarHBondContact NZ-OD1 3.26Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 3.24Å; K57-D61 WeakPolarHBondContact O-CB 3.22Å; K57-D61 PolarHBondContact O-N 3.07Å
58A98.4Very high98.5Very high71 Ų7148.9 Ų48.959%0.58727%0.273SS*.Hα-helixtrans-67.3-40.7178.500000112.5T56 D61 Q62T56-A58 PolarHBondContact O-N 2.68Å; A58-D61 PolarHBondContact O-N 2.95Å; A58-Q62 WeakPolarHBondContact O-CB 3.42Å; A58-Q62 PolarHBondContact O-N 3.32Å
59E98.6Very high98.5Very high45 Ų4553.4 Ų53.421%0.2129%0.293CS..Hα-helixtrans-66.9-40.9175.6-71.7172.1129.600111.7L55 T56 Q62 I63 T103 K106L55-E59 HydrophobicContact CB-CB 4.32Å; L55-E59 HydrophobicContact CD2-CB 4.2Å; T56-E59 PolarHBondContact N-OE2 2.82Å; T56-E59 PolarHBondContact O-N 2.86Å; T56-E59 VanDerWaalsContact O-N 3.08Å; T56-E59 VanDerWaalsContact OG1-CG 3.27Å; T56-E59 WeakPolarHBondContact OG1-CG 3.26Å; T56-E59 PolarHBondContact OG1-N 2.83Å; T56-E59 PolarHBondContact OG1-OE2 3.39Å; E59-Q62 PolarHBondContact O-N 3.07Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.05Å; E59-T103 HydrophobicContact CB-CG2 3.7Å; E59-T103 HydrophobicContact CG-CG2 3.84Å; E59-K106 WeakPolarHBondContact OE1-CD 3.36Å; E59-K106 IonicContact OE1-NZ 2.8Å; E59-K106 PolarHBondContact OE1-NZ 3.4Å; E59-K106 IonicContact OE2-NZ 2.65Å; E59-K106 PolarHBondContact OE2-NZ 2.87Å
60M98.6Very high98.5Very high13 Ų1353.3 Ų53.36%0.06429%0.293CS..Hα-helixtrans-59.6-48.7174.2-175.7-161.473.400110.8S46 R47 E50 L55 T56 K57 Q62 I63 L64S46-M60 WeakPolarHBondContact OG-CG 3.4Å; R47-M60 HydrophobicContact CB-SD 4.3Å; R47-M60 HydrophobicContact CG-SD 3.75Å; E50-M60 HydrophobicContact CB-CB 3.96Å; E50-M60 HydrophobicContact CB-CG 3.98Å; E50-M60 HydrophobicContact CB-SD 3.58Å; E50-M60 VanDerWaalsContact CB-SD 3.58Å; E50-M60 HydrophobicContact CG-CB 3.98Å; E50-M60 HydrophobicContact CG-CG 4.33Å; E50-M60 HydrophobicContact CG-SD 3.73Å; L55-M60 HydrophobicContact CD1-CB 4.5Å; T56-M60 PolarHBondContact O-N 2.74Å; K57-M60 HydrophobicContact CD-CE 3.67Å; K57-M60 PolarHBondContact O-N 3.21Å; M60-Q62 VanDerWaalsContact C-N 3.31Å; M60-Q62 PolarHBondContact O-N 3.08Å; M60-I63 PolarHBondContact O-N 3.06Å; M60-L64 HydrophobicContact CE-CD1 3.94Å; M60-L64 HydrophobicContact CG-CD1 4.06Å; M60-L64 HydrophobicContact CG-CG 4.36Å; M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.29Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.18Å; M60-L64 HydrophobicContact SD-CD1 4.37Å
61D98.6Very high98.5Very high69 Ų6951.3 Ų51.337%0.36929%0.287SS..Hα-helixtrans-62.5-38.2178.8-69.3-17.9000111.8K57 A58 L64 H65K57-D61 IonicContact NZ-OD1 2.73Å; K57-D61 PolarHBondContact NZ-OD1 3.26Å; K57-D61 IonicContact NZ-OD2 2.66Å; K57-D61 PolarHBondContact NZ-OD2 3.24Å; K57-D61 WeakPolarHBondContact O-CB 3.22Å; K57-D61 PolarHBondContact O-N 3.07Å; A58-D61 PolarHBondContact O-N 2.95Å; D61-L64 PolarHBondContact O-N 2.93Å; D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-N 3.39Å
62Q98.5Very high98.6Very high84 Ų8450.8 Ų50.839%0.39329%0.287SS..Hα-helixtrans-62.5-44.7174.6-170.7179.93000111.7A58 E59 M60 G66 I100 T103A58-Q62 WeakPolarHBondContact O-CB 3.42Å; A58-Q62 PolarHBondContact O-N 3.32Å; E59-Q62 PolarHBondContact O-N 3.07Å; M60-Q62 VanDerWaalsContact C-N 3.31Å; M60-Q62 PolarHBondContact O-N 3.08Å; Q62-G66 PolarHBondContact O-N 3.14Å; Q62-I100 HydrophobicContact CG-CB 4.06Å; Q62-I100 HydrophobicContact CG-CD1 4.49Å; Q62-I100 HydrophobicContact CG-CG2 4.2Å; Q62-T103 PolarHBondContact OE1-OG1 2.97Å
63I98.7Very high98.6Very high0 Ų050.4 Ų50.40%028%0.279CS..Hα-helixtrans-64.1-47175.8-72.3167.2000110.9L55 E59 M60 H65 G66 L67 L96 I100 T103 L107L55-I63 HydrophobicContact CD1-CD1 3.78Å; L55-I63 HydrophobicContact CD2-CD1 4.12Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.05Å; M60-I63 PolarHBondContact O-N 3.06Å; I63-H65 PolarHBondContact O-N 3.12Å; I63-G66 PolarHBondContact O-N 3.04Å; I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.05Å; I63-L67 PolarHBondContact O-N 3.49Å; I63-L96 HydrophobicContact CG2-CD2 4.4Å; I63-I100 HydrophobicContact CB-CD1 4.33Å; I63-I100 HydrophobicContact CG1-CD1 3.69Å; I63-T103 HydrophobicContact CD1-CG2 4.03Å; I63-T103 HydrophobicContact CG1-CG2 4Å; I63-L107 HydrophobicContact CD1-CB 4.39Å; I63-L107 HydrophobicContact CG2-CD1 4.14Å; I63-L107 HydrophobicContact CG2-CD2 4.22Å
64L98.8Very high98.6Very high16 Ų1649 Ų498%0.08425%0.253CS..Hα-helixtrans-59.9-47.1-179.4-71.3176000111.3K43 M60 D61 G66 L67 D68K43-L64 HydrophobicContact CB-CD2 3.65Å; K43-L64 HydrophobicContact CG-CD2 3.79Å; M60-L64 HydrophobicContact CE-CD1 3.94Å; M60-L64 HydrophobicContact CG-CD1 4.06Å; M60-L64 HydrophobicContact CG-CG 4.36Å; M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.29Å; M60-L64 WeakPolarHBondContact O-CG 3.3Å; M60-L64 PolarHBondContact O-N 3.18Å; M60-L64 HydrophobicContact SD-CD1 4.37Å; D61-L64 PolarHBondContact O-N 2.93Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.44Å; L64-D68 PolarHBondContact O-N 3.21Å
65H98.6Very high98.6Very high115 Ų11550.1 Ų50.153%0.53227%0.27SS..Hα-helixtrans-65-36.8176.8-168.5-42.1000111.8D61 I63 D68 K69D61-H65 WeakPolarHBondContact O-CB 3.45Å; D61-H65 PolarHBondContact O-N 3.39Å; I63-H65 PolarHBondContact O-N 3.12Å; H65-D68 PolarHBondContact O-N 3.4Å; H65-K69 WeakPolarHBondContact CE1-CE 3.5Å; H65-K69 PolarHBondContact O-N 2.92Å
66G98.7Very high98.6Very high2 Ų255.5 Ų55.52%0.02130%0.295CS..Hα-helixtrans-61.7-46174.100000112Q62 I63 L64 D68 K69 V70 L96Q62-G66 PolarHBondContact O-N 3.14Å; I63-G66 PolarHBondContact O-N 3.04Å; L64-G66 VanDerWaalsContact C-N 3.32Å; L64-G66 PolarHBondContact O-N 3.39Å; G66-D68 VanDerWaalsContact C-N 3.34Å; G66-D68 PolarHBondContact O-N 2.96Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 3.34Å; G66-V70 WeakPolarHBondContact O-CG2 3.45Å; G66-V70 PolarHBondContact O-N 3.09Å; G66-V70 VanDerWaalsContact O-N 3.08Å; G66-L96 VanDerWaalsContact C-CD1 3.49Å
67L98.8Very high98.5Very high3 Ų354.9 Ų54.92%0.01631%0.305CS..Hα-helixtrans-63.7-37.1177.7-75.1173.1000112.5V39 K43 I63 L64 K69 V70 A71 L96 L107V39-L67 HydrophobicContact CG1-CB 4.07Å; V39-L67 HydrophobicContact CG1-CD2 4.4Å; K43-L67 HydrophobicContact CB-CD1 4.45Å; K43-L67 HydrophobicContact CD-CB 4.48Å; K43-L67 HydrophobicContact CG-CB 3.98Å; K43-L67 HydrophobicContact CG-CD1 3.69Å; K43-L67 HydrophobicContact CG-CG 4.49Å; I63-L67 HydrophobicContact CG2-CD1 3.79Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.45Å; I63-L67 WeakPolarHBondContact O-CG 3.05Å; I63-L67 PolarHBondContact O-N 3.49Å; L64-L67 PolarHBondContact O-N 3.44Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; L67-V70 PolarHBondContact O-N 2.77Å; L67-A71 PolarHBondContact O-N 3.14Å; L67-L96 HydrophobicContact CD2-CD1 4.13Å; L67-L96 HydrophobicContact CD2-CD2 3.99Å; L67-L96 HydrophobicContact CG-CD1 3.99Å; L67-L96 HydrophobicContact CG-CD2 4.24Å; L67-L107 HydrophobicContact CD1-CD2 4.34Å
68D98.8Very high98.5Very high74 Ų7453.2 Ų53.240%0.39630%0.303SS..Hα-helixtrans-63.1-38.6175-73.1-23.9000112.2K43 L64 H65 G66 A71 E72K43-D68 WeakPolarHBondContact CE-OD1 3.4Å; K43-D68 IonicContact NZ-OD1 2.73Å; K43-D68 PolarHBondContact NZ-OD1 3.49Å; K43-D68 IonicContact NZ-OD2 2.63Å; L64-D68 PolarHBondContact O-N 3.21Å; H65-D68 PolarHBondContact O-N 3.4Å; G66-D68 VanDerWaalsContact C-N 3.34Å; G66-D68 PolarHBondContact O-N 2.96Å; D68-A71 PolarHBondContact O-N 3.14Å; D68-E72 PolarHBondContact O-N 3.45Å
69K98.7Very high98.5Very high95 Ų9550.6 Ų50.641%0.41328%0.279SS..Hα-helixtrans-66.1-39.8172.8-70.3-177.6-179.8-179.50112.3H65 G66 L67 A71 E72 E73 L99H65-K69 WeakPolarHBondContact CE1-CE 3.5Å; H65-K69 PolarHBondContact O-N 2.92Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 3.34Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 3.31Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.24Å; K69-E72 PolarHBondContact O-N 3.18Å; K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.23Å; K69-L99 HydrophobicContact CB-CD1 3.9Å
70V98.7Very high98.4Very high0 Ų056.3 Ų56.30%030%0.303CS..Hα-helixtrans-60.8-44.7175.2175.10000110.6V39 G66 L67 E73 W74 F79 R95 L96 L99V39-V70 HydrophobicContact CG2-CG1 4.19Å; G66-V70 WeakPolarHBondContact O-CG2 3.45Å; G66-V70 PolarHBondContact O-N 3.09Å; G66-V70 VanDerWaalsContact O-N 3.08Å; L67-V70 PolarHBondContact O-N 2.77Å; V70-E73 PolarHBondContact O-N 3.26Å; V70-W74 PolarHBondContact O-N 3.02Å; V70-W74 VanDerWaalsContact O-N 3.13Å; V70-F79 HydrophobicContact CG1-CD2 4.41Å; V70-F79 HydrophobicContact CG1-CE2 4.09Å; V70-R95 HydrophobicContact CG2-CB 4.17Å; V70-R95 HydrophobicContact CG2-CG 3.93Å; V70-L96 HydrophobicContact CG2-CB 4.48Å; V70-L99 HydrophobicContact CG2-CD1 3.7Å
71A98.7Very high98.3Very high23 Ų2358.8 Ų58.819%0.1932%0.316CS..Hα-helixtrans-62.4-41.7176.400000112.5W35 V39 L67 D68 K69 E73 W74 A75W35-A71 HydrophobicContact CZ3-CB 3.89Å; V39-A71 HydrophobicContact CG1-CB 4.09Å; L67-A71 PolarHBondContact O-N 3.14Å; D68-A71 PolarHBondContact O-N 3.14Å; K69-A71 VanDerWaalsContact C-N 3.33Å; K69-A71 PolarHBondContact O-N 3.24Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.29Å; A71-W74 PolarHBondContact O-N 2.98Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.28Å
72E98.7Very high98Very high108 Ų10858.6 Ų58.651%0.50532%0.315SS..Hα-helixtrans-60-43.3175.6-176.7176.9-152.500111.6D68 K69 W74 A75 Q76D68-E72 PolarHBondContact O-N 3.45Å; K69-E72 PolarHBondContact O-N 3.18Å; E72-W74 PolarHBondContact O-N 2.86Å; E72-A75 PolarHBondContact O-N 3.44Å; E72-Q76 HydrophobicContact CG-CG 4.39Å; E72-Q76 VanDerWaalsContact CG-NE2 3.28Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.28Å; E72-Q76 PolarHBondContact O-N 2.94Å; E72-Q76 PolarHBondContact OE1-NE2 2.97Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.07Å
73E98.7Very high97.5Very high30 Ų3060.1 Ų60.114%0.1434%0.335CS..Hα-helixtrans-62.9-40177.8-72.9179.9-163.100112.8K69 V70 A71 G77 T78 F79 R95K69-E73 WeakPolarHBondContact O-CG 3.49Å; K69-E73 PolarHBondContact O-N 3.23Å; V70-E73 PolarHBondContact O-N 3.26Å; A71-E73 VanDerWaalsContact C-N 3.33Å; A71-E73 PolarHBondContact O-N 3.29Å; E73-G77 PolarHBondContact O-N 3.47Å; E73-T78 VanDerWaalsContact CA-OG1 3.31Å; E73-T78 WeakPolarHBondContact CA-OG1 3.23Å; E73-T78 PolarHBondContact O-N 2.94Å; E73-T78 PolarHBondContact O-OG1 3.42Å; E73-F79 HydrophobicContact CB-CB 4.08Å; E73-F79 HydrophobicContact CB-CD2 4.37Å; E73-F79 PolarHBondContact O-N 3.17Å; E73-R95 VanDerWaalsContact CD-NE 3.34Å; E73-R95 IonicContact OE1-CZ 3.98Å; E73-R95 IonicContact OE1-NE 2.72Å; E73-R95 PolarHBondContact OE1-NE 2.96Å; E73-R95 VanDerWaalsContact OE1-NE 3.15Å; E73-R95 IonicContact OE1-NH2 3.64Å; E73-R95 PolarHBondContact OE1-NH2 3.43Å; E73-R95 IonicContact OE2-CZ 2.75Å; E73-R95 IonicContact OE2-NE 3.73Å; E73-R95 PolarHBondContact OE2-NE 2.93Å; E73-R95 IonicContact OE2-NH2 3.5Å
74W98.3Very high96.9Very high34 Ų3464.8 Ų64.813%0.12936%0.36CS..Hα-helixtrans-65-47.9174-84113.9000112R32 W35 V70 A71 E72 Q76 G77 F79 L81 I88 N92R32-W74 HydrophobicContact CB-CH2 4.44Å; W35-W74 HydrophobicContact CB-CD2 3.92Å; W35-W74 HydrophobicContact CB-CE3 4.5Å; W35-W74 HydrophobicContact CB-CG 4.05Å; W35-W74 HydrophobicContact CB-CZ2 4.4Å; W35-W74 HydrophobicContact CD2-CB 3.4Å; W35-W74 VanDerWaalsContact CD2-CB 3.4Å; W35-W74 HydrophobicContact CD2-CD2 4.17Å; W35-W74 AromaticContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CD2-CG 3.59Å; W35-W74 HydrophobicContact CE3-CB 3.37Å; W35-W74 AromaticContact CE3-CD1 3.73Å; W35-W74 AromaticContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CE3-CG 3.64Å; W35-W74 HydrophobicContact CG-CB 4.06Å; W35-W74 AromaticContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CD2 3.85Å; W35-W74 HydrophobicContact CG-CE3 4.22Å; W35-W74 AromaticContact CG-CG 3.78Å; W35-W74 HydrophobicContact CG-CG 3.78Å; W35-W74 HydrophobicContact CH2-CB 3.93Å; W35-W74 HydrophobicContact CZ2-CB 3.95Å; W35-W74 HydrophobicContact CZ3-CB 3.66Å; W35-W74 HydrophobicContact CZ3-CG 4.39Å; V70-W74 PolarHBondContact O-N 3.02Å; V70-W74 VanDerWaalsContact O-N 3.13Å; A71-W74 PolarHBondContact O-N 2.98Å; E72-W74 PolarHBondContact O-N 2.86Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 2.86Å; W74-G77 PolarHBondContact O-N 2.93Å; W74-G77 VanDerWaalsContact O-N 3.08Å; W74-F79 AromaticContact CD1-CD2 3.73Å; W74-F79 HydrophobicContact CD2-CB 3.9Å; W74-F79 HydrophobicContact CD2-CD1 4.29Å; W74-F79 HydrophobicContact CD2-CD2 4.14Å; W74-F79 AromaticContact CD2-CG 3.85Å; W74-F79 HydrophobicContact CD2-CG 3.85Å; W74-F79 AromaticContact CE2-CD1 3.73Å; W74-F79 AromaticContact CE2-CD2 3.64Å; W74-F79 AromaticContact CE2-CE2 3.89Å; W74-F79 AromaticContact CE2-CG 3.55Å; W74-F79 HydrophobicContact CE3-CB 4.13Å; W74-F79 HydrophobicContact CE3-CG 4.35Å; W74-F79 HydrophobicContact CG-CB 4.19Å; W74-F79 HydrophobicContact CG-CD2 4.18Å; W74-F79 HydrophobicContact CG-CG 4.27Å; W74-F79 AromaticContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CE1 4.11Å; W74-F79 HydrophobicContact CH2-CG 4.33Å; W74-F79 AromaticContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD1 3.45Å; W74-F79 VanDerWaalsContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD2 4.17Å; W74-F79 AromaticContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE2 4.18Å; W74-F79 AromaticContact CZ2-CG 3.82Å; W74-F79 HydrophobicContact CZ2-CG 3.82Å; W74-F79 AromaticContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ3-CD1 4.32Å; W74-F79 AromaticContact NE1-CD2 3.37Å; W74-F79 AromaticContact NE1-CE2 3.46Å; W74-F79 AromaticContact NE1-CG 3.81Å; W74-L81 HydrophobicContact CH2-CD1 3.89Å; W74-L81 HydrophobicContact CH2-CD2 4.35Å; W74-L81 HydrophobicContact CH2-CG 4.08Å; W74-L81 HydrophobicContact CZ3-CD1 4.17Å; W74-I88 HydrophobicContact CH2-CD1 4.02Å; W74-I88 HydrophobicContact CZ2-CD1 3.37Å; W74-N92 PolarHBondContact NE1-OD1 2.92Å
75A98.1Very high96.6Very high76 Ų7664.4 Ų64.463%0.62836%0.358SS*.Hα-helixtrans-62.4-33.2-178.900000112.7W35 A71 E72W35-A75 HydrophobicContact CH2-CB 4.24Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 3.28Å; E72-A75 PolarHBondContact O-N 3.44Å
76Q98.1Very high96.3Very high121 Ų12160.2 Ų60.257%0.56534%0.339SS*.THydrogen-bonded Turntrans-87.1-4.9177.5-66.2177.4600113.6E72 W74 T78E72-Q76 HydrophobicContact CG-CG 4.39Å; E72-Q76 VanDerWaalsContact CG-NE2 3.28Å; E72-Q76 WeakPolarHBondContact O-CB 3.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.28Å; E72-Q76 PolarHBondContact O-N 2.94Å; E72-Q76 PolarHBondContact OE1-NE2 2.97Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.07Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 2.86Å; Q76-T78 HydrophobicContact CB-CG2 4.01Å; Q76-T78 PolarHBondContact O-N 2.66Å
77G97.5Very high96.2Very high67 Ų6761 Ų6169%0.69134%0.342SS*.THydrogen-bonded Turntrans6719.9-174.300000113.9E73 W74E73-G77 PolarHBondContact O-N 3.47Å; W74-G77 PolarHBondContact O-N 2.93Å; W74-G77 VanDerWaalsContact O-N 3.08Å
78T98Very high96.2Very high71 Ų7160.8 Ų60.844%0.43634%0.341SS..  trans-93.8-11.6179.558.20000112.7E73 Q76 K80E73-T78 VanDerWaalsContact CA-OG1 3.31Å; E73-T78 WeakPolarHBondContact CA-OG1 3.23Å; E73-T78 PolarHBondContact O-N 2.94Å; E73-T78 PolarHBondContact O-OG1 3.42Å; Q76-T78 HydrophobicContact CB-CG2 4.01Å; Q76-T78 PolarHBondContact O-N 2.66Å; T78-K80 PolarHBondContact O-N 3.17Å
79F98.1Very high96.1Very high16 Ų1657.5 Ų57.57%0.0732%0.324CS..  trans-58.1122.6173.3-169.8-79.7000110.8V70 E73 W74 L81 A91 R95V70-F79 HydrophobicContact CG1-CD2 4.41Å; V70-F79 HydrophobicContact CG1-CE2 4.09Å; E73-F79 HydrophobicContact CB-CB 4.08Å; E73-F79 HydrophobicContact CB-CD2 4.37Å; E73-F79 PolarHBondContact O-N 3.17Å; W74-F79 AromaticContact CD1-CD2 3.73Å; W74-F79 HydrophobicContact CD2-CB 3.9Å; W74-F79 HydrophobicContact CD2-CD1 4.29Å; W74-F79 HydrophobicContact CD2-CD2 4.14Å; W74-F79 AromaticContact CD2-CG 3.85Å; W74-F79 HydrophobicContact CD2-CG 3.85Å; W74-F79 AromaticContact CE2-CD1 3.73Å; W74-F79 AromaticContact CE2-CD2 3.64Å; W74-F79 AromaticContact CE2-CE2 3.89Å; W74-F79 AromaticContact CE2-CG 3.55Å; W74-F79 HydrophobicContact CE3-CB 4.13Å; W74-F79 HydrophobicContact CE3-CG 4.35Å; W74-F79 HydrophobicContact CG-CB 4.19Å; W74-F79 HydrophobicContact CG-CD2 4.18Å; W74-F79 HydrophobicContact CG-CG 4.27Å; W74-F79 AromaticContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CD1 3.78Å; W74-F79 HydrophobicContact CH2-CE1 4.11Å; W74-F79 HydrophobicContact CH2-CG 4.33Å; W74-F79 AromaticContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD1 3.45Å; W74-F79 VanDerWaalsContact CZ2-CD1 3.45Å; W74-F79 HydrophobicContact CZ2-CD2 4.17Å; W74-F79 AromaticContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE1 3.51Å; W74-F79 HydrophobicContact CZ2-CE2 4.18Å; W74-F79 AromaticContact CZ2-CG 3.82Å; W74-F79 HydrophobicContact CZ2-CG 3.82Å; W74-F79 AromaticContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ2-CZ 3.89Å; W74-F79 HydrophobicContact CZ3-CD1 4.32Å; W74-F79 AromaticContact NE1-CD2 3.37Å; W74-F79 AromaticContact NE1-CE2 3.46Å; W74-F79 AromaticContact NE1-CG 3.81Å; F79-L81 HydrophobicContact CD1-CG 4.32Å; F79-L81 HydrophobicContact CE1-CG 4.34Å; F79-A91 HydrophobicContact CE1-CB 4.06Å; F79-A91 HydrophobicContact CZ-CB 3.88Å; F79-A91 WeakPolarHBondContact CZ-O 3.44Å; F79-R95 HydrophobicContact CD2-CB 4.42Å; F79-R95 HydrophobicContact CD2-CG 4.13Å; F79-R95 HydrophobicContact CE2-CB 3.44Å; F79-R95 VanDerWaalsContact CE2-CB 3.44Å; F79-R95 HydrophobicContact CE2-CG 3.62Å; F79-R95 HydrophobicContact CZ-CB 3.86Å; F79-R95 HydrophobicContact CZ-CG 4.39Å
80K96.9Very high96Very high166 Ų16653.5 Ų53.572%0.72231%0.307SS*.  trans-94.2104178.3-63.4-177.8-176.1177.50109.9T78 R94T78-K80 PolarHBondContact O-N 3.17Å; K80-R94 PolarHBondContact O-NH2 3.5Å
81L96Very high96Very high64 Ų6453.5 Ų53.534%0.33531%0.307SS..  trans-63134.8168.5-83.5128.1000110.7I28 W74 F79I28-L81 HydrophobicContact CD1-CD2 3.55Å; I28-L81 HydrophobicContact CG1-CD2 3.19Å; W74-L81 HydrophobicContact CH2-CD1 3.89Å; W74-L81 HydrophobicContact CH2-CD2 4.35Å; W74-L81 HydrophobicContact CH2-CG 4.08Å; W74-L81 HydrophobicContact CZ3-CD1 4.17Å; F79-L81 HydrophobicContact CD1-CG 4.32Å; F79-L81 HydrophobicContact CE1-CG 4.34Å
82N93Very high95.9Very high65 Ų6552.6 Ų52.635%0.34830%0.299SS..  trans-96.9149172.3-70.9-8.1000110.3N84 D85 R94N82-N84 PolarHBondContact O-N 3.43Å; N82-D85 PolarHBondContact N-OD2 3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 2.89Å; N82-R94 WeakPolarHBondContact ND2-CD 3.4Å; N82-R94 VanDerWaalsContact ND2-CZ 3.29Å; N82-R94 PolarHBondContact ND2-NE 2.87Å; N82-R94 PolarHBondContact ND2-NH1 3.42Å
83S88Confident95.9Very high117 Ų11748.9 Ų48.982%0.81828%0.282SS*.THydrogen-bonded Turntrans-59-19.2172.254.60000113.5
84N85.5Confident95.8Very high98 Ų9849.6 Ų49.652%0.52428%0.283SS..THydrogen-bonded Turntrans-97.7-0.7-177.1-53.8-1.4000112.1N82 E86N82-N84 PolarHBondContact O-N 3.43Å; N84-E86 PolarHBondContact O-N 3.1Å
85D93Very high95.8Very high7 Ų750.7 Ų50.74%0.03729%0.287CS..  trans-75.7105.6173-66.9-25.4000107.9I28 N82 A91 R94I28-D85 HydrophobicContact CG1-CB 4.49Å; I28-D85 WeakPolarHBondContact CG2-O 3.49Å; N82-D85 PolarHBondContact N-OD2 3Å; N82-D85 WeakPolarHBondContact O-CB 3.39Å; N82-D85 PolarHBondContact O-N 2.89Å; D85-A91 HydrophobicContact CB-CB 3.98Å; D85-R94 IonicContact OD1-NE 3.55Å; D85-R94 PolarHBondContact OD1-NE 2.8Å; D85-R94 IonicContact OD2-NE 3.88Å; D85-R94 IonicContact OD2-NH2 2.96Å
86E92.3Very high95.8Very high28 Ų2847.1 Ų47.113%0.13126%0.257CS..  trans-66.6-42.8179.6179.1-178.4156.400111.7W9 N25 A26 S27 I28 N84 K323W9-E86 VanDerWaalsContact CE2-OE2 3.31Å; W9-E86 VanDerWaalsContact CZ2-OE2 3.29Å; W9-E86 WeakPolarHBondContact CZ2-OE2 3.49Å; W9-E86 PolarHBondContact NE1-OE2 3.23Å; N25-E86 PolarHBondContact ND2-OE1 2.94Å; A26-E86 WeakPolarHBondContact CA-O 3.42Å; S27-E86 PolarHBondContact N-O 3.36Å; I28-E86 PolarHBondContact N-O 3.17Å; I28-E86 VanDerWaalsContact N-O 3.16Å; N84-E86 PolarHBondContact O-N 3.1Å; E86-K323 IonicContact OE1-NZ 3.32Å
87D96.9Very high95.8Very high17 Ų1747 Ų479%0.09126%0.255CS..SBendtrans-146.6167.4-173.265.16.7000110.6S27 D31 H89 T90 A91S27-D87 WeakPolarHBondContact OG-CB 3.37Å; D31-D87 VanDerWaalsContact OD2-CB 3.26Å; D31-D87 WeakPolarHBondContact OD2-CB 3.4Å; D87-H89 PolarHBondContact O-N 2.95Å; D87-H89 PolarHBondContact OD1-N 3.19Å; D87-H89 IonicContact OD1-ND1 3.25Å; D87-H89 IonicContact OD2-CE1 3.33Å; D87-H89 IonicContact OD2-CG 2.76Å; D87-H89 IonicContact OD2-ND1 3.03Å; D87-H89 PolarHBondContact OD2-ND1 3.18Å; D87-T90 PolarHBondContact O-N 3.36Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 3.34Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; D87-A91 PolarHBondContact O-N 2.64Å; D87-A91 VanDerWaalsContact O-N 3.12Å
88I98.1Very high95.8Very high0 Ų048.6 Ų48.60%024%0.244CC..Hα-helixtrans-57.8-35.3179.4-17653.7000112.8I28 D31 L34 W35 W74 T90 A91 N92I28-I88 HydrophobicContact CD1-CB 4.29Å; D31-I88 HydrophobicContact CB-CG2 4.19Å; D31-I88 WeakPolarHBondContact O-CG2 3.11Å; D31-I88 WeakPolarHBondContact OD1-CB 3.37Å; D31-I88 PolarHBondContact OD1-N 2.95Å; D31-I88 PolarHBondContact OD2-N 2.97Å; L34-I88 HydrophobicContact CB-CG2 4.27Å; W35-I88 HydrophobicContact CB-CD1 3.53Å; W35-I88 HydrophobicContact CB-CG1 3.94Å; W74-I88 HydrophobicContact CH2-CD1 4.02Å; W74-I88 HydrophobicContact CZ2-CD1 3.37Å; I88-T90 PolarHBondContact O-N 3.01Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 2.69Å; I88-N92 WeakPolarHBondContact O-CB 3.3Å; I88-N92 PolarHBondContact O-N 3.09Å
89H97.8Very high95.8Very high5 Ų547.8 Ų47.82%0.02324%0.237CC..Hα-helixtrans-67.2-40.5-177.4-37.698.3000111.5D38 D87 E93 R113 D120D38-H89 IonicContact OD1-CD2 2.87Å; D87-H89 PolarHBondContact O-N 2.95Å; D87-H89 PolarHBondContact OD1-N 3.19Å; D87-H89 IonicContact OD1-ND1 3.25Å; D87-H89 IonicContact OD2-CE1 3.33Å; D87-H89 IonicContact OD2-CG 2.76Å; D87-H89 IonicContact OD2-ND1 3.03Å; D87-H89 PolarHBondContact OD2-ND1 3.18Å; H89-E93 VanDerWaalsContact O-CB 3.27Å; H89-E93 WeakPolarHBondContact O-CB 3.3Å; H89-E93 PolarHBondContact O-N 3.37Å; H89-R113 VanDerWaalsContact C-NH2 3.26Å; H89-R113 PolarHBondContact O-NH2 3.25Å; H89-D120 IonicContact CD2-OD2 3.96Å; H89-D120 PolarHBondContact CD2-OD2 3.21Å; H89-D120 IonicContact NE2-OD2 3.49Å; H89-D120 PolarHBondContact NE2-OD2 3.24Å
90T96Very high95.8Very high11 Ų1148.2 Ų48.27%0.06724%0.24CC..Hα-helixtrans-65.3-42.9174.1-58.20000110.6L8 D87 I88 E93 R94L8-T90 HydrophobicContact CD1-CG2 4.48Å; L8-T90 WeakPolarHBondContact CD1-OG1 3.43Å; D87-T90 PolarHBondContact O-N 3.36Å; D87-T90 WeakPolarHBondContact OD1-CB 3.46Å; D87-T90 PolarHBondContact OD1-N 3.34Å; D87-T90 PolarHBondContact OD1-OG1 2.87Å; I88-T90 PolarHBondContact O-N 3.01Å; T90-E93 PolarHBondContact O-N 2.79Å; T90-R94 VanDerWaalsContact O-CB 3.23Å; T90-R94 WeakPolarHBondContact O-CB 3.39Å; T90-R94 PolarHBondContact O-N 3.26Å
91A97.8Very high95.7Very high0 Ų041.9 Ų41.90%022%0.222CC..Hα-helixtrans-58.9-50.8177.700000111.3I28 F79 D85 D87 I88 R94 R95I28-A91 HydrophobicContact CD1-CB 4.3Å; F79-A91 HydrophobicContact CE1-CB 4.06Å; F79-A91 HydrophobicContact CZ-CB 3.88Å; F79-A91 WeakPolarHBondContact CZ-O 3.44Å; D85-A91 HydrophobicContact CB-CB 3.98Å; D87-A91 PolarHBondContact O-N 2.64Å; D87-A91 VanDerWaalsContact O-N 3.12Å; I88-A91 WeakPolarHBondContact O-CB 3.42Å; I88-A91 PolarHBondContact O-N 2.69Å; A91-R94 PolarHBondContact O-N 3.28Å; A91-R95 WeakPolarHBondContact O-CB 3.48Å; A91-R95 PolarHBondContact O-N 3.48Å
92N98.3Very high95.6Very high4 Ų443.3 Ų43.32%0.02124%0.243CC..Hα-helixtrans-64.2-43.3-179.4-76.2-6.4000112.3D38 W74 I88 R95 L96D38-N92 WeakPolarHBondContact OD2-CB 3.39Å; D38-N92 PolarHBondContact OD2-ND2 3.16Å; W74-N92 PolarHBondContact NE1-OD1 2.92Å; I88-N92 WeakPolarHBondContact O-CB 3.3Å; I88-N92 PolarHBondContact O-N 3.09Å; N92-R95 PolarHBondContact O-N 3.04Å; N92-L96 WeakPolarHBondContact O-CB 3.23Å; N92-L96 PolarHBondContact O-N 3.41Å
93E96.8Very high95.8Very high29 Ų2941.2 Ų41.214%0.13623%0.233CC..Hα-helixtrans-68-40.8178.7-175.7165.5-153.700112.6L8 H89 T90 L96 K97 R113L8-E93 WeakPolarHBondContact CD2-OE2 3.44Å; H89-E93 VanDerWaalsContact O-CB 3.27Å; H89-E93 WeakPolarHBondContact O-CB 3.3Å; H89-E93 PolarHBondContact O-N 3.37Å; T90-E93 PolarHBondContact O-N 2.79Å; E93-L96 PolarHBondContact O-N 3.43Å; E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 PolarHBondContact O-N 2.98Å; E93-R113 IonicContact OE2-CZ 2.69Å; E93-R113 IonicContact OE2-NH1 3.08Å; E93-R113 IonicContact OE2-NH2 2.69Å; E93-R113 PolarHBondContact OE2-NH2 3.26Å
94R97Very high96.3Very high45 Ų4535.7 Ų35.717%0.1719%0.194CC..Hα-helixtrans-57.4-51.5172.1176.3-162.760.792.3-1.9109.9K80 N82 D85 T90 A91 L96 K97 E98K80-R94 PolarHBondContact O-NH2 3.5Å; N82-R94 WeakPolarHBondContact ND2-CD 3.4Å; N82-R94 VanDerWaalsContact ND2-CZ 3.29Å; N82-R94 PolarHBondContact ND2-NE 2.87Å; N82-R94 PolarHBondContact ND2-NH1 3.42Å; D85-R94 IonicContact OD1-NE 3.55Å; D85-R94 PolarHBondContact OD1-NE 2.8Å; D85-R94 IonicContact OD2-NE 3.88Å; D85-R94 IonicContact OD2-NH2 2.96Å; T90-R94 VanDerWaalsContact O-CB 3.23Å; T90-R94 WeakPolarHBondContact O-CB 3.39Å; T90-R94 PolarHBondContact O-N 3.26Å; A91-R94 PolarHBondContact O-N 3.28Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 2.89Å; R94-K97 WeakPolarHBondContact O-CB 3.4Å; R94-K97 PolarHBondContact O-N 3.23Å; R94-K97 VanDerWaalsContact O-N 3.13Å; R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NH1-OE1 3.53Å; R94-E98 PolarHBondContact NH1-OE1 2.94Å; R94-E98 IonicContact NH1-OE2 3.89Å; R94-E98 PolarHBondContact NH1-OE2 2.74Å; R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.62Å
95R98Very high96.8Very high57 Ų5733.7 Ų33.722%0.21520%0.196CC..Hα-helixtrans-64.5-39.6-176.8-17263.3-172.7142.64.3111.5V70 E73 F79 A91 N92 K97 E98 L99V70-R95 HydrophobicContact CG2-CB 4.17Å; V70-R95 HydrophobicContact CG2-CG 3.93Å; E73-R95 VanDerWaalsContact CD-NE 3.34Å; E73-R95 IonicContact OE1-CZ 3.98Å; E73-R95 IonicContact OE1-NE 2.72Å; E73-R95 PolarHBondContact OE1-NE 2.96Å; E73-R95 VanDerWaalsContact OE1-NE 3.15Å; E73-R95 IonicContact OE1-NH2 3.64Å; E73-R95 PolarHBondContact OE1-NH2 3.43Å; E73-R95 IonicContact OE2-CZ 2.75Å; E73-R95 IonicContact OE2-NE 3.73Å; E73-R95 PolarHBondContact OE2-NE 2.93Å; E73-R95 IonicContact OE2-NH2 3.5Å; F79-R95 HydrophobicContact CD2-CB 4.42Å; F79-R95 HydrophobicContact CD2-CG 4.13Å; F79-R95 HydrophobicContact CE2-CB 3.44Å; F79-R95 VanDerWaalsContact CE2-CB 3.44Å; F79-R95 HydrophobicContact CE2-CG 3.62Å; F79-R95 HydrophobicContact CZ-CB 3.86Å; F79-R95 HydrophobicContact CZ-CG 4.39Å; A91-R95 WeakPolarHBondContact O-CB 3.48Å; A91-R95 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.04Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 3.4Å; R95-E98 WeakPolarHBondContact CD-OE2 3.47Å; R95-E98 IonicContact CZ-OE2 2.63Å; R95-E98 IonicContact NH1-OE2 3.67Å; R95-E98 PolarHBondContact NH1-OE2 3.13Å; R95-E98 PolarHBondContact O-N 3.47Å; R95-L99 HydrophobicContact CG-CD1 4.27Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.21Å; R95-L99 VanDerWaalsContact O-N 3.12Å
96L98.4Very high97Very high1 Ų136.2 Ų36.21%0.00521%0.207CC..Hα-helixtrans-57.2-46.9172.5-175.266.2000111.1I63 G66 L67 V70 N92 E93 R94 E98 L99 I100 A104 L107I63-L96 HydrophobicContact CG2-CD2 4.4Å; G66-L96 VanDerWaalsContact C-CD1 3.49Å; L67-L96 HydrophobicContact CD2-CD1 4.13Å; L67-L96 HydrophobicContact CD2-CD2 3.99Å; L67-L96 HydrophobicContact CG-CD1 3.99Å; L67-L96 HydrophobicContact CG-CD2 4.24Å; V70-L96 HydrophobicContact CG2-CB 4.48Å; N92-L96 WeakPolarHBondContact O-CB 3.23Å; N92-L96 PolarHBondContact O-N 3.41Å; E93-L96 PolarHBondContact O-N 3.43Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 2.89Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-I100 HydrophobicContact CD1-CD1 3.86Å; L96-I100 HydrophobicContact CD1-CG1 4.32Å; L96-I100 HydrophobicContact CD2-CD1 4.43Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 3.08Å; L96-A104 HydrophobicContact CB-CB 4.44Å; L96-A104 HydrophobicContact CD2-CB 4.14Å; L96-A104 HydrophobicContact CG-CB 3.92Å; L96-L107 HydrophobicContact CD2-CD2 3.53Å
97K97.7Very high97.3Very high119 Ų11935.1 Ų35.152%0.51720%0.202SC..Hα-helixtrans-59.4-40.7177.1-173.9-176.5177.1-171.70112.5E93 R94 R95 L99 G101 A104E93-K97 WeakPolarHBondContact O-CB 3.39Å; E93-K97 PolarHBondContact O-N 2.98Å; R94-K97 WeakPolarHBondContact O-CB 3.4Å; R94-K97 PolarHBondContact O-N 3.23Å; R94-K97 VanDerWaalsContact O-N 3.13Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-K97 PolarHBondContact O-N 3.4Å; K97-L99 PolarHBondContact O-N 2.85Å; K97-G101 VanDerWaalsContact O-CA 3.22Å; K97-G101 WeakPolarHBondContact O-CA 3.16Å; K97-G101 PolarHBondContact O-N 3.38Å; K97-A104 VanDerWaalsContact CA-CB 3.47Å; K97-A104 HydrophobicContact CB-CB 3.91Å; K97-A104 HydrophobicContact CG-CB 4.46Å
98E97.8Very high97.2Very high100 Ų10036.3 Ų36.347%0.46721%0.207SC..Hα-helixtrans-64.1-30.4175.6-69.7170.6-176.600112.8R94 R95 L96R94-E98 IonicContact CZ-OE1 2.81Å; R94-E98 IonicContact NH1-OE1 3.53Å; R94-E98 PolarHBondContact NH1-OE1 2.94Å; R94-E98 IonicContact NH1-OE2 3.89Å; R94-E98 PolarHBondContact NH1-OE2 2.74Å; R94-E98 WeakPolarHBondContact O-CG 3.43Å; R94-E98 PolarHBondContact O-N 2.62Å; R95-E98 WeakPolarHBondContact CD-OE2 3.47Å; R95-E98 IonicContact CZ-OE2 2.63Å; R95-E98 IonicContact NH1-OE2 3.67Å; R95-E98 PolarHBondContact NH1-OE2 3.13Å; R95-E98 PolarHBondContact O-N 3.47Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-E98 PolarHBondContact O-N 3.47Å
99L98.1Very high97.2Very high54 Ų5438.8 Ų38.828%0.28322%0.222SC..Hα-helixtrans-85.3-36.6-177.8-69.4171.8000113.8K69 V70 R95 L96 K97K69-L99 HydrophobicContact CB-CD1 3.9Å; V70-L99 HydrophobicContact CG2-CD1 3.7Å; R95-L99 HydrophobicContact CG-CD1 4.27Å; R95-L99 WeakPolarHBondContact O-CG 3.35Å; R95-L99 PolarHBondContact O-N 3.21Å; R95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 PolarHBondContact O-N 3.46Å; K97-L99 PolarHBondContact O-N 2.85Å
100I98Very high97.1Very high25 Ų2539.7 Ų39.713%0.12823%0.233CC..Hα-helixtrans-123.2-3.8-172.275.5175.9000114.6Q62 I63 L96 A104Q62-I100 HydrophobicContact CG-CB 4.06Å; Q62-I100 HydrophobicContact CG-CD1 4.49Å; Q62-I100 HydrophobicContact CG-CG2 4.2Å; I63-I100 HydrophobicContact CB-CD1 4.33Å; I63-I100 HydrophobicContact CG1-CD1 3.69Å; L96-I100 HydrophobicContact CD1-CD1 3.86Å; L96-I100 HydrophobicContact CD1-CG1 4.32Å; L96-I100 HydrophobicContact CD2-CD1 4.43Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.26Å; L96-I100 PolarHBondContact O-N 3.08Å; I100-A104 HydrophobicContact CD1-CB 4.02Å; I100-A104 HydrophobicContact CG1-CB 3.8Å
101G96Very high97.2Very high34 Ų3440.1 Ų40.135%0.35123%0.233SC..G310 helixtrans70.5-134.5178.600000113.3K97 T103 A104K97-G101 VanDerWaalsContact O-CA 3.22Å; K97-G101 WeakPolarHBondContact O-CA 3.16Å; K97-G101 PolarHBondContact O-N 3.38Å; G101-T103 VanDerWaalsContact C-N 3.34Å; G101-T103 PolarHBondContact O-N 3.23Å; G101-A104 WeakPolarHBondContact O-CB 3.4Å; G101-A104 PolarHBondContact O-N 3.06Å
102A94Very high97.2Very high93 Ų9341 Ų4177%0.76924%0.239SC*.G310 helixtrans-62.4-35.2-166.100000114A104 G105A102-A104 PolarHBondContact O-N 3.12Å; A102-A104 VanDerWaalsContact O-N 3.14Å; A102-G105 PolarHBondContact O-N 3.25Å
103T97Very high97.1Very high21 Ų2142.9 Ų42.913%0.12925%0.246CC..G310 helixtrans-58.8-28.6-178.9-42.80000112.3E59 Q62 I63 G101 G105 K106E59-T103 HydrophobicContact CB-CG2 3.7Å; E59-T103 HydrophobicContact CG-CG2 3.84Å; Q62-T103 PolarHBondContact OE1-OG1 2.97Å; I63-T103 HydrophobicContact CD1-CG2 4.03Å; I63-T103 HydrophobicContact CG1-CG2 4Å; G101-T103 VanDerWaalsContact C-N 3.34Å; G101-T103 PolarHBondContact O-N 3.23Å; T103-G105 PolarHBondContact O-N 3.42Å; T103-K106 WeakPolarHBondContact O-CB 3.27Å; T103-K106 PolarHBondContact O-N 2.98Å
104A97.4Very high97.2Very high1 Ų142.8 Ų42.81%0.00825%0.247CC..G310 helixtrans-57.7-36.5175.700000112.6L96 K97 I100 G101 A102 K106 L107L96-A104 HydrophobicContact CB-CB 4.44Å; L96-A104 HydrophobicContact CD2-CB 4.14Å; L96-A104 HydrophobicContact CG-CB 3.92Å; K97-A104 VanDerWaalsContact CA-CB 3.47Å; K97-A104 HydrophobicContact CB-CB 3.91Å; K97-A104 HydrophobicContact CG-CB 4.46Å; I100-A104 HydrophobicContact CD1-CB 4.02Å; I100-A104 HydrophobicContact CG1-CB 3.8Å; G101-A104 WeakPolarHBondContact O-CB 3.4Å; G101-A104 PolarHBondContact O-N 3.06Å; A102-A104 PolarHBondContact O-N 3.12Å; A102-A104 VanDerWaalsContact O-N 3.14Å; A104-K106 PolarHBondContact O-N 3.33Å; A104-K106 VanDerWaalsContact O-N 3.14Å; A104-L107 WeakPolarHBondContact O-CB 3.42Å; A104-L107 PolarHBondContact O-N 2.75Å; A104-L107 VanDerWaalsContact O-N 3.12Å
105G95.6Very high97.3Very high56 Ų5640.7 Ų40.758%0.57724%0.239SC*.G310 helixtrans-67-11.8178.900000114.2A102 T103A102-G105 PolarHBondContact O-N 3.25Å; T103-G105 PolarHBondContact O-N 3.42Å
106K98Very high97.3Very high61 Ų6138 Ų3827%0.26523%0.229SC..G310 helixtrans-83.1-22.7174.6-59.6-175.771.4-175.60112.5L54 L55 E59 T103 A104 H108 T109L54-K106 VanDerWaalsContact O-CE 3.32Å; L54-K106 WeakPolarHBondContact O-CE 3.35Å; L54-K106 PolarHBondContact O-NZ 3.02Å; L55-K106 HydrophobicContact CD2-CB 3.66Å; L55-K106 HydrophobicContact CD2-CD 3.9Å; L55-K106 HydrophobicContact CD2-CG 4.41Å; E59-K106 WeakPolarHBondContact OE1-CD 3.36Å; E59-K106 IonicContact OE1-NZ 2.8Å; E59-K106 PolarHBondContact OE1-NZ 3.4Å; E59-K106 IonicContact OE2-NZ 2.65Å; E59-K106 PolarHBondContact OE2-NZ 2.87Å; T103-K106 WeakPolarHBondContact O-CB 3.27Å; T103-K106 PolarHBondContact O-N 2.98Å; A104-K106 PolarHBondContact O-N 3.33Å; A104-K106 VanDerWaalsContact O-N 3.14Å; K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.03Å; K106-T109 WeakPolarHBondContact O-CB 3.38Å; K106-T109 PolarHBondContact O-N 2.72Å; K106-T109 PolarHBondContact O-OG1 2.78Å
107L97.9Very high97.3Very high4 Ų438.6 Ų38.62%0.02123%0.232CC..THydrogen-bonded Turntrans-61.9-33-173.8178.159000113Y45 I63 L67 L96 A104 T109Y45-L107 HydrophobicContact CD1-CD1 4.37Å; Y45-L107 VanDerWaalsContact CD1-O 3.23Å; Y45-L107 WeakPolarHBondContact CD1-O 3.17Å; Y45-L107 VanDerWaalsContact CE1-O 3.28Å; Y45-L107 WeakPolarHBondContact CE1-O 3.47Å; I63-L107 HydrophobicContact CD1-CB 4.39Å; I63-L107 HydrophobicContact CG2-CD1 4.14Å; I63-L107 HydrophobicContact CG2-CD2 4.22Å; L67-L107 HydrophobicContact CD1-CD2 4.34Å; L96-L107 HydrophobicContact CD2-CD2 3.53Å; A104-L107 WeakPolarHBondContact O-CB 3.42Å; A104-L107 PolarHBondContact O-N 2.75Å; A104-L107 VanDerWaalsContact O-N 3.12Å; L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.81Å
108H96.2Very high97.3Very high43 Ų4332.9 Ų32.920%0.19921%0.207CC..THydrogen-bonded Turntrans-83.33.4179.6-146.688.1000113.9K106 G110 R111 R113 Q116K106-H108 VanDerWaalsContact C-N 3.28Å; K106-H108 PolarHBondContact O-N 3.03Å; H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.16Å; H108-R111 PolarHBondContact CD2-O 3.08Å; H108-R111 VanDerWaalsContact CD2-O 3.26Å; H108-R111 PolarHBondContact NE2-O 3.45Å; H108-R111 PolarHBondContact O-N 3.25Å; H108-R113 PolarHBondContact CE1-NH1 2.63Å; H108-R113 PolarHBondContact ND1-NH1 3.36Å; H108-Q116 PolarHBondContact CE1-OE1 2.88Å
109T97.8Very high97.4Very high52 Ų5228.2 Ų28.232%0.31919%0.185SC..THydrogen-bonded Turntrans-61119.5-176.7-69.30000111Y45 L49 L54 K106 L107 R111 L209Y45-T109 WeakPolarHBondContact CE1-O 3.17Å; Y45-T109 PolarHBondContact OH-O 3.35Å; L49-T109 WeakPolarHBondContact CD2-O 3.36Å; L54-T109 HydrophobicContact CD1-CG2 4.36Å; K106-T109 WeakPolarHBondContact O-CB 3.38Å; K106-T109 PolarHBondContact O-N 2.72Å; K106-T109 PolarHBondContact O-OG1 2.78Å; L107-T109 VanDerWaalsContact C-N 3.25Å; L107-T109 PolarHBondContact O-N 2.81Å; T109-R111 PolarHBondContact O-N 3.2Å; T109-L209 HydrophobicContact CG2-CD1 3.35Å
110G96.4Very high97.4Very high23 Ų2325.7 Ų25.724%0.23717%0.172CC..THydrogen-bonded Turntrans730.2-177.800000115.8Y45 H108 N207Y45-G110 PolarHBondContact OH-O 2.94Å; H108-G110 PolarHBondContact O-N 3.18Å; H108-G110 VanDerWaalsContact O-N 3.16Å; G110-N207 PolarHBondContact O-ND2 3.45Å
111R97.7Very high97.5Very high20 Ų2024.5 Ų24.58%0.07517%0.166CC..  trans-94.3154.3176.6-163.5162.865.1167.8-0.1110.2S42 Y45 H108 T109 Q116 L199S42-R111 PolarHBondContact OG-NH1 3.32Å; S42-R111 PolarHBondContact OG-NH2 3.06Å; Y45-R111 HydrophobicContact CD1-CB 4.32Å; Y45-R111 HydrophobicContact CE1-CB 3.65Å; Y45-R111 HydrophobicContact CE1-CG 4.31Å; Y45-R111 HydrophobicContact CE2-CB 4.32Å; Y45-R111 HydrophobicContact CE2-CG 4.45Å; Y45-R111 PolarHBondContact OH-N 3.45Å; H108-R111 PolarHBondContact CD2-O 3.08Å; H108-R111 VanDerWaalsContact CD2-O 3.26Å; H108-R111 PolarHBondContact NE2-O 3.45Å; H108-R111 PolarHBondContact O-N 3.25Å; T109-R111 PolarHBondContact O-N 3.2Å; R111-Q116 HydrophobicContact CG-CB 4.46Å; R111-L199 HydrophobicContact CG-CD1 4.39Å
112S97.4Very high97.6Very high19 Ų1923.5 Ų23.513%0.13315%0.152CC..  trans-121.2158.4168.3-176.70000110.1N114 D115 Q116 G202 A203S112-N114 PolarHBondContact O-N 3.19Å; S112-N114 PolarHBondContact OG-N 3.06Å; S112-D115 PolarHBondContact N-OD1 3.06Å; S112-Q116 WeakPolarHBondContact O-CB 3.22Å; S112-Q116 PolarHBondContact O-N 3.46Å; S112-G202 WeakPolarHBondContact CB-O 3.43Å; S112-A203 VanDerWaalsContact CB-CA 3.49Å; S112-A203 VanDerWaalsContact CB-N 3.31Å; S112-A203 WeakPolarHBondContact OG-CA 3.49Å
113R96.6Very high97.8Very high44 Ų4419.1 Ų19.117%0.16612%0.116CC..Hα-helixtrans-62.9-26.4165.3-67.7-54.7-167.9-145.60.7112.3H89 E93 H108 V117H89-R113 VanDerWaalsContact C-NH2 3.26Å; H89-R113 PolarHBondContact O-NH2 3.25Å; E93-R113 IonicContact OE2-CZ 2.69Å; E93-R113 IonicContact OE2-NH1 3.08Å; E93-R113 IonicContact OE2-NH2 2.69Å; E93-R113 PolarHBondContact OE2-NH2 3.26Å; H108-R113 PolarHBondContact CE1-NH1 2.63Å; H108-R113 PolarHBondContact ND1-NH1 3.36Å; R113-V117 WeakPolarHBondContact O-CB 3.4Å; R113-V117 VanDerWaalsContact O-CG1 3.24Å; R113-V117 WeakPolarHBondContact O-CG1 3.47Å; R113-V117 PolarHBondContact O-N 2.95Å
114N97.9Very high97.9Very high27 Ų2719.8 Ų19.814%0.14412%0.116CC..Hα-helixtrans-65.3-48.7-177.8-64.9-0.6000112.4S112 V118 A203 T233 Y321S112-N114 PolarHBondContact O-N 3.19Å; S112-N114 PolarHBondContact OG-N 3.06Å; N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.34Å; N114-A203 PolarHBondContact ND2-O 2.94Å; N114-T233 HydrophobicContact CB-CG2 4.04Å; N114-Y321 HydrophobicContact CB-CD2 4.37Å; N114-Y321 HydrophobicContact CB-CG 4.45Å; N114-Y321 WeakPolarHBondContact ND2-CB 3.47Å
115D98.5Very high98Very high0 Ų019.8 Ų19.80%012%0.116CC..Hα-helixtrans-81.4-28.3177.869.4-37.6000112.6S112 T119 G200 S201 G202 T233S112-D115 PolarHBondContact N-OD1 3.06Å; D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.39Å; D115-T119 VanDerWaalsContact O-N 3.09Å; D115-T119 PolarHBondContact O-OG1 2.95Å; D115-G200 PolarHBondContact OD2-N 2.93Å; D115-S201 PolarHBondContact OD2-N 3.41Å; D115-S201 VanDerWaalsContact OD2-N 3.12Å; D115-G202 WeakPolarHBondContact CB-O 3.47Å; D115-G202 VanDerWaalsContact CG-N 3.3Å; D115-G202 PolarHBondContact OD2-N 3.34Å; D115-T233 HydrophobicContact CB-CG2 4.06Å
116Q98.7Very high98.1Very high2 Ų219.7 Ų19.71%0.00910%0.098CC..Hα-helixtrans-62.5-54.1174.4-177.8174.77.200112.1D38 H108 R111 S112 V118 T119 D120D38-Q116 PolarHBondContact OD1-NE2 3.42Å; H108-Q116 PolarHBondContact CE1-OE1 2.88Å; R111-Q116 HydrophobicContact CG-CB 4.46Å; S112-Q116 WeakPolarHBondContact O-CB 3.22Å; S112-Q116 PolarHBondContact O-N 3.46Å; Q116-V118 VanDerWaalsContact C-N 3.25Å; Q116-V118 PolarHBondContact O-N 3.44Å; Q116-T119 WeakPolarHBondContact O-CA 3.49Å; Q116-T119 VanDerWaalsContact O-CB 3.23Å; Q116-T119 WeakPolarHBondContact O-CB 3.35Å; Q116-T119 PolarHBondContact O-N 2.98Å; Q116-D120 PolarHBondContact O-N 3.49Å
117V98.5Very high98.1Very high12 Ų1221.3 Ų21.37%0.07311%0.106CC..Hα-helixtrans-62.3-33.8-175.272.80000112.6R113 D120 L121R113-V117 WeakPolarHBondContact O-CB 3.4Å; R113-V117 VanDerWaalsContact O-CG1 3.24Å; R113-V117 WeakPolarHBondContact O-CG1 3.47Å; R113-V117 PolarHBondContact O-N 2.95Å; V117-D120 PolarHBondContact O-N 2.92Å; V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 PolarHBondContact O-N 2.94Å
118V98.7Very high98.2Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-72.9-34.6176.1-172.50000110.6N114 Q116 R122 P198 F238N114-V118 VanDerWaalsContact O-CG2 3.3Å; N114-V118 WeakPolarHBondContact O-CG2 3.34Å; Q116-V118 VanDerWaalsContact C-N 3.25Å; Q116-V118 PolarHBondContact O-N 3.44Å; V118-R122 HydrophobicContact CG1-CG 4.38Å; V118-R122 VanDerWaalsContact O-CB 3.3Å; V118-R122 WeakPolarHBondContact O-CB 3.5Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.41Å; V118-R122 PolarHBondContact O-N 2.77Å; V118-P198 HydrophobicContact CB-CB 4.43Å; V118-P198 HydrophobicContact CB-CG 4.03Å; V118-P198 HydrophobicContact CG1-CB 4.22Å; V118-P198 HydrophobicContact CG1-CG 3.88Å; V118-F238 HydrophobicContact CG1-CE1 4.08Å; V118-F238 HydrophobicContact CG1-CZ 4.16Å
119T98.9Very high98.3Very high1 Ų120 Ų201%0.00610%0.102CC..Hα-helixtrans-61.1-48.3172.3-56.50000110.5D115 Q116 R122 L123 L197 P198 L199 L220D115-T119 WeakPolarHBondContact O-CB 3.33Å; D115-T119 PolarHBondContact O-N 3.39Å; D115-T119 VanDerWaalsContact O-N 3.09Å; D115-T119 PolarHBondContact O-OG1 2.95Å; Q116-T119 WeakPolarHBondContact O-CA 3.49Å; Q116-T119 VanDerWaalsContact O-CB 3.23Å; Q116-T119 WeakPolarHBondContact O-CB 3.35Å; Q116-T119 PolarHBondContact O-N 2.98Å; T119-R122 PolarHBondContact O-N 3.46Å; T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CG 3.14Å; T119-L123 PolarHBondContact O-N 3.29Å; T119-L197 HydrophobicContact CG2-CD1 4.14Å; T119-P198 WeakPolarHBondContact OG1-CG 3.39Å; T119-L199 HydrophobicContact CG2-CB 4.02Å; T119-L199 HydrophobicContact CG2-CD2 4.47Å; T119-L199 WeakPolarHBondContact OG1-CA 3.45Å; T119-L199 VanDerWaalsContact OG1-CB 3.3Å; T119-L199 WeakPolarHBondContact OG1-CB 3.43Å; T119-L199 PolarHBondContact OG1-N 3.32Å; T119-L220 HydrophobicContact CG2-CD1 3.99Å
120D98.9Very high98.3Very high1 Ų120.2 Ų20.21%0.00511%0.105CC..Hα-helixtrans-65-46.4-177.8-61.7-21.3000110.7L34 V37 D38 H89 Q116 V117 R122 L123 W124L34-D120 HydrophobicContact CB-CB 4.49Å; L34-D120 HydrophobicContact CD1-CB 4.36Å; V37-D120 HydrophobicContact CG2-CB 3.98Å; V37-D120 WeakPolarHBondContact CG2-O 3.1Å; D38-D120 WeakPolarHBondContact CA-OD1 3.46Å; H89-D120 IonicContact CD2-OD2 3.96Å; H89-D120 PolarHBondContact CD2-OD2 3.21Å; H89-D120 IonicContact NE2-OD2 3.49Å; H89-D120 PolarHBondContact NE2-OD2 3.24Å; Q116-D120 PolarHBondContact O-N 3.49Å; V117-D120 PolarHBondContact O-N 2.92Å; D120-R122 PolarHBondContact O-N 2.62Å; D120-L123 PolarHBondContact O-N 3.33Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.91Å
121L98.9Very high98.4Very high0 Ų022.9 Ų22.90%012%0.117CC..Hα-helixtrans-63.1-42177.8-172.760.5000112V117 W124 M125 F238 V239 D328 K329 V332 F333V117-L121 WeakPolarHBondContact O-CB 3.37Å; V117-L121 PolarHBondContact O-N 2.94Å; L121-W124 PolarHBondContact O-N 3.32Å; L121-M125 HydrophobicContact CD1-CG 4.27Å; L121-M125 HydrophobicContact CD1-SD 4.33Å; L121-M125 HydrophobicContact CG-CG 4.42Å; L121-M125 HydrophobicContact CG-SD 4.09Å; L121-M125 WeakPolarHBondContact O-CB 3.24Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.45Å; L121-M125 PolarHBondContact O-N 2.96Å; L121-F238 HydrophobicContact CD2-CE2 4.02Å; L121-F238 HydrophobicContact CD2-CZ 3.97Å; L121-F238 HydrophobicContact CG-CE2 4.04Å; L121-F238 HydrophobicContact CG-CZ 4.33Å; L121-V239 HydrophobicContact CD2-CG2 4.01Å; L121-D328 HydrophobicContact CD2-CB 4.27Å; L121-D328 WeakPolarHBondContact CD2-OD2 3.4Å; L121-K329 HydrophobicContact CD1-CG 4.39Å; L121-V332 HydrophobicContact CD1-CB 4.48Å; L121-V332 HydrophobicContact CD1-CG1 4.31Å; L121-V332 HydrophobicContact CD1-CG2 4.49Å; L121-F333 HydrophobicContact CD1-CE1 4.37Å
122R98.9Very high98.5Very high13 Ų1322 Ų225%0.04911%0.113CC..Hα-helixtrans-67.1-39.7176.6-75176.7164.6-108.2-2112.2V118 T119 D120 R126 R193 I194 V196 F222 E235 F238V118-R122 HydrophobicContact CG1-CG 4.38Å; V118-R122 VanDerWaalsContact O-CB 3.3Å; V118-R122 WeakPolarHBondContact O-CB 3.5Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.41Å; V118-R122 PolarHBondContact O-N 2.77Å; T119-R122 PolarHBondContact O-N 3.46Å; D120-R122 PolarHBondContact O-N 2.62Å; R122-R126 VanDerWaalsContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CB 3.43Å; R122-R126 PolarHBondContact O-N 2.88Å; R122-R193 PolarHBondContact NH1-O 3.02Å; R122-I194 HydrophobicContact CB-CG2 4.41Å; R122-I194 PolarHBondContact NH1-O 2.84Å; R122-I194 WeakPolarHBondContact O-CG2 3.41Å; R122-V196 WeakPolarHBondContact CD-O 3.43Å; R122-V196 PolarHBondContact NH1-O 2.79Å; R122-V196 VanDerWaalsContact NH1-O 3.1Å; R122-F222 HydrophobicContact CB-CE1 4.16Å; R122-F222 HydrophobicContact CB-CZ 4.25Å; R122-E235 IonicContact CZ-OE1 3.43Å; R122-E235 IonicContact NE-OE1 2.7Å; R122-E235 IonicContact NH2-OE1 3.68Å; R122-E235 PolarHBondContact NH2-OE1 3.38Å; R122-E235 IonicContact NH2-OE2 3.56Å; R122-F238 HydrophobicContact CG-CD1 4.47Å; R122-F238 HydrophobicContact CG-CD2 3.97Å; R122-F238 HydrophobicContact CG-CE1 4.2Å; R122-F238 HydrophobicContact CG-CE2 3.65Å; R122-F238 HydrophobicContact CG-CG 4.37Å; R122-F238 HydrophobicContact CG-CZ 3.77Å
123L98.8Very high98.5Very high2 Ų221 Ų211%0.0111%0.107CC..Hα-helixtrans-59.8-48.4173.3-84.4170.5000111.1V37 T119 D120 R126 Q127 L220 F222V37-L123 HydrophobicContact CB-CB 3.78Å; V37-L123 HydrophobicContact CB-CD1 4.19Å; V37-L123 HydrophobicContact CG1-CB 3.74Å; T119-L123 HydrophobicContact CG2-CD1 4.01Å; T119-L123 HydrophobicContact CG2-CG 4.49Å; T119-L123 WeakPolarHBondContact O-CB 3.24Å; T119-L123 WeakPolarHBondContact O-CG 3.14Å; T119-L123 PolarHBondContact O-N 3.29Å; D120-L123 PolarHBondContact O-N 3.33Å; L123-R126 WeakPolarHBondContact O-CB 3.48Å; L123-R126 PolarHBondContact O-N 3.26Å; L123-Q127 PolarHBondContact O-N 3.35Å; L123-L220 HydrophobicContact CD1-CD1 4.4Å; L123-L220 HydrophobicContact CD1-CD2 4.23Å; L123-F222 HydrophobicContact CD1-CE2 4.49Å; L123-F222 HydrophobicContact CD2-CD2 4.49Å; L123-F222 HydrophobicContact CD2-CE2 3.55Å; L123-F222 HydrophobicContact CD2-CZ 3.94Å; L123-F222 HydrophobicContact CG-CE2 3.73Å; L123-F222 HydrophobicContact CG-CZ 3.81Å
124W98.8Very high98.6Very high35 Ų3520.6 Ų20.613%0.13312%0.116CC..Hα-helixtrans-62.4-49.2179-172.695.2000111.1L34 V37 D120 L121 R126 Q127 T128 V332 F333 S336L34-W124 HydrophobicContact CD2-CB 3.57Å; L34-W124 HydrophobicContact CD2-CD2 4.47Å; L34-W124 HydrophobicContact CD2-CG 3.65Å; V37-W124 HydrophobicContact CG1-CB 4.41Å; V37-W124 HydrophobicContact CG2-CB 4.17Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.91Å; L121-W124 PolarHBondContact O-N 3.32Å; W124-R126 VanDerWaalsContact C-N 3.29Å; W124-R126 PolarHBondContact O-N 3.31Å; W124-Q127 PolarHBondContact O-N 2.77Å; W124-Q127 VanDerWaalsContact O-N 3.12Å; W124-T128 HydrophobicContact CH2-CG2 3.72Å; W124-T128 VanDerWaalsContact CH2-OG1 3.23Å; W124-T128 WeakPolarHBondContact CH2-OG1 3.38Å; W124-T128 WeakPolarHBondContact CZ2-OG1 3.5Å; W124-T128 HydrophobicContact CZ3-CG2 3.73Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.29Å; W124-T128 PolarHBondContact O-N 3.35Å; W124-T128 PolarHBondContact O-OG1 3.2Å; W124-V332 HydrophobicContact CE3-CG1 4.02Å; W124-V332 HydrophobicContact CH2-CG1 4.41Å; W124-V332 HydrophobicContact CZ3-CG1 3.51Å; W124-F333 HydrophobicContact CD2-CD1 4.47Å; W124-F333 HydrophobicContact CD2-CE1 4.03Å; W124-F333 HydrophobicContact CE3-CD1 4.36Å; W124-F333 HydrophobicContact CE3-CE1 4.15Å; W124-F333 AromaticContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CE1 4.31Å; W124-F333 AromaticContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CE1 4.17Å; W124-F333 HydrophobicContact CZ3-CD1 4.06Å; W124-F333 HydrophobicContact CZ3-CE1 4.31Å; W124-S336 WeakPolarHBondContact CH2-OG 3.28Å; W124-S336 WeakPolarHBondContact CZ3-OG 3.21Å
125M98.9Very high98.7Very high1 Ų121 Ų211%0.00512%0.118CC..Hα-helixtrans-63.3-34.5178.9-73.5-177.373.100112.3L121 Q127 T128 C129 I194 F238 V239 F242 V332L121-M125 HydrophobicContact CD1-CG 4.27Å; L121-M125 HydrophobicContact CD1-SD 4.33Å; L121-M125 HydrophobicContact CG-CG 4.42Å; L121-M125 HydrophobicContact CG-SD 4.09Å; L121-M125 WeakPolarHBondContact O-CB 3.24Å; L121-M125 VanDerWaalsContact O-CG 3.25Å; L121-M125 WeakPolarHBondContact O-CG 3.45Å; L121-M125 PolarHBondContact O-N 2.96Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.36Å; M125-T128 PolarHBondContact O-N 2.73Å; M125-C129 WeakPolarHBondContact O-CB 3.3Å; M125-C129 PolarHBondContact O-N 3.21Å; M125-C129 PolarHBondContact O-SG 3.03Å; M125-I194 HydrophobicContact CB-CD1 4.22Å; M125-I194 HydrophobicContact CB-CG2 4.12Å; M125-I194 HydrophobicContact CE-CD1 4.05Å; M125-F238 HydrophobicContact CE-CD2 4.15Å; M125-F238 HydrophobicContact SD-CD2 3.57Å; M125-F238 VanDerWaalsContact SD-CD2 3.57Å; M125-F238 HydrophobicContact SD-CE2 3.5Å; M125-F238 WeakPolarHBondContact SD-CE2 3.44Å; M125-V239 HydrophobicContact SD-CG2 4.24Å; M125-F242 HydrophobicContact CE-CB 3.49Å; M125-F242 VanDerWaalsContact CE-CB 3.49Å; M125-F242 HydrophobicContact CE-CD1 3.89Å; M125-F242 HydrophobicContact CE-CD2 4.18Å; M125-F242 HydrophobicContact CE-CG 3.58Å; M125-V332 HydrophobicContact CE-CG1 4.41Å; M125-V332 HydrophobicContact CE-CG2 4.26Å; M125-V332 HydrophobicContact CG-CG1 3.79Å; M125-V332 HydrophobicContact SD-CG1 4.03Å; M125-V332 HydrophobicContact SD-CG2 3.93Å
126R98.6Very high98.7Very high53 Ų5321 Ų2120%0.212%0.118CC..Hα-helixtrans-59.4-43.6174.3-179-176.169.2-177.20.7111.4R122 L123 W124 S130 I194 N195 L220 N221R122-R126 VanDerWaalsContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CB 3.43Å; R122-R126 PolarHBondContact O-N 2.88Å; L123-R126 WeakPolarHBondContact O-CB 3.48Å; L123-R126 PolarHBondContact O-N 3.26Å; W124-R126 VanDerWaalsContact C-N 3.29Å; W124-R126 PolarHBondContact O-N 3.31Å; R126-S130 PolarHBondContact O-N 2.88Å; R126-I194 HydrophobicContact CB-CG2 4.19Å; R126-N195 VanDerWaalsContact CD-OD1 3.26Å; R126-N195 WeakPolarHBondContact CD-OD1 3.33Å; R126-L220 PolarHBondContact NH1-O 2.87Å; R126-L220 PolarHBondContact NH2-O 2.83Å; R126-N221 PolarHBondContact NH1-O 3.42Å
127Q98Very high98.7Very high95 Ų9522.8 Ų22.844%0.44413%0.125SC..Hα-helixtrans-69.2-50.8177.3-176.7177.1-0.200111L123 W124 M125 C129 S130 T131L123-Q127 PolarHBondContact O-N 3.35Å; W124-Q127 PolarHBondContact O-N 2.77Å; W124-Q127 VanDerWaalsContact O-N 3.12Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 3.36Å; Q127-C129 PolarHBondContact O-N 3.49Å; Q127-S130 WeakPolarHBondContact O-CA 3.38Å; Q127-S130 VanDerWaalsContact O-CB 3.22Å; Q127-S130 WeakPolarHBondContact O-CB 3.38Å; Q127-S130 PolarHBondContact O-N 3.26Å; Q127-T131 PolarHBondContact O-N 3.12Å; Q127-T131 VanDerWaalsContact O-N 3.13Å
128T98.6Very high98.7Very high20 Ų2025.8 Ų25.812%0.12314%0.138CC..Hα-helixtrans-59.5-44.6-179.7-61.10000112.2W124 M125 S130 T131 L132W124-T128 HydrophobicContact CH2-CG2 3.72Å; W124-T128 VanDerWaalsContact CH2-OG1 3.23Å; W124-T128 WeakPolarHBondContact CH2-OG1 3.38Å; W124-T128 WeakPolarHBondContact CZ2-OG1 3.5Å; W124-T128 HydrophobicContact CZ3-CG2 3.73Å; W124-T128 WeakPolarHBondContact CZ3-OG1 3.29Å; W124-T128 PolarHBondContact O-N 3.35Å; W124-T128 PolarHBondContact O-OG1 3.2Å; M125-T128 PolarHBondContact O-N 2.73Å; T128-S130 PolarHBondContact O-N 2.93Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 VanDerWaalsContact O-N 3.16Å; T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CG 3.42Å; T128-L132 PolarHBondContact O-N 2.86Å
129C98.6Very high98.7Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-64.9-27.7176.6-68.10000112.3M125 Q127 S133 L187 R191M125-C129 WeakPolarHBondContact O-CB 3.3Å; M125-C129 PolarHBondContact O-N 3.21Å; M125-C129 PolarHBondContact O-SG 3.03Å; Q127-C129 PolarHBondContact O-N 3.49Å; C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 3.28Å; C129-S133 PolarHBondContact O-OG 3.31Å; C129-L187 HydrophobicContact CB-CD1 4.08Å; C129-R191 HydrophobicContact CB-CG 3.52Å
130S98Very high98.7Very high56 Ų5625.8 Ų25.839%0.39214%0.138SC..Hα-helixtrans-66.6-46.3172.5-161.90000111.3R126 Q127 T128 S133 G134 R191R126-S130 PolarHBondContact O-N 2.88Å; Q127-S130 WeakPolarHBondContact O-CA 3.38Å; Q127-S130 VanDerWaalsContact O-CB 3.22Å; Q127-S130 WeakPolarHBondContact O-CB 3.38Å; Q127-S130 PolarHBondContact O-N 3.26Å; T128-S130 PolarHBondContact O-N 2.93Å; S130-S133 WeakPolarHBondContact O-CB 3.45Å; S130-S133 PolarHBondContact O-N 3.18Å; S130-G134 PolarHBondContact O-N 3.27Å; S130-G134 VanDerWaalsContact O-N 3.15Å; S130-R191 PolarHBondContact OG-NH2 3.14Å
131T98.5Very high98.7Very high80 Ų8029.8 Ų29.849%0.49115%0.153SC..Hα-helixtrans-60.8-47.3174.6-57.30000111.3Q127 T128 S133 G134 L135Q127-T131 PolarHBondContact O-N 3.12Å; Q127-T131 VanDerWaalsContact O-N 3.13Å; T128-T131 PolarHBondContact O-N 3.25Å; T128-T131 VanDerWaalsContact O-N 3.16Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.19Å; T131-G134 PolarHBondContact O-N 3.3Å; T131-G134 VanDerWaalsContact O-N 3.09Å; T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 HydrophobicContact CG2-CG 4.45Å; T131-L135 WeakPolarHBondContact O-CG 3.15Å; T131-L135 PolarHBondContact O-N 3.06Å
132L98.9Very high98.7Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-60.7-36.6177.5-70.9173.1000112.6T128 L135 L136 L187 F242 W245 M339 S340 L343T128-L132 HydrophobicContact CG2-CD1 4.05Å; T128-L132 HydrophobicContact CG2-CG 4.41Å; T128-L132 WeakPolarHBondContact O-CG 3.42Å; T128-L132 PolarHBondContact O-N 2.86Å; L132-L135 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 PolarHBondContact O-N 3.02Å; L132-L187 HydrophobicContact CB-CD2 4.08Å; L132-F242 HydrophobicContact CD1-CE2 3.79Å; L132-F242 HydrophobicContact CD1-CZ 4.06Å; L132-W245 HydrophobicContact CB-CH2 4.22Å; L132-W245 HydrophobicContact CD1-CH2 3.96Å; L132-W245 HydrophobicContact CD1-CZ3 3.97Å; L132-M339 HydrophobicContact CD1-CB 4.5Å; L132-M339 HydrophobicContact CD2-CB 3.73Å; L132-S340 WeakPolarHBondContact CD2-OG 3.45Å; L132-L343 HydrophobicContact CD2-CD1 4.1Å
133S98.7Very high98.7Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-60.1-47.1173.5-560000110.6C129 S130 T131 L136 W137 L187 R191C129-S133 WeakPolarHBondContact O-CB 3.3Å; C129-S133 PolarHBondContact O-N 3.28Å; C129-S133 PolarHBondContact O-OG 3.31Å; S130-S133 WeakPolarHBondContact O-CB 3.45Å; S130-S133 PolarHBondContact O-N 3.18Å; T131-S133 VanDerWaalsContact C-N 3.29Å; T131-S133 PolarHBondContact O-N 3.19Å; S133-L136 PolarHBondContact O-N 2.76Å; S133-W137 VanDerWaalsContact O-CD2 3.25Å; S133-W137 VanDerWaalsContact O-CG 3.24Å; S133-W137 PolarHBondContact O-N 2.98Å; S133-L187 WeakPolarHBondContact OG-CD2 3.29Å; S133-R191 PolarHBondContact OG-NH1 3.46Å; S133-R191 VanDerWaalsContact OG-NH1 3.14Å
134G98.5Very high98.7Very high35 Ų3530 Ų3036%0.36116%0.156SC..Hα-helixtrans-60.5-46.7177.300000113.3S130 T131 L136 W137 E138S130-G134 PolarHBondContact O-N 3.27Å; S130-G134 VanDerWaalsContact O-N 3.15Å; T131-G134 PolarHBondContact O-N 3.3Å; T131-G134 VanDerWaalsContact O-N 3.09Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.38Å; G134-W137 PolarHBondContact O-N 3.31Å; G134-E138 PolarHBondContact O-N 3.4Å
135L98.9Very high98.7Very high35 Ų3531.4 Ų31.418%0.18317%0.166CC..Hα-helixtrans-62.6-39.9177.4-66178.3000112.3T131 L132 E138 L139 L343 Q344T131-L135 HydrophobicContact CG2-CD1 4.28Å; T131-L135 HydrophobicContact CG2-CG 4.45Å; T131-L135 WeakPolarHBondContact O-CG 3.15Å; T131-L135 PolarHBondContact O-N 3.06Å; L132-L135 PolarHBondContact O-N 3.46Å; L135-E138 PolarHBondContact O-N 3.5Å; L135-L139 PolarHBondContact O-N 3.31Å; L135-L139 VanDerWaalsContact O-N 3.13Å; L135-L343 HydrophobicContact CB-CB 4.09Å; L135-L343 HydrophobicContact CB-CD1 4.03Å; L135-Q344 HydrophobicContact CD1-CG 4.25Å; L135-Q344 HydrophobicContact CD2-CG 3.72Å
136L98.9Very high98.7Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-68.1-41.3177.1-178.456.8000111.6L132 S133 G134 E138 L139 I140 L180 D183 L343L132-L136 VanDerWaalsContact O-CB 3.32Å; L132-L136 WeakPolarHBondContact O-CB 3.37Å; L132-L136 PolarHBondContact O-N 3.02Å; S133-L136 PolarHBondContact O-N 2.76Å; G134-L136 VanDerWaalsContact C-N 3.34Å; G134-L136 PolarHBondContact O-N 3.38Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.97Å; L136-L139 PolarHBondContact O-N 3.46Å; L136-I140 HydrophobicContact CD1-CD1 4.23Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.67Å; L136-L180 HydrophobicContact CD1-CB 4.12Å; L136-L180 HydrophobicContact CD1-CD2 4.05Å; L136-D183 HydrophobicContact CD2-CB 4.34Å; L136-L343 HydrophobicContact CB-CD1 4.34Å; L136-L343 HydrophobicContact CB-CD2 4.45Å; L136-L343 HydrophobicContact CD1-CD2 3.85Å
137W98.8Very high98.7Very high39 Ų3930.1 Ų30.115%0.14816%0.161CC..Hα-helixtrans-63.6-37.6174.4-67.2-32.6000112.7S133 G134 I140 R141 S184 L188 L459 Q462 Q463S133-W137 VanDerWaalsContact O-CD2 3.25Å; S133-W137 VanDerWaalsContact O-CG 3.24Å; S133-W137 PolarHBondContact O-N 2.98Å; G134-W137 PolarHBondContact O-N 3.31Å; W137-I140 PolarHBondContact O-N 2.95Å; W137-R141 VanDerWaalsContact O-CB 3.31Å; W137-R141 WeakPolarHBondContact O-CB 3.44Å; W137-R141 PolarHBondContact O-N 3.33Å; W137-S184 PolarHBondContact NE1-OG 3.47Å; W137-L188 HydrophobicContact CZ2-CD1 4.38Å; W137-L188 HydrophobicContact CZ2-CD2 4.12Å; W137-L459 HydrophobicContact CB-CD2 4.42Å; W137-L459 VanDerWaalsContact CD1-CD2 3.48Å; W137-L459 HydrophobicContact CG-CD2 4.19Å; W137-Q462 HydrophobicContact CZ2-CB 4.01Å; W137-Q462 VanDerWaalsContact CZ2-O 3.3Å; W137-Q462 WeakPolarHBondContact CZ2-O 3.48Å; W137-Q462 VanDerWaalsContact NE1-OE1 3.09Å; W137-Q463 HydrophobicContact CD2-CG 4.48Å; W137-Q463 HydrophobicContact CE3-CG 4.21Å; W137-Q463 HydrophobicContact CH2-CG 4.35Å; W137-Q463 HydrophobicContact CZ3-CG 4.15Å
138E98.8Very high98.8Very high76 Ų7628.8 Ų28.836%0.35516%0.155SC..Hα-helixtrans-59.1-47.9173.7-178.868-123.400111.5G134 L135 L136 R141 T142 T347G134-E138 PolarHBondContact O-N 3.4Å; L135-E138 PolarHBondContact O-N 3.5Å; L136-E138 VanDerWaalsContact C-N 3.33Å; L136-E138 PolarHBondContact O-N 2.97Å; E138-R141 VanDerWaalsContact CD-NH1 3.33Å; E138-R141 PolarHBondContact O-N 2.72Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NH1 3.63Å; E138-R141 PolarHBondContact OE1-NH1 3.17Å; E138-R141 IonicContact OE1-NH2 2.69Å; E138-R141 PolarHBondContact OE1-NH2 3.13Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.43Å; E138-R141 PolarHBondContact OE2-NH1 3.39Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 3.01Å; E138-T142 WeakPolarHBondContact O-CB 3.43Å; E138-T142 PolarHBondContact O-N 3.27Å; E138-T142 PolarHBondContact O-OG1 3.13Å; E138-T347 HydrophobicContact CG-CG2 3.92Å
139L98.9Very high98.8Very high0 Ų032 Ų320%018%0.183CC..Hα-helixtrans-58.2-51.4176.2175.956.8000111.2L135 L136 R141 T142 M143 L180 L253 L343 A346 T347 I350L135-L139 PolarHBondContact O-N 3.31Å; L135-L139 VanDerWaalsContact O-N 3.13Å; L136-L139 PolarHBondContact O-N 3.46Å; L139-R141 PolarHBondContact O-N 3.15Å; L139-T142 PolarHBondContact O-N 3.04Å; L139-M143 HydrophobicContact CD1-CG 4.19Å; L139-M143 HydrophobicContact CD1-SD 3.99Å; L139-M143 HydrophobicContact CG-SD 4.01Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.01Å; L139-L180 HydrophobicContact CD2-CD1 3.74Å; L139-L180 HydrophobicContact CG-CD1 4.09Å; L139-L253 HydrophobicContact CD2-CD2 3.93Å; L139-L343 HydrophobicContact CD2-CD2 4Å; L139-A346 HydrophobicContact CD1-CB 4.19Å; L139-A346 HydrophobicContact CD2-CB 4.06Å; L139-T347 WeakPolarHBondContact CB-OG1 3.35Å; L139-I350 HydrophobicContact CD1-CG2 3.87Å
140I98.9Very high98.8Very high0 Ų033.8 Ų33.80%019%0.191CC..Hα-helixtrans-61.5-45.8-178.2-61.9162.4000110.4L136 W137 T142 M143 V144 A177 L180 T181 V455 L459L136-I140 HydrophobicContact CD1-CD1 4.23Å; L136-I140 HydrophobicContact CD1-CG1 4.41Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 VanDerWaalsContact O-CG1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.36Å; L136-I140 PolarHBondContact O-N 2.67Å; W137-I140 PolarHBondContact O-N 2.95Å; I140-T142 PolarHBondContact O-N 2.69Å; I140-M143 WeakPolarHBondContact O-CB 3.15Å; I140-M143 PolarHBondContact O-N 2.83Å; I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.19Å; I140-A177 HydrophobicContact CG2-CB 4.4Å; I140-L180 HydrophobicContact CD1-CB 4.01Å; I140-L180 HydrophobicContact CG1-CB 3.73Å; I140-T181 HydrophobicContact CD1-CG2 4.19Å; I140-T181 HydrophobicContact CG2-CG2 3.9Å; I140-V455 HydrophobicContact CG2-CG1 3.86Å; I140-L459 HydrophobicContact CB-CD1 4.34Å; I140-L459 HydrophobicContact CB-CD2 4.19Å; I140-L459 HydrophobicContact CD1-CD2 4.13Å; I140-L459 HydrophobicContact CG2-CD1 3.86Å; I140-L459 HydrophobicContact CG2-CD2 4.01Å; I140-L459 HydrophobicContact CG2-CG 4.21Å
141R98.8Very high98.8Very high85 Ų8533.7 Ų33.732%0.32118%0.183SC..Hα-helixtrans-61.3-45178.2173.9169.835.7652.7111.4W137 E138 L139 M143 V144 D145 L459W137-R141 VanDerWaalsContact O-CB 3.31Å; W137-R141 WeakPolarHBondContact O-CB 3.44Å; W137-R141 PolarHBondContact O-N 3.33Å; E138-R141 VanDerWaalsContact CD-NH1 3.33Å; E138-R141 PolarHBondContact O-N 2.72Å; E138-R141 IonicContact OE1-CZ 3.82Å; E138-R141 IonicContact OE1-NH1 3.63Å; E138-R141 PolarHBondContact OE1-NH1 3.17Å; E138-R141 IonicContact OE1-NH2 2.69Å; E138-R141 PolarHBondContact OE1-NH2 3.13Å; E138-R141 IonicContact OE2-CZ 3.34Å; E138-R141 IonicContact OE2-NH1 3.43Å; E138-R141 PolarHBondContact OE2-NH1 3.39Å; E138-R141 IonicContact OE2-NH2 3.56Å; E138-R141 PolarHBondContact OE2-NH2 3.01Å; L139-R141 PolarHBondContact O-N 3.15Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.07Å; R141-V144 PolarHBondContact O-N 2.95Å; R141-V144 VanDerWaalsContact O-N 3.14Å; R141-D145 VanDerWaalsContact CG-OD2 3.31Å; R141-D145 WeakPolarHBondContact CG-OD2 3.23Å; R141-D145 WeakPolarHBondContact O-CB 3.4Å; R141-D145 PolarHBondContact O-N 2.8Å; R141-L459 HydrophobicContact CB-CD1 4.29Å
142T98.9Very high98.8Very high18 Ų1834.2 Ų34.211%0.1118%0.183CC..Hα-helixtrans-57.6-44.4176.6-59.20000111.4E138 L139 I140 D145 R146 I350E138-T142 WeakPolarHBondContact O-CB 3.43Å; E138-T142 PolarHBondContact O-N 3.27Å; E138-T142 PolarHBondContact O-OG1 3.13Å; L139-T142 PolarHBondContact O-N 3.04Å; I140-T142 PolarHBondContact O-N 2.69Å; T142-D145 PolarHBondContact O-N 3.43Å; T142-R146 WeakPolarHBondContact O-CB 3.32Å; T142-R146 PolarHBondContact O-N 3.13Å; T142-I350 HydrophobicContact CG2-CG2 3.91Å
143M98.9Very high98.8Very high1 Ų134.6 Ų34.61%0.00519%0.185CC..Hα-helixtrans-61.9-44.8176-68.4172.680.700111.7L139 I140 R141 A147 I173 H176 A177 L180 M256 I350L139-M143 HydrophobicContact CD1-CG 4.19Å; L139-M143 HydrophobicContact CD1-SD 3.99Å; L139-M143 HydrophobicContact CG-SD 4.01Å; L139-M143 VanDerWaalsContact O-CG 3.26Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.01Å; I140-M143 WeakPolarHBondContact O-CB 3.15Å; I140-M143 PolarHBondContact O-N 2.83Å; R141-M143 VanDerWaalsContact C-N 3.3Å; R141-M143 PolarHBondContact O-N 3.07Å; M143-A147 VanDerWaalsContact O-CB 3.28Å; M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.41Å; M143-I173 HydrophobicContact CB-CG2 3.72Å; M143-I173 HydrophobicContact CE-CG2 4.28Å; M143-I173 HydrophobicContact CG-CG2 4.36Å; M143-I173 VanDerWaalsContact O-CG2 3.23Å; M143-I173 WeakPolarHBondContact O-CG2 3.29Å; M143-H176 HydrophobicContact CE-CB 3.46Å; M143-H176 VanDerWaalsContact CE-CB 3.46Å; M143-A177 HydrophobicContact CB-CB 4.08Å; M143-A177 HydrophobicContact CE-CB 4.16Å; M143-A177 HydrophobicContact SD-CB 4.31Å; M143-L180 HydrophobicContact CE-CD1 4.42Å; M143-L180 HydrophobicContact SD-CD1 3.71Å; M143-M256 HydrophobicContact CE-SD 4.05Å; M143-I350 HydrophobicContact CG-CG1 4.04Å; M143-I350 HydrophobicContact CG-CG2 4.15Å
144V98.9Very high98.8Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-67-41.4-180173.50000111.8I140 R141 A147 E148 L174 A177 I452 V455 R456I140-V144 HydrophobicContact CG2-CG2 4.32Å; I140-V144 VanDerWaalsContact O-CG2 3.26Å; I140-V144 WeakPolarHBondContact O-CG2 3.5Å; I140-V144 PolarHBondContact O-N 3.19Å; R141-V144 PolarHBondContact O-N 2.95Å; R141-V144 VanDerWaalsContact O-N 3.14Å; V144-A147 PolarHBondContact O-N 3.34Å; V144-E148 PolarHBondContact O-N 3.21Å; V144-L174 HydrophobicContact CG2-CD2 4.21Å; V144-A177 HydrophobicContact CG2-CB 4.4Å; V144-I452 HydrophobicContact CG1-CB 4.49Å; V144-I452 HydrophobicContact CG1-CG2 3.86Å; V144-V455 HydrophobicContact CG2-CB 4.11Å; V144-V455 HydrophobicContact CG2-CG1 3.5Å; V144-V455 VanDerWaalsContact CG2-CG1 3.5Å; V144-R456 HydrophobicContact CG1-CG 4.01Å
145D98.9Very high98.8Very high65 Ų6534.5 Ų34.535%0.34818%0.176SC..Hα-helixtrans-64.2-44.1178.4-67.1-22.4000110.8R141 T142 E148 A149 R456R141-D145 VanDerWaalsContact CG-OD2 3.31Å; R141-D145 WeakPolarHBondContact CG-OD2 3.23Å; R141-D145 WeakPolarHBondContact O-CB 3.4Å; R141-D145 PolarHBondContact O-N 2.8Å; T142-D145 PolarHBondContact O-N 3.43Å; D145-E148 PolarHBondContact O-N 2.75Å; D145-A149 PolarHBondContact O-N 3.45Å; D145-R456 IonicContact OD1-CZ 3.06Å; D145-R456 IonicContact OD1-NH1 3.54Å; D145-R456 PolarHBondContact OD1-NH1 3.06Å; D145-R456 IonicContact OD1-NH2 2.76Å; D145-R456 PolarHBondContact OD1-NH2 3.44Å
146R98.8Very high98.8Very high27 Ų2732.8 Ų32.810%0.10217%0.167CC..Hα-helixtrans-61.8-46.2172.2-179.5-168.7-93.9-89.7-1.8111.3T142 E148 A149 E150 I173 I350 L353T142-R146 WeakPolarHBondContact O-CB 3.32Å; T142-R146 PolarHBondContact O-N 3.13Å; R146-E148 PolarHBondContact O-N 2.92Å; R146-A149 PolarHBondContact O-N 3.03Å; R146-A149 VanDerWaalsContact O-N 3.08Å; R146-E150 WeakPolarHBondContact CD-OE2 3.21Å; R146-E150 HydrophobicContact CG-CG 4.17Å; R146-E150 WeakPolarHBondContact CG-OE2 3.47Å; R146-E150 IonicContact CZ-OE1 3.74Å; R146-E150 IonicContact CZ-OE2 3.17Å; R146-E150 IonicContact NE-OE2 3.77Å; R146-E150 IonicContact NH1-OE1 3.94Å; R146-E150 PolarHBondContact NH1-OE1 3.39Å; R146-E150 IonicContact NH1-OE2 3.58Å; R146-E150 PolarHBondContact NH1-OE2 3.1Å; R146-E150 WeakPolarHBondContact O-CB 3.48Å; R146-E150 PolarHBondContact O-N 3.17Å; R146-I173 HydrophobicContact CB-CD1 4.45Å; R146-I173 HydrophobicContact CG-CD1 3.84Å; R146-I350 VanDerWaalsContact CZ-O 3.23Å; R146-I350 PolarHBondContact NE-O 2.99Å; R146-I350 PolarHBondContact NH2-O 2.87Å; R146-L353 PolarHBondContact NH2-O 3.01Å
147A98.9Very high98.8Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-57.7-37.7178.700000111.3M143 V144 R151 S170 I173 L174M143-A147 VanDerWaalsContact O-CB 3.28Å; M143-A147 WeakPolarHBondContact O-CB 3.49Å; M143-A147 PolarHBondContact O-N 3.41Å; V144-A147 PolarHBondContact O-N 3.34Å; A147-R151 WeakPolarHBondContact O-CG 3.41Å; A147-R151 PolarHBondContact O-N 3.1Å; A147-S170 WeakPolarHBondContact O-CB 3.4Å; A147-S170 PolarHBondContact O-OG 3.43Å; A147-I173 HydrophobicContact CB-CB 4.15Å; A147-I173 HydrophobicContact CB-CD1 4.43Å; A147-I173 HydrophobicContact CB-CG2 4.08Å; A147-L174 HydrophobicContact CB-CD1 4.36Å; A147-L174 HydrophobicContact CB-CD2 4.12Å; A147-L174 HydrophobicContact CB-CG 3.88Å
148E98.8Very high98.8Very high68 Ų6833.5 Ų33.532%0.31817%0.171SC..Hα-helixtrans-68.6-39.6175.2-172.2168.5-168.700113.1V144 D145 R146 R151 I452 R456V144-E148 PolarHBondContact O-N 3.21Å; D145-E148 PolarHBondContact O-N 2.75Å; R146-E148 PolarHBondContact O-N 2.92Å; E148-R151 VanDerWaalsContact CG-NH2 3.35Å; E148-R151 WeakPolarHBondContact O-CG 3.43Å; E148-R151 PolarHBondContact O-NE 3.08Å; E148-R151 PolarHBondContact O-NH2 3.32Å; E148-R151 IonicContact OE1-NH2 3.56Å; E148-I452 HydrophobicContact CB-CD1 3.92Å; E148-I452 HydrophobicContact CG-CD1 4.31Å; E148-R456 IonicContact OE2-CZ 3.68Å; E148-R456 IonicContact OE2-NE 3.68Å; E148-R456 IonicContact OE2-NH2 3.53Å; E148-R456 PolarHBondContact OE2-NH2 2.93Å
149A98.7Very high98.8Very high86 Ų8634 Ų3471%0.71118%0.18SC*.Hα-helixtrans-69-33.7178.200000112.8D145 R146D145-A149 PolarHBondContact O-N 3.45Å; R146-A149 PolarHBondContact O-N 3.03Å; R146-A149 VanDerWaalsContact O-N 3.08Å
150E98.8Very high98.7Very high38 Ų3842.7 Ų42.718%0.17822%0.22CC..THydrogen-bonded Turntrans-10618.7-170.5-57.7-178.514900113.4R146 D152 V153 W169 S170 I355R146-E150 WeakPolarHBondContact CD-OE2 3.21Å; R146-E150 HydrophobicContact CG-CG 4.17Å; R146-E150 WeakPolarHBondContact CG-OE2 3.47Å; R146-E150 IonicContact CZ-OE1 3.74Å; R146-E150 IonicContact CZ-OE2 3.17Å; R146-E150 IonicContact NE-OE2 3.77Å; R146-E150 IonicContact NH1-OE1 3.94Å; R146-E150 PolarHBondContact NH1-OE1 3.39Å; R146-E150 IonicContact NH1-OE2 3.58Å; R146-E150 PolarHBondContact NH1-OE2 3.1Å; R146-E150 WeakPolarHBondContact O-CB 3.48Å; R146-E150 PolarHBondContact O-N 3.17Å; E150-D152 PolarHBondContact O-N 3.17Å; E150-V153 HydrophobicContact CB-CG2 4.38Å; E150-V153 PolarHBondContact O-N 2.98Å; E150-V153 VanDerWaalsContact O-N 3.09Å; E150-W169 PolarHBondContact OE2-NE1 2.69Å; E150-S170 PolarHBondContact O-OG 3.04Å; E150-S170 VanDerWaalsContact O-OG 3.11Å; E150-I355 HydrophobicContact CG-CD1 4.36Å
151R98.4Very high98.7Very high54 Ų5447.6 Ų47.620%0.20425%0.245CC..THydrogen-bonded Turntrans-52.2-31.8-173.6-77.4176.8-74.9-172.1-11114.8A147 E148 R168 S170 V448 D449 I452A147-R151 WeakPolarHBondContact O-CG 3.41Å; A147-R151 PolarHBondContact O-N 3.1Å; E148-R151 VanDerWaalsContact CG-NH2 3.35Å; E148-R151 WeakPolarHBondContact O-CG 3.43Å; E148-R151 PolarHBondContact O-NE 3.08Å; E148-R151 PolarHBondContact O-NH2 3.32Å; E148-R151 IonicContact OE1-NH2 3.56Å; R151-R168 VanDerWaalsContact O-CD 3.32Å; R151-R168 WeakPolarHBondContact O-CD 3.34Å; R151-R168 PolarHBondContact O-NH1 2.96Å; R151-S170 WeakPolarHBondContact CA-OG 3.36Å; R151-S170 PolarHBondContact N-OG 3.26Å; R151-S170 VanDerWaalsContact N-OG 3.16Å; R151-V448 HydrophobicContact CG-CG1 4.03Å; R151-D449 WeakPolarHBondContact CD-OD1 3.49Å; R151-D449 IonicContact CZ-OD1 2.68Å; R151-D449 IonicContact NE-OD1 3.51Å; R151-D449 IonicContact NH1-OD1 3.52Å; R151-D449 PolarHBondContact NH1-OD1 3.33Å; R151-D449 IonicContact NH1-OD2 2.93Å; R151-I452 HydrophobicContact CG-CD1 4.23Å
152D98.5Very high98.6Very high92 Ų9250 Ų5049%0.49226%0.261SS..THydrogen-bonded Turntrans-88.5-4-173.3-68.9-42.3000114.6E150 R168 R445E150-D152 PolarHBondContact O-N 3.17Å; D152-R168 IonicContact OD1-NH1 3.4Å; D152-R168 PolarHBondContact OD1-NH1 3.26Å; D152-R168 VanDerWaalsContact OD1-NH1 3.16Å; D152-R445 IonicContact OD1-CZ 2.8Å; D152-R445 IonicContact OD1-NE 3.37Å; D152-R445 IonicContact OD1-NH1 3.44Å; D152-R445 PolarHBondContact OD1-NH1 3.03Å; D152-R445 IonicContact OD2-CZ 3.45Å; D152-R445 IonicContact OD2-NH1 2.62Å; D152-R445 PolarHBondContact OD2-NH1 3.41Å; D152-R445 IonicContact OD2-NH2 3.5Å
153V98.9Very high98.6Very high8 Ų854.9 Ų54.95%0.04828%0.277CS..  trans-78.8128.1178.1-176.90000110.3E150 R168 W169 I355 Q357 M360E150-V153 HydrophobicContact CB-CG2 4.38Å; E150-V153 PolarHBondContact O-N 2.98Å; E150-V153 VanDerWaalsContact O-N 3.09Å; V153-R168 CarbonylContact O-C 3.59Å; V153-R168 WeakPolarHBondContact O-CA 3.38Å; V153-W169 HydrophobicContact CB-CB 3.99Å; V153-W169 HydrophobicContact CG1-CB 3.99Å; V153-W169 PolarHBondContact O-N 2.95Å; V153-I355 HydrophobicContact CB-CD1 4.37Å; V153-I355 HydrophobicContact CG1-CD1 4.13Å; V153-I355 HydrophobicContact CG2-CD1 3.8Å; V153-Q357 HydrophobicContact CG1-CG 4.04Å; V153-Q357 HydrophobicContact CG2-CG 3.88Å; V153-M360 HydrophobicContact CG1-SD 3.7Å
154L98.8Very high98.5Very high31 Ų3156.5 Ų56.516%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-107.5143.4176.3-53.8-173.3000110.7I167 R168 M360 L364 V434L154-I167 WeakPolarHBondContact CA-O 3.39Å; L154-R168 HydrophobicContact CD2-CG 3.73Å; L154-M360 WeakPolarHBondContact O-CB 3.41Å; L154-L364 HydrophobicContact CB-CD1 4.07Å; L154-V434 HydrophobicContact CD1-CG2 4.4Å; L154-V434 HydrophobicContact CD2-CG1 4.09Å; L154-V434 HydrophobicContact CD2-CG2 3.91Å
155F98.9Very high98.4Very high1 Ų159.6 Ų59.60%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-152.9166174.690.9-59000109.7Y158 I167 W169 W172 Y263 F270 M360F155-Y158 HydrophobicContact CE2-CE2 4.46Å; F155-I167 HydrophobicContact CD1-CD1 4.23Å; F155-I167 HydrophobicContact CD1-CG1 3.7Å; F155-I167 HydrophobicContact CE1-CD1 3.37Å; F155-I167 HydrophobicContact CE1-CG1 3.35Å; F155-I167 HydrophobicContact CZ-CD1 3.8Å; F155-I167 HydrophobicContact CZ-CG1 4.18Å; F155-I167 PolarHBondContact N-O 3.16Å; F155-I167 PolarHBondContact O-N 2.56Å; F155-I167 VanDerWaalsContact O-O 3.07Å; F155-W169 HydrophobicContact CD1-CB 4.21Å; F155-W169 HydrophobicContact CE1-CE3 4.33Å; F155-W169 HydrophobicContact CE2-CE3 4.45Å; F155-W169 HydrophobicContact CZ-CE3 4.28Å; F155-W172 HydrophobicContact CE1-CB 3.77Å; F155-W172 HydrophobicContact CE1-CG 4.46Å; F155-W172 HydrophobicContact CZ-CB 3.63Å; F155-W172 AromaticContact CZ-CG 3.84Å; F155-W172 HydrophobicContact CZ-CG 3.84Å; F155-Y263 HydrophobicContact CE2-CE2 4.07Å; F155-Y263 AromaticContact CE2-CZ 3.89Å; F155-F270 HydrophobicContact CD2-CD2 4.2Å; F155-F270 HydrophobicContact CD2-CE2 4.25Å; F155-M360 HydrophobicContact CB-CB 3.71Å; F155-M360 HydrophobicContact CB-CG 3.9Å; F155-M360 HydrophobicContact CB-SD 4.11Å
156P98.8Very high98.4Very high0 Ų056.5 Ų56.50%029%0.288CS..EExtended strand (participates in β ladder)trans-68.4133.8178.826.5-34.9000112Y158 R163 F270 A363 L364 M368P156-Y158 HydrophobicContact CB-CE2 4.11Å; P156-Y158 HydrophobicContact CG-CE2 3.8Å; P156-Y158 VanDerWaalsContact CG-OH 3.27Å; P156-Y158 WeakPolarHBondContact CG-OH 3.38Å; P156-Y158 WeakPolarHBondContact O-CD2 3.39Å; P156-Y158 WeakPolarHBondContact O-CE2 3.48Å; P156-R163 HydrophobicContact CB-CG 4.09Å; P156-F270 HydrophobicContact CG-CE2 4.03Å; P156-F270 HydrophobicContact CG-CZ 3.8Å; P156-A363 HydrophobicContact CG-CB 3.9Å; P156-L364 HydrophobicContact CB-CD2 4.22Å; P156-M368 HydrophobicContact CB-CE 3.77Å
157G98.7Very high98.4Very high5 Ų556.4 Ų56.45%0.05229%0.29CS..EExtended strand (participates in β ladder)trans-83147.5163.700000110.8A164 Q165G157-A164 PolarHBondContact O-N 2.84Å; G157-Q165 WeakPolarHBondContact CA-O 3.48Å; G157-Q165 PolarHBondContact N-O 3.5Å
158Y98.8Very high98.4Very high49 Ų4957.1 Ų57.119%0.19229%0.292CS..EExtended strand (participates in β ladder)trans-121.6139.7-171.6-65.7-92000113F155 P156 Q162 R163 Y263 F268 F270F155-Y158 HydrophobicContact CE2-CE2 4.46Å; P156-Y158 HydrophobicContact CB-CE2 4.11Å; P156-Y158 HydrophobicContact CG-CE2 3.8Å; P156-Y158 VanDerWaalsContact CG-OH 3.27Å; P156-Y158 WeakPolarHBondContact CG-OH 3.38Å; P156-Y158 WeakPolarHBondContact O-CD2 3.39Å; P156-Y158 WeakPolarHBondContact O-CE2 3.48Å; Y158-Q162 WeakPolarHBondContact CA-O 3.48Å; Y158-R163 HydrophobicContact CE1-CG 3.98Å; Y158-Y263 HydrophobicContact CE2-CE1 4.22Å; Y158-F268 AromaticContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE2-CE1 4.46Å; Y158-F268 AromaticContact CZ-CE1 3.69Å; Y158-F268 VanDerWaalsContact OH-CE1 3.29Å; Y158-F268 WeakPolarHBondContact OH-CE1 3.43Å; Y158-F270 HydrophobicContact CE2-CE2 4.21Å; Y158-F270 WeakPolarHBondContact OH-CE2 3.3Å; Y158-F270 WeakPolarHBondContact OH-CZ 3.1Å
159T98.2Very high98.4Very high86 Ų8653.9 Ų53.953%0.52828%0.277SS..EExtended strand (participates in β ladder)trans-133.7132.8163.158.30000107.9L161 Q162 A164T159-L161 PolarHBondContact O-N 2.98Å; T159-Q162 PolarHBondContact N-O 3.47Å; T159-Q162 VanDerWaalsContact N-O 3.13Å; T159-Q162 WeakPolarHBondContact O-CB 3.17Å; T159-Q162 PolarHBondContact O-N 3.35Å; T159-A164 HydrophobicContact CG2-CB 4.44Å
160H98Very high98.4Very high183 Ų18349.8 Ų49.885%0.84724%0.243SC*.THydrogen-bonded Turntrans55.329.3-171.9-52-83.9000113.6Q162H160-Q162 PolarHBondContact O-N 3.12Å
161L98Very high98.4Very high102 Ų10250 Ų5053%0.53424%0.244SC..THydrogen-bonded Turntrans57.214.8-172.3-14965.7000114.6T159 L262T159-L161 PolarHBondContact O-N 2.98Å; L161-L262 HydrophobicContact CD1-CD2 3.24Å; L161-L262 HydrophobicContact CD2-CD2 3.94Å; L161-L262 HydrophobicContact CG-CD2 3.99Å
162Q97.7Very high98.5Very high137 Ų13748.2 Ų48.264%0.6424%0.237SC*.EExtended strand (participates in β ladder)trans-94.4142.6169.9-63.9-59.6-46.200109.8Y158 T159 H160 A164Y158-Q162 WeakPolarHBondContact CA-O 3.48Å; T159-Q162 PolarHBondContact N-O 3.47Å; T159-Q162 VanDerWaalsContact N-O 3.13Å; T159-Q162 WeakPolarHBondContact O-CB 3.17Å; T159-Q162 PolarHBondContact O-N 3.35Å; H160-Q162 PolarHBondContact O-N 3.12Å; Q162-A164 PolarHBondContact O-N 3.42Å
163R98.2Very high98.5Very high120 Ų12043.8 Ų43.845%0.45321%0.214SC..EExtended strand (participates in β ladder)trans-60.5115.9173.3-82178.1-174.3179.33.2109.2P156 Y158 A363 M368P156-R163 HydrophobicContact CB-CG 4.09Å; Y158-R163 HydrophobicContact CE1-CG 3.98Å; R163-A363 VanDerWaalsContact CZ-O 3.28Å; R163-A363 PolarHBondContact NE-O 2.94Å; R163-A363 PolarHBondContact NH1-O 2.77Å; R163-M368 HydrophobicContact CB-CE 3.49Å; R163-M368 VanDerWaalsContact CB-CE 3.49Å; R163-M368 HydrophobicContact CG-CE 3.65Å
164A97.1Very high98.5Very high34 Ų3443.4 Ų43.428%0.28121%0.212SC..EExtended strand (participates in β ladder)trans-103.2-64.9-176.200000111.9G157 T159 Q162G157-A164 PolarHBondContact O-N 2.84Å; T159-A164 HydrophobicContact CG2-CB 4.44Å; Q162-A164 PolarHBondContact O-N 3.42Å
165Q97.6Very high98.5Very high65 Ų6544.8 Ų44.830%0.30422%0.224SC..EExtended strand (participates in β ladder)trans-151.5156.1-176.762.3-177.3-87.300110.3G157 I167 Y437G157-Q165 WeakPolarHBondContact CA-O 3.48Å; G157-Q165 PolarHBondContact N-O 3.5Å; Q165-I167 HydrophobicContact CG-CG2 4.2Å; Q165-Y437 PolarHBondContact OE1-OH 2.77Å
166P98.6Very high98.5Very high0 Ų045.1 Ų45.10%023%0.225CC..EExtended strand (participates in β ladder)trans-60.8140169.3-17.430.4000110.8L364 M368 Y430 V434P166-L364 HydrophobicContact CB-CD1 4.34Å; P166-L364 HydrophobicContact CB-CD2 3.87Å; P166-L364 HydrophobicContact CG-CD2 4.14Å; P166-M368 HydrophobicContact CG-SD 4.34Å; P166-Y430 HydrophobicContact CG-CD1 3.71Å; P166-Y430 HydrophobicContact CG-CE1 4.49Å; P166-Y430 HydrophobicContact CG-CG 4.37Å; P166-V434 HydrophobicContact CB-CG1 4.02Å; P166-V434 WeakPolarHBondContact O-CG1 3.31Å
167I98.9Very high98.5Very high26 Ų2645.1 Ų45.113%0.13323%0.225CC..EExtended strand (participates in β ladder)trans-137.3164.3170.862.9172.1000110.1L154 F155 Q165 T443L154-I167 WeakPolarHBondContact CA-O 3.39Å; F155-I167 HydrophobicContact CD1-CD1 4.23Å; F155-I167 HydrophobicContact CD1-CG1 3.7Å; F155-I167 HydrophobicContact CE1-CD1 3.37Å; F155-I167 HydrophobicContact CE1-CG1 3.35Å; F155-I167 HydrophobicContact CZ-CD1 3.8Å; F155-I167 HydrophobicContact CZ-CG1 4.18Å; F155-I167 PolarHBondContact N-O 3.16Å; F155-I167 PolarHBondContact O-N 2.56Å; F155-I167 VanDerWaalsContact O-O 3.07Å; Q165-I167 HydrophobicContact CG-CG2 4.2Å; I167-T443 HydrophobicContact CG2-CG2 4.41Å
168R98.9Very high98.5Very high15 Ų1547.2 Ų47.26%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-75133.2169.7-69-178.1-179.8-82.9-6.1109.6R151 D152 V153 L154 S170 H171 W172 E435 T443R151-R168 VanDerWaalsContact O-CD 3.32Å; R151-R168 WeakPolarHBondContact O-CD 3.34Å; R151-R168 PolarHBondContact O-NH1 2.96Å; D152-R168 IonicContact OD1-NH1 3.4Å; D152-R168 PolarHBondContact OD1-NH1 3.26Å; D152-R168 VanDerWaalsContact OD1-NH1 3.16Å; V153-R168 CarbonylContact O-C 3.59Å; V153-R168 WeakPolarHBondContact O-CA 3.38Å; L154-R168 HydrophobicContact CD2-CG 3.73Å; R168-S170 PolarHBondContact O-N 3Å; R168-H171 HydrophobicContact CB-CB 4.19Å; R168-H171 WeakPolarHBondContact O-CA 3.49Å; R168-H171 WeakPolarHBondContact O-CB 3.39Å; R168-H171 PolarHBondContact O-N 2.96Å; R168-W172 PolarHBondContact O-N 2.95Å; R168-E435 IonicContact CZ-OE1 3.73Å; R168-E435 IonicContact NE-OE1 2.64Å; R168-E435 IonicContact NH2-OE1 2.77Å; R168-E435 PolarHBondContact NH2-OE1 3.04Å; R168-T443 WeakPolarHBondContact CD-O 3.27Å; R168-T443 WeakPolarHBondContact CG-O 2.99Å; R168-T443 PolarHBondContact N-OG1 3.39Å; R168-T443 PolarHBondContact NE-O 2.95Å
169W98.9Very high98.5Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-54.2-41.3172.7162.6-111.4000111.8E150 V153 F155 H171 W172 I173 L260 Y263 V271 L353 I355 M360E150-W169 PolarHBondContact OE2-NE1 2.69Å; V153-W169 HydrophobicContact CB-CB 3.99Å; V153-W169 HydrophobicContact CG1-CB 3.99Å; V153-W169 PolarHBondContact O-N 2.95Å; F155-W169 HydrophobicContact CD1-CB 4.21Å; F155-W169 HydrophobicContact CE1-CE3 4.33Å; F155-W169 HydrophobicContact CE2-CE3 4.45Å; F155-W169 HydrophobicContact CZ-CE3 4.28Å; W169-H171 PolarHBondContact O-N 2.94Å; W169-W172 HydrophobicContact CD2-CE3 4.34Å; W169-W172 HydrophobicContact CE3-CD2 4.27Å; W169-W172 AromaticContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CZ3 4.38Å; W169-W172 HydrophobicContact CH2-CD2 4.32Å; W169-W172 AromaticContact CH2-CE3 3.34Å; W169-W172 HydrophobicContact CH2-CE3 3.34Å; W169-W172 AromaticContact CH2-CH2 3.94Å; W169-W172 HydrophobicContact CH2-CH2 3.94Å; W169-W172 AromaticContact CH2-CZ3 3.11Å; W169-W172 HydrophobicContact CH2-CZ3 3.11Å; W169-W172 AromaticContact CZ2-CE3 3.99Å; W169-W172 HydrophobicContact CZ2-CE3 3.99Å; W169-W172 AromaticContact CZ2-CZ3 3.79Å; W169-W172 HydrophobicContact CZ2-CZ3 3.79Å; W169-W172 AromaticContact CZ3-CD2 3.78Å; W169-W172 HydrophobicContact CZ3-CD2 3.78Å; W169-W172 AromaticContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CH2 4.27Å; W169-W172 AromaticContact CZ3-CZ3 3.48Å; W169-W172 HydrophobicContact CZ3-CZ3 3.48Å; W169-W172 VanDerWaalsContact CZ3-CZ3 3.48Å; W169-W172 WeakPolarHBondContact O-CA 3.4Å; W169-W172 WeakPolarHBondContact O-CB 2.87Å; W169-W172 PolarHBondContact O-N 3.33Å; W169-I173 HydrophobicContact CD2-CD1 4.37Å; W169-I173 HydrophobicContact CD2-CG1 4.37Å; W169-I173 HydrophobicContact CZ2-CD1 3.96Å; W169-I173 HydrophobicContact CZ2-CG1 3.96Å; W169-I173 PolarHBondContact O-N 3.14Å; W169-L260 HydrophobicContact CH2-CD2 4.24Å; W169-Y263 HydrophobicContact CZ3-CD2 4.28Å; W169-Y263 HydrophobicContact CZ3-CE2 4.32Å; W169-V271 HydrophobicContact CH2-CG1 4.07Å; W169-V271 HydrophobicContact CZ3-CG1 4.49Å; W169-L353 HydrophobicContact CZ2-CD1 4.31Å; W169-I355 HydrophobicContact CZ2-CG2 3.99Å; W169-M360 HydrophobicContact CD2-CE 4.04Å; W169-M360 HydrophobicContact CE3-CE 3.77Å; W169-M360 HydrophobicContact CZ3-CE 4.07Å
170S98.9Very high98.6Very high0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-59.8-29.6173.7-59.20000113.9A147 E150 R151 R168 I173 L174A147-S170 WeakPolarHBondContact O-CB 3.4Å; A147-S170 PolarHBondContact O-OG 3.43Å; E150-S170 PolarHBondContact O-OG 3.04Å; E150-S170 VanDerWaalsContact O-OG 3.11Å; R151-S170 WeakPolarHBondContact CA-OG 3.36Å; R151-S170 PolarHBondContact N-OG 3.26Å; R151-S170 VanDerWaalsContact N-OG 3.16Å; R168-S170 PolarHBondContact O-N 3Å; S170-I173 PolarHBondContact O-N 3.42Å; S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 WeakPolarHBondContact O-CD1 3.45Å; S170-L174 VanDerWaalsContact O-CG 3.22Å; S170-L174 WeakPolarHBondContact O-CG 3.5Å; S170-L174 PolarHBondContact O-N 3.27Å
171H98.9Very high98.6Very high42 Ų4232.9 Ų32.919%0.19417%0.168CC..Hα-helixtrans-69.1-36.9174.8-168.748.6000111.3R168 W169 S175 G441 V448 Q451R168-H171 HydrophobicContact CB-CB 4.19Å; R168-H171 WeakPolarHBondContact O-CA 3.49Å; R168-H171 WeakPolarHBondContact O-CB 3.39Å; R168-H171 PolarHBondContact O-N 2.96Å; W169-H171 PolarHBondContact O-N 2.94Å; H171-S175 PolarHBondContact O-N 3.35Å; H171-G441 PolarHBondContact CE1-O 3.46Å; H171-V448 HydrophobicContact CB-CG2 4.24Å; H171-Q451 PolarHBondContact ND1-OE1 3.42Å
172W98.9Very high98.6Very high16 Ų1633 Ų336%0.06116%0.161CC..Hα-helixtrans-64.2-45.2171.1173.488.9000111.8F155 R168 W169 L174 S175 H176 M256 D259 L260 Y263F155-W172 HydrophobicContact CE1-CB 3.77Å; F155-W172 HydrophobicContact CE1-CG 4.46Å; F155-W172 HydrophobicContact CZ-CB 3.63Å; F155-W172 AromaticContact CZ-CG 3.84Å; F155-W172 HydrophobicContact CZ-CG 3.84Å; R168-W172 PolarHBondContact O-N 2.95Å; W169-W172 HydrophobicContact CD2-CE3 4.34Å; W169-W172 HydrophobicContact CE3-CD2 4.27Å; W169-W172 AromaticContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CE3 3.72Å; W169-W172 HydrophobicContact CE3-CZ3 4.38Å; W169-W172 HydrophobicContact CH2-CD2 4.32Å; W169-W172 AromaticContact CH2-CE3 3.34Å; W169-W172 HydrophobicContact CH2-CE3 3.34Å; W169-W172 AromaticContact CH2-CH2 3.94Å; W169-W172 HydrophobicContact CH2-CH2 3.94Å; W169-W172 AromaticContact CH2-CZ3 3.11Å; W169-W172 HydrophobicContact CH2-CZ3 3.11Å; W169-W172 AromaticContact CZ2-CE3 3.99Å; W169-W172 HydrophobicContact CZ2-CE3 3.99Å; W169-W172 AromaticContact CZ2-CZ3 3.79Å; W169-W172 HydrophobicContact CZ2-CZ3 3.79Å; W169-W172 AromaticContact CZ3-CD2 3.78Å; W169-W172 HydrophobicContact CZ3-CD2 3.78Å; W169-W172 AromaticContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CE3 3.17Å; W169-W172 HydrophobicContact CZ3-CH2 4.27Å; W169-W172 AromaticContact CZ3-CZ3 3.48Å; W169-W172 HydrophobicContact CZ3-CZ3 3.48Å; W169-W172 VanDerWaalsContact CZ3-CZ3 3.48Å; W169-W172 WeakPolarHBondContact O-CA 3.4Å; W169-W172 WeakPolarHBondContact O-CB 2.87Å; W169-W172 PolarHBondContact O-N 3.33Å; W172-L174 VanDerWaalsContact C-N 3.35Å; W172-L174 PolarHBondContact O-N 3.38Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3Å; W172-S175 PolarHBondContact O-OG 2.81Å; W172-H176 AromaticContact CE2-CD2 3.58Å; W172-H176 AromaticContact CE2-NE2 3.5Å; W172-H176 AromaticContact CH2-CD2 4Å; W172-H176 AromaticContact CZ2-CD2 3.5Å; W172-H176 VanDerWaalsContact CZ2-CD2 3.5Å; W172-H176 WeakPolarHBondContact CZ2-CD2 3.25Å; W172-H176 AromaticContact CZ2-NE2 3.43Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.33Å; W172-H176 AromaticContact NE1-CD2 3.9Å; W172-H176 AromaticContact NE1-NE2 3.47Å; W172-H176 PolarHBondContact NE1-NE2 2.83Å; W172-M256 HydrophobicContact CH2-CG 4.3Å; W172-D259 HydrophobicContact CZ2-CB 3.59Å; W172-D259 PolarHBondContact NE1-OD2 2.79Å; W172-L260 HydrophobicContact CH2-CD1 4.33Å; W172-L260 HydrophobicContact CH2-CD2 3.58Å; W172-L260 HydrophobicContact CH2-CG 3.79Å; W172-L260 HydrophobicContact CZ2-CD2 4.29Å; W172-L260 HydrophobicContact CZ2-CG 4.29Å; W172-L260 HydrophobicContact CZ3-CD2 4.24Å; W172-Y263 HydrophobicContact CD2-CE2 4.35Å; W172-Y263 AromaticContact CE2-CE2 3.8Å; W172-Y263 HydrophobicContact CZ2-CE2 4.04Å; W172-Y263 AromaticContact NE1-CE2 3.83Å
173I98.9Very high98.7Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-58.4-49.3176.5-63.2170.2000110.5M143 R146 A147 W169 S170 S175 H176 A177M143-I173 HydrophobicContact CB-CG2 3.72Å; M143-I173 HydrophobicContact CE-CG2 4.28Å; M143-I173 HydrophobicContact CG-CG2 4.36Å; M143-I173 VanDerWaalsContact O-CG2 3.23Å; M143-I173 WeakPolarHBondContact O-CG2 3.29Å; R146-I173 HydrophobicContact CB-CD1 4.45Å; R146-I173 HydrophobicContact CG-CD1 3.84Å; A147-I173 HydrophobicContact CB-CB 4.15Å; A147-I173 HydrophobicContact CB-CD1 4.43Å; A147-I173 HydrophobicContact CB-CG2 4.08Å; W169-I173 HydrophobicContact CD2-CD1 4.37Å; W169-I173 HydrophobicContact CD2-CG1 4.37Å; W169-I173 HydrophobicContact CZ2-CD1 3.96Å; W169-I173 HydrophobicContact CZ2-CG1 3.96Å; W169-I173 PolarHBondContact O-N 3.14Å; S170-I173 PolarHBondContact O-N 3.42Å; I173-S175 PolarHBondContact O-N 2.94Å; I173-H176 PolarHBondContact O-N 3.39Å; I173-A177 PolarHBondContact O-N 3.47Å
174L98.9Very high98.7Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-62.9-30.1-179.2-71.7166.6000112.2V144 A147 S170 W172 H176 A177 V178 V448 Q451 I452V144-L174 HydrophobicContact CG2-CD2 4.21Å; A147-L174 HydrophobicContact CB-CD1 4.36Å; A147-L174 HydrophobicContact CB-CD2 4.12Å; A147-L174 HydrophobicContact CB-CG 3.88Å; S170-L174 WeakPolarHBondContact O-CB 3.46Å; S170-L174 WeakPolarHBondContact O-CD1 3.45Å; S170-L174 VanDerWaalsContact O-CG 3.22Å; S170-L174 WeakPolarHBondContact O-CG 3.5Å; S170-L174 PolarHBondContact O-N 3.27Å; W172-L174 VanDerWaalsContact C-N 3.35Å; W172-L174 PolarHBondContact O-N 3.38Å; L174-H176 VanDerWaalsContact C-N 3.29Å; L174-H176 PolarHBondContact O-N 2.68Å; L174-A177 PolarHBondContact O-N 3.29Å; L174-V178 WeakPolarHBondContact O-CB 3.16Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 2.91Å; L174-V448 HydrophobicContact CD1-CG1 3.81Å; L174-Q451 HydrophobicContact CD1-CB 3.95Å; L174-I452 HydrophobicContact CD1-CG1 3.96Å; L174-I452 HydrophobicContact CD2-CG1 4.13Å
175S98.9Very high98.8Very high60 Ų6024 Ų2442%0.4212%0.119SC..Hα-helixtrans-59.6-40.5176.582.10000112.4H171 W172 I173 A179H171-S175 PolarHBondContact O-N 3.35Å; W172-S175 WeakPolarHBondContact O-CB 3.25Å; W172-S175 PolarHBondContact O-N 3Å; W172-S175 PolarHBondContact O-OG 2.81Å; I173-S175 PolarHBondContact O-N 2.94Å; S175-A179 PolarHBondContact O-N 3.12Å
176H98.9Very high98.9Very high8 Ų824.1 Ų24.14%0.03712%0.116CC..Hα-helixtrans-77.1-40.6176.2-70.6-63.4000111.4M143 W172 I173 L174 V178 A179 L180 D259M143-H176 HydrophobicContact CE-CB 3.46Å; M143-H176 VanDerWaalsContact CE-CB 3.46Å; W172-H176 AromaticContact CE2-CD2 3.58Å; W172-H176 AromaticContact CE2-NE2 3.5Å; W172-H176 AromaticContact CH2-CD2 4Å; W172-H176 AromaticContact CZ2-CD2 3.5Å; W172-H176 VanDerWaalsContact CZ2-CD2 3.5Å; W172-H176 WeakPolarHBondContact CZ2-CD2 3.25Å; W172-H176 AromaticContact CZ2-NE2 3.43Å; W172-H176 WeakPolarHBondContact CZ2-NE2 3.33Å; W172-H176 AromaticContact NE1-CD2 3.9Å; W172-H176 AromaticContact NE1-NE2 3.47Å; W172-H176 PolarHBondContact NE1-NE2 2.83Å; I173-H176 PolarHBondContact O-N 3.39Å; L174-H176 VanDerWaalsContact C-N 3.29Å; L174-H176 PolarHBondContact O-N 2.68Å; H176-V178 VanDerWaalsContact C-N 3.33Å; H176-V178 PolarHBondContact O-N 3.45Å; H176-A179 WeakPolarHBondContact O-CB 3.46Å; H176-A179 PolarHBondContact O-N 3.17Å; H176-A179 VanDerWaalsContact O-N 3.17Å; H176-L180 WeakPolarHBondContact O-CG 3.44Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.09Å; H176-D259 IonicContact CE1-OD2 3.89Å; H176-D259 IonicContact NE2-OD2 2.94Å; H176-D259 PolarHBondContact NE2-OD2 3.01Å
177A98.9Very high98.9Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-58.9-44176.500000111.8I140 M143 V144 I173 L174 A179 L180 T181I140-A177 HydrophobicContact CG2-CB 4.4Å; M143-A177 HydrophobicContact CB-CB 4.08Å; M143-A177 HydrophobicContact CE-CB 4.16Å; M143-A177 HydrophobicContact SD-CB 4.31Å; V144-A177 HydrophobicContact CG2-CB 4.4Å; I173-A177 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.29Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.19Å; A177-L180 PolarHBondContact O-N 3Å; A177-L180 VanDerWaalsContact O-N 3.17Å; A177-T181 WeakPolarHBondContact O-CG2 3.43Å; A177-T181 PolarHBondContact O-N 3.31Å
178V98.9Very high98.9Very high48 Ų4824.8 Ų24.829%0.29112%0.12SC..Hα-helixtrans-63.8-37.3177.8171.10000111.3L174 H176 L180 T181 V455L174-V178 WeakPolarHBondContact O-CB 3.16Å; L174-V178 WeakPolarHBondContact O-CG2 3.26Å; L174-V178 PolarHBondContact O-N 2.91Å; H176-V178 VanDerWaalsContact C-N 3.33Å; H176-V178 PolarHBondContact O-N 3.45Å; V178-L180 VanDerWaalsContact C-N 3.35Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.13Å; V178-V455 HydrophobicContact CG2-CG2 3.82Å
179A98.9Very high98.9Very high8 Ų828.1 Ų28.17%0.06614%0.136CC..Hα-helixtrans-61.5-44.6173.200000112S175 H176 A177 T181 R182 D183 H252S175-A179 PolarHBondContact O-N 3.12Å; H176-A179 WeakPolarHBondContact O-CB 3.46Å; H176-A179 PolarHBondContact O-N 3.17Å; H176-A179 VanDerWaalsContact O-N 3.17Å; A177-A179 VanDerWaalsContact C-N 3.33Å; A177-A179 PolarHBondContact O-N 3.19Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.96Å; A179-R182 WeakPolarHBondContact O-CB 3.41Å; A179-R182 PolarHBondContact O-N 3.15Å; A179-R182 VanDerWaalsContact O-N 3.13Å; A179-D183 PolarHBondContact O-N 2.79Å; A179-H252 HydrophobicContact CB-CB 4.42Å
180L98.9Very high98.9Very high3 Ų328.5 Ų28.52%0.01614%0.139CC..Hα-helixtrans-67.4-29.4178.7-66.8172.5000113.1L136 L139 I140 M143 H176 A177 V178 R182 D183 S184 H252 L253L136-L180 HydrophobicContact CD1-CB 4.12Å; L136-L180 HydrophobicContact CD1-CD2 4.05Å; L139-L180 HydrophobicContact CD2-CD1 3.74Å; L139-L180 HydrophobicContact CG-CD1 4.09Å; I140-L180 HydrophobicContact CD1-CB 4.01Å; I140-L180 HydrophobicContact CG1-CB 3.73Å; M143-L180 HydrophobicContact CE-CD1 4.42Å; M143-L180 HydrophobicContact SD-CD1 3.71Å; H176-L180 WeakPolarHBondContact O-CG 3.44Å; H176-L180 PolarHBondContact O-N 2.84Å; H176-L180 VanDerWaalsContact O-N 3.09Å; A177-L180 PolarHBondContact O-N 3Å; A177-L180 VanDerWaalsContact O-N 3.17Å; V178-L180 VanDerWaalsContact C-N 3.35Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.16Å; L180-D183 PolarHBondContact O-N 3.24Å; L180-D183 VanDerWaalsContact O-N 3.14Å; L180-S184 PolarHBondContact O-N 2.99Å; L180-H252 HydrophobicContact CD2-CB 4.44Å; L180-L253 HydrophobicContact CD1-CD2 4.3Å; L180-L253 HydrophobicContact CD2-CD2 4.02Å; L180-L253 HydrophobicContact CD2-CG 4.3Å
181T98.9Very high98.8Very high7 Ų731.5 Ų31.54%0.04315%0.15CC..Hα-helixtrans-62.3-34171.662.60000112.6I140 A177 V178 A179 S184 E185 V455I140-T181 HydrophobicContact CD1-CG2 4.19Å; I140-T181 HydrophobicContact CG2-CG2 3.9Å; A177-T181 WeakPolarHBondContact O-CG2 3.43Å; A177-T181 PolarHBondContact O-N 3.31Å; V178-T181 PolarHBondContact O-N 3.05Å; V178-T181 PolarHBondContact O-OG1 3.13Å; A179-T181 VanDerWaalsContact C-N 3.33Å; A179-T181 PolarHBondContact O-N 2.96Å; T181-S184 WeakPolarHBondContact O-CB 3.22Å; T181-S184 PolarHBondContact O-N 3.01Å; T181-E185 PolarHBondContact O-N 2.88Å; T181-V455 HydrophobicContact CG2-CG1 3.82Å
182R98.9Very high98.8Very high104 Ų10437.2 Ų37.239%0.39217%0.174SC..Hα-helixtrans-71.3-33.1174-62.7-169.8-62.1-85.70.3111.9A179 L180 S184 R186A179-R182 WeakPolarHBondContact O-CB 3.41Å; A179-R182 PolarHBondContact O-N 3.15Å; A179-R182 VanDerWaalsContact O-N 3.13Å; L180-R182 VanDerWaalsContact C-N 3.26Å; L180-R182 PolarHBondContact O-N 3.16Å; R182-S184 VanDerWaalsContact C-N 3.32Å; R182-R186 WeakPolarHBondContact O-CB 3.48Å; R182-R186 WeakPolarHBondContact O-CG 3.44Å; R182-R186 PolarHBondContact O-N 3.28Å; R182-R186 PolarHBondContact O-NE 3.08Å
183D98.9Very high98.8Very high0 Ų041.7 Ų41.70%019%0.191CC..Hα-helixtrans-70.1-34.1173-59.6-32000111.4L136 A179 L180 R186 L187 W245 C249 H252L136-D183 HydrophobicContact CD2-CB 4.34Å; A179-D183 PolarHBondContact O-N 2.79Å; L180-D183 PolarHBondContact O-N 3.24Å; L180-D183 VanDerWaalsContact O-N 3.14Å; D183-R186 IonicContact OD1-CZ 3.35Å; D183-R186 IonicContact OD1-NE 2.67Å; D183-R186 PolarHBondContact OD1-NE 3.32Å; D183-R186 IonicContact OD1-NH2 3.58Å; D183-R186 PolarHBondContact OD1-NH2 3.03Å; D183-L187 PolarHBondContact O-N 3.45Å; D183-W245 PolarHBondContact O-NE1 3.4Å; D183-C249 HydrophobicContact CB-CB 4.2Å; D183-C249 WeakPolarHBondContact OD2-CA 3.48Å; D183-H252 IonicContact OD1-CE1 2.72Å; D183-H252 PolarHBondContact OD1-CE1 3.13Å; D183-H252 IonicContact OD1-ND1 3.94Å; D183-H252 PolarHBondContact OD1-ND1 3.49Å; D183-H252 IonicContact OD2-CE1 2.83Å; D183-H252 PolarHBondContact OD2-CE1 3.35Å; D183-H252 IonicContact OD2-CG 2.69Å; D183-H252 IonicContact OD2-ND1 3.15Å; D183-H252 PolarHBondContact OD2-ND1 3.31Å
184S98.9Very high98.8Very high0 Ų041.7 Ų41.70%019%0.191CC..Hα-helixtrans-65.4-45.9172.8-1710000111.5W137 L180 T181 R182 R186 L187 L188 Q462W137-S184 PolarHBondContact NE1-OG 3.47Å; L180-S184 PolarHBondContact O-N 2.99Å; T181-S184 WeakPolarHBondContact O-CB 3.22Å; T181-S184 PolarHBondContact O-N 3.01Å; R182-S184 VanDerWaalsContact C-N 3.32Å; S184-R186 PolarHBondContact O-N 3.06Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 2.87Å; S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.17Å; S184-L188 VanDerWaalsContact O-N 3.08Å; S184-Q462 PolarHBondContact OG-OE1 3.25Å
185E98.8Very high98.8Very high103 Ų10343.7 Ų43.748%0.48120%0.202SC..Hα-helixtrans-56.4-50.2173.5-177.9177-167.200111.4T181 L187 L188 E189T181-E185 PolarHBondContact O-N 2.88Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.28Å; E185-L188 WeakPolarHBondContact O-CB 3.16Å; E185-L188 PolarHBondContact O-N 3.27Å; E185-L188 VanDerWaalsContact O-N 3.1Å; E185-E189 WeakPolarHBondContact O-CG 3.19Å; E185-E189 PolarHBondContact O-N 3.17Å; E185-E189 VanDerWaalsContact O-N 3.08Å
186R98.9Very high98.8Very high66 Ų6642.4 Ų42.425%0.24919%0.191CC..Hα-helixtrans-56.9-41.4175.7-81.7-176-83.5-90.24.1112.7R182 D183 S184 L188 E189 V190R182-R186 WeakPolarHBondContact O-CB 3.48Å; R182-R186 WeakPolarHBondContact O-CG 3.44Å; R182-R186 PolarHBondContact O-N 3.28Å; R182-R186 PolarHBondContact O-NE 3.08Å; D183-R186 IonicContact OD1-CZ 3.35Å; D183-R186 IonicContact OD1-NE 2.67Å; D183-R186 PolarHBondContact OD1-NE 3.32Å; D183-R186 IonicContact OD1-NH2 3.58Å; D183-R186 PolarHBondContact OD1-NH2 3.03Å; S184-R186 PolarHBondContact O-N 3.06Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 2.96Å; R186-E189 PolarHBondContact O-N 3.43Å; R186-V190 WeakPolarHBondContact O-CG2 3.23Å; R186-V190 PolarHBondContact O-N 3.32Å
187L98.8Very high98.8Very high0 Ų042 Ų420%019%0.19CC..Hα-helixtrans-62.4-41.3178-17456.8000111.4C129 L132 S133 D183 S184 E185 E189 V190 R191 W245C129-L187 HydrophobicContact CB-CD1 4.08Å; L132-L187 HydrophobicContact CB-CD2 4.08Å; S133-L187 WeakPolarHBondContact OG-CD2 3.29Å; D183-L187 PolarHBondContact O-N 3.45Å; S184-L187 WeakPolarHBondContact O-CB 3.44Å; S184-L187 PolarHBondContact O-N 2.87Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.28Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.16Å; L187-V190 PolarHBondContact O-N 3.11Å; L187-R191 WeakPolarHBondContact O-CB 3.31Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.33Å; L187-R191 PolarHBondContact O-N 2.95Å; L187-W245 HydrophobicContact CB-CD2 4.5Å; L187-W245 HydrophobicContact CB-CZ2 4.24Å; L187-W245 HydrophobicContact CD1-CD2 3.89Å; L187-W245 HydrophobicContact CD1-CE3 4.08Å; L187-W245 HydrophobicContact CD1-CG 4.47Å; L187-W245 HydrophobicContact CD1-CH2 4.25Å; L187-W245 HydrophobicContact CD1-CZ2 4.04Å; L187-W245 HydrophobicContact CD1-CZ3 4.27Å; L187-W245 HydrophobicContact CD2-CH2 4.09Å; L187-W245 HydrophobicContact CD2-CZ2 3.66Å; L187-W245 HydrophobicContact CG-CZ2 4.19Å
188L98.5Very high98.8Very high40 Ų4042 Ų4221%0.20919%0.19CC..Hα-helixtrans-63.9-36.9177.2-65.9173.3000112W137 S184 E185 R186 K192 Q462W137-L188 HydrophobicContact CZ2-CD1 4.38Å; W137-L188 HydrophobicContact CZ2-CD2 4.12Å; S184-L188 WeakPolarHBondContact O-CG 3.31Å; S184-L188 PolarHBondContact O-N 3.17Å; S184-L188 VanDerWaalsContact O-N 3.08Å; E185-L188 WeakPolarHBondContact O-CB 3.16Å; E185-L188 PolarHBondContact O-N 3.27Å; E185-L188 VanDerWaalsContact O-N 3.1Å; R186-L188 VanDerWaalsContact C-N 3.32Å; R186-L188 PolarHBondContact O-N 2.96Å; L188-K192 PolarHBondContact O-N 3.36Å; L188-Q462 HydrophobicContact CD1-CB 3.74Å; L188-Q462 HydrophobicContact CD1-CG 3.6Å
189E98.7Very high98.8Very high86 Ų8639.9 Ų39.940%0.40218%0.176SC..Hα-helixtrans-66.5-46.1174.4-64.5176.3144.600112.1E185 R186 L187 R191 K192E185-E189 WeakPolarHBondContact O-CG 3.19Å; E185-E189 PolarHBondContact O-N 3.17Å; E185-E189 VanDerWaalsContact O-N 3.08Å; R186-E189 PolarHBondContact O-N 3.43Å; L187-E189 VanDerWaalsContact C-N 3.3Å; L187-E189 PolarHBondContact O-N 3.16Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.02Å; E189-K192 WeakPolarHBondContact O-CB 3.4Å; E189-K192 PolarHBondContact O-N 3.49Å
190V98.8Very high98.8Very high8 Ų839.6 Ų39.65%0.04818%0.175CC..Hα-helixtrans-59.9-42175.7171.70000110.6R186 L187 K192 R193 I194 E241 F242R186-V190 WeakPolarHBondContact O-CG2 3.23Å; R186-V190 PolarHBondContact O-N 3.32Å; L187-V190 PolarHBondContact O-N 3.11Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 2.96Å; V190-R193 PolarHBondContact O-N 2.76Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.28Å; V190-E241 HydrophobicContact CG1-CB 4.35Å; V190-E241 HydrophobicContact CG2-CB 4.06Å; V190-F242 HydrophobicContact CG1-CB 4.46Å
191R98.5Very high98.8Very high62 Ų6239.6 Ų39.623%0.23418%0.175CC..Hα-helixtrans-57.6-35.6177-78.6178.368.9-175.8-0.3113.2C129 S130 S133 L187 E189 R193 I194 N195C129-R191 HydrophobicContact CB-CG 3.52Å; S130-R191 PolarHBondContact OG-NH2 3.14Å; S133-R191 PolarHBondContact OG-NH1 3.46Å; S133-R191 VanDerWaalsContact OG-NH1 3.14Å; L187-R191 WeakPolarHBondContact O-CB 3.31Å; L187-R191 VanDerWaalsContact O-CG 3.25Å; L187-R191 WeakPolarHBondContact O-CG 3.33Å; L187-R191 PolarHBondContact O-N 2.95Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 3.02Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-I194 PolarHBondContact O-N 3.08Å; R191-N195 WeakPolarHBondContact O-CB 3.22Å; R191-N195 PolarHBondContact O-N 3.45Å
192K98.5Very high98.7Very high163 Ų16339.4 Ų39.471%0.70917%0.174SC*.Hα-helixtrans-62.5-41.9176-70178.7-179.7177.20111.5L188 E189 V190 N195L188-K192 PolarHBondContact O-N 3.36Å; E189-K192 WeakPolarHBondContact O-CB 3.4Å; E189-K192 PolarHBondContact O-N 3.49Å; V190-K192 VanDerWaalsContact C-N 3.26Å; V190-K192 PolarHBondContact O-N 2.96Å; K192-N195 PolarHBondContact O-N 3.26Å
193R98.8Very high98.7Very high109 Ų10936.7 Ų36.741%0.41117%0.174SC..Hα-helixtrans-77.1-28.6179.8-70.1-177.5-66.4-82.9-2.2113.2R122 V190 R191 N195 E241R122-R193 PolarHBondContact NH1-O 3.02Å; V190-R193 PolarHBondContact O-N 2.76Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R193-N195 VanDerWaalsContact C-N 3.32Å; R193-E241 IonicContact CZ-OE1 2.85Å; R193-E241 IonicContact CZ-OE2 2.77Å; R193-E241 VanDerWaalsContact CZ-OE2 3.25Å; R193-E241 VanDerWaalsContact NE-CD 3.31Å; R193-E241 IonicContact NE-OE1 3.46Å; R193-E241 PolarHBondContact NE-OE1 3.09Å; R193-E241 IonicContact NE-OE2 3.63Å; R193-E241 PolarHBondContact NE-OE2 3.43Å; R193-E241 IonicContact NH2-OE1 3.94Å; R193-E241 PolarHBondContact NH2-OE1 2.96Å; R193-E241 IonicContact NH2-OE2 3.52Å; R193-E241 PolarHBondContact NH2-OE2 3.46Å
194I98.8Very high98.7Very high0 Ų040.3 Ų40.30%019%0.193CC..Hα-helixtrans-62.4-40.6167.3-69.4167.3000110.6R122 M125 R126 V190 R191 V196 F238R122-I194 HydrophobicContact CB-CG2 4.41Å; R122-I194 PolarHBondContact NH1-O 2.84Å; R122-I194 WeakPolarHBondContact O-CG2 3.41Å; M125-I194 HydrophobicContact CB-CD1 4.22Å; M125-I194 HydrophobicContact CB-CG2 4.12Å; M125-I194 HydrophobicContact CE-CD1 4.05Å; R126-I194 HydrophobicContact CB-CG2 4.19Å; V190-I194 HydrophobicContact CG1-CD1 3.76Å; V190-I194 HydrophobicContact CG1-CG1 4.25Å; V190-I194 WeakPolarHBondContact O-CG1 3.4Å; V190-I194 PolarHBondContact O-N 3.28Å; R191-I194 PolarHBondContact O-N 3.08Å; I194-V196 PolarHBondContact O-N 3.49Å; I194-F238 HydrophobicContact CG1-CB 3.99Å; I194-F238 HydrophobicContact CG1-CD2 4.33Å
195N98.8Very high98.7Very high42 Ų4244.6 Ų44.623%0.22523%0.228CC..SBendtrans-79.745.3-173.4-160.437.9000114.5R126 R191 K192 R193 F222 G223R126-N195 VanDerWaalsContact CD-OD1 3.26Å; R126-N195 WeakPolarHBondContact CD-OD1 3.33Å; R191-N195 WeakPolarHBondContact O-CB 3.22Å; R191-N195 PolarHBondContact O-N 3.45Å; K192-N195 PolarHBondContact O-N 3.26Å; R193-N195 VanDerWaalsContact C-N 3.32Å; N195-F222 WeakPolarHBondContact OD1-CA 3.33Å; N195-G223 PolarHBondContact ND2-N 3.38Å; N195-G223 VanDerWaalsContact ND2-N 3.18Å; N195-G223 PolarHBondContact O-N 3.41Å
196V98.9Very high98.7Very high34 Ų3440.8 Ų40.821%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-119.1126170.4-174.50000109.3R122 I194 P198 A224 I225 T226R122-V196 WeakPolarHBondContact CD-O 3.43Å; R122-V196 PolarHBondContact NH1-O 2.79Å; R122-V196 VanDerWaalsContact NH1-O 3.1Å; I194-V196 PolarHBondContact O-N 3.49Å; V196-P198 WeakPolarHBondContact O-CD 3.22Å; V196-A224 HydrophobicContact CG1-CB 4.38Å; V196-I225 VanDerWaalsContact CG1-C 3.43Å; V196-T226 HydrophobicContact CG1-CG2 3.83Å
197L98.9Very high98.7Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-75128.2-175-178.778.1000110.7T119 L199 R213 L216 R217 L220 F222 A224 I225 T226T119-L197 HydrophobicContact CG2-CD1 4.14Å; L197-L199 HydrophobicContact CD1-CB 3.82Å; L197-L199 HydrophobicContact CD2-CB 4.23Å; L197-L199 HydrophobicContact CG-CB 4.02Å; L197-R213 VanDerWaalsContact C-NH2 3.34Å; L197-R213 PolarHBondContact O-NH2 3.14Å; L197-L216 HydrophobicContact CD2-CB 3.69Å; L197-R217 HydrophobicContact CD2-CB 3.99Å; L197-L220 HydrophobicContact CD1-CB 4.41Å; L197-L220 HydrophobicContact CD1-CD1 3.7Å; L197-F222 HydrophobicContact CB-CB 3.75Å; L197-F222 HydrophobicContact CB-CD1 4.08Å; L197-F222 HydrophobicContact CB-CD2 3.99Å; L197-F222 HydrophobicContact CB-CG 3.69Å; L197-F222 HydrophobicContact CD1-CD2 3.4Å; L197-F222 HydrophobicContact CD1-CE2 3.49Å; L197-F222 VanDerWaalsContact CD1-CE2 3.49Å; L197-F222 HydrophobicContact CD1-CG 4.02Å; L197-F222 HydrophobicContact CD1-CZ 4.21Å; L197-F222 HydrophobicContact CG-CD2 4.3Å; L197-F222 HydrophobicContact CG-CG 4.48Å; L197-F222 VanDerWaalsContact N-CD1 3.32Å; L197-A224 PolarHBondContact N-O 3.28Å; L197-I225 HydrophobicContact CB-CG2 4.44Å; L197-I225 HydrophobicContact CD2-CG2 4.32Å; L197-T226 WeakPolarHBondContact O-CG2 3.48Å; L197-T226 PolarHBondContact O-N 3.21Å; L197-T226 PolarHBondContact O-OG1 3.44Å
198P98.8Very high98.6Very high0 Ų043.9 Ų43.90%024%0.244CC..  trans-96.8-20.5170.435.6-31.7000114V118 T119 V196 G200 S201 R213 T226 A232V118-P198 HydrophobicContact CB-CB 4.43Å; V118-P198 HydrophobicContact CB-CG 4.03Å; V118-P198 HydrophobicContact CG1-CB 4.22Å; V118-P198 HydrophobicContact CG1-CG 3.88Å; T119-P198 WeakPolarHBondContact OG1-CG 3.39Å; V196-P198 WeakPolarHBondContact O-CD 3.22Å; P198-G200 PolarHBondContact O-N 2.93Å; P198-S201 VanDerWaalsContact O-CB 3.3Å; P198-S201 WeakPolarHBondContact O-CB 3.41Å; P198-S201 PolarHBondContact O-N 3.47Å; P198-S201 PolarHBondContact O-OG 2.92Å; P198-R213 VanDerWaalsContact C-NH2 3.3Å; P198-R213 PolarHBondContact O-NH2 2.88Å; P198-T226 HydrophobicContact CB-CG2 4.2Å; P198-A232 HydrophobicContact CB-CB 4.08Å
199L98.9Very high98.6Very high2 Ų245.6 Ų45.61%0.0125%0.253CS..THydrogen-bonded Turntrans-55.2126.3-177.9-167.263.2000113.3Y45 R111 T119 L197 R213 L216 L220Y45-L199 HydrophobicContact CD2-CD1 4.22Å; Y45-L199 HydrophobicContact CD2-CD2 4.08Å; Y45-L199 HydrophobicContact CD2-CG 4.13Å; R111-L199 HydrophobicContact CG-CD1 4.39Å; T119-L199 HydrophobicContact CG2-CB 4.02Å; T119-L199 HydrophobicContact CG2-CD2 4.47Å; T119-L199 WeakPolarHBondContact OG1-CA 3.45Å; T119-L199 VanDerWaalsContact OG1-CB 3.3Å; T119-L199 WeakPolarHBondContact OG1-CB 3.43Å; T119-L199 PolarHBondContact OG1-N 3.32Å; L197-L199 HydrophobicContact CD1-CB 3.82Å; L197-L199 HydrophobicContact CD2-CB 4.23Å; L197-L199 HydrophobicContact CG-CB 4.02Å; L199-R213 PolarHBondContact O-NE 2.69Å; L199-R213 PolarHBondContact O-NH2 3.29Å; L199-L216 HydrophobicContact CD2-CD1 4.24Å; L199-L216 HydrophobicContact CD2-CD2 4.17Å; L199-L216 HydrophobicContact CG-CD1 4.17Å; L199-L220 HydrophobicContact CD2-CD1 3.97Å
200G98.6Very high98.5Very high3 Ų344.6 Ų44.63%0.03127%0.266CS..THydrogen-bonded Turntrans104.15-171.300000113.2D115 P198 G202 N207D115-G200 PolarHBondContact OD2-N 2.93Å; P198-G200 PolarHBondContact O-N 2.93Å; G200-G202 VanDerWaalsContact C-N 3.34Å; G200-N207 WeakPolarHBondContact O-CB 3.33Å; G200-N207 PolarHBondContact O-N 3.17Å
201S98.8Very high98.4Very high2 Ų244.7 Ų44.71%0.01427%0.266CS..  trans-85.4-10.7173-59.20000112.6D115 P198 G206 A232D115-S201 PolarHBondContact OD2-N 3.41Å; D115-S201 VanDerWaalsContact OD2-N 3.12Å; P198-S201 VanDerWaalsContact O-CB 3.3Å; P198-S201 WeakPolarHBondContact O-CB 3.41Å; P198-S201 PolarHBondContact O-N 3.47Å; P198-S201 PolarHBondContact O-OG 2.92Å; S201-G206 CarbonylContact O-C 3.53Å; S201-G206 WeakPolarHBondContact O-CA 3.39Å; S201-G206 PolarHBondContact O-N 3.43Å; S201-A232 WeakPolarHBondContact OG-CB 3.31Å
202G98.3Very high98.4Very high3 Ų344.3 Ų44.33%0.03127%0.269CS..THydrogen-bonded Turntrans59.3-148.2-179.300000111.5S112 D115 G200 T233S112-G202 WeakPolarHBondContact CB-O 3.43Å; D115-G202 WeakPolarHBondContact CB-O 3.47Å; D115-G202 VanDerWaalsContact CG-N 3.3Å; D115-G202 PolarHBondContact OD2-N 3.34Å; G200-G202 VanDerWaalsContact C-N 3.34Å; G202-T233 WeakPolarHBondContact O-CG2 3.46Å
203A98.2Very high98.5Very high48 Ų4838.5 Ų38.540%0.39724%0.242SC..THydrogen-bonded Turntrans-75.8-31.3-178.600000113.3S112 N114S112-A203 VanDerWaalsContact CB-CA 3.49Å; S112-A203 VanDerWaalsContact CB-N 3.31Å; S112-A203 WeakPolarHBondContact OG-CA 3.49Å; N114-A203 PolarHBondContact ND2-O 2.94Å
204I98.6Very high98.5Very high76 Ų7637.2 Ų37.239%0.3924%0.241SC..THydrogen-bonded Turntrans-169-41.2-173-179170.3000112.4S229 M230 T320I204-S229 CarbonylContact O-C 3.6Å; I204-S229 VanDerWaalsContact O-CB 3.26Å; I204-S229 WeakPolarHBondContact O-CB 3.35Å; I204-S229 PolarHBondContact O-OG 2.89Å; I204-M230 HydrophobicContact CG1-CG 3.89Å; I204-M230 PolarHBondContact O-N 3.09Å; I204-T320 HydrophobicContact CD1-CG2 4.42Å; I204-T320 WeakPolarHBondContact CD1-OG1 3.45Å; I204-T320 HydrophobicContact CG1-CG2 4.14Å
205A98.5Very high98.4Very high89 Ų8938.9 Ų38.974%0.73625%0.25SC*.THydrogen-bonded Turntrans-106.612.9-164.900000114.7
206G98.6Very high98.4Very high24 Ų2436.9 Ų36.925%0.24724%0.239CC..  trans93.9173.7-174.600000113.2S201 S229S201-G206 CarbonylContact O-C 3.53Å; S201-G206 WeakPolarHBondContact O-CA 3.39Å; S201-G206 PolarHBondContact O-N 3.43Å; G206-S229 PolarHBondContact N-OG 3.16Å
207N98.6Very high98.4Very high26 Ų2639.2 Ų39.214%0.13924%0.244CC..  trans-76.2122.9174.3-176.8-83.1000110.6Y45 G110 G200 L209 G210 V211Y45-N207 PolarHBondContact OH-ND2 3.24Å; Y45-N207 VanDerWaalsContact OH-ND2 3.13Å; G110-N207 PolarHBondContact O-ND2 3.45Å; G200-N207 WeakPolarHBondContact O-CB 3.33Å; G200-N207 PolarHBondContact O-N 3.17Å; N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.08Å; N207-L209 WeakPolarHBondContact OD1-CA 3.47Å; N207-L209 PolarHBondContact OD1-N 3.21Å; N207-G210 PolarHBondContact OD1-N 3.48Å; N207-V211 HydrophobicContact CB-CG2 3.82Å; N207-V211 WeakPolarHBondContact ND2-CG2 3.48Å; N207-V211 PolarHBondContact OD1-N 3.44Å
208P98.1Very high98.4Very high105 Ų10541.4 Ų41.468%0.68226%0.262SS*.THydrogen-bonded Turntrans-80.8-5.3-173.930-32.3000114.2
209L98.3Very high98.4Very high75 Ų7544.6 Ų44.639%0.39328%0.277SS..THydrogen-bonded Turntrans-114.511.3-170.8-53.8174.8000112.9L54 T109 N207 V211L54-L209 HydrophobicContact CD1-CB 3.79Å; L54-L209 HydrophobicContact CD1-CD1 3.73Å; L54-L209 HydrophobicContact CD1-CG 4.39Å; L54-L209 HydrophobicContact CD2-CD1 4.28Å; T109-L209 HydrophobicContact CG2-CD1 3.35Å; N207-L209 VanDerWaalsContact C-N 3.28Å; N207-L209 PolarHBondContact O-N 3.08Å; N207-L209 WeakPolarHBondContact OD1-CA 3.47Å; N207-L209 PolarHBondContact OD1-N 3.21Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.9Å
210G96Very high98.4Very high66 Ų6644.6 Ų44.668%0.6828%0.277SS*.  trans66.630.3173.400000114.3N207 D212N207-G210 PolarHBondContact OD1-N 3.48Å; G210-D212 PolarHBondContact O-N 3.46Å
211V97.8Very high98.4Very high9 Ų950 Ų506%0.05531%0.306CS..  trans-60.2137.6171.5-55.90000110.2Y45 L49 A52 L54 N207 L209 R213 L216Y45-V211 HydrophobicContact CE2-CG2 4.38Å; L49-V211 HydrophobicContact CD2-CG1 4.07Å; A52-V211 HydrophobicContact CB-CG1 4.16Å; L54-V211 HydrophobicContact CD1-CG1 4.45Å; N207-V211 HydrophobicContact CB-CG2 3.82Å; N207-V211 WeakPolarHBondContact ND2-CG2 3.48Å; N207-V211 PolarHBondContact OD1-N 3.44Å; L209-V211 VanDerWaalsContact C-N 3.34Å; L209-V211 PolarHBondContact O-N 2.9Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 VanDerWaalsContact O-N 3.16Å; V211-L216 HydrophobicContact CG2-CD1 4.12Å
212D98.5Very high98.4Very high54 Ų5450.3 Ų50.329%0.28931%0.307SS..  trans-73.7107.7-177.2-176.4-16.6000110.9K51 G210 E214 L215 L216K51-D212 HydrophobicContact CD-CB 4.32Å; K51-D212 WeakPolarHBondContact CE-OD2 3.4Å; K51-D212 IonicContact NZ-OD2 3.57Å; K51-D212 PolarHBondContact NZ-OD2 3.32Å; G210-D212 PolarHBondContact O-N 3.46Å; D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.38Å; D212-E214 WeakPolarHBondContact OD1-CA 3.36Å; D212-E214 WeakPolarHBondContact OD1-CB 3.47Å; D212-E214 PolarHBondContact OD1-N 3.05Å; D212-L215 HydrophobicContact CB-CB 3.93Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.38Å; D212-L215 PolarHBondContact OD1-N 3.05Å; D212-L215 VanDerWaalsContact OD1-N 3.07Å; D212-L216 WeakPolarHBondContact O-CG 3.48Å; D212-L216 PolarHBondContact O-N 2.84Å
213R98.8Very high98.4Very high41 Ų4153 Ų5316%0.15533%0.334CS..Hα-helixtrans-67.6-27.8179-68.4-143.862.2-156-13.8113.6L197 P198 L199 V211 L216 R217 I225 T226L197-R213 VanDerWaalsContact C-NH2 3.34Å; L197-R213 PolarHBondContact O-NH2 3.14Å; P198-R213 VanDerWaalsContact C-NH2 3.3Å; P198-R213 PolarHBondContact O-NH2 2.88Å; L199-R213 PolarHBondContact O-NE 2.69Å; L199-R213 PolarHBondContact O-NH2 3.29Å; V211-R213 PolarHBondContact O-N 2.87Å; V211-R213 VanDerWaalsContact O-N 3.16Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-R217 WeakPolarHBondContact O-CB 3.21Å; R213-R217 PolarHBondContact O-N 3.18Å; R213-I225 HydrophobicContact CB-CD1 4.29Å; R213-I225 HydrophobicContact CB-CG2 4.28Å; R213-T226 PolarHBondContact NH1-OG1 3.42Å
214E98.8Very high98.5Very high82 Ų8252.8 Ų52.838%0.38333%0.333SS..Hα-helixtrans-74.8-34.7176.6-71.3-63.1170.800111.7D212 R217 A218D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.38Å; D212-E214 WeakPolarHBondContact OD1-CA 3.36Å; D212-E214 WeakPolarHBondContact OD1-CB 3.47Å; D212-E214 PolarHBondContact OD1-N 3.05Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE2-CZ 3.78Å; E214-R217 IonicContact OE2-NE 3.2Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH2 3.58Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; E214-A218 WeakPolarHBondContact O-CB 3.41Å; E214-A218 PolarHBondContact O-N 2.67Å
215L98.7Very high98.5Very high35 Ų3551.4 Ų51.418%0.18333%0.325CS..Hα-helixtrans-58.7-51.4167.9171.965.5000110.4K51 D212 R217 A218 E219K51-L215 HydrophobicContact CB-CD2 3.84Å; K51-L215 HydrophobicContact CD-CB 4.37Å; K51-L215 HydrophobicContact CD-CD2 3.53Å; K51-L215 HydrophobicContact CD-CG 4.42Å; K51-L215 HydrophobicContact CG-CD2 4.31Å; D212-L215 HydrophobicContact CB-CB 3.93Å; D212-L215 WeakPolarHBondContact O-CB 3.38Å; D212-L215 PolarHBondContact O-N 3.38Å; D212-L215 PolarHBondContact OD1-N 3.05Å; D212-L215 VanDerWaalsContact OD1-N 3.07Å; L215-R217 PolarHBondContact O-N 2.94Å; L215-A218 PolarHBondContact O-N 3.12Å; L215-E219 HydrophobicContact CD1-CG 3.92Å; L215-E219 HydrophobicContact CG-CG 4.24Å; L215-E219 WeakPolarHBondContact O-CB 3.42Å; L215-E219 WeakPolarHBondContact O-CG 3.43Å; L215-E219 PolarHBondContact O-N 2.86Å
216L98.9Very high98.5Very high0 Ų047.8 Ų47.80%029%0.294CS..Hα-helixtrans-59.4-38.5-179.8-64.3173.3000111.7A44 Y45 L197 L199 V211 D212 R213 E219 L220A44-L216 WeakPolarHBondContact O-CD2 3.23Å; Y45-L216 HydrophobicContact CD2-CD1 4.29Å; Y45-L216 HydrophobicContact CD2-CD2 4.29Å; L197-L216 HydrophobicContact CD2-CB 3.69Å; L199-L216 HydrophobicContact CD2-CD1 4.24Å; L199-L216 HydrophobicContact CD2-CD2 4.17Å; L199-L216 HydrophobicContact CG-CD1 4.17Å; V211-L216 HydrophobicContact CG2-CD1 4.12Å; D212-L216 WeakPolarHBondContact O-CG 3.48Å; D212-L216 PolarHBondContact O-N 2.84Å; R213-L216 PolarHBondContact O-N 3.01Å; L216-E219 PolarHBondContact O-N 2.88Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.08Å
217R98.8Very high98.5Very high84 Ų8455.1 Ų55.132%0.31733%0.327SS..Hα-helixtrans-63.6-44.6177.4-178.4-87-60.1169.1-2.4111.5L197 R213 E214 L215 N221 F222 I225L197-R217 HydrophobicContact CD2-CB 3.99Å; R213-R217 WeakPolarHBondContact O-CB 3.21Å; R213-R217 PolarHBondContact O-N 3.18Å; E214-R217 PolarHBondContact O-N 3.13Å; E214-R217 IonicContact OE2-CZ 3.78Å; E214-R217 IonicContact OE2-NE 3.2Å; E214-R217 PolarHBondContact OE2-NE 3.34Å; E214-R217 IonicContact OE2-NH2 3.58Å; E214-R217 PolarHBondContact OE2-NH2 3.43Å; L215-R217 PolarHBondContact O-N 2.94Å; R217-N221 PolarHBondContact O-N 3.49Å; R217-N221 VanDerWaalsContact O-N 3.07Å; R217-F222 WeakPolarHBondContact CD-O 3.36Å; R217-F222 HydrophobicContact CG-CB 4.04Å; R217-F222 PolarHBondContact O-N 2.95Å; R217-I225 HydrophobicContact CB-CG2 3.66Å; R217-I225 HydrophobicContact CG-CG2 3.91Å
218A98.8Very high98.5Very high46 Ų4657.7 Ų57.738%0.3834%0.341SS..Hα-helixtrans-66.1-47.1176.100000112E214 L215 L220 N221E214-A218 WeakPolarHBondContact O-CB 3.41Å; E214-A218 PolarHBondContact O-N 2.67Å; L215-A218 PolarHBondContact O-N 3.12Å; A218-L220 VanDerWaalsContact C-N 3.29Å; A218-L220 PolarHBondContact O-N 3.47Å; A218-N221 PolarHBondContact O-N 2.93Å; A218-N221 VanDerWaalsContact O-N 3.09Å; A218-N221 PolarHBondContact O-OD1 3.2Å
219E98.5Very high98.5Very high66 Ų6654 Ų5431%0.30832%0.317SS..Hα-helixtrans-57.3-40.7179.2-78.2-71.8146.200112.8A44 R47 L215 L216A44-E219 HydrophobicContact CB-CB 3.74Å; R47-E219 WeakPolarHBondContact CD-OE1 3.24Å; R47-E219 WeakPolarHBondContact CD-OE2 3.29Å; R47-E219 IonicContact CZ-OE2 2.69Å; R47-E219 IonicContact NE-OE2 3.44Å; R47-E219 IonicContact NH1-OE2 2.73Å; R47-E219 PolarHBondContact NH1-OE2 2.93Å; L215-E219 HydrophobicContact CD1-CG 3.92Å; L215-E219 HydrophobicContact CG-CG 4.24Å; L215-E219 WeakPolarHBondContact O-CB 3.42Å; L215-E219 WeakPolarHBondContact O-CG 3.43Å; L215-E219 PolarHBondContact O-N 2.86Å; L216-E219 PolarHBondContact O-N 2.88Å
220L98.8Very high98.6Very high2 Ų254.3 Ų54.31%0.0132%0.318CS..THydrogen-bonded Turntrans-93.43.5-179.4-65.2176.5000113.5Q40 A44 T119 L123 R126 L197 L199 L216 A218 F222Q40-L220 HydrophobicContact CG-CD2 3.88Å; A44-L220 HydrophobicContact CB-CD1 4.01Å; A44-L220 HydrophobicContact CB-CD2 3.55Å; A44-L220 HydrophobicContact CB-CG 3.54Å; T119-L220 HydrophobicContact CG2-CD1 3.99Å; L123-L220 HydrophobicContact CD1-CD1 4.4Å; L123-L220 HydrophobicContact CD1-CD2 4.23Å; R126-L220 PolarHBondContact NH1-O 2.87Å; R126-L220 PolarHBondContact NH2-O 2.83Å; L197-L220 HydrophobicContact CD1-CB 4.41Å; L197-L220 HydrophobicContact CD1-CD1 3.7Å; L199-L220 HydrophobicContact CD2-CD1 3.97Å; L216-L220 WeakPolarHBondContact O-CB 3.16Å; L216-L220 PolarHBondContact O-N 2.88Å; L216-L220 VanDerWaalsContact O-N 3.08Å; A218-L220 VanDerWaalsContact C-N 3.29Å; A218-L220 PolarHBondContact O-N 3.47Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 HydrophobicContact CB-CD2 3.57Å; L220-F222 HydrophobicContact CB-CE2 3.82Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 PolarHBondContact O-N 2.92Å
221N98.6Very high98.7Very high118 Ų11855 Ų5563%0.63131%0.306SS*.THydrogen-bonded Turntrans52.740.8-179.3-64.7-60.6000113.8R126 R217 A218R126-N221 PolarHBondContact NH1-O 3.42Å; R217-N221 PolarHBondContact O-N 3.49Å; R217-N221 VanDerWaalsContact O-N 3.07Å; A218-N221 PolarHBondContact O-N 2.93Å; A218-N221 VanDerWaalsContact O-N 3.09Å; A218-N221 PolarHBondContact O-OD1 3.2Å
222F98.8Very high98.8Very high8 Ų854.6 Ų54.64%0.03530%0.303CS..  trans-79.5152.9171.2-84.3-92.8000111.1R122 L123 N195 L197 R217 L220R122-F222 HydrophobicContact CB-CE1 4.16Å; R122-F222 HydrophobicContact CB-CZ 4.25Å; L123-F222 HydrophobicContact CD1-CE2 4.49Å; L123-F222 HydrophobicContact CD2-CD2 4.49Å; L123-F222 HydrophobicContact CD2-CE2 3.55Å; L123-F222 HydrophobicContact CD2-CZ 3.94Å; L123-F222 HydrophobicContact CG-CE2 3.73Å; L123-F222 HydrophobicContact CG-CZ 3.81Å; N195-F222 WeakPolarHBondContact OD1-CA 3.33Å; L197-F222 HydrophobicContact CB-CB 3.75Å; L197-F222 HydrophobicContact CB-CD1 4.08Å; L197-F222 HydrophobicContact CB-CD2 3.99Å; L197-F222 HydrophobicContact CB-CG 3.69Å; L197-F222 HydrophobicContact CD1-CD2 3.4Å; L197-F222 HydrophobicContact CD1-CE2 3.49Å; L197-F222 VanDerWaalsContact CD1-CE2 3.49Å; L197-F222 HydrophobicContact CD1-CG 4.02Å; L197-F222 HydrophobicContact CD1-CZ 4.21Å; L197-F222 HydrophobicContact CG-CD2 4.3Å; L197-F222 HydrophobicContact CG-CG 4.48Å; L197-F222 VanDerWaalsContact N-CD1 3.32Å; R217-F222 WeakPolarHBondContact CD-O 3.36Å; R217-F222 HydrophobicContact CG-CB 4.04Å; R217-F222 PolarHBondContact O-N 2.95Å; L220-F222 VanDerWaalsContact C-N 3.28Å; L220-F222 HydrophobicContact CB-CD2 3.57Å; L220-F222 HydrophobicContact CB-CE2 3.82Å; L220-F222 HydrophobicContact CD1-CE2 4.33Å; L220-F222 PolarHBondContact O-N 2.92Å
223G98.4Very high98.8Very high59 Ų5952 Ų5261%0.60829%0.29SS*.SBendtrans-77.3-26.9-178.100000113.8N195N195-G223 PolarHBondContact ND2-N 3.38Å; N195-G223 VanDerWaalsContact ND2-N 3.18Å; N195-G223 PolarHBondContact O-N 3.41Å
224A98.8Very high98.8Very high44 Ų4451.5 Ų51.536%0.36429%0.292SS..EExtended strand (participates in β ladder)trans-157.6175178.300000110.5V196 L197V196-A224 HydrophobicContact CG1-CB 4.38Å; L197-A224 PolarHBondContact N-O 3.28Å
225I98.9Very high98.8Very high46 Ų4648.6 Ų48.624%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-102.4151.9167.459.7174.7000110.6V196 L197 R213 R217V196-I225 VanDerWaalsContact CG1-C 3.43Å; L197-I225 HydrophobicContact CB-CG2 4.44Å; L197-I225 HydrophobicContact CD2-CG2 4.32Å; R213-I225 HydrophobicContact CB-CD1 4.29Å; R213-I225 HydrophobicContact CB-CG2 4.28Å; R217-I225 HydrophobicContact CB-CG2 3.66Å; R217-I225 HydrophobicContact CG-CG2 3.91Å
226T98.9Very high98.8Very high14 Ų1447 Ų479%0.08627%0.27CS..  trans-62.7145.3170.150.70000111.2V196 L197 P198 R213 A232V196-T226 HydrophobicContact CG1-CG2 3.83Å; L197-T226 WeakPolarHBondContact O-CG2 3.48Å; L197-T226 PolarHBondContact O-N 3.21Å; L197-T226 PolarHBondContact O-OG1 3.44Å; P198-T226 HydrophobicContact CB-CG2 4.2Å; R213-T226 PolarHBondContact NH1-OG1 3.42Å; T226-A232 HydrophobicContact CG2-CB 3.7Å; T226-A232 WeakPolarHBondContact OG1-CB 3.41Å
227L98.9Very high98.8Very high177 Ų17752 Ų5293%0.92730%0.297SS*.SBendtrans-82.9-28.3-176.3-57.9-177000113.3
228N98.9Very high98.8Very high81 Ų8148.2 Ų48.243%0.43328%0.282SS..  trans-137.7133.5-173.1-175.5-59.8000110.2M230 D231 A232N228-M230 WeakPolarHBondContact OD1-CA 3.45Å; N228-M230 WeakPolarHBondContact OD1-CB 3.32Å; N228-M230 PolarHBondContact OD1-N 3.34Å; N228-D231 HydrophobicContact CB-CB 3.98Å; N228-D231 PolarHBondContact OD1-N 3.29Å; N228-A232 VanDerWaalsContact O-CB 3.22Å; N228-A232 WeakPolarHBondContact O-CB 3.5Å; N228-A232 PolarHBondContact O-N 3.43Å
229S98.9Very high98.8Very high26 Ų2646 Ų4618%0.18226%0.264CS..Hα-helixtrans-74.4-31.3-176.6560000113.9I204 G206 T233I204-S229 CarbonylContact O-C 3.6Å; I204-S229 VanDerWaalsContact O-CB 3.26Å; I204-S229 WeakPolarHBondContact O-CB 3.35Å; I204-S229 PolarHBondContact O-OG 2.89Å; G206-S229 PolarHBondContact N-OG 3.16Å; S229-T233 WeakPolarHBondContact O-CG2 3.39Å; S229-T233 PolarHBondContact O-N 3.45Å; S229-T233 PolarHBondContact O-OG1 2.96Å
230M98.9Very high98.8Very high83 Ų8343.7 Ų43.741%0.40926%0.256SS..Hα-helixtrans-67.3-47.7175.6-62.8176.566.600109.7I204 N228 T233 S234 T320I204-M230 HydrophobicContact CG1-CG 3.89Å; I204-M230 PolarHBondContact O-N 3.09Å; N228-M230 WeakPolarHBondContact OD1-CA 3.45Å; N228-M230 WeakPolarHBondContact OD1-CB 3.32Å; N228-M230 PolarHBondContact OD1-N 3.34Å; M230-T233 PolarHBondContact O-N 3.32Å; M230-T233 PolarHBondContact O-OG1 3.05Å; M230-S234 WeakPolarHBondContact O-CB 3.46Å; M230-S234 PolarHBondContact O-N 3.26Å; M230-S234 PolarHBondContact O-OG 3.43Å; M230-T320 HydrophobicContact CB-CG2 3.83Å; M230-T320 WeakPolarHBondContact CE-OG1 3.48Å; M230-T320 HydrophobicContact CG-CG2 4.42Å; M230-T320 WeakPolarHBondContact O-CG2 3.32Å
231D98.9Very high98.8Very high81 Ų8146.6 Ų46.643%0.43327%0.27SS..Hα-helixtrans-57.2-56.2174.7177.368.8000111.1N228 T233 S234 E235N228-D231 HydrophobicContact CB-CB 3.98Å; N228-D231 PolarHBondContact OD1-N 3.29Å; D231-T233 PolarHBondContact O-N 3.15Å; D231-S234 PolarHBondContact O-N 3.4Å; D231-S234 PolarHBondContact O-OG 3.3Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.49Å; D231-E235 PolarHBondContact O-N 2.99Å
232A98.8Very high98.8Very high0 Ų041 Ų410%024%0.24CC..Hα-helixtrans-55.4-23.8-176.900000115.5P198 S201 T226 N228P198-A232 HydrophobicContact CB-CB 4.08Å; S201-A232 WeakPolarHBondContact OG-CB 3.31Å; T226-A232 HydrophobicContact CG2-CB 3.7Å; T226-A232 WeakPolarHBondContact OG1-CB 3.41Å; N228-A232 VanDerWaalsContact O-CB 3.22Å; N228-A232 WeakPolarHBondContact O-CB 3.5Å; N228-A232 PolarHBondContact O-N 3.43Å
233T98.8Very high98.8Very high0 Ų040.7 Ų40.70%024%0.239CC..Hα-helixtrans-100.1-17.4-179.6530000113.2N114 D115 G202 S229 M230 D231 R236N114-T233 HydrophobicContact CB-CG2 4.04Å; D115-T233 HydrophobicContact CB-CG2 4.06Å; G202-T233 WeakPolarHBondContact O-CG2 3.46Å; S229-T233 WeakPolarHBondContact O-CG2 3.39Å; S229-T233 PolarHBondContact O-N 3.45Å; S229-T233 PolarHBondContact O-OG1 2.96Å; M230-T233 PolarHBondContact O-N 3.32Å; M230-T233 PolarHBondContact O-OG1 3.05Å; D231-T233 PolarHBondContact O-N 3.15Å; T233-R236 PolarHBondContact O-NH1 3.46Å
234S98.8Very high98.9Very high30 Ų3043.6 Ų43.621%0.2124%0.235CC..Hα-helixtrans-110.8-32.4-175.459.20000114.5M230 D231 T320 L325M230-S234 WeakPolarHBondContact O-CB 3.46Å; M230-S234 PolarHBondContact O-N 3.26Å; M230-S234 PolarHBondContact O-OG 3.43Å; D231-S234 PolarHBondContact O-N 3.4Å; D231-S234 PolarHBondContact O-OG 3.3Å; S234-T320 WeakPolarHBondContact CB-O 3.42Å; S234-L325 WeakPolarHBondContact O-CD1 3.5Å
235E98.7Very high98.9Very high20 Ų2041.6 Ų41.69%0.09322%0.218CC..  trans-70.2147.9-177.573.676.7-158.900112.1R122 D231 D237 F238R122-E235 IonicContact CZ-OE1 3.43Å; R122-E235 IonicContact NE-OE1 2.7Å; R122-E235 IonicContact NH2-OE1 3.68Å; R122-E235 PolarHBondContact NH2-OE1 3.38Å; R122-E235 IonicContact NH2-OE2 3.56Å; D231-E235 VanDerWaalsContact O-CG 3.3Å; D231-E235 WeakPolarHBondContact O-CG 3.49Å; D231-E235 PolarHBondContact O-N 2.99Å; E235-D237 PolarHBondContact OE2-N 3.21Å; E235-F238 WeakPolarHBondContact OE1-CD1 3.49Å; E235-F238 WeakPolarHBondContact OE2-CD1 3.31Å
236R98.9Very high98.9Very high3 Ų339.4 Ų39.41%0.01121%0.207CC..  trans-136.929.7171.6-65.5-62.4-176.3-77.3-3.5111T233 F238 V239 A240 L314 L325 D328T233-R236 PolarHBondContact O-NH1 3.46Å; R236-F238 VanDerWaalsContact C-N 3.26Å; R236-F238 PolarHBondContact O-N 2.89Å; R236-V239 HydrophobicContact CB-CB 4.38Å; R236-V239 HydrophobicContact CB-CG2 4.32Å; R236-V239 WeakPolarHBondContact O-CA 3.38Å; R236-V239 WeakPolarHBondContact O-CB 3.28Å; R236-V239 PolarHBondContact O-N 3.42Å; R236-A240 PolarHBondContact O-N 3.44Å; R236-L314 HydrophobicContact CB-CD1 4.21Å; R236-L314 HydrophobicContact CB-CD2 3.99Å; R236-L314 HydrophobicContact CG-CD2 4.29Å; R236-L325 HydrophobicContact CG-CD2 3.9Å; R236-D328 WeakPolarHBondContact CD-OD2 3.43Å; R236-D328 IonicContact CZ-OD2 2.74Å; R236-D328 IonicContact NE-OD2 2.62Å; R236-D328 PolarHBondContact NE-OD2 2.96Å; R236-D328 IonicContact NH2-OD2 3.74Å
237D98.9Very high98.9Very high105 Ų10539.1 Ų39.156%0.56121%0.205SC*.Hα-helixtrans-61.7-40.1-178-72.23.2000110.1E235 V239 A240 E241E235-D237 PolarHBondContact OE2-N 3.21Å; D237-V239 PolarHBondContact O-N 2.95Å; D237-V239 VanDerWaalsContact O-N 3.17Å; D237-A240 PolarHBondContact O-N 3.32Å; D237-A240 VanDerWaalsContact O-N 3.13Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.38Å; D237-E241 PolarHBondContact O-N 2.94Å
238F98.9Very high98.9Very high3 Ų332.9 Ų32.91%0.01317%0.173CC..Hα-helixtrans-59.5-28.2175.972.3-83.7000113.1V118 L121 R122 M125 I194 E235 R236 F242V118-F238 HydrophobicContact CG1-CE1 4.08Å; V118-F238 HydrophobicContact CG1-CZ 4.16Å; L121-F238 HydrophobicContact CD2-CE2 4.02Å; L121-F238 HydrophobicContact CD2-CZ 3.97Å; L121-F238 HydrophobicContact CG-CE2 4.04Å; L121-F238 HydrophobicContact CG-CZ 4.33Å; R122-F238 HydrophobicContact CG-CD1 4.47Å; R122-F238 HydrophobicContact CG-CD2 3.97Å; R122-F238 HydrophobicContact CG-CE1 4.2Å; R122-F238 HydrophobicContact CG-CE2 3.65Å; R122-F238 HydrophobicContact CG-CG 4.37Å; R122-F238 HydrophobicContact CG-CZ 3.77Å; M125-F238 HydrophobicContact CE-CD2 4.15Å; M125-F238 HydrophobicContact SD-CD2 3.57Å; M125-F238 VanDerWaalsContact SD-CD2 3.57Å; M125-F238 HydrophobicContact SD-CE2 3.5Å; M125-F238 WeakPolarHBondContact SD-CE2 3.44Å; I194-F238 HydrophobicContact CG1-CB 3.99Å; I194-F238 HydrophobicContact CG1-CD2 4.33Å; E235-F238 WeakPolarHBondContact OE1-CD1 3.49Å; E235-F238 WeakPolarHBondContact OE2-CD1 3.31Å; R236-F238 VanDerWaalsContact C-N 3.26Å; R236-F238 PolarHBondContact O-N 2.89Å; F238-F242 WeakPolarHBondContact O-CB 3.34Å; F238-F242 PolarHBondContact O-N 2.8Å
239V98.9Very high98.9Very high0 Ų029 Ų290%015%0.152CC..Hα-helixtrans-78.7-48.1174.3-174.70000110.4L121 M125 R236 D237 E241 F242 L243 L310 D328 V332L121-V239 HydrophobicContact CD2-CG2 4.01Å; M125-V239 HydrophobicContact SD-CG2 4.24Å; R236-V239 HydrophobicContact CB-CB 4.38Å; R236-V239 HydrophobicContact CB-CG2 4.32Å; R236-V239 WeakPolarHBondContact O-CA 3.38Å; R236-V239 WeakPolarHBondContact O-CB 3.28Å; R236-V239 PolarHBondContact O-N 3.42Å; D237-V239 PolarHBondContact O-N 2.95Å; D237-V239 VanDerWaalsContact O-N 3.17Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3.46Å; V239-F242 PolarHBondContact O-N 2.62Å; V239-L243 HydrophobicContact CG1-CD1 4.21Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CG 3.13Å; V239-L243 PolarHBondContact O-N 3.37Å; V239-L310 HydrophobicContact CB-CD2 3.83Å; V239-L310 HydrophobicContact CG1-CD2 3.35Å; V239-D328 HydrophobicContact CG2-CB 4.4Å; V239-V332 HydrophobicContact CB-CG2 4.37Å; V239-V332 HydrophobicContact CG1-CG2 3.39Å; V239-V332 HydrophobicContact CG2-CG2 4.22Å
240A98.9Very high98.9Very high17 Ų1727.8 Ų27.814%0.1414%0.143CC..Hα-helixtrans-59.9-43.3178.800000111.9R236 D237 L243 F244 L310R236-A240 PolarHBondContact O-N 3.44Å; D237-A240 PolarHBondContact O-N 3.32Å; D237-A240 VanDerWaalsContact O-N 3.13Å; A240-L243 PolarHBondContact O-N 3.35Å; A240-F244 WeakPolarHBondContact O-CB 3.27Å; A240-F244 PolarHBondContact O-N 2.89Å; A240-L310 HydrophobicContact CB-CD2 4.33Å
241E98.9Very high98.9Very high64 Ų6427.5 Ų27.530%0.29915%0.146SC..Hα-helixtrans-62-42.4175.2-75.1-167.6161.200112.2V190 R193 D237 V239 F244 W245V190-E241 HydrophobicContact CG1-CB 4.35Å; V190-E241 HydrophobicContact CG2-CB 4.06Å; R193-E241 IonicContact CZ-OE1 2.85Å; R193-E241 IonicContact CZ-OE2 2.77Å; R193-E241 VanDerWaalsContact CZ-OE2 3.25Å; R193-E241 VanDerWaalsContact NE-CD 3.31Å; R193-E241 IonicContact NE-OE1 3.46Å; R193-E241 PolarHBondContact NE-OE1 3.09Å; R193-E241 IonicContact NE-OE2 3.63Å; R193-E241 PolarHBondContact NE-OE2 3.43Å; R193-E241 IonicContact NH2-OE1 3.94Å; R193-E241 PolarHBondContact NH2-OE1 2.96Å; R193-E241 IonicContact NH2-OE2 3.52Å; R193-E241 PolarHBondContact NH2-OE2 3.46Å; D237-E241 WeakPolarHBondContact O-CB 3.37Å; D237-E241 WeakPolarHBondContact O-CG 3.38Å; D237-E241 PolarHBondContact O-N 2.94Å; V239-E241 VanDerWaalsContact C-N 3.33Å; V239-E241 PolarHBondContact O-N 3.46Å; E241-F244 PolarHBondContact O-N 3.35Å; E241-W245 WeakPolarHBondContact O-CB 3.49Å; E241-W245 PolarHBondContact O-N 2.9Å
242F99Very high98.9Very high1 Ų125.2 Ų25.20%0.00413%0.133CC..Hα-helixtrans-62.3-45.3175.4170.1-101.5000111.8M125 L132 V190 F238 V239 F244 W245 A246 V332 V335 S336M125-F242 HydrophobicContact CE-CB 3.49Å; M125-F242 VanDerWaalsContact CE-CB 3.49Å; M125-F242 HydrophobicContact CE-CD1 3.89Å; M125-F242 HydrophobicContact CE-CD2 4.18Å; M125-F242 HydrophobicContact CE-CG 3.58Å; L132-F242 HydrophobicContact CD1-CE2 3.79Å; L132-F242 HydrophobicContact CD1-CZ 4.06Å; V190-F242 HydrophobicContact CG1-CB 4.46Å; F238-F242 WeakPolarHBondContact O-CB 3.34Å; F238-F242 PolarHBondContact O-N 2.8Å; V239-F242 PolarHBondContact O-N 2.62Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 PolarHBondContact O-N 3.16Å; F242-W245 AromaticContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CZ3 4.03Å; F242-W245 AromaticContact CE2-CE3 3.73Å; F242-W245 HydrophobicContact CE2-CE3 3.73Å; F242-W245 AromaticContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CE2-CZ3 3.49Å; F242-W245 VanDerWaalsContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CZ-CZ3 4.16Å; F242-W245 WeakPolarHBondContact O-CB 3.5Å; F242-W245 PolarHBondContact O-N 3.5Å; F242-A246 WeakPolarHBondContact O-CB 3.43Å; F242-A246 PolarHBondContact O-N 2.68Å; F242-V332 HydrophobicContact CE1-CG1 4.47Å; F242-V335 HydrophobicContact CE1-CB 4.23Å; F242-V335 HydrophobicContact CE1-CG1 3.84Å; F242-V335 HydrophobicContact CZ-CG1 4.24Å; F242-S336 WeakPolarHBondContact CZ-OG 3.17Å
243L99Very high98.9Very high0 Ų025.3 Ų25.30%013%0.133CC..Hα-helixtrans-65.9-37178.7-66178.5000112V239 A240 A246 S247 R306 C307 L310 A331 V335V239-L243 HydrophobicContact CG1-CD1 4.21Å; V239-L243 HydrophobicContact CG1-CG 4.4Å; V239-L243 WeakPolarHBondContact O-CG 3.13Å; V239-L243 PolarHBondContact O-N 3.37Å; A240-L243 PolarHBondContact O-N 3.35Å; L243-A246 PolarHBondContact O-N 3.4Å; L243-S247 WeakPolarHBondContact O-CB 3.36Å; L243-S247 PolarHBondContact O-N 2.95Å; L243-S247 PolarHBondContact O-OG 3.47Å; L243-R306 HydrophobicContact CD2-CB 4.41Å; L243-C307 HydrophobicContact CB-CB 3.8Å; L243-L310 HydrophobicContact CD1-CB 3.81Å; L243-L310 HydrophobicContact CD1-CD2 3.51Å; L243-L310 HydrophobicContact CD1-CG 4.31Å; L243-A331 HydrophobicContact CD1-CB 4.1Å; L243-V335 HydrophobicContact CD2-CB 3.83Å; L243-V335 HydrophobicContact CD2-CG1 4.03Å; L243-V335 HydrophobicContact CD2-CG2 3.58Å
244F99Very high98.9Very high121 Ų12126.6 Ų26.653%0.53114%0.143SC..Hα-helixtrans-66.2-45.4173.8178.3-103.8000111.6A240 E241 F242 A246 S247 L248A240-F244 WeakPolarHBondContact O-CB 3.27Å; A240-F244 PolarHBondContact O-N 2.89Å; E241-F244 PolarHBondContact O-N 3.35Å; F242-F244 VanDerWaalsContact C-N 3.33Å; F242-F244 PolarHBondContact O-N 3.16Å; F244-A246 VanDerWaalsContact C-N 3.32Å; F244-A246 PolarHBondContact O-N 3.44Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 3.38Å; F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.43Å; F244-L248 PolarHBondContact O-N 3.4Å
245W98.9Very high98.9Very high2 Ų233 Ų331%0.00816%0.162CC..Hα-helixtrans-53.5-50.7173.6161.279.9000111.2L132 D183 L187 E241 F242 S247 L248 C249 M339L132-W245 HydrophobicContact CB-CH2 4.22Å; L132-W245 HydrophobicContact CD1-CH2 3.96Å; L132-W245 HydrophobicContact CD1-CZ3 3.97Å; D183-W245 PolarHBondContact O-NE1 3.4Å; L187-W245 HydrophobicContact CB-CD2 4.5Å; L187-W245 HydrophobicContact CB-CZ2 4.24Å; L187-W245 HydrophobicContact CD1-CD2 3.89Å; L187-W245 HydrophobicContact CD1-CE3 4.08Å; L187-W245 HydrophobicContact CD1-CG 4.47Å; L187-W245 HydrophobicContact CD1-CH2 4.25Å; L187-W245 HydrophobicContact CD1-CZ2 4.04Å; L187-W245 HydrophobicContact CD1-CZ3 4.27Å; L187-W245 HydrophobicContact CD2-CH2 4.09Å; L187-W245 HydrophobicContact CD2-CZ2 3.66Å; L187-W245 HydrophobicContact CG-CZ2 4.19Å; E241-W245 WeakPolarHBondContact O-CB 3.49Å; E241-W245 PolarHBondContact O-N 2.9Å; F242-W245 AromaticContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CE3 3.76Å; F242-W245 HydrophobicContact CD2-CZ3 4.03Å; F242-W245 AromaticContact CE2-CE3 3.73Å; F242-W245 HydrophobicContact CE2-CE3 3.73Å; F242-W245 AromaticContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CE2-CZ3 3.49Å; F242-W245 VanDerWaalsContact CE2-CZ3 3.49Å; F242-W245 HydrophobicContact CZ-CZ3 4.16Å; F242-W245 WeakPolarHBondContact O-CB 3.5Å; F242-W245 PolarHBondContact O-N 3.5Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.23Å; W245-L248 PolarHBondContact O-N 2.98Å; W245-C249 WeakPolarHBondContact O-CB 3.21Å; W245-C249 PolarHBondContact O-N 3.35Å; W245-M339 HydrophobicContact CH2-CE 4.03Å; W245-M339 HydrophobicContact CH2-CG 4.46Å; W245-M339 HydrophobicContact CZ2-CE 4.49Å; W245-M339 HydrophobicContact CZ3-CE 4.44Å; W245-M339 HydrophobicContact CZ3-CG 4.22Å
246A99Very high98.9Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-61.8-41.1179.700000111.3F242 L243 F244 C249 M250 V303 V335 M339F242-A246 WeakPolarHBondContact O-CB 3.43Å; F242-A246 PolarHBondContact O-N 2.68Å; L243-A246 PolarHBondContact O-N 3.4Å; F244-A246 VanDerWaalsContact C-N 3.32Å; F244-A246 PolarHBondContact O-N 3.44Å; A246-C249 PolarHBondContact O-N 3.16Å; A246-M250 WeakPolarHBondContact O-CB 3.37Å; A246-M250 VanDerWaalsContact O-CG 3.29Å; A246-M250 WeakPolarHBondContact O-CG 3.2Å; A246-M250 PolarHBondContact O-N 3.16Å; A246-V303 HydrophobicContact CB-CG1 3.59Å; A246-V335 HydrophobicContact CB-CG1 3.44Å; A246-V335 VanDerWaalsContact CB-CG1 3.44Å; A246-M339 HydrophobicContact CB-CG 3.87Å; A246-M339 HydrophobicContact CB-SD 3.93Å
247S99Very high98.9Very high8 Ų832 Ų326%0.05616%0.157CC..Hα-helixtrans-63.1-43.2178.5-59.20000112.5L243 F244 W245 M250 T251 F304L243-S247 WeakPolarHBondContact O-CB 3.36Å; L243-S247 PolarHBondContact O-N 2.95Å; L243-S247 PolarHBondContact O-OG 3.47Å; F244-S247 WeakPolarHBondContact O-CB 3.28Å; F244-S247 PolarHBondContact O-N 3.38Å; W245-S247 VanDerWaalsContact C-N 3.31Å; W245-S247 PolarHBondContact O-N 3.23Å; S247-M250 PolarHBondContact O-N 3.09Å; S247-T251 PolarHBondContact O-N 3.45Å; S247-T251 PolarHBondContact O-OG1 3.33Å; S247-F304 WeakPolarHBondContact OG-CA 3.44Å
248L98.9Very high98.9Very high46 Ų4631.2 Ų31.224%0.24115%0.151CC..Hα-helixtrans-70.6-40.7178.6-174.358.1000111.6F244 W245 M250 T251 H252F244-L248 HydrophobicContact CE1-CD2 4.38Å; F244-L248 HydrophobicContact CZ-CD2 4.43Å; F244-L248 PolarHBondContact O-N 3.4Å; W245-L248 PolarHBondContact O-N 2.98Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.04Å; L248-T251 VanDerWaalsContact O-CB 3.28Å; L248-T251 WeakPolarHBondContact O-CB 3.48Å; L248-T251 PolarHBondContact O-N 3.41Å; L248-T251 VanDerWaalsContact O-N 3.09Å; L248-H252 PolarHBondContact O-N 2.94Å
249C99Very high98.9Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-59-45.2173-174.40000111.3D183 W245 A246 T251 H252 L253 M339D183-C249 HydrophobicContact CB-CB 4.2Å; D183-C249 WeakPolarHBondContact OD2-CA 3.48Å; W245-C249 WeakPolarHBondContact O-CB 3.21Å; W245-C249 PolarHBondContact O-N 3.35Å; A246-C249 PolarHBondContact O-N 3.16Å; C249-T251 PolarHBondContact O-N 2.71Å; C249-H252 PolarHBondContact O-N 2.79Å; C249-H252 VanDerWaalsContact O-N 3.12Å; C249-L253 PolarHBondContact O-N 3.06Å; C249-M339 HydrophobicContact CB-CE 3.91Å
250M98.9Very high98.9Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-63.8-28.1175.2-75.3-54.7-56.300113.6A246 S247 L248 L253 S254 I296 K299 A300 V303 M339 V342A246-M250 WeakPolarHBondContact O-CB 3.37Å; A246-M250 VanDerWaalsContact O-CG 3.29Å; A246-M250 WeakPolarHBondContact O-CG 3.2Å; A246-M250 PolarHBondContact O-N 3.16Å; S247-M250 PolarHBondContact O-N 3.09Å; L248-M250 VanDerWaalsContact C-N 3.33Å; L248-M250 PolarHBondContact O-N 3.04Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.13Å; M250-S254 VanDerWaalsContact O-CB 3.29Å; M250-S254 WeakPolarHBondContact O-CB 3.4Å; M250-S254 PolarHBondContact O-N 2.71Å; M250-S254 PolarHBondContact O-OG 3.42Å; M250-I296 HydrophobicContact CE-CG2 4.44Å; M250-I296 WeakPolarHBondContact CE-O 3.29Å; M250-K299 HydrophobicContact CE-CB 3.66Å; M250-A300 HydrophobicContact CB-CB 3.94Å; M250-A300 HydrophobicContact CE-CB 4.31Å; M250-V303 HydrophobicContact CG-CB 4.18Å; M250-V303 HydrophobicContact CG-CG1 4.38Å; M250-V303 HydrophobicContact CG-CG2 3.99Å; M250-M339 HydrophobicContact CG-CE 4.48Å; M250-M339 HydrophobicContact CG-SD 3.61Å; M250-M339 HydrophobicContact SD-CE 4.38Å; M250-M339 HydrophobicContact SD-SD 3.73Å; M250-V342 HydrophobicContact CE-CG1 4.07Å; M250-V342 HydrophobicContact CE-CG2 4.26Å; M250-V342 HydrophobicContact SD-CB 4.27Å; M250-V342 HydrophobicContact SD-CG1 3.7Å; M250-V342 HydrophobicContact SD-CG2 4.31Å
251T99Very high98.9Very high76 Ų7632.8 Ų32.847%0.46616%0.156SC..Hα-helixtrans-64.4-45.2173-60.30000110.3S247 L248 C249 S254 R255S247-T251 PolarHBondContact O-N 3.45Å; S247-T251 PolarHBondContact O-OG1 3.33Å; L248-T251 VanDerWaalsContact O-CB 3.28Å; L248-T251 WeakPolarHBondContact O-CB 3.48Å; L248-T251 PolarHBondContact O-N 3.41Å; L248-T251 VanDerWaalsContact O-N 3.09Å; C249-T251 PolarHBondContact O-N 2.71Å; T251-S254 PolarHBondContact O-N 3.24Å; T251-S254 PolarHBondContact O-OG 3.22Å; T251-R255 PolarHBondContact O-N 2.94Å; T251-R255 VanDerWaalsContact O-N 3.13Å
252H98.9Very high98.9Very high34 Ų3431.6 Ų31.616%0.15715%0.152CC..Hα-helixtrans-65.1-43.8175.9-59.7141.2000112A179 L180 D183 L248 C249 S254 R255 M256A179-H252 HydrophobicContact CB-CB 4.42Å; L180-H252 HydrophobicContact CD2-CB 4.44Å; D183-H252 IonicContact OD1-CE1 2.72Å; D183-H252 PolarHBondContact OD1-CE1 3.13Å; D183-H252 IonicContact OD1-ND1 3.94Å; D183-H252 PolarHBondContact OD1-ND1 3.49Å; D183-H252 IonicContact OD2-CE1 2.83Å; D183-H252 PolarHBondContact OD2-CE1 3.35Å; D183-H252 IonicContact OD2-CG 2.69Å; D183-H252 IonicContact OD2-ND1 3.15Å; D183-H252 PolarHBondContact OD2-ND1 3.31Å; L248-H252 PolarHBondContact O-N 2.94Å; C249-H252 PolarHBondContact O-N 2.79Å; C249-H252 VanDerWaalsContact O-N 3.12Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.42Å; H252-R255 WeakPolarHBondContact O-CB 3.26Å; H252-R255 PolarHBondContact O-N 2.91Å; H252-R255 VanDerWaalsContact O-N 3.15Å; H252-M256 PolarHBondContact O-N 3.27Å; H252-M256 VanDerWaalsContact O-N 3.07Å
253L98.9Very high98.9Very high1 Ų132 Ų321%0.00515%0.153CC..Hα-helixtrans-64.9-34.8176.6-66.3176.8000112.5L139 L180 C249 M250 R255 M256 A257 I296 V342 L343 A346L139-L253 HydrophobicContact CD2-CD2 3.93Å; L180-L253 HydrophobicContact CD1-CD2 4.3Å; L180-L253 HydrophobicContact CD2-CD2 4.02Å; L180-L253 HydrophobicContact CD2-CG 4.3Å; C249-L253 PolarHBondContact O-N 3.06Å; M250-L253 PolarHBondContact O-N 3.1Å; M250-L253 HydrophobicContact SD-CD1 4.13Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.17Å; L253-M256 HydrophobicContact CD2-CE 4.04Å; L253-M256 PolarHBondContact O-N 3.3Å; L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 2.9Å; L253-I296 HydrophobicContact CB-CG2 3.89Å; L253-V342 HydrophobicContact CD1-CG1 3.53Å; L253-L343 HydrophobicContact CD1-CD2 4.18Å; L253-A346 HydrophobicContact CD2-CB 4.42Å
254S98.9Very high98.9Very high28 Ų2833 Ų3320%0.19616%0.161CC..Hα-helixtrans-65.4-34.1173.873.10000112.5M250 T251 H252 A257 E258M250-S254 VanDerWaalsContact O-CB 3.29Å; M250-S254 WeakPolarHBondContact O-CB 3.4Å; M250-S254 PolarHBondContact O-N 2.71Å; M250-S254 PolarHBondContact O-OG 3.42Å; T251-S254 PolarHBondContact O-N 3.24Å; T251-S254 PolarHBondContact O-OG 3.22Å; H252-S254 VanDerWaalsContact C-N 3.32Å; H252-S254 PolarHBondContact O-N 3.42Å; S254-A257 PolarHBondContact O-N 2.85Å; S254-E258 PolarHBondContact O-N 3.42Å
255R98.9Very high98.9Very high164 Ų16429.2 Ų29.262%0.61915%0.147SC*.Hα-helixtrans-68.9-44.7176.2-172.2-172175174.4-0.8111.1T251 H252 L253 A257 E258 D259T251-R255 PolarHBondContact O-N 2.94Å; T251-R255 VanDerWaalsContact O-N 3.13Å; H252-R255 WeakPolarHBondContact O-CB 3.26Å; H252-R255 PolarHBondContact O-N 2.91Å; H252-R255 VanDerWaalsContact O-N 3.15Å; L253-R255 VanDerWaalsContact C-N 3.3Å; L253-R255 PolarHBondContact O-N 3.17Å; R255-A257 VanDerWaalsContact C-N 3.28Å; R255-A257 PolarHBondContact O-N 2.85Å; R255-E258 WeakPolarHBondContact O-CB 3.41Å; R255-E258 PolarHBondContact O-N 3.39Å; R255-D259 PolarHBondContact O-N 3.37Å; R255-D259 VanDerWaalsContact O-N 3.08Å
256M98.9Very high98.8Very high2 Ų235.2 Ų35.21%0.0117%0.173CC..Hα-helixtrans-60.6-41.2173.8-175.8-175.771.400111.2M143 W172 H252 L253 D259 L260 A346M143-M256 HydrophobicContact CE-SD 4.05Å; W172-M256 HydrophobicContact CH2-CG 4.3Å; H252-M256 PolarHBondContact O-N 3.27Å; H252-M256 VanDerWaalsContact O-N 3.07Å; L253-M256 HydrophobicContact CD2-CE 4.04Å; L253-M256 PolarHBondContact O-N 3.3Å; M256-D259 PolarHBondContact O-N 3.09Å; M256-L260 HydrophobicContact CG-CD1 4.07Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.17Å; M256-A346 HydrophobicContact CE-CB 4.11Å
257A98.9Very high98.8Very high0 Ų042.8 Ų42.80%021%0.209CC..Hα-helixtrans-62.4-44.3175.500000112.1L253 S254 R255 D259 L260 I261 L293 I296 R297L253-A257 WeakPolarHBondContact O-CB 3.35Å; L253-A257 PolarHBondContact O-N 2.9Å; S254-A257 PolarHBondContact O-N 2.85Å; R255-A257 VanDerWaalsContact C-N 3.28Å; R255-A257 PolarHBondContact O-N 2.85Å; A257-D259 PolarHBondContact O-N 3.19Å; A257-L260 PolarHBondContact O-N 3.09Å; A257-I261 WeakPolarHBondContact O-CB 3.4Å; A257-I261 WeakPolarHBondContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CG1 3.03Å; A257-I261 PolarHBondContact O-N 3.2Å; A257-L293 HydrophobicContact CB-CB 4.14Å; A257-L293 HydrophobicContact CB-CD2 4.36Å; A257-L293 WeakPolarHBondContact CB-O 3.3Å; A257-I296 HydrophobicContact CB-CB 4.44Å; A257-I296 HydrophobicContact CB-CG2 4.22Å; A257-R297 HydrophobicContact CB-CB 4.19Å
258E98.9Very high98.8Very high89 Ų8944.5 Ų44.542%0.41622%0.215SC..Hα-helixtrans-55.5-51.8175.7-166.369.2-147.100111.7S254 R255 L260 I261 L262 R297S254-E258 PolarHBondContact O-N 3.42Å; R255-E258 WeakPolarHBondContact O-CB 3.41Å; R255-E258 PolarHBondContact O-N 3.39Å; E258-L260 PolarHBondContact O-N 3.38Å; E258-I261 PolarHBondContact O-N 2.89Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 PolarHBondContact O-N 3.35Å; E258-R297 IonicContact OE1-NH1 3.88Å; E258-R297 PolarHBondContact OE1-NH1 3.24Å; E258-R297 WeakPolarHBondContact OE2-CD 3.27Å; E258-R297 IonicContact OE2-CZ 2.71Å; E258-R297 IonicContact OE2-NE 2.61Å; E258-R297 IonicContact OE2-NH1 3.22Å; E258-R297 PolarHBondContact OE2-NH1 3.39Å
259D98.9Very high98.8Very high30 Ų3043.9 Ų43.916%0.1622%0.215CC..Hα-helixtrans-57.9-50.2179.8-74-10.5000110.7W172 H176 R255 M256 A257 I261 L262 Y263W172-D259 HydrophobicContact CZ2-CB 3.59Å; W172-D259 PolarHBondContact NE1-OD2 2.79Å; H176-D259 IonicContact CE1-OD2 3.89Å; H176-D259 IonicContact NE2-OD2 2.94Å; H176-D259 PolarHBondContact NE2-OD2 3.01Å; R255-D259 PolarHBondContact O-N 3.37Å; R255-D259 VanDerWaalsContact O-N 3.08Å; M256-D259 PolarHBondContact O-N 3.09Å; A257-D259 PolarHBondContact O-N 3.19Å; D259-I261 PolarHBondContact O-N 3.41Å; D259-L262 WeakPolarHBondContact O-CB 3.2Å; D259-L262 PolarHBondContact O-N 3.26Å; D259-Y263 HydrophobicContact CB-CD2 4.43Å; D259-Y263 HydrophobicContact CB-CE2 3.89Å; D259-Y263 WeakPolarHBondContact O-CB 3.35Å; D259-Y263 WeakPolarHBondContact O-CD1 3.48Å; D259-Y263 VanDerWaalsContact O-CD2 3.3Å; D259-Y263 WeakPolarHBondContact O-CD2 3.43Å; D259-Y263 PolarHBondContact O-N 3.31Å
260L98.9Very high98.8Very high0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-69.3-33.7-177.4-70.4176.3000113.1W169 W172 M256 A257 E258 L262 Y263 C264 V271 L293 V349 L353W169-L260 HydrophobicContact CH2-CD2 4.24Å; W172-L260 HydrophobicContact CH2-CD1 4.33Å; W172-L260 HydrophobicContact CH2-CD2 3.58Å; W172-L260 HydrophobicContact CH2-CG 3.79Å; W172-L260 HydrophobicContact CZ2-CD2 4.29Å; W172-L260 HydrophobicContact CZ2-CG 4.29Å; W172-L260 HydrophobicContact CZ3-CD2 4.24Å; M256-L260 HydrophobicContact CG-CD1 4.07Å; M256-L260 WeakPolarHBondContact O-CB 3.41Å; M256-L260 WeakPolarHBondContact O-CG 3.41Å; M256-L260 PolarHBondContact O-N 3.17Å; A257-L260 PolarHBondContact O-N 3.09Å; E258-L260 PolarHBondContact O-N 3.38Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-Y263 HydrophobicContact CD2-CD2 4.47Å; L260-Y263 PolarHBondContact O-N 3.33Å; L260-C264 PolarHBondContact O-N 3.02Å; L260-C264 PolarHBondContact O-SG 3.07Å; L260-C264 VanDerWaalsContact O-SG 3.4Å; L260-V271 HydrophobicContact CD2-CG2 4.28Å; L260-L293 HydrophobicContact CB-CD1 3.39Å; L260-L293 HydrophobicContact CB-CD2 4.24Å; L260-L293 HydrophobicContact CB-CG 4.45Å; L260-L293 HydrophobicContact CD1-CD1 4.47Å; L260-L293 HydrophobicContact CD1-CD2 4.01Å; L260-V349 HydrophobicContact CD1-CG1 4.27Å; L260-L353 HydrophobicContact CD1-CD2 4.22Å; L260-L353 HydrophobicContact CD2-CD2 3.93Å
261I98.9Very high98.7Very high22 Ų2244.1 Ų44.111%0.11322%0.216CC..Hα-helixtrans-60.9-46.2171.8-73.7164.1000109.5A257 E258 D259 C264 T265 P290 L293 E294A257-I261 WeakPolarHBondContact O-CB 3.4Å; A257-I261 WeakPolarHBondContact O-CD1 3.26Å; A257-I261 WeakPolarHBondContact O-CG1 3.03Å; A257-I261 PolarHBondContact O-N 3.2Å; E258-I261 PolarHBondContact O-N 2.89Å; D259-I261 PolarHBondContact O-N 3.41Å; I261-C264 PolarHBondContact O-N 3.26Å; I261-C264 PolarHBondContact O-SG 2.91Å; I261-T265 WeakPolarHBondContact O-CG2 3.36Å; I261-P290 HydrophobicContact CB-CG 4.35Å; I261-P290 HydrophobicContact CG1-CB 3.97Å; I261-P290 HydrophobicContact CG1-CG 3.86Å; I261-P290 HydrophobicContact CG2-CG 4.14Å; I261-L293 HydrophobicContact CD1-CB 3.9Å; I261-L293 HydrophobicContact CG1-CB 3.61Å; I261-L293 HydrophobicContact CG1-CD1 4.01Å; I261-L293 HydrophobicContact CG1-CG 4.49Å; I261-E294 HydrophobicContact CD1-CG 3.9Å; I261-E294 HydrophobicContact CG1-CG 4.5Å
262L98.9Very high98.7Very high39 Ų3944 Ų4420%0.20421%0.21CC..Hα-helixtrans-65.2-43.9179.1-162.475.5000111.3L161 E258 D259 L260 C264 T265 F268L161-L262 HydrophobicContact CD1-CD2 3.24Å; L161-L262 HydrophobicContact CD2-CD2 3.94Å; L161-L262 HydrophobicContact CG-CD2 3.99Å; E258-L262 WeakPolarHBondContact O-CB 3.38Å; E258-L262 PolarHBondContact O-N 3.35Å; D259-L262 WeakPolarHBondContact O-CB 3.2Å; D259-L262 PolarHBondContact O-N 3.26Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.96Å; L262-T265 WeakPolarHBondContact O-CB 3.44Å; L262-T265 WeakPolarHBondContact O-CG2 3.31Å; L262-T265 PolarHBondContact O-N 3.23Å; L262-T265 PolarHBondContact O-OG1 2.96Å; L262-F268 HydrophobicContact CD1-CE2 4.07Å; L262-F268 HydrophobicContact CD1-CZ 4.38Å; L262-F268 HydrophobicContact CD2-CE1 3.81Å; L262-F268 HydrophobicContact CD2-CE2 4Å; L262-F268 HydrophobicContact CD2-CZ 3.48Å; L262-F268 VanDerWaalsContact CD2-CZ 3.48Å; L262-F268 HydrophobicContact CG-CD2 4.14Å; L262-F268 HydrophobicContact CG-CE1 4.14Å; L262-F268 HydrophobicContact CG-CE2 3.72Å; L262-F268 HydrophobicContact CG-CZ 3.73Å; L262-F268 WeakPolarHBondContact O-CB 3.46Å; L262-F268 WeakPolarHBondContact O-CG 3.13Å
263Y98.8Very high98.7Very high9 Ų942.7 Ų42.74%0.03520%0.204CC..Hα-helixtrans-68.3-22.7-178.1-64.2-12.8000113.8F155 Y158 W169 W172 D259 L260 F268 F270 V271F155-Y263 HydrophobicContact CE2-CE2 4.07Å; F155-Y263 AromaticContact CE2-CZ 3.89Å; Y158-Y263 HydrophobicContact CE2-CE1 4.22Å; W169-Y263 HydrophobicContact CZ3-CD2 4.28Å; W169-Y263 HydrophobicContact CZ3-CE2 4.32Å; W172-Y263 HydrophobicContact CD2-CE2 4.35Å; W172-Y263 AromaticContact CE2-CE2 3.8Å; W172-Y263 HydrophobicContact CZ2-CE2 4.04Å; W172-Y263 AromaticContact NE1-CE2 3.83Å; D259-Y263 HydrophobicContact CB-CD2 4.43Å; D259-Y263 HydrophobicContact CB-CE2 3.89Å; D259-Y263 WeakPolarHBondContact O-CB 3.35Å; D259-Y263 WeakPolarHBondContact O-CD1 3.48Å; D259-Y263 VanDerWaalsContact O-CD2 3.3Å; D259-Y263 WeakPolarHBondContact O-CD2 3.43Å; D259-Y263 PolarHBondContact O-N 3.31Å; L260-Y263 HydrophobicContact CD2-CD2 4.47Å; L260-Y263 PolarHBondContact O-N 3.33Å; Y263-F268 AromaticContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CE1 4.37Å; Y263-F268 HydrophobicContact CE1-CD1 4.42Å; Y263-F268 HydrophobicContact CE1-CE1 4.47Å; Y263-F270 AromaticContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CE2 4.31Å; Y263-F270 HydrophobicContact CE1-CD2 4.33Å; Y263-F270 HydrophobicContact CG-CD2 4.06Å; Y263-F270 PolarHBondContact O-N 2.83Å; Y263-V271 PolarHBondContact O-N 3.01Å; Y263-V271 VanDerWaalsContact O-N 3.16Å
264C98.4Very high98.6Very high23 Ų2343.7 Ų43.716%0.15521%0.212CC..THydrogen-bonded Turntrans-93.23.1176.277.40000114.5L260 I261 L262 V271L260-C264 PolarHBondContact O-N 3.02Å; L260-C264 PolarHBondContact O-SG 3.07Å; L260-C264 VanDerWaalsContact O-SG 3.4Å; I261-C264 PolarHBondContact O-N 3.26Å; I261-C264 PolarHBondContact O-SG 2.91Å; L262-C264 VanDerWaalsContact C-N 3.27Å; L262-C264 PolarHBondContact O-N 2.96Å; C264-V271 VanDerWaalsContact CA-O 3.32Å; C264-V271 WeakPolarHBondContact CA-O 3.38Å; C264-V271 HydrophobicContact CB-CG2 3.84Å; C264-V271 WeakPolarHBondContact CB-O 3.41Å
265T98.6Very high98.5Very high41 Ų4148.2 Ų48.225%0.25223%0.233SC..SBendtrans-65.3165.6169.662.80000111.6I261 L262 E267 F268 S269I261-T265 WeakPolarHBondContact O-CG2 3.36Å; L262-T265 WeakPolarHBondContact O-CB 3.44Å; L262-T265 WeakPolarHBondContact O-CG2 3.31Å; L262-T265 PolarHBondContact O-N 3.23Å; L262-T265 PolarHBondContact O-OG1 2.96Å; T265-E267 VanDerWaalsContact C-N 3.33Å; T265-E267 WeakPolarHBondContact CB-OE2 3.4Å; T265-F268 WeakPolarHBondContact OG1-CD2 3.49Å; T265-F268 PolarHBondContact OG1-N 3.02Å; T265-S269 VanDerWaalsContact O-CA 3.32Å; T265-S269 WeakPolarHBondContact O-CA 3.29Å; T265-S269 PolarHBondContact O-N 3.43Å; T265-S269 PolarHBondContact O-OG 2.96Å
266K97.8Very high98.4Very high128 Ų12844.4 Ų44.456%0.55724%0.237SC*.THydrogen-bonded Turntrans-72-33.3175.1-73.8-74.5176.3-83.50111.3F268 S269 Q286K266-F268 VanDerWaalsContact C-N 3.3Å; K266-F268 PolarHBondContact O-N 2.93Å; K266-S269 WeakPolarHBondContact CA-OG 3.39Å; K266-S269 PolarHBondContact O-OG 3.43Å; K266-Q286 PolarHBondContact NZ-O 3.48Å
267E98.5Very high98.4Very high158 Ų15847.7 Ų47.774%0.73825%0.25SS*.THydrogen-bonded Turntrans-62.4-35.3179.1-66.774.6-169.500112.4T265T265-E267 VanDerWaalsContact C-N 3.33Å; T265-E267 WeakPolarHBondContact CB-OE2 3.4Å
268F98.5Very high98.2Very high45 Ų4548.4 Ų48.420%0.19726%0.255CS..THydrogen-bonded Turntrans-96.8-54.1175.7-74.1-113.9000111.5Y158 L262 Y263 T265 K266 F270Y158-F268 AromaticContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE1-CE1 3.97Å; Y158-F268 HydrophobicContact CE2-CE1 4.46Å; Y158-F268 AromaticContact CZ-CE1 3.69Å; Y158-F268 VanDerWaalsContact OH-CE1 3.29Å; Y158-F268 WeakPolarHBondContact OH-CE1 3.43Å; L262-F268 HydrophobicContact CD1-CE2 4.07Å; L262-F268 HydrophobicContact CD1-CZ 4.38Å; L262-F268 HydrophobicContact CD2-CE1 3.81Å; L262-F268 HydrophobicContact CD2-CE2 4Å; L262-F268 HydrophobicContact CD2-CZ 3.48Å; L262-F268 VanDerWaalsContact CD2-CZ 3.48Å; L262-F268 HydrophobicContact CG-CD2 4.14Å; L262-F268 HydrophobicContact CG-CE1 4.14Å; L262-F268 HydrophobicContact CG-CE2 3.72Å; L262-F268 HydrophobicContact CG-CZ 3.73Å; L262-F268 WeakPolarHBondContact O-CB 3.46Å; L262-F268 WeakPolarHBondContact O-CG 3.13Å; Y263-F268 AromaticContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CD1 3.93Å; Y263-F268 HydrophobicContact CD1-CE1 4.37Å; Y263-F268 HydrophobicContact CE1-CD1 4.42Å; Y263-F268 HydrophobicContact CE1-CE1 4.47Å; T265-F268 WeakPolarHBondContact OG1-CD2 3.49Å; T265-F268 PolarHBondContact OG1-N 3.02Å; K266-F268 VanDerWaalsContact C-N 3.3Å; K266-F268 PolarHBondContact O-N 2.93Å; F268-F270 HydrophobicContact CB-CD1 4.47Å; F268-F270 HydrophobicContact CB-CD2 4.27Å; F268-F270 HydrophobicContact CB-CE2 4.38Å; F268-F270 HydrophobicContact CB-CG 4.32Å; F268-F270 HydrophobicContact CB-CZ 4.49Å; F268-F270 AromaticContact CD1-CD2 3.95Å; F268-F270 HydrophobicContact CD1-CD2 3.95Å; F268-F270 AromaticContact CD1-CE2 3.5Å; F268-F270 HydrophobicContact CD1-CE2 3.5Å; F268-F270 VanDerWaalsContact CD1-CE2 3.5Å; F268-F270 AromaticContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CE1-CE2 4.29Å; F268-F270 HydrophobicContact CG-CE2 4.4Å; F268-F270 WeakPolarHBondContact O-CD1 3.08Å; F268-F270 VanDerWaalsContact O-CE1 3.31Å; F268-F270 WeakPolarHBondContact O-CE1 3.46Å; F268-F270 PolarHBondContact O-N 3.36Å
269S98.5Very high97.9Very high32 Ų3247 Ų4722%0.22425%0.253CS..  trans51.536.5-177.5-62.60000114T265 K266 H356 N359T265-S269 VanDerWaalsContact O-CA 3.32Å; T265-S269 WeakPolarHBondContact O-CA 3.29Å; T265-S269 PolarHBondContact O-N 3.43Å; T265-S269 PolarHBondContact O-OG 2.96Å; K266-S269 WeakPolarHBondContact CA-OG 3.39Å; K266-S269 PolarHBondContact O-OG 3.43Å; S269-H356 WeakPolarHBondContact O-CB 3.39Å; S269-H356 PolarHBondContact O-CD2 3.27Å; S269-H356 VanDerWaalsContact O-CD2 3.25Å; S269-N359 VanDerWaalsContact O-CB 3.32Å; S269-N359 WeakPolarHBondContact O-CB 3.37Å; S269-N359 PolarHBondContact O-ND2 3.47Å
270F98.9Very high97.4Very high2 Ų248.3 Ų48.31%0.00927%0.273CS..  trans-83.2-36.7178.8-63.6-17.6000112.2F155 P156 Y158 Y263 F268 I355 H356 M360 A363F155-F270 HydrophobicContact CD2-CD2 4.2Å; F155-F270 HydrophobicContact CD2-CE2 4.25Å; P156-F270 HydrophobicContact CG-CE2 4.03Å; P156-F270 HydrophobicContact CG-CZ 3.8Å; Y158-F270 HydrophobicContact CE2-CE2 4.21Å; Y158-F270 WeakPolarHBondContact OH-CE2 3.3Å; Y158-F270 WeakPolarHBondContact OH-CZ 3.1Å; Y263-F270 AromaticContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CD2 3.79Å; Y263-F270 HydrophobicContact CD1-CE2 4.31Å; Y263-F270 HydrophobicContact CE1-CD2 4.33Å; Y263-F270 HydrophobicContact CG-CD2 4.06Å; Y263-F270 PolarHBondContact O-N 2.83Å; F268-F270 HydrophobicContact CB-CD1 4.47Å; F268-F270 HydrophobicContact CB-CD2 4.27Å; F268-F270 HydrophobicContact CB-CE2 4.38Å; F268-F270 HydrophobicContact CB-CG 4.32Å; F268-F270 HydrophobicContact CB-CZ 4.49Å; F268-F270 AromaticContact CD1-CD2 3.95Å; F268-F270 HydrophobicContact CD1-CD2 3.95Å; F268-F270 AromaticContact CD1-CE2 3.5Å; F268-F270 HydrophobicContact CD1-CE2 3.5Å; F268-F270 VanDerWaalsContact CD1-CE2 3.5Å; F268-F270 AromaticContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CD1-CZ 3.94Å; F268-F270 HydrophobicContact CE1-CE2 4.29Å; F268-F270 HydrophobicContact CG-CE2 4.4Å; F268-F270 WeakPolarHBondContact O-CD1 3.08Å; F268-F270 VanDerWaalsContact O-CE1 3.31Å; F268-F270 WeakPolarHBondContact O-CE1 3.46Å; F268-F270 PolarHBondContact O-N 3.36Å; F270-I355 WeakPolarHBondContact O-CA 3.44Å; F270-H356 PolarHBondContact O-N 2.73Å; F270-M360 HydrophobicContact CB-CE 3.82Å; F270-M360 HydrophobicContact CB-CG 3.88Å; F270-M360 HydrophobicContact CD1-CG 3.98Å; F270-M360 HydrophobicContact CG-CG 3.97Å; F270-A363 HydrophobicContact CE1-CB 3.54Å; F270-A363 HydrophobicContact CZ-CB 3.59Å
271V98.7Very high96.8Very high4 Ų450 Ų502%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-129153.7-178.2-52.40000111W169 L260 Y263 C264 L353 Q354 I355 M360W169-V271 HydrophobicContact CH2-CG1 4.07Å; W169-V271 HydrophobicContact CZ3-CG1 4.49Å; L260-V271 HydrophobicContact CD2-CG2 4.28Å; Y263-V271 PolarHBondContact O-N 3.01Å; Y263-V271 VanDerWaalsContact O-N 3.16Å; C264-V271 VanDerWaalsContact CA-O 3.32Å; C264-V271 WeakPolarHBondContact CA-O 3.38Å; C264-V271 HydrophobicContact CB-CG2 3.84Å; C264-V271 WeakPolarHBondContact CB-O 3.41Å; V271-L353 HydrophobicContact CB-CD1 4.47Å; V271-L353 HydrophobicContact CG1-CD1 4.35Å; V271-Q354 CarbonylContact C-O 3.4Å; V271-Q354 VanDerWaalsContact CA-O 3.26Å; V271-Q354 WeakPolarHBondContact CA-O 3.16Å; V271-I355 HydrophobicContact CG1-CG2 4.23Å; V271-M360 HydrophobicContact CG1-CE 4.04Å
272Q98.4Very high96.3Very high74 Ų7454.9 Ų54.935%0.34632%0.321SS..EExtended strand (participates in β ladder)trans-132.7124.6172.4179.2172.6-41.900109.3K288 Q354 H356Q272-K288 HydrophobicContact CG-CD 4.07Å; Q272-Q354 PolarHBondContact N-O 3.12Å; Q272-Q354 PolarHBondContact O-N 3.49Å; Q272-H356 WeakPolarHBondContact CB-NE2 3.23Å
273L98Very high95.7Very high5 Ų560.4 Ų60.43%0.02635%0.35CS..  trans-71.4147.3176.1-59.5-178.9000111.1K288 P290 L293 V349 L353L273-K288 WeakPolarHBondContact O-CD 3.16Å; L273-K288 PolarHBondContact O-NZ 3.44Å; L273-P290 HydrophobicContact CD1-CB 3.83Å; L273-L293 HydrophobicContact CD1-CD1 3.98Å; L273-L293 HydrophobicContact CD1-CG 4.35Å; L273-L293 HydrophobicContact CD2-CD1 4.28Å; L273-V349 HydrophobicContact CD2-CG1 3.88Å; L273-L353 HydrophobicContact CD2-CB 4.21Å
274S97.5Very high95.3Very high23 Ų2363.7 Ų63.716%0.16137%0.366CS..  trans-66151.4168.667.10000110.7A276 Y277 S278 T352S274-A276 PolarHBondContact O-N 3.04Å; S274-A276 VanDerWaalsContact O-N 3.08Å; S274-Y277 PolarHBondContact O-N 2.69Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.43Å; S274-S278 PolarHBondContact O-N 3.27Å; S274-S278 PolarHBondContact O-OG 3.49Å; S274-T352 WeakPolarHBondContact CB-OG1 3.49Å; S274-T352 PolarHBondContact OG-OG1 3.43Å
275D96.1Very high94.7Very high122 Ų12268.4 Ų68.465%0.65240%0.396SS*.G310 helixtrans-55.9-32-179.7-62.9-15000112.9Y277 S278 K288D275-Y277 PolarHBondContact O-N 2.92Å; D275-Y277 VanDerWaalsContact O-N 3.15Å; D275-S278 PolarHBondContact O-N 2.83Å; D275-K288 WeakPolarHBondContact OD1-CE 3.23Å; D275-K288 IonicContact OD1-NZ 3.68Å; D275-K288 PolarHBondContact OD1-NZ 3.43Å
276A97.5Very high94.1Very high85 Ų8571.9 Ų71.970%0.70241%0.41SS*.G310 helixtrans-60.9-22.7177.600000114.5S274S274-A276 PolarHBondContact O-N 3.04Å; S274-A276 VanDerWaalsContact O-N 3.08Å
277Y97.8Very high93.9Very high71 Ų7170.4 Ų70.428%0.27840%0.404SS..G310 helixtrans-125.416-175.8-60-66.1000113S274 D275 S292 V345 G348 V349 T352S274-Y277 PolarHBondContact O-N 2.69Å; S274-Y277 WeakPolarHBondContact OG-CD2 3.43Å; D275-Y277 PolarHBondContact O-N 2.92Å; D275-Y277 VanDerWaalsContact O-N 3.15Å; Y277-S292 VanDerWaalsContact O-CB 3.31Å; Y277-S292 WeakPolarHBondContact O-CB 3.28Å; Y277-S292 PolarHBondContact O-OG 2.69Å; Y277-V345 HydrophobicContact CD1-CG1 4.33Å; Y277-G348 WeakPolarHBondContact CE2-O 3.38Å; Y277-G348 VanDerWaalsContact CZ-CA 3.49Å; Y277-G348 WeakPolarHBondContact OH-CA 3.32Å; Y277-V349 HydrophobicContact CD1-CG2 4.16Å; Y277-V349 HydrophobicContact CD2-CG2 4.32Å; Y277-V349 HydrophobicContact CG-CG2 3.82Å; Y277-T352 WeakPolarHBondContact CD2-OG1 3.34Å; Y277-T352 HydrophobicContact CE2-CG2 4.33Å
278S95.6Very high93.7Very high15 Ų1565.7 Ų65.711%0.10538%0.38CS..  trans-136.2150.2175.263.70000110.4S274 D275 N289S274-S278 PolarHBondContact O-N 3.27Å; S274-S278 PolarHBondContact O-OG 3.49Å; D275-S278 PolarHBondContact O-N 2.83Å; S278-N289 VanDerWaalsContact CA-O 3.3Å; S278-N289 WeakPolarHBondContact CA-O 3.26Å; S278-N289 WeakPolarHBondContact CB-O 3.21Å
279T93.4Very high93.6Very high60 Ų6065.5 Ų65.537%0.36838%0.381SS..EExtended strand (participates in β ladder)trans-101.7156.6166.764.30000110.5K288 N289 D291T279-K288 CarbonylContact O-C 3.49Å; T279-K288 WeakPolarHBondContact O-CA 3.47Å; T279-N289 PolarHBondContact N-O 2.81Å; T279-N289 PolarHBondContact O-N 2.97Å; T279-N289 PolarHBondContact OG1-ND2 3.13Å; T279-D291 WeakPolarHBondContact CB-OD2 3.15Å; T279-D291 HydrophobicContact CG2-CB 4.36Å; T279-D291 WeakPolarHBondContact CG2-OD2 3.2Å; T279-D291 PolarHBondContact OG1-OD1 2.88Å; T279-D291 VanDerWaalsContact OG1-OD1 3.13Å; T279-D291 PolarHBondContact OG1-OD2 2.73Å
280G87.9Confident93.6Very high56 Ų5664.7 Ų64.758%0.57738%0.375SS*.EExtended strand (participates in β ladder)trans-115.4168.1-178.400000112.8K287G280-K287 WeakPolarHBondContact CA-O 3.44Å
281S86.2Confident93.6Very high35 Ų3567.1 Ų67.125%0.24539%0.389CS..  trans-92.1135.5163.3176.80000110L283 M284 K287S281-L283 PolarHBondContact O-N 2.94Å; S281-L283 PolarHBondContact OG-N 3.14Å; S281-M284 PolarHBondContact O-N 3.37Å; S281-M284 WeakPolarHBondContact OG-CE 3.4Å; S281-M284 PolarHBondContact OG-N 3.27Å; S281-K287 PolarHBondContact N-O 2.92Å
282S87.4Confident93.6Very high126 Ų12667.4 Ų67.488%0.88139%0.391SS*.SBendtrans-63.3-22.1173.854.70000113.7
283L86Confident93.6Very high154 Ų15463.9 Ų63.981%0.80638%0.375SS*.SBendtrans-102.8-26-179.5-64.5175.1000113.3S281 P285S281-L283 PolarHBondContact O-N 2.94Å; S281-L283 PolarHBondContact OG-N 3.14Å; L283-P285 WeakPolarHBondContact O-CD 3.22Å
284M90.9Very high93.7Very high79 Ų7967.9 Ų67.939%0.38939%0.393SS..  trans-118.887.6-174.4-61.7175.7-7500110.1S281 Q286 K287S281-M284 PolarHBondContact O-N 3.37Å; S281-M284 WeakPolarHBondContact OG-CE 3.4Å; S281-M284 PolarHBondContact OG-N 3.27Å; M284-Q286 VanDerWaalsContact C-OE1 3.29Å; M284-Q286 PolarHBondContact O-N 3.48Å; M284-Q286 VanDerWaalsContact O-N 3.11Å; M284-K287 HydrophobicContact CB-CB 3.97Å; M284-K287 HydrophobicContact CE-CD 3.72Å; M284-K287 WeakPolarHBondContact O-CB 3.21Å; M284-K287 PolarHBondContact O-N 3.28Å
285P87Confident93.7Very high121 Ų12171.5 Ų71.579%0.78641%0.41SS*.THydrogen-bonded Turntrans-61.9-22.5-17424.9-34.7000113.6L283 K287L283-P285 WeakPolarHBondContact O-CD 3.22Å; P285-K287 VanDerWaalsContact C-N 3.34Å
286Q86.2Confident93.9Very high114 Ų11465.9 Ų65.953%0.53338%0.38SS..THydrogen-bonded Turntrans-80.5-10176.977.7-76.815.400114.3K266 M284K266-Q286 PolarHBondContact NZ-O 3.48Å; M284-Q286 VanDerWaalsContact C-OE1 3.29Å; M284-Q286 PolarHBondContact O-N 3.48Å; M284-Q286 VanDerWaalsContact O-N 3.11Å
287K93.2Very high93.9Very high98 Ų9865.7 Ų65.743%0.42636%0.361SS..  trans-93.2108.8-176.5-171.6-175.9-178.5-1680109.7G280 S281 M284 P285 N289G280-K287 WeakPolarHBondContact CA-O 3.44Å; S281-K287 PolarHBondContact N-O 2.92Å; M284-K287 HydrophobicContact CB-CB 3.97Å; M284-K287 HydrophobicContact CE-CD 3.72Å; M284-K287 WeakPolarHBondContact O-CB 3.21Å; M284-K287 PolarHBondContact O-N 3.28Å; P285-K287 VanDerWaalsContact C-N 3.34Å; K287-N289 VanDerWaalsContact CE-OD1 3.22Å; K287-N289 WeakPolarHBondContact CE-OD1 3.29Å
288K93.7Very high94Very high58 Ų5865.5 Ų65.525%0.25237%0.37SS..EExtended strand (participates in β ladder)trans-109.4121.7169.4-64-163.8-176.8-161.30109.7Q272 L273 D275 T279Q272-K288 HydrophobicContact CG-CD 4.07Å; L273-K288 WeakPolarHBondContact O-CD 3.16Å; L273-K288 PolarHBondContact O-NZ 3.44Å; D275-K288 WeakPolarHBondContact OD1-CE 3.23Å; D275-K288 IonicContact OD1-NZ 3.68Å; D275-K288 PolarHBondContact OD1-NZ 3.43Å; T279-K288 CarbonylContact O-C 3.49Å; T279-K288 WeakPolarHBondContact O-CA 3.47Å
289N97.6Very high94.1Very high41 Ų4167.6 Ų67.622%0.21938%0.377CS..EExtended strand (participates in β ladder)trans-88.9136176.5-48-45.3000109.3S278 T279 K287 D291S278-N289 VanDerWaalsContact CA-O 3.3Å; S278-N289 WeakPolarHBondContact CA-O 3.26Å; S278-N289 WeakPolarHBondContact CB-O 3.21Å; T279-N289 PolarHBondContact N-O 2.81Å; T279-N289 PolarHBondContact O-N 2.97Å; T279-N289 PolarHBondContact OG1-ND2 3.13Å; K287-N289 VanDerWaalsContact CE-OD1 3.22Å; K287-N289 WeakPolarHBondContact CE-OD1 3.29Å; N289-D291 WeakPolarHBondContact CB-OD1 3.44Å; N289-D291 PolarHBondContact O-N 3.3Å
290P98.3Very high94.4Very high15 Ų1565.6 Ų65.610%0.09737%0.366CS..  trans-82.946.7-179.134.7-35.6000113.3I261 L273 S292 L293 E294I261-P290 HydrophobicContact CB-CG 4.35Å; I261-P290 HydrophobicContact CG1-CB 3.97Å; I261-P290 HydrophobicContact CG1-CG 3.86Å; I261-P290 HydrophobicContact CG2-CG 4.14Å; L273-P290 HydrophobicContact CD1-CB 3.83Å; P290-S292 PolarHBondContact O-N 2.69Å; P290-S292 VanDerWaalsContact O-N 3.11Å; P290-L293 HydrophobicContact CB-CB 4.24Å; P290-L293 HydrophobicContact CB-CD1 3.98Å; P290-L293 HydrophobicContact CB-CG 4.44Å; P290-L293 WeakPolarHBondContact O-CA 3.5Å; P290-L293 WeakPolarHBondContact O-CB 3.47Å; P290-L293 PolarHBondContact O-N 3.12Å; P290-E294 HydrophobicContact CG-CG 4.37Å; P290-E294 PolarHBondContact O-N 3.29Å
291D98.1Very high94.9Very high53 Ų5365.4 Ų65.428%0.28336%0.364SS..Hα-helixtrans-53.5-38.7-173.3-66.317.9000112.9T279 N289 L293 E294 L295T279-D291 WeakPolarHBondContact CB-OD2 3.15Å; T279-D291 HydrophobicContact CG2-CB 4.36Å; T279-D291 WeakPolarHBondContact CG2-OD2 3.2Å; T279-D291 PolarHBondContact OG1-OD1 2.88Å; T279-D291 VanDerWaalsContact OG1-OD1 3.13Å; T279-D291 PolarHBondContact OG1-OD2 2.73Å; N289-D291 WeakPolarHBondContact CB-OD1 3.44Å; N289-D291 PolarHBondContact O-N 3.3Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 2.7Å; D291-E294 PolarHBondContact O-N 2.98Å; D291-L295 VanDerWaalsContact O-CB 3.28Å; D291-L295 WeakPolarHBondContact O-CB 3.41Å; D291-L295 WeakPolarHBondContact O-CG 3.29Å; D291-L295 PolarHBondContact O-N 3.28Å
292S98.6Very high95.5Very high11 Ų1170.4 Ų70.48%0.07738%0.378CS..Hα-helixtrans-58.7-4517656.10000112.1Y277 P290 L295 I296 V349Y277-S292 VanDerWaalsContact O-CB 3.31Å; Y277-S292 WeakPolarHBondContact O-CB 3.28Å; Y277-S292 PolarHBondContact O-OG 2.69Å; P290-S292 PolarHBondContact O-N 2.69Å; P290-S292 VanDerWaalsContact O-N 3.11Å; S292-L295 PolarHBondContact O-N 3.44Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; S292-V349 WeakPolarHBondContact OG-CG2 3.36Å
293L98.8Very high96Very high0 Ų064.4 Ų64.40%034%0.336CS..Hα-helixtrans-71.6-40.6178.9-61.5174.9000111.5A257 L260 I261 L273 P290 D291 L295 I296 R297 V349A257-L293 HydrophobicContact CB-CB 4.14Å; A257-L293 HydrophobicContact CB-CD2 4.36Å; A257-L293 WeakPolarHBondContact CB-O 3.3Å; L260-L293 HydrophobicContact CB-CD1 3.39Å; L260-L293 HydrophobicContact CB-CD2 4.24Å; L260-L293 HydrophobicContact CB-CG 4.45Å; L260-L293 HydrophobicContact CD1-CD1 4.47Å; L260-L293 HydrophobicContact CD1-CD2 4.01Å; I261-L293 HydrophobicContact CD1-CB 3.9Å; I261-L293 HydrophobicContact CG1-CB 3.61Å; I261-L293 HydrophobicContact CG1-CD1 4.01Å; I261-L293 HydrophobicContact CG1-CG 4.49Å; L273-L293 HydrophobicContact CD1-CD1 3.98Å; L273-L293 HydrophobicContact CD1-CG 4.35Å; L273-L293 HydrophobicContact CD2-CD1 4.28Å; P290-L293 HydrophobicContact CB-CB 4.24Å; P290-L293 HydrophobicContact CB-CD1 3.98Å; P290-L293 HydrophobicContact CB-CG 4.44Å; P290-L293 WeakPolarHBondContact O-CA 3.5Å; P290-L293 WeakPolarHBondContact O-CB 3.47Å; P290-L293 PolarHBondContact O-N 3.12Å; D291-L293 VanDerWaalsContact C-N 3.34Å; D291-L293 PolarHBondContact O-N 2.7Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.13Å; L293-I296 HydrophobicContact CD2-CD1 4.48Å; L293-I296 PolarHBondContact O-N 3.36Å; L293-R297 WeakPolarHBondContact O-CB 3.12Å; L293-R297 PolarHBondContact O-N 3.5Å; L293-V349 HydrophobicContact CD2-CG1 3.8Å; L293-V349 HydrophobicContact CG-CG1 4.48Å
294E98.8Very high96.7Very high88 Ų8863.3 Ų63.341%0.41133%0.325SS..Hα-helixtrans-62.4-40.6175.1-67.4-174.916600111.4I261 P290 D291 R297 S298I261-E294 HydrophobicContact CD1-CG 3.9Å; I261-E294 HydrophobicContact CG1-CG 4.5Å; P290-E294 HydrophobicContact CG-CG 4.37Å; P290-E294 PolarHBondContact O-N 3.29Å; D291-E294 PolarHBondContact O-N 2.98Å; E294-R297 PolarHBondContact O-N 3.18Å; E294-S298 WeakPolarHBondContact O-CB 3.41Å; E294-S298 PolarHBondContact O-N 3.2Å
295L98.8Very high97Very high100 Ų10061.4 Ų61.452%0.52433%0.325SS..Hα-helixtrans-62.5-47.4173.7-74.9171.3000110.9D291 S292 L293 R297 S298 K299D291-L295 VanDerWaalsContact O-CB 3.28Å; D291-L295 WeakPolarHBondContact O-CB 3.41Å; D291-L295 WeakPolarHBondContact O-CG 3.29Å; D291-L295 PolarHBondContact O-N 3.28Å; S292-L295 PolarHBondContact O-N 3.44Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 3.13Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.05Å; L295-S298 PolarHBondContact O-N 3.02Å; L295-S298 PolarHBondContact O-OG 3.17Å; L295-K299 VanDerWaalsContact O-CG 3.3Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.28Å; L295-K299 VanDerWaalsContact O-N 3.12Å
296I98.9Very high97.6Very high3 Ų358.8 Ų58.82%0.01530%0.3CS..Hα-helixtrans-54.6-50.5174.2-69.6167.3000110.4M250 L253 A257 S292 L293 S298 K299 V342 V345 A346M250-I296 HydrophobicContact CE-CG2 4.44Å; M250-I296 WeakPolarHBondContact CE-O 3.29Å; L253-I296 HydrophobicContact CB-CG2 3.89Å; A257-I296 HydrophobicContact CB-CB 4.44Å; A257-I296 HydrophobicContact CB-CG2 4.22Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.38Å; S292-I296 PolarHBondContact O-N 3.03Å; L293-I296 HydrophobicContact CD2-CD1 4.48Å; L293-I296 PolarHBondContact O-N 3.36Å; I296-S298 PolarHBondContact O-N 3.18Å; I296-K299 PolarHBondContact O-N 3Å; I296-V342 HydrophobicContact CG1-CG1 4.13Å; I296-V342 HydrophobicContact CG2-CG1 4.08Å; I296-V345 HydrophobicContact CD1-CG1 4.14Å; I296-A346 HydrophobicContact CD1-CB 4.03Å
297R98.9Very high98.2Very high82 Ų8253.7 Ų53.731%0.30928%0.276SS..Hα-helixtrans-59-43.5178.8-175.1170.662.5-176.9-3.1112.1A257 E258 L293 E294 L295 K299 A300A257-R297 HydrophobicContact CB-CB 4.19Å; E258-R297 IonicContact OE1-NH1 3.88Å; E258-R297 PolarHBondContact OE1-NH1 3.24Å; E258-R297 WeakPolarHBondContact OE2-CD 3.27Å; E258-R297 IonicContact OE2-CZ 2.71Å; E258-R297 IonicContact OE2-NE 2.61Å; E258-R297 IonicContact OE2-NH1 3.22Å; E258-R297 PolarHBondContact OE2-NH1 3.39Å; L293-R297 WeakPolarHBondContact O-CB 3.12Å; L293-R297 PolarHBondContact O-N 3.5Å; E294-R297 PolarHBondContact O-N 3.18Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.05Å; R297-K299 VanDerWaalsContact C-N 3.31Å; R297-K299 PolarHBondContact O-N 3.25Å; R297-A300 WeakPolarHBondContact O-CB 3.3Å; R297-A300 PolarHBondContact O-N 3.34Å
298S98.8Very high98.5Very high66 Ų6651 Ų5146%0.46227%0.273SS..Hα-helixtrans-64.2-32.8179.975.50000113.5E294 L295 I296 A300 G301E294-S298 WeakPolarHBondContact O-CB 3.41Å; E294-S298 PolarHBondContact O-N 3.2Å; L295-S298 PolarHBondContact O-N 3.02Å; L295-S298 PolarHBondContact O-OG 3.17Å; I296-S298 PolarHBondContact O-N 3.18Å; S298-A300 PolarHBondContact O-N 2.66Å; S298-G301 PolarHBondContact O-N 3.43Å
299K98.9Very high98.7Very high60 Ų6050 Ų5026%0.26128%0.279SS..Hα-helixtrans-71-19.1-177.3-67.8-64.1175.9-68.70112.6M250 L295 I296 R297 G301 R302 V303 T338 V342M250-K299 HydrophobicContact CE-CB 3.66Å; L295-K299 VanDerWaalsContact O-CG 3.3Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.28Å; L295-K299 VanDerWaalsContact O-N 3.12Å; I296-K299 PolarHBondContact O-N 3Å; R297-K299 VanDerWaalsContact C-N 3.31Å; R297-K299 PolarHBondContact O-N 3.25Å; K299-G301 VanDerWaalsContact C-N 3.32Å; K299-G301 PolarHBondContact O-N 3.42Å; K299-R302 WeakPolarHBondContact O-CB 3.33Å; K299-R302 PolarHBondContact O-N 2.82Å; K299-V303 WeakPolarHBondContact O-CG2 3.43Å; K299-V303 PolarHBondContact O-N 2.98Å; K299-T338 HydrophobicContact CB-CG2 3.8Å; K299-T338 HydrophobicContact CD-CG2 3.91Å; K299-T338 HydrophobicContact CG-CG2 3.98Å; K299-V342 HydrophobicContact CB-CG2 4.16Å; K299-V342 HydrophobicContact CG-CG2 4.13Å
300A98.9Very high98.8Very high17 Ų1748.5 Ų48.514%0.1427%0.271CS..Hα-helixtrans-59.5-43.1174.800000112M250 R297 S298 R302 F304M250-A300 HydrophobicContact CB-CB 3.94Å; M250-A300 HydrophobicContact CE-CB 4.31Å; R297-A300 WeakPolarHBondContact O-CB 3.3Å; R297-A300 PolarHBondContact O-N 3.34Å; S298-A300 PolarHBondContact O-N 2.66Å; A300-R302 PolarHBondContact O-N 3.5Å; A300-F304 WeakPolarHBondContact O-CB 3.45Å; A300-F304 PolarHBondContact O-N 3.23Å
301G98.8Very high98.8Very high52 Ų5252.3 Ų52.354%0.53629%0.29SS..Hα-helixtrans-65.6-37.6175.600000113.1S298 K299 G305S298-G301 PolarHBondContact O-N 3.43Å; K299-G301 VanDerWaalsContact C-N 3.32Å; K299-G301 PolarHBondContact O-N 3.42Å; G301-G305 PolarHBondContact O-N 3.22Å
302R98.7Very high98.8Very high140 Ų14056.5 Ų56.553%0.52831%0.309SS..Hα-helixtrans-61.6-52.1176.5-179.171.4105-117.9-4.7111.1K299 A300 G305 R306 E334K299-R302 WeakPolarHBondContact O-CB 3.33Å; K299-R302 PolarHBondContact O-N 2.82Å; A300-R302 PolarHBondContact O-N 3.5Å; R302-G305 PolarHBondContact O-N 2.89Å; R302-R306 PolarHBondContact O-N 2.95Å; R302-E334 WeakPolarHBondContact CD-OE1 3.26Å; R302-E334 IonicContact CZ-OE1 3.78Å; R302-E334 IonicContact NE-OE1 3.16Å; R302-E334 PolarHBondContact NE-OE1 3.27Å
303V98.9Very high98.9Very high0 Ų058 Ų580%032%0.318CS..Hα-helixtrans-64.2-46.8-177.4174.10000111.2A246 M250 K299 G305 R306 C307 V335 T338A246-V303 HydrophobicContact CB-CG1 3.59Å; M250-V303 HydrophobicContact CG-CB 4.18Å; M250-V303 HydrophobicContact CG-CG1 4.38Å; M250-V303 HydrophobicContact CG-CG2 3.99Å; K299-V303 WeakPolarHBondContact O-CG2 3.43Å; K299-V303 PolarHBondContact O-N 2.98Å; V303-G305 VanDerWaalsContact C-N 3.28Å; V303-G305 PolarHBondContact O-N 3.15Å; V303-R306 PolarHBondContact O-N 3.07Å; V303-R306 VanDerWaalsContact O-N 3.16Å; V303-C307 PolarHBondContact O-N 2.85Å; V303-C307 VanDerWaalsContact O-N 3.16Å; V303-V335 HydrophobicContact CG1-CG1 3.91Å; V303-V335 HydrophobicContact CG1-CG2 4.21Å; V303-V335 HydrophobicContact CG2-CG1 4.39Å; V303-V335 HydrophobicContact CG2-CG2 4.34Å; V303-T338 HydrophobicContact CG2-CG2 3.79Å
304F98.9Very high98.9Very high132 Ų13259.9 Ų59.958%0.57933%0.328SS*.Hα-helixtrans-59.9-39.2175.9175.5-109000112.4S247 A300 R306 C307 A308S247-F304 WeakPolarHBondContact OG-CA 3.44Å; A300-F304 WeakPolarHBondContact O-CB 3.45Å; A300-F304 PolarHBondContact O-N 3.23Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.89Å; F304-C307 WeakPolarHBondContact O-CB 3.44Å; F304-C307 PolarHBondContact O-N 3.33Å; F304-C307 VanDerWaalsContact O-N 3.16Å; F304-A308 HydrophobicContact CZ-CB 4.49Å; F304-A308 PolarHBondContact O-N 3.04Å
305G98.9Very high98.8Very high38 Ų3863.2 Ų63.239%0.39234%0.341SS..Hα-helixtrans-58.3-40.2175.900000113.2G301 R302 V303 G309G301-G305 PolarHBondContact O-N 3.22Å; R302-G305 PolarHBondContact O-N 2.89Å; V303-G305 VanDerWaalsContact C-N 3.28Å; V303-G305 PolarHBondContact O-N 3.15Å; G305-G309 PolarHBondContact O-N 3.05Å
306R98.8Very high98.8Very high67 Ų6761.8 Ų61.825%0.25335%0.351SS..Hα-helixtrans-67.3-40.5175-57.5-57.4-77.31631.5111.6L243 R302 V303 F304 G309 L310 E330 A331 E334 V335L243-R306 HydrophobicContact CD2-CB 4.41Å; R302-R306 PolarHBondContact O-N 2.95Å; V303-R306 PolarHBondContact O-N 3.07Å; V303-R306 VanDerWaalsContact O-N 3.16Å; F304-R306 VanDerWaalsContact C-N 3.31Å; F304-R306 PolarHBondContact O-N 2.89Å; R306-G309 PolarHBondContact O-N 3.46Å; R306-L310 PolarHBondContact O-N 2.82Å; R306-E330 VanDerWaalsContact NH2-C 3.31Å; R306-A331 HydrophobicContact CB-CB 4.42Å; R306-E334 WeakPolarHBondContact CD-OE2 3.46Å; R306-E334 IonicContact CZ-OE2 3.31Å; R306-E334 IonicContact NE-OE2 3.67Å; R306-E334 PolarHBondContact NE-OE2 3.42Å; R306-V335 HydrophobicContact CB-CG2 3.9Å; R306-V335 HydrophobicContact CG-CG2 3.96Å
307C98.9Very high98.8Very high6 Ų664 Ų644%0.04136%0.362CS..Hα-helixtrans-59.4-49.3174.4-172.20000111.9L243 V303 F304 L310 L311L243-C307 HydrophobicContact CB-CB 3.8Å; V303-C307 PolarHBondContact O-N 2.85Å; V303-C307 VanDerWaalsContact O-N 3.16Å; F304-C307 WeakPolarHBondContact O-CB 3.44Å; F304-C307 PolarHBondContact O-N 3.33Å; F304-C307 VanDerWaalsContact O-N 3.16Å; C307-L310 PolarHBondContact O-N 3.37Å; C307-L311 PolarHBondContact O-N 3.46Å; C307-L311 VanDerWaalsContact O-N 3.14Å
308A98.9Very high98.8Very high43 Ų4364.2 Ų64.236%0.35537%0.374SS..Hα-helixtrans-64.5-41.3178.800000111.9F304 L311 M312F304-A308 HydrophobicContact CZ-CB 4.49Å; F304-A308 PolarHBondContact O-N 3.04Å; A308-L311 PolarHBondContact O-N 2.9Å; A308-M312 PolarHBondContact O-N 2.76Å; A308-M312 VanDerWaalsContact O-N 3.11Å
309G98.9Very high98.8Very high36 Ų3666 Ų6637%0.37139%0.387SS..Hα-helixtrans-58.8-50.6176.100000112.2G305 R306 L311 M312 T313G305-G309 PolarHBondContact O-N 3.05Å; R306-G309 PolarHBondContact O-N 3.46Å; G309-L311 PolarHBondContact O-N 2.7Å; G309-M312 PolarHBondContact O-N 2.75Å; G309-M312 VanDerWaalsContact O-N 3.16Å; G309-T313 PolarHBondContact O-N 3.11Å; G309-T313 PolarHBondContact O-OG1 3.26Å
310L98.8Very high98.8Very high9 Ų963.9 Ų63.95%0.04738%0.379CS..Hα-helixtrans-61.6-44.8179.3-177.767.7000112.1V239 A240 L243 R306 C307 M312 T313 L314V239-L310 HydrophobicContact CB-CD2 3.83Å; V239-L310 HydrophobicContact CG1-CD2 3.35Å; A240-L310 HydrophobicContact CB-CD2 4.33Å; L243-L310 HydrophobicContact CD1-CB 3.81Å; L243-L310 HydrophobicContact CD1-CD2 3.51Å; L243-L310 HydrophobicContact CD1-CG 4.31Å; R306-L310 PolarHBondContact O-N 2.82Å; C307-L310 PolarHBondContact O-N 3.37Å; L310-M312 PolarHBondContact O-N 2.61Å; L310-T313 WeakPolarHBondContact O-CB 3.33Å; L310-T313 PolarHBondContact O-N 3.16Å; L310-T313 VanDerWaalsContact O-N 3.08Å; L310-L314 HydrophobicContact CD1-CD1 4.5Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.09Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.3Å
311L98.9Very high98.8Very high96 Ų9666.3 Ų66.350%0.50339%0.385SS..Hα-helixtrans-58.8-36177.5-80.8166.5000112C307 A308 G309 K315C307-L311 PolarHBondContact O-N 3.46Å; C307-L311 VanDerWaalsContact O-N 3.14Å; A308-L311 PolarHBondContact O-N 2.9Å; G309-L311 PolarHBondContact O-N 2.7Å; L311-K315 WeakPolarHBondContact O-CB 3.33Å; L311-K315 PolarHBondContact O-N 3.36Å; L311-K315 VanDerWaalsContact O-N 3.17Å
312M98.9Very high98.8Very high141 Ų14165.8 Ų65.870%0.69537%0.37SS*.Hα-helixtrans-70.5-37.5175.4-168.261.169.500112.3A308 G309 L310 K315A308-M312 PolarHBondContact O-N 2.76Å; A308-M312 VanDerWaalsContact O-N 3.11Å; G309-M312 PolarHBondContact O-N 2.75Å; G309-M312 VanDerWaalsContact O-N 3.16Å; L310-M312 PolarHBondContact O-N 2.61Å; M312-K315 PolarHBondContact O-N 2.86Å
313T98.8Very high98.7Very high42 Ų4263.5 Ų63.526%0.25836%0.364SS..Hα-helixtrans-63.1-41.1173.9-58.80000112G309 L310 K315 L317 D324 E327G309-T313 PolarHBondContact O-N 3.11Å; G309-T313 PolarHBondContact O-OG1 3.26Å; L310-T313 WeakPolarHBondContact O-CB 3.33Å; L310-T313 PolarHBondContact O-N 3.16Å; L310-T313 VanDerWaalsContact O-N 3.08Å; T313-K315 VanDerWaalsContact C-N 3.33Å; T313-L317 WeakPolarHBondContact O-CD1 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; T313-D324 HydrophobicContact CG2-CB 4.12Å; T313-E327 HydrophobicContact CG2-CB 4.37Å
314L98.8Very high98.7Very high39 Ų3967.3 Ų67.320%0.20438%0.384CS..Hα-helixtrans-73.2-26-179.6-64.1178.3000113.1R236 L310 G316 L317 L325R236-L314 HydrophobicContact CB-CD1 4.21Å; R236-L314 HydrophobicContact CB-CD2 3.99Å; R236-L314 HydrophobicContact CG-CD2 4.29Å; L310-L314 HydrophobicContact CD1-CD1 4.5Å; L310-L314 HydrophobicContact CD1-CG 4.31Å; L310-L314 HydrophobicContact CG-CD1 4.09Å; L310-L314 HydrophobicContact CG-CG 4.29Å; L310-L314 WeakPolarHBondContact O-CG 3.41Å; L310-L314 PolarHBondContact O-N 3.3Å; L314-G316 PolarHBondContact O-N 3.08Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.03Å; L314-L325 HydrophobicContact CD2-CD2 3.64Å
315K98.8Very high98.7Very high158 Ų15861.3 Ų61.369%0.68736%0.358SS*.THydrogen-bonded Turntrans-61.8120.4-172.5178.7-95.4176.2-1700111.1L311 M312 T313 L317L311-K315 WeakPolarHBondContact O-CB 3.33Å; L311-K315 PolarHBondContact O-N 3.36Å; L311-K315 VanDerWaalsContact O-N 3.17Å; M312-K315 PolarHBondContact O-N 2.86Å; T313-K315 VanDerWaalsContact C-N 3.33Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.93Å
316G98.6Very high98.6Very high71 Ų7160.6 Ų60.673%0.73234%0.344SS*.THydrogen-bonded Turntrans7215.2171.100000115L314L314-G316 PolarHBondContact O-N 3.08Å
317L98.6Very high98.6Very high49 Ų4961.4 Ų61.426%0.25735%0.351SS..PPolyproline II helixtrans-60.6133169.8-69-179.4000109.9T313 L314 K315 D324 L325T313-L317 WeakPolarHBondContact O-CD1 3.29Å; T313-L317 WeakPolarHBondContact O-CG 3.44Å; L314-L317 HydrophobicContact CD2-CD1 4.41Å; L314-L317 PolarHBondContact O-N 3.03Å; K315-L317 VanDerWaalsContact C-N 3.26Å; K315-L317 PolarHBondContact O-N 2.93Å; L317-D324 HydrophobicContact CD1-CB 4.15Å; L317-D324 HydrophobicContact CD2-CB 3.85Å; L317-L325 HydrophobicContact CD1-CD2 3.83Å; L317-L325 HydrophobicContact CD1-CG 4.38Å
318P98.7Very high98.6Very high86 Ų8661.2 Ų61.256%0.55835%0.35SS*.PPolyproline II helixtrans-69.5156.6170.831.9-34.6000109.7N322P318-N322 PolarHBondContact O-OD1 3.21Å
319S98.6Very high98.6Very high104 Ų10459.5 Ų59.573%0.72733%0.334SS*.SBendtrans-63.6145.2167.1-53.40000110.2
320T98.2Very high98.6Very high16 Ų1661.3 Ų61.310%0.09833%0.333CS..SBendcis-116.8-91.54.9-52.90000111.4I204 M230 S234 N322I204-T320 HydrophobicContact CD1-CG2 4.42Å; I204-T320 WeakPolarHBondContact CD1-OG1 3.45Å; I204-T320 HydrophobicContact CG1-CG2 4.14Å; M230-T320 HydrophobicContact CB-CG2 3.83Å; M230-T320 WeakPolarHBondContact CE-OG1 3.48Å; M230-T320 HydrophobicContact CG-CG2 4.42Å; M230-T320 WeakPolarHBondContact O-CG2 3.32Å; S234-T320 WeakPolarHBondContact CB-O 3.42Å; T320-N322 PolarHBondContact O-OD1 2.96Å
321Y98.7Very high98.6Very high68 Ų6861 Ų6127%0.26733%0.332SS..  trans-78130.8172.6172.7-89.9000109.7N114 L325N114-Y321 HydrophobicContact CB-CD2 4.37Å; N114-Y321 HydrophobicContact CB-CG 4.45Å; N114-Y321 WeakPolarHBondContact ND2-CB 3.47Å; Y321-L325 HydrophobicContact CD2-CD1 3.97Å; Y321-L325 HydrophobicContact CE2-CB 4.29Å; Y321-L325 HydrophobicContact CE2-CD1 4.5Å
322N98.5Very high98.6Very high40 Ų4056.5 Ų56.521%0.21431%0.308CS..  trans-125.9150.6172.6-71.877.5000109.4P318 T320 D324 L325P318-N322 PolarHBondContact O-OD1 3.21Å; T320-N322 PolarHBondContact O-OD1 2.96Å; N322-D324 HydrophobicContact CB-CB 4.49Å; N322-D324 WeakPolarHBondContact CB-OD2 3.22Å; N322-D324 PolarHBondContact O-N 2.98Å; N322-L325 VanDerWaalsContact O-CB 3.3Å; N322-L325 WeakPolarHBondContact O-CB 3.37Å; N322-L325 WeakPolarHBondContact O-CG 3.48Å; N322-L325 PolarHBondContact O-N 3.39Å
323K97.8Very high98.5Very high92 Ų9250.4 Ų50.440%0.428%0.278SS..G310 helixtrans-64.3-23.4-177.3-16362.3163.2165.40112N25 E86 L325 Q326N25-K323 WeakPolarHBondContact OD1-CE 3.47Å; N25-K323 PolarHBondContact OD1-NZ 2.93Å; N25-K323 VanDerWaalsContact OD1-NZ 3.1Å; E86-K323 IonicContact OE1-NZ 3.32Å; K323-L325 PolarHBondContact O-N 3.02Å; K323-L325 VanDerWaalsContact O-N 3.13Å; K323-Q326 VanDerWaalsContact NZ-OE1 3.13Å; K323-Q326 WeakPolarHBondContact O-CB 3.44Å; K323-Q326 PolarHBondContact O-N 2.73Å
324D98.6Very high98.5Very high80 Ų8051.4 Ų51.443%0.42828%0.28SS..G310 helixtrans-49.6-33.4169.5-50.7-107.7000112.5T313 L317 N322 Q326 E327T313-D324 HydrophobicContact CG2-CB 4.12Å; L317-D324 HydrophobicContact CD1-CB 4.15Å; L317-D324 HydrophobicContact CD2-CB 3.85Å; N322-D324 HydrophobicContact CB-CB 4.49Å; N322-D324 WeakPolarHBondContact CB-OD2 3.22Å; N322-D324 PolarHBondContact O-N 2.98Å; D324-Q326 PolarHBondContact O-N 3.41Å; D324-E327 PolarHBondContact O-N 3.32Å
325L98.6Very high98.5Very high6 Ų649.6 Ų49.63%0.03127%0.27CS..G310 helixtrans-68.7-0177.8-59.1176.1000113.7S234 R236 L314 L317 Y321 N322 K323 E327 D328S234-L325 WeakPolarHBondContact O-CD1 3.5Å; R236-L325 HydrophobicContact CG-CD2 3.9Å; L314-L325 HydrophobicContact CD2-CD2 3.64Å; L317-L325 HydrophobicContact CD1-CD2 3.83Å; L317-L325 HydrophobicContact CD1-CG 4.38Å; Y321-L325 HydrophobicContact CD2-CD1 3.97Å; Y321-L325 HydrophobicContact CE2-CB 4.29Å; Y321-L325 HydrophobicContact CE2-CD1 4.5Å; N322-L325 VanDerWaalsContact O-CB 3.3Å; N322-L325 WeakPolarHBondContact O-CB 3.37Å; N322-L325 WeakPolarHBondContact O-CG 3.48Å; N322-L325 PolarHBondContact O-N 3.39Å; K323-L325 PolarHBondContact O-N 3.02Å; K323-L325 VanDerWaalsContact O-N 3.13Å; L325-E327 VanDerWaalsContact C-N 3.33Å; L325-D328 VanDerWaalsContact O-OD1 3.09Å
326Q98.2Very high98.6Very high23 Ų2342.2 Ų42.211%0.10724%0.238CC..G310 helixtrans-74.2-24.2172.9-169.3169.26.300112.6N25 S27 K323 D324 D328 K329N25-Q326 PolarHBondContact O-NE2 2.92Å; S27-Q326 PolarHBondContact OG-NE2 3.34Å; K323-Q326 VanDerWaalsContact NZ-OE1 3.13Å; K323-Q326 WeakPolarHBondContact O-CB 3.44Å; K323-Q326 PolarHBondContact O-N 2.73Å; D324-Q326 PolarHBondContact O-N 3.41Å; Q326-D328 PolarHBondContact O-N 3.25Å; Q326-K329 PolarHBondContact O-NZ 3.15Å
327E98.5Very high98.6Very high84 Ų8443.9 Ų43.939%0.39323%0.231SC..G310 helixtrans-68.4-9.8-179.3-72.7-66.5131.200114.4T313 D324 L325 K329T313-E327 HydrophobicContact CG2-CB 4.37Å; D324-E327 PolarHBondContact O-N 3.32Å; L325-E327 VanDerWaalsContact C-N 3.33Å; E327-K329 PolarHBondContact O-N 3.49Å
328D98.7Very high98.6Very high2 Ų242.4 Ų42.41%0.01122%0.224CC..Hα-helixtrans-61.1-40.6-179.659.7-3.1000113.2L121 R236 V239 L325 Q326 A331 V332L121-D328 HydrophobicContact CD2-CB 4.27Å; L121-D328 WeakPolarHBondContact CD2-OD2 3.4Å; R236-D328 WeakPolarHBondContact CD-OD2 3.43Å; R236-D328 IonicContact CZ-OD2 2.74Å; R236-D328 IonicContact NE-OD2 2.62Å; R236-D328 PolarHBondContact NE-OD2 2.96Å; R236-D328 IonicContact NH2-OD2 3.74Å; V239-D328 HydrophobicContact CG2-CB 4.4Å; L325-D328 VanDerWaalsContact O-OD1 3.09Å; Q326-D328 PolarHBondContact O-N 3.25Å; D328-A331 PolarHBondContact O-N 2.98Å; D328-V332 WeakPolarHBondContact O-CG2 3.49Å; D328-V332 PolarHBondContact O-N 3.06Å; D328-V332 VanDerWaalsContact O-N 3.08Å
329K98.6Very high98.6Very high7 Ų738.3 Ų38.33%0.0320%0.197CC..Hα-helixtrans-65.9-54.5-170.1-80.3166.3-134.761.70112.9Y30 D31 L34 L121 Q326 E327 A331 V332 F333Y30-K329 HydrophobicContact CD2-CB 4.11Å; Y30-K329 HydrophobicContact CE2-CB 4.03Å; Y30-K329 HydrophobicContact CE2-CD 4.29Å; D31-K329 HydrophobicContact CB-CD 3.94Å; L34-K329 HydrophobicContact CD1-CD 4.16Å; L121-K329 HydrophobicContact CD1-CG 4.39Å; Q326-K329 PolarHBondContact O-NZ 3.15Å; E327-K329 PolarHBondContact O-N 3.49Å; K329-A331 PolarHBondContact O-N 2.94Å; K329-V332 PolarHBondContact O-N 3.07Å; K329-V332 VanDerWaalsContact O-N 3.12Å; K329-F333 HydrophobicContact CB-CD2 4.27Å; K329-F333 HydrophobicContact CB-CE2 3.71Å; K329-F333 HydrophobicContact CB-CZ 4.08Å; K329-F333 HydrophobicContact CG-CE2 4.21Å; K329-F333 HydrophobicContact CG-CZ 4.14Å; K329-F333 VanDerWaalsContact O-CD2 3.24Å; K329-F333 WeakPolarHBondContact O-CD2 3.3Å; K329-F333 WeakPolarHBondContact O-CG 3.35Å; K329-F333 PolarHBondContact O-N 3.06Å
330E98.4Very high98.6Very high75 Ų7534.5 Ų34.535%0.3517%0.171SC..Hα-helixtrans-60.1-35.4-179-66.7-176.6-115.800111.1Y30 R306 E334Y30-E330 HydrophobicContact CD1-CG 3.68Å; Y30-E330 HydrophobicContact CD2-CG 3.83Å; Y30-E330 HydrophobicContact CE1-CG 3.78Å; Y30-E330 WeakPolarHBondContact CE1-OE1 3.41Å; Y30-E330 HydrophobicContact CE2-CG 3.94Å; Y30-E330 HydrophobicContact CG-CG 3.7Å; R306-E330 VanDerWaalsContact NH2-C 3.31Å; E330-E334 WeakPolarHBondContact O-CB 3.41Å; E330-E334 PolarHBondContact O-N 3.2Å; E330-E334 VanDerWaalsContact O-N 3.09Å
331A98.6Very high98.6Very high3 Ų336.2 Ų36.23%0.02519%0.186CC..Hα-helixtrans-64.5-47175.700000112L243 R306 D328 K329 V335L243-A331 HydrophobicContact CD1-CB 4.1Å; R306-A331 HydrophobicContact CB-CB 4.42Å; D328-A331 PolarHBondContact O-N 2.98Å; K329-A331 PolarHBondContact O-N 2.94Å; A331-V335 WeakPolarHBondContact O-CB 3.48Å; A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 2.96Å
332V98.8Very high98.6Very high0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-62.9-47.1176.7171.40000111.5L121 W124 M125 V239 F242 D328 K329 V335 S336L121-V332 HydrophobicContact CD1-CB 4.48Å; L121-V332 HydrophobicContact CD1-CG1 4.31Å; L121-V332 HydrophobicContact CD1-CG2 4.49Å; W124-V332 HydrophobicContact CE3-CG1 4.02Å; W124-V332 HydrophobicContact CH2-CG1 4.41Å; W124-V332 HydrophobicContact CZ3-CG1 3.51Å; M125-V332 HydrophobicContact CE-CG1 4.41Å; M125-V332 HydrophobicContact CE-CG2 4.26Å; M125-V332 HydrophobicContact CG-CG1 3.79Å; M125-V332 HydrophobicContact SD-CG1 4.03Å; M125-V332 HydrophobicContact SD-CG2 3.93Å; V239-V332 HydrophobicContact CB-CG2 4.37Å; V239-V332 HydrophobicContact CG1-CG2 3.39Å; V239-V332 HydrophobicContact CG2-CG2 4.22Å; F242-V332 HydrophobicContact CE1-CG1 4.47Å; D328-V332 WeakPolarHBondContact O-CG2 3.49Å; D328-V332 PolarHBondContact O-N 3.06Å; D328-V332 VanDerWaalsContact O-N 3.08Å; K329-V332 PolarHBondContact O-N 3.07Å; K329-V332 VanDerWaalsContact O-N 3.12Å; V332-V335 PolarHBondContact O-N 2.92Å; V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.49Å; V332-S336 PolarHBondContact O-N 3.39Å; V332-S336 PolarHBondContact O-OG 3.26Å
333F98.6Very high98.7Very high13 Ų1331.5 Ų31.56%0.05717%0.166CC..Hα-helixtrans-65.2-51.2-174.5-59.6-28000111.5Y30 H33 L34 L121 W124 K329 V335 S336 D337Y30-F333 HydrophobicContact CD2-CE2 4.27Å; Y30-F333 WeakPolarHBondContact O-CE2 3.44Å; H33-F333 HydrophobicContact CB-CZ 4.47Å; L34-F333 HydrophobicContact CD1-CZ 4.3Å; L34-F333 HydrophobicContact CD2-CE1 4.09Å; L34-F333 HydrophobicContact CD2-CZ 3.88Å; L34-F333 HydrophobicContact CG-CZ 3.93Å; L121-F333 HydrophobicContact CD1-CE1 4.37Å; W124-F333 HydrophobicContact CD2-CD1 4.47Å; W124-F333 HydrophobicContact CD2-CE1 4.03Å; W124-F333 HydrophobicContact CE3-CD1 4.36Å; W124-F333 HydrophobicContact CE3-CE1 4.15Å; W124-F333 AromaticContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CD1 3.79Å; W124-F333 HydrophobicContact CH2-CE1 4.31Å; W124-F333 AromaticContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CD1 3.88Å; W124-F333 HydrophobicContact CZ2-CE1 4.17Å; W124-F333 HydrophobicContact CZ3-CD1 4.06Å; W124-F333 HydrophobicContact CZ3-CE1 4.31Å; K329-F333 HydrophobicContact CB-CD2 4.27Å; K329-F333 HydrophobicContact CB-CE2 3.71Å; K329-F333 HydrophobicContact CB-CZ 4.08Å; K329-F333 HydrophobicContact CG-CE2 4.21Å; K329-F333 HydrophobicContact CG-CZ 4.14Å; K329-F333 VanDerWaalsContact O-CD2 3.24Å; K329-F333 WeakPolarHBondContact O-CD2 3.3Å; K329-F333 WeakPolarHBondContact O-CG 3.35Å; K329-F333 PolarHBondContact O-N 3.06Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.29Å; F333-S336 PolarHBondContact O-N 2.81Å; F333-D337 PolarHBondContact O-N 3Å
334E98.7Very high98.7Very high64 Ų6432.4 Ų32.430%0.29917%0.171SC..Hα-helixtrans-59.2-42.6179.5-175.3-175.6-164.700111.8R302 R306 E330 T338R302-E334 WeakPolarHBondContact CD-OE1 3.26Å; R302-E334 IonicContact CZ-OE1 3.78Å; R302-E334 IonicContact NE-OE1 3.16Å; R302-E334 PolarHBondContact NE-OE1 3.27Å; R306-E334 WeakPolarHBondContact CD-OE2 3.46Å; R306-E334 IonicContact CZ-OE2 3.31Å; R306-E334 IonicContact NE-OE2 3.67Å; R306-E334 PolarHBondContact NE-OE2 3.42Å; E330-E334 WeakPolarHBondContact O-CB 3.41Å; E330-E334 PolarHBondContact O-N 3.2Å; E330-E334 VanDerWaalsContact O-N 3.09Å; E334-T338 VanDerWaalsContact O-CB 3.3Å; E334-T338 WeakPolarHBondContact O-CB 3.2Å; E334-T338 PolarHBondContact O-N 3.45Å; E334-T338 PolarHBondContact O-OG1 2.96Å
335V98.9Very high98.7Very high1 Ų130.9 Ų30.91%0.00617%0.165CC..Hα-helixtrans-70.2-38.3180171.50000111.5F242 L243 A246 V303 R306 A331 V332 F333 T338 M339F242-V335 HydrophobicContact CE1-CB 4.23Å; F242-V335 HydrophobicContact CE1-CG1 3.84Å; F242-V335 HydrophobicContact CZ-CG1 4.24Å; L243-V335 HydrophobicContact CD2-CB 3.83Å; L243-V335 HydrophobicContact CD2-CG1 4.03Å; L243-V335 HydrophobicContact CD2-CG2 3.58Å; A246-V335 HydrophobicContact CB-CG1 3.44Å; A246-V335 VanDerWaalsContact CB-CG1 3.44Å; V303-V335 HydrophobicContact CG1-CG1 3.91Å; V303-V335 HydrophobicContact CG1-CG2 4.21Å; V303-V335 HydrophobicContact CG2-CG1 4.39Å; V303-V335 HydrophobicContact CG2-CG2 4.34Å; R306-V335 HydrophobicContact CB-CG2 3.9Å; R306-V335 HydrophobicContact CG-CG2 3.96Å; A331-V335 WeakPolarHBondContact O-CB 3.48Å; A331-V335 WeakPolarHBondContact O-CG2 3.42Å; A331-V335 PolarHBondContact O-N 2.96Å; V332-V335 PolarHBondContact O-N 2.92Å; F333-V335 VanDerWaalsContact C-N 3.3Å; F333-V335 PolarHBondContact O-N 3.29Å; V335-T338 PolarHBondContact O-N 3.48Å; V335-M339 HydrophobicContact CG1-CG 4.08Å; V335-M339 WeakPolarHBondContact O-CB 3.32Å; V335-M339 VanDerWaalsContact O-CG 3.26Å; V335-M339 WeakPolarHBondContact O-CG 3.35Å; V335-M339 PolarHBondContact O-N 3.14Å
336S98.9Very high98.7Very high2 Ų230.6 Ų30.61%0.01416%0.163CC..Hα-helixtrans-62.5-44.4177.7-62.80000112.3W124 F242 V332 F333 S340W124-S336 WeakPolarHBondContact CH2-OG 3.28Å; W124-S336 WeakPolarHBondContact CZ3-OG 3.21Å; F242-S336 WeakPolarHBondContact CZ-OG 3.17Å; V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.49Å; V332-S336 PolarHBondContact O-N 3.39Å; V332-S336 PolarHBondContact O-OG 3.26Å; F333-S336 PolarHBondContact O-N 2.81Å; S336-S340 WeakPolarHBondContact O-CB 3.27Å; S336-S340 PolarHBondContact O-N 3.41Å; S336-S340 PolarHBondContact O-OG 3.46Å
337D98.7Very high98.8Very high107 Ų10730.4 Ų30.457%0.57216%0.164SC*.Hα-helixtrans-65.8-43.9176.4-71.7-21.6000111.1F333 M339 S340 A341F333-D337 PolarHBondContact O-N 3Å; D337-M339 PolarHBondContact O-N 3.39Å; D337-S340 PolarHBondContact O-N 3.32Å; D337-A341 WeakPolarHBondContact O-CB 3.03Å; D337-A341 PolarHBondContact O-N 3.38Å
338T98.9Very high98.8Very high18 Ų1826.9 Ų26.911%0.1115%0.15CC..Hα-helixtrans-59.2-49.1177.4-63.70000111.4K299 V303 E334 V335 A341 V342K299-T338 HydrophobicContact CB-CG2 3.8Å; K299-T338 HydrophobicContact CD-CG2 3.91Å; K299-T338 HydrophobicContact CG-CG2 3.98Å; V303-T338 HydrophobicContact CG2-CG2 3.79Å; E334-T338 VanDerWaalsContact O-CB 3.3Å; E334-T338 WeakPolarHBondContact O-CB 3.2Å; E334-T338 PolarHBondContact O-N 3.45Å; E334-T338 PolarHBondContact O-OG1 2.96Å; V335-T338 PolarHBondContact O-N 3.48Å; T338-A341 PolarHBondContact O-N 3.19Å; T338-V342 HydrophobicContact CG2-CG2 4.27Å; T338-V342 VanDerWaalsContact O-CB 3.29Å; T338-V342 WeakPolarHBondContact O-CB 3.47Å; T338-V342 VanDerWaalsContact O-CG2 3.29Å; T338-V342 WeakPolarHBondContact O-CG2 3.35Å; T338-V342 PolarHBondContact O-N 3.34Å
339M98.9Very high98.8Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-63.5-43.6179.6-71.1-53.6-62.200111.4L132 W245 A246 C249 M250 V335 D337 A341 V342 L343L132-M339 HydrophobicContact CD1-CB 4.5Å; L132-M339 HydrophobicContact CD2-CB 3.73Å; W245-M339 HydrophobicContact CH2-CE 4.03Å; W245-M339 HydrophobicContact CH2-CG 4.46Å; W245-M339 HydrophobicContact CZ2-CE 4.49Å; W245-M339 HydrophobicContact CZ3-CE 4.44Å; W245-M339 HydrophobicContact CZ3-CG 4.22Å; A246-M339 HydrophobicContact CB-CG 3.87Å; A246-M339 HydrophobicContact CB-SD 3.93Å; C249-M339 HydrophobicContact CB-CE 3.91Å; M250-M339 HydrophobicContact CG-CE 4.48Å; M250-M339 HydrophobicContact CG-SD 3.61Å; M250-M339 HydrophobicContact SD-CE 4.38Å; M250-M339 HydrophobicContact SD-SD 3.73Å; V335-M339 HydrophobicContact CG1-CG 4.08Å; V335-M339 WeakPolarHBondContact O-CB 3.32Å; V335-M339 VanDerWaalsContact O-CG 3.26Å; V335-M339 WeakPolarHBondContact O-CG 3.35Å; V335-M339 PolarHBondContact O-N 3.14Å; D337-M339 PolarHBondContact O-N 3.39Å; M339-A341 PolarHBondContact O-N 3.34Å; M339-V342 PolarHBondContact O-N 3.37Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 WeakPolarHBondContact O-CG 3.42Å; M339-L343 PolarHBondContact O-N 3.39Å
340S98.9Very high98.8Very high24 Ų2426.5 Ų26.517%0.16815%0.148CC..Hα-helixtrans-60.6-46.3178.6-60.20000111.6L132 S336 D337 Q344L132-S340 WeakPolarHBondContact CD2-OG 3.45Å; S336-S340 WeakPolarHBondContact O-CB 3.27Å; S336-S340 PolarHBondContact O-N 3.41Å; S336-S340 PolarHBondContact O-OG 3.46Å; D337-S340 PolarHBondContact O-N 3.32Å; S340-Q344 WeakPolarHBondContact O-CG 3.42Å; S340-Q344 PolarHBondContact O-N 3.43Å; S340-Q344 PolarHBondContact O-NE2 2.83Å
341A98.8Very high98.8Very high52 Ų5226.4 Ų26.443%0.4316%0.156SC..Hα-helixtrans-66-47.6178.300000111.7D337 T338 M339 L343 Q344 V345D337-A341 WeakPolarHBondContact O-CB 3.03Å; D337-A341 PolarHBondContact O-N 3.38Å; T338-A341 PolarHBondContact O-N 3.19Å; M339-A341 PolarHBondContact O-N 3.34Å; A341-L343 PolarHBondContact O-N 2.92Å; A341-Q344 PolarHBondContact O-N 2.77Å; A341-V345 VanDerWaalsContact O-CG2 3.3Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å; A341-V345 PolarHBondContact O-N 2.93Å
342V98.9Very high98.8Very high9 Ų928.9 Ų28.96%0.05517%0.171CC..Hα-helixtrans-62.3-44.1-178.1162.30000111.6M250 L253 I296 K299 T338 M339 Q344 V345 A346M250-V342 HydrophobicContact CE-CG1 4.07Å; M250-V342 HydrophobicContact CE-CG2 4.26Å; M250-V342 HydrophobicContact SD-CB 4.27Å; M250-V342 HydrophobicContact SD-CG1 3.7Å; M250-V342 HydrophobicContact SD-CG2 4.31Å; L253-V342 HydrophobicContact CD1-CG1 3.53Å; I296-V342 HydrophobicContact CG1-CG1 4.13Å; I296-V342 HydrophobicContact CG2-CG1 4.08Å; K299-V342 HydrophobicContact CB-CG2 4.16Å; K299-V342 HydrophobicContact CG-CG2 4.13Å; T338-V342 HydrophobicContact CG2-CG2 4.27Å; T338-V342 VanDerWaalsContact O-CB 3.29Å; T338-V342 WeakPolarHBondContact O-CB 3.47Å; T338-V342 VanDerWaalsContact O-CG2 3.29Å; T338-V342 WeakPolarHBondContact O-CG2 3.35Å; T338-V342 PolarHBondContact O-N 3.34Å; M339-V342 PolarHBondContact O-N 3.37Å; V342-Q344 PolarHBondContact O-N 3.18Å; V342-V345 PolarHBondContact O-N 3.42Å; V342-A346 WeakPolarHBondContact O-CB 3.41Å; V342-A346 PolarHBondContact O-N 3.28Å
343L98.9Very high98.8Very high0 Ų029.1 Ų29.10%017%0.172CC..Hα-helixtrans-62.7-42179.1-71.2170.2000111.8L132 L135 L136 L139 L253 M339 A341 T347L132-L343 HydrophobicContact CD2-CD1 4.1Å; L135-L343 HydrophobicContact CB-CB 4.09Å; L135-L343 HydrophobicContact CB-CD1 4.03Å; L136-L343 HydrophobicContact CB-CD1 4.34Å; L136-L343 HydrophobicContact CB-CD2 4.45Å; L136-L343 HydrophobicContact CD1-CD2 3.85Å; L139-L343 HydrophobicContact CD2-CD2 4Å; L253-L343 HydrophobicContact CD1-CD2 4.18Å; M339-L343 WeakPolarHBondContact O-CB 3.49Å; M339-L343 WeakPolarHBondContact O-CG 3.42Å; M339-L343 PolarHBondContact O-N 3.39Å; A341-L343 PolarHBondContact O-N 2.92Å; L343-T347 WeakPolarHBondContact O-CB 3.34Å; L343-T347 PolarHBondContact O-N 3.48Å; L343-T347 PolarHBondContact O-OG1 3.45Å
344Q98.9Very high98.8Very high110 Ų11034.1 Ų34.151%0.51420%0.196SC..Hα-helixtrans-67-44176.8-72.4173.590.300112.1L135 S340 A341 V342 T347 G348L135-Q344 HydrophobicContact CD1-CG 4.25Å; L135-Q344 HydrophobicContact CD2-CG 3.72Å; S340-Q344 WeakPolarHBondContact O-CG 3.42Å; S340-Q344 PolarHBondContact O-N 3.43Å; S340-Q344 PolarHBondContact O-NE2 2.83Å; A341-Q344 PolarHBondContact O-N 2.77Å; V342-Q344 PolarHBondContact O-N 3.18Å; Q344-T347 WeakPolarHBondContact O-CB 3.48Å; Q344-T347 PolarHBondContact O-N 3.42Å; Q344-G348 PolarHBondContact O-N 3.41Å
345V98.9Very high98.8Very high48 Ų4832.2 Ų32.229%0.29119%0.187SC..Hα-helixtrans-64.5-44.1177.1173.30000110.9Y277 I296 A341 V342 T347 G348 V349Y277-V345 HydrophobicContact CD1-CG1 4.33Å; I296-V345 HydrophobicContact CD1-CG1 4.14Å; A341-V345 VanDerWaalsContact O-CG2 3.3Å; A341-V345 WeakPolarHBondContact O-CG2 3.34Å; A341-V345 PolarHBondContact O-N 2.93Å; V342-V345 PolarHBondContact O-N 3.42Å; V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 3.08Å; V345-G348 PolarHBondContact O-N 2.9Å; V345-V349 HydrophobicContact CG1-CG2 4.34Å; V345-V349 WeakPolarHBondContact O-CG2 3.2Å; V345-V349 PolarHBondContact O-N 3.47Å
346A98.9Very high98.8Very high0 Ų034.9 Ų34.90%020%0.199CC..Hα-helixtrans-59.3-42.217600000111.6L139 L253 M256 I296 V342 V349 I350L139-A346 HydrophobicContact CD1-CB 4.19Å; L139-A346 HydrophobicContact CD2-CB 4.06Å; L253-A346 HydrophobicContact CD2-CB 4.42Å; M256-A346 HydrophobicContact CE-CB 4.11Å; I296-A346 HydrophobicContact CD1-CB 4.03Å; V342-A346 WeakPolarHBondContact O-CB 3.41Å; V342-A346 PolarHBondContact O-N 3.28Å; A346-V349 PolarHBondContact O-N 3.47Å; A346-I350 WeakPolarHBondContact O-CG2 3.47Å; A346-I350 PolarHBondContact O-N 3.04Å
347T98.9Very high98.8Very high20 Ų2040.6 Ų40.612%0.12323%0.226CC..Hα-helixtrans-60.7-47.1175.6-58.20000110.9E138 L139 L343 Q344 V345 I350 S351E138-T347 HydrophobicContact CG-CG2 3.92Å; L139-T347 WeakPolarHBondContact CB-OG1 3.35Å; L343-T347 WeakPolarHBondContact O-CB 3.34Å; L343-T347 PolarHBondContact O-N 3.48Å; L343-T347 PolarHBondContact O-OG1 3.45Å; Q344-T347 WeakPolarHBondContact O-CB 3.48Å; Q344-T347 PolarHBondContact O-N 3.42Å; V345-T347 VanDerWaalsContact C-N 3.3Å; V345-T347 PolarHBondContact O-N 3.08Å; T347-I350 WeakPolarHBondContact O-CG2 3.4Å; T347-S351 WeakPolarHBondContact O-CB 3.4Å; T347-S351 PolarHBondContact O-N 3.27Å
348G98.8Very high98.8Very high9 Ų942.5 Ų42.59%0.09323%0.232CC..Hα-helixtrans-58.9-48.5176.100000112.9Y277 Q344 V345 S351 T352Y277-G348 WeakPolarHBondContact CE2-O 3.38Å; Y277-G348 VanDerWaalsContact CZ-CA 3.49Å; Y277-G348 WeakPolarHBondContact OH-CA 3.32Å; Q344-G348 PolarHBondContact O-N 3.41Å; V345-G348 PolarHBondContact O-N 2.9Å; G348-S351 PolarHBondContact O-N 3.23Å; G348-T352 PolarHBondContact O-N 2.88Å; G348-T352 PolarHBondContact O-OG1 3.23Å
349V98.8Very high98.8Very high1 Ų144.6 Ų44.61%0.00624%0.242CC..Hα-helixtrans-57.6-52.4178.8167.10000111.7L260 L273 Y277 S292 L293 V345 A346 S351 T352 L353L260-V349 HydrophobicContact CD1-CG1 4.27Å; L273-V349 HydrophobicContact CD2-CG1 3.88Å; Y277-V349 HydrophobicContact CD1-CG2 4.16Å; Y277-V349 HydrophobicContact CD2-CG2 4.32Å; Y277-V349 HydrophobicContact CG-CG2 3.82Å; S292-V349 WeakPolarHBondContact OG-CG2 3.36Å; L293-V349 HydrophobicContact CD2-CG1 3.8Å; L293-V349 HydrophobicContact CG-CG1 4.48Å; V345-V349 HydrophobicContact CG1-CG2 4.34Å; V345-V349 WeakPolarHBondContact O-CG2 3.2Å; V345-V349 PolarHBondContact O-N 3.47Å; A346-V349 PolarHBondContact O-N 3.47Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.35Å; V349-T352 PolarHBondContact O-N 2.89Å; V349-L353 WeakPolarHBondContact O-CB 3.46Å; V349-L353 PolarHBondContact O-N 3.39Å
350I98.6Very high98.8Very high0 Ų044.6 Ų44.60%024%0.242CC..Hα-helixtrans-70.1-31.4-178.2-16756.7000111.8L139 T142 M143 R146 A346 T347 L353L139-I350 HydrophobicContact CD1-CG2 3.87Å; T142-I350 HydrophobicContact CG2-CG2 3.91Å; M143-I350 HydrophobicContact CG-CG1 4.04Å; M143-I350 HydrophobicContact CG-CG2 4.15Å; R146-I350 VanDerWaalsContact CZ-O 3.23Å; R146-I350 PolarHBondContact NE-O 2.99Å; R146-I350 PolarHBondContact NH2-O 2.87Å; A346-I350 WeakPolarHBondContact O-CG2 3.47Å; A346-I350 PolarHBondContact O-N 3.04Å; T347-I350 WeakPolarHBondContact O-CG2 3.4Å; I350-L353 HydrophobicContact CD1-CD2 3.67Å; I350-L353 HydrophobicContact CD1-CG 4.38Å
351S98.7Very high98.8Very high73 Ų7344.9 Ų44.951%0.5125%0.248SC..Hα-helixtrans-66-39.5177.1-173.10000112T347 G348 V349T347-S351 WeakPolarHBondContact O-CB 3.4Å; T347-S351 PolarHBondContact O-N 3.27Å; G348-S351 PolarHBondContact O-N 3.23Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.35Å
352T98.7Very high98.7Very high55 Ų5549.3 Ų49.334%0.33726%0.26SS..Hα-helixtrans-107.2-9.6-169.766.70000116S274 Y277 G348 V349S274-T352 WeakPolarHBondContact CB-OG1 3.49Å; S274-T352 PolarHBondContact OG-OG1 3.43Å; Y277-T352 WeakPolarHBondContact CD2-OG1 3.34Å; Y277-T352 HydrophobicContact CE2-CG2 4.33Å; G348-T352 PolarHBondContact O-N 2.88Å; G348-T352 PolarHBondContact O-OG1 3.23Å; V349-T352 PolarHBondContact O-N 2.89Å
353L98.4Very high98.7Very high5 Ų549.1 Ų49.13%0.02626%0.26CS..  trans-59.3147.8179.170.882.3000111.6R146 W169 L260 V271 L273 V349 I350 I355R146-L353 PolarHBondContact NH2-O 3.01Å; W169-L353 HydrophobicContact CZ2-CD1 4.31Å; L260-L353 HydrophobicContact CD1-CD2 4.22Å; L260-L353 HydrophobicContact CD2-CD2 3.93Å; V271-L353 HydrophobicContact CB-CD1 4.47Å; V271-L353 HydrophobicContact CG1-CD1 4.35Å; L273-L353 HydrophobicContact CD2-CB 4.21Å; V349-L353 WeakPolarHBondContact O-CB 3.46Å; V349-L353 PolarHBondContact O-N 3.39Å; I350-L353 HydrophobicContact CD1-CD2 3.67Å; I350-L353 HydrophobicContact CD1-CG 4.38Å; L353-I355 HydrophobicContact CD1-CG2 3.8Å
354Q98.7Very high98.7Very high119 Ų11949.7 Ų49.756%0.55626%0.263SS*.EExtended strand (participates in β ladder)trans-106145173.4-64.4178.128.600108.9V271 Q272V271-Q354 CarbonylContact C-O 3.4Å; V271-Q354 VanDerWaalsContact CA-O 3.26Å; V271-Q354 WeakPolarHBondContact CA-O 3.16Å; Q272-Q354 PolarHBondContact N-O 3.12Å; Q272-Q354 PolarHBondContact O-N 3.49Å
355I98.8Very high98.5Very high24 Ų2445.6 Ų45.612%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-105.7144.9174.462.7176.8000109.8E150 V153 W169 F270 V271 L353 Q357 M360E150-I355 HydrophobicContact CG-CD1 4.36Å; V153-I355 HydrophobicContact CB-CD1 4.37Å; V153-I355 HydrophobicContact CG1-CD1 4.13Å; V153-I355 HydrophobicContact CG2-CD1 3.8Å; W169-I355 HydrophobicContact CZ2-CG2 3.99Å; F270-I355 WeakPolarHBondContact O-CA 3.44Å; V271-I355 HydrophobicContact CG1-CG2 4.23Å; L353-I355 HydrophobicContact CD1-CG2 3.8Å; I355-Q357 HydrophobicContact CD1-CG 3.94Å; I355-Q357 HydrophobicContact CG1-CG 4.09Å; I355-M360 HydrophobicContact CB-CE 3.98Å; I355-M360 HydrophobicContact CB-SD 4.31Å; I355-M360 HydrophobicContact CG2-CE 3.97Å
356H98.7Very high98.4Very high56 Ų5644.5 Ų44.526%0.25924%0.24SC..  trans-102.782.8173.8-61.6-59.2000108.9S269 F270 Q272 E358 N359 M360S269-H356 WeakPolarHBondContact O-CB 3.39Å; S269-H356 PolarHBondContact O-CD2 3.27Å; S269-H356 VanDerWaalsContact O-CD2 3.25Å; F270-H356 PolarHBondContact O-N 2.73Å; Q272-H356 WeakPolarHBondContact CB-NE2 3.23Å; H356-E358 PolarHBondContact O-N 2.68Å; H356-E358 VanDerWaalsContact O-N 3.17Å; H356-N359 HydrophobicContact CB-CB 3.94Å; H356-N359 WeakPolarHBondContact CB-ND2 3.46Å; H356-N359 PolarHBondContact O-N 2.86Å; H356-M360 PolarHBondContact O-N 3.28Å
357Q98.6Very high98Very high122 Ų12249 Ų4957%0.5726%0.264SS*.Hα-helixtrans-54.8-37.1-175.2-61.5-174.837.200112.5V153 I355 M360 G361V153-Q357 HydrophobicContact CG1-CG 4.04Å; V153-Q357 HydrophobicContact CG2-CG 3.88Å; I355-Q357 HydrophobicContact CD1-CG 3.94Å; I355-Q357 HydrophobicContact CG1-CG 4.09Å; Q357-M360 PolarHBondContact O-N 3.01Å; Q357-G361 PolarHBondContact O-N 2.71Å
358E98.7Very high97.9Very high148 Ų14848.3 Ų48.369%0.69226%0.26SS*.Hα-helixtrans-61.9-51.1175.5-174.2176.4-168.700111.5H356 M360 G361 Q362H356-E358 PolarHBondContact O-N 2.68Å; H356-E358 VanDerWaalsContact O-N 3.17Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.5Å; E358-G361 PolarHBondContact O-N 3.09Å; E358-G361 VanDerWaalsContact O-N 3.16Å; E358-Q362 HydrophobicContact CG-CG 4.36Å; E358-Q362 WeakPolarHBondContact O-CB 3.27Å; E358-Q362 VanDerWaalsContact O-CG 3.29Å; E358-Q362 WeakPolarHBondContact O-CG 3.17Å; E358-Q362 PolarHBondContact O-N 2.74Å
359N98.7Very high97.8Very high62 Ų6248 Ų4833%0.33226%0.255SS..Hα-helixtrans-62.5-38.9178.8-65-16.7000112.1S269 H356 Q362 A363S269-N359 VanDerWaalsContact O-CB 3.32Å; S269-N359 WeakPolarHBondContact O-CB 3.37Å; S269-N359 PolarHBondContact O-ND2 3.47Å; H356-N359 HydrophobicContact CB-CB 3.94Å; H356-N359 WeakPolarHBondContact CB-ND2 3.46Å; H356-N359 PolarHBondContact O-N 2.86Å; N359-Q362 PolarHBondContact O-N 3.01Å; N359-A363 PolarHBondContact O-N 3.36Å; N359-A363 VanDerWaalsContact O-N 3.09Å
360M98.8Very high97.7Very high0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-61-44.6174.4-73.3-179.116500111.6V153 L154 F155 W169 F270 V271 I355 H356 Q357 E358 A363V153-M360 HydrophobicContact CG1-SD 3.7Å; L154-M360 WeakPolarHBondContact O-CB 3.41Å; F155-M360 HydrophobicContact CB-CB 3.71Å; F155-M360 HydrophobicContact CB-CG 3.9Å; F155-M360 HydrophobicContact CB-SD 4.11Å; W169-M360 HydrophobicContact CD2-CE 4.04Å; W169-M360 HydrophobicContact CE3-CE 3.77Å; W169-M360 HydrophobicContact CZ3-CE 4.07Å; F270-M360 HydrophobicContact CB-CE 3.82Å; F270-M360 HydrophobicContact CB-CG 3.88Å; F270-M360 HydrophobicContact CD1-CG 3.98Å; F270-M360 HydrophobicContact CG-CG 3.97Å; V271-M360 HydrophobicContact CG1-CE 4.04Å; I355-M360 HydrophobicContact CB-CE 3.98Å; I355-M360 HydrophobicContact CB-SD 4.31Å; I355-M360 HydrophobicContact CG2-CE 3.97Å; H356-M360 PolarHBondContact O-N 3.28Å; Q357-M360 PolarHBondContact O-N 3.01Å; E358-M360 VanDerWaalsContact C-N 3.31Å; E358-M360 PolarHBondContact O-N 3.5Å; M360-A363 PolarHBondContact O-N 3.16Å
361G98.5Very high97.6Very high29 Ų2951.7 Ų51.730%0.29928%0.28SS..Hα-helixtrans-68.1-40.6176.600000113.3Q357 E358 A363 L364Q357-G361 PolarHBondContact O-N 2.71Å; E358-G361 PolarHBondContact O-N 3.09Å; E358-G361 VanDerWaalsContact O-N 3.16Å; G361-A363 PolarHBondContact O-N 3.02Å; G361-L364 VanDerWaalsContact O-CB 3.27Å; G361-L364 WeakPolarHBondContact O-CB 3.35Å; G361-L364 WeakPolarHBondContact O-CG 3.07Å; G361-L364 PolarHBondContact O-N 2.75Å
362Q98.3Very high97.6Very high146 Ų14648.3 Ų48.368%0.68226%0.256SS*.Hα-helixtrans-67.5-21.5177.1-69.5-60.8-28.100113E358 N359 L364E358-Q362 HydrophobicContact CG-CG 4.36Å; E358-Q362 WeakPolarHBondContact O-CB 3.27Å; E358-Q362 VanDerWaalsContact O-CG 3.29Å; E358-Q362 WeakPolarHBondContact O-CG 3.17Å; E358-Q362 PolarHBondContact O-N 2.74Å; N359-Q362 PolarHBondContact O-N 3.01Å; Q362-L364 PolarHBondContact O-N 3.47Å
363A98.5Very high97.5Very high5 Ų545.7 Ų45.74%0.04124%0.24CC..THydrogen-bonded Turntrans-76.6-10.4173.200000113.5P156 R163 F270 N359 M360 G361 M368P156-A363 HydrophobicContact CG-CB 3.9Å; R163-A363 VanDerWaalsContact CZ-O 3.28Å; R163-A363 PolarHBondContact NE-O 2.94Å; R163-A363 PolarHBondContact NH1-O 2.77Å; F270-A363 HydrophobicContact CE1-CB 3.54Å; F270-A363 HydrophobicContact CZ-CB 3.59Å; N359-A363 PolarHBondContact O-N 3.36Å; N359-A363 VanDerWaalsContact O-N 3.09Å; M360-A363 PolarHBondContact O-N 3.16Å; G361-A363 PolarHBondContact O-N 3.02Å; A363-M368 WeakPolarHBondContact O-CE 3.22Å
364L98.4Very high97.5Very high12 Ų1245.5 Ų45.56%0.06324%0.239CC..  trans-78.5128.4170.7-55.6178.4000109.7L154 P156 P166 G361 Q362 M368 Y430L154-L364 HydrophobicContact CB-CD1 4.07Å; P156-L364 HydrophobicContact CB-CD2 4.22Å; P166-L364 HydrophobicContact CB-CD1 4.34Å; P166-L364 HydrophobicContact CB-CD2 3.87Å; P166-L364 HydrophobicContact CG-CD2 4.14Å; G361-L364 VanDerWaalsContact O-CB 3.27Å; G361-L364 WeakPolarHBondContact O-CB 3.35Å; G361-L364 WeakPolarHBondContact O-CG 3.07Å; G361-L364 PolarHBondContact O-N 2.75Å; Q362-L364 PolarHBondContact O-N 3.47Å; L364-M368 HydrophobicContact CD2-SD 4.08Å; L364-Y430 VanDerWaalsContact C-OH 3.29Å; L364-Y430 HydrophobicContact CB-CD1 4.18Å; L364-Y430 HydrophobicContact CB-CD2 3.87Å; L364-Y430 HydrophobicContact CB-CE1 3.92Å; L364-Y430 HydrophobicContact CB-CE2 3.56Å; L364-Y430 HydrophobicContact CB-CG 4.17Å; L364-Y430 HydrophobicContact CD1-CD1 4.33Å; L364-Y430 HydrophobicContact CD1-CD2 3.65Å; L364-Y430 HydrophobicContact CD1-CE2 4.22Å; L364-Y430 HydrophobicContact CD1-CG 3.71Å; L364-Y430 HydrophobicContact CG-CD2 4.42Å; L364-Y430 PolarHBondContact O-OH 3.25Å; L364-Y430 VanDerWaalsContact O-OH 3.04Å
365S95.8Very high97.5Very high23 Ų2343.5 Ų43.516%0.16123%0.227CC..  trans-124145.2-177.358.30000111.6D367 M368 Y430S365-D367 WeakPolarHBondContact CB-OD2 3.4Å; S365-D367 PolarHBondContact O-N 3.3Å; S365-D367 VanDerWaalsContact O-N 3.11Å; S365-D367 VanDerWaalsContact OG-CG 3.32Å; S365-D367 PolarHBondContact OG-OD1 2.9Å; S365-D367 PolarHBondContact OG-OD2 3Å; S365-M368 WeakPolarHBondContact O-CB 3.42Å; S365-M368 WeakPolarHBondContact O-CG 3.02Å; S365-M368 PolarHBondContact O-N 3.42Å; S365-Y430 WeakPolarHBondContact CA-OH 3.3Å; S365-Y430 PolarHBondContact N-OH 3.31Å
366P95.3Very high97.5Very high26 Ų2643.2 Ų43.217%0.16923%0.225CC..G310 helixtrans-59.9-23.4-175.2-28.937.3000115.1M368 L369 A404 L405 N406 Y430P366-M368 PolarHBondContact O-N 2.66Å; P366-L369 WeakPolarHBondContact O-CB 3.32Å; P366-L369 PolarHBondContact O-N 3.03Å; P366-L369 VanDerWaalsContact O-N 3.08Å; P366-A404 HydrophobicContact CB-CB 4.37Å; P366-A404 HydrophobicContact CG-CB 4.19Å; P366-L405 HydrophobicContact CB-CB 4.39Å; P366-N406 HydrophobicContact CB-CB 4.17Å; P366-N406 WeakPolarHBondContact CG-OD1 3.36Å; P366-Y430 WeakPolarHBondContact CD-OH 3.4Å
367D92.1Very high97.5Very high94 Ų9440.6 Ų40.650%0.50321%0.212SC..G310 helixtrans-62.2-28.5174.856.796.4000112.9S365 L369 A370S365-D367 WeakPolarHBondContact CB-OD2 3.4Å; S365-D367 PolarHBondContact O-N 3.3Å; S365-D367 VanDerWaalsContact O-N 3.11Å; S365-D367 VanDerWaalsContact OG-CG 3.32Å; S365-D367 PolarHBondContact OG-OD1 2.9Å; S365-D367 PolarHBondContact OG-OD2 3Å; D367-L369 PolarHBondContact O-N 3.01Å; D367-L369 VanDerWaalsContact O-N 3.16Å; D367-A370 VanDerWaalsContact O-CB 3.27Å; D367-A370 WeakPolarHBondContact O-CB 3.47Å; D367-A370 PolarHBondContact O-N 2.78Å; D367-A370 VanDerWaalsContact O-N 3.11Å
368M95.9Very high97.5Very high6 Ų637.3 Ų37.33%0.0320%0.201CC..G310 helixtrans-60.1-26.6173.5-61.8176179.100112.3P156 R163 P166 A363 L364 S365 P366 A370P156-M368 HydrophobicContact CB-CE 3.77Å; R163-M368 HydrophobicContact CB-CE 3.49Å; R163-M368 VanDerWaalsContact CB-CE 3.49Å; R163-M368 HydrophobicContact CG-CE 3.65Å; P166-M368 HydrophobicContact CG-SD 4.34Å; A363-M368 WeakPolarHBondContact O-CE 3.22Å; L364-M368 HydrophobicContact CD2-SD 4.08Å; S365-M368 WeakPolarHBondContact O-CB 3.42Å; S365-M368 WeakPolarHBondContact O-CG 3.02Å; S365-M368 PolarHBondContact O-N 3.42Å; P366-M368 PolarHBondContact O-N 2.66Å; M368-A370 VanDerWaalsContact C-N 3.26Å; M368-A370 PolarHBondContact O-N 2.88Å
369L97.7Very high97.5Very high1 Ų137.2 Ų37.21%0.00519%0.194CC..G310 helixtrans-83.41.2-177.7-57.9170000112.8P366 D367 T371 D372 L373 V427 W428 Y430P366-L369 WeakPolarHBondContact O-CB 3.32Å; P366-L369 PolarHBondContact O-N 3.03Å; P366-L369 VanDerWaalsContact O-N 3.08Å; D367-L369 PolarHBondContact O-N 3.01Å; D367-L369 VanDerWaalsContact O-N 3.16Å; L369-T371 PolarHBondContact O-N 3.03Å; L369-D372 HydrophobicContact CD2-CB 4.45Å; L369-D372 WeakPolarHBondContact O-CB 3.36Å; L369-D372 PolarHBondContact O-N 3.21Å; L369-D372 VanDerWaalsContact O-N 3.15Å; L369-L373 PolarHBondContact O-N 3.14Å; L369-V427 HydrophobicContact CB-CG1 4.34Å; L369-V427 WeakPolarHBondContact CD1-O 3.32Å; L369-W428 HydrophobicContact CB-CE3 4.34Å; L369-W428 HydrophobicContact CB-CZ3 4.32Å; L369-W428 HydrophobicContact CD1-CE3 4.18Å; L369-Y430 HydrophobicContact CD1-CD1 3.93Å; L369-Y430 HydrophobicContact CD1-CE1 3.64Å; L369-Y430 HydrophobicContact CD2-CD1 3.99Å; L369-Y430 HydrophobicContact CD2-CE1 4.32Å; L369-Y430 HydrophobicContact CG-CD1 4.14Å; L369-Y430 HydrophobicContact CG-CE1 3.96Å
370A96.5Very high97.4Very high15 Ų1538.1 Ų38.112%0.12420%0.195CC..Hα-helixtrans-58.7-36.9172.700000112.1D367 M368 L373 A374 S391 V395 L405D367-A370 VanDerWaalsContact O-CB 3.27Å; D367-A370 WeakPolarHBondContact O-CB 3.47Å; D367-A370 PolarHBondContact O-N 2.78Å; D367-A370 VanDerWaalsContact O-N 3.11Å; M368-A370 VanDerWaalsContact C-N 3.26Å; M368-A370 PolarHBondContact O-N 2.88Å; A370-L373 PolarHBondContact O-N 3.34Å; A370-A374 PolarHBondContact O-N 2.86Å; A370-S391 WeakPolarHBondContact O-CB 3.3Å; A370-S391 PolarHBondContact O-OG 3.29Å; A370-V395 HydrophobicContact CB-CG2 3.54Å; A370-L405 HydrophobicContact CB-CD2 3.82Å
371T96.2Very high97.4Very high65 Ų6541.3 Ų41.340%0.39923%0.228SC..Hα-helixtrans-69.1-40.1175.8-56.10000111.2L369 L373 A374 Y375L369-T371 PolarHBondContact O-N 3.03Å; T371-L373 VanDerWaalsContact C-N 3.29Å; T371-L373 PolarHBondContact O-N 2.8Å; T371-A374 WeakPolarHBondContact O-CB 3.11Å; T371-A374 PolarHBondContact O-N 3.44Å; T371-A374 VanDerWaalsContact O-N 3.12Å; T371-Y375 HydrophobicContact CG2-CD2 4.25Å; T371-Y375 HydrophobicContact CG2-CE2 3.66Å; T371-Y375 PolarHBondContact O-N 3.47Å
372D97.9Very high97.4Very high1 Ų141.3 Ų41.31%0.00522%0.22CC..Hα-helixtrans-64.9-34.7176.9-7735.2000112.2L369 A374 Y375 Y376 V427 S433 Q436L369-D372 HydrophobicContact CD2-CB 4.45Å; L369-D372 WeakPolarHBondContact O-CB 3.36Å; L369-D372 PolarHBondContact O-N 3.21Å; L369-D372 VanDerWaalsContact O-N 3.15Å; D372-A374 VanDerWaalsContact C-N 3.31Å; D372-A374 PolarHBondContact O-N 3.12Å; D372-Y375 PolarHBondContact O-N 3.21Å; D372-Y376 PolarHBondContact O-N 2.99Å; D372-V427 HydrophobicContact CB-CG1 3.76Å; D372-S433 PolarHBondContact OD1-OG 2.87Å; D372-S433 WeakPolarHBondContact OD2-CA 3.43Å; D372-S433 WeakPolarHBondContact OD2-CB 3.48Å; D372-S433 PolarHBondContact OD2-OG 3.36Å; D372-Q436 PolarHBondContact OD2-NE2 3.23Å
373L97.8Very high97.4Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-63.5-38.1173.2-161.669.5000111.7L369 A370 T371 Y376 L377 A394 L413 F420 V424 V427 W428L369-L373 PolarHBondContact O-N 3.14Å; A370-L373 PolarHBondContact O-N 3.34Å; T371-L373 VanDerWaalsContact C-N 3.29Å; T371-L373 PolarHBondContact O-N 2.8Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 PolarHBondContact O-N 3.3Å; L373-L377 PolarHBondContact O-N 3.12Å; L373-A394 HydrophobicContact CD2-CB 3.65Å; L373-L413 HydrophobicContact CD2-CD2 4.31Å; L373-F420 HydrophobicContact CD1-CD1 4.4Å; L373-F420 HydrophobicContact CD1-CE1 3.47Å; L373-F420 VanDerWaalsContact CD1-CE1 3.47Å; L373-F420 HydrophobicContact CD1-CZ 4.02Å; L373-F420 HydrophobicContact CD2-CE1 4.32Å; L373-F420 HydrophobicContact CD2-CZ 4.01Å; L373-F420 HydrophobicContact CG-CE1 3.72Å; L373-F420 HydrophobicContact CG-CZ 3.79Å; L373-V424 HydrophobicContact CD1-CG2 3.53Å; L373-V427 HydrophobicContact CB-CG1 4.39Å; L373-V427 HydrophobicContact CD1-CG1 4.25Å; L373-W428 HydrophobicContact CD1-CH2 3.68Å; L373-W428 HydrophobicContact CD1-CZ2 4.27Å; L373-W428 HydrophobicContact CD1-CZ3 4.28Å; L373-W428 HydrophobicContact CD2-CH2 4.22Å; L373-W428 HydrophobicContact CG-CH2 4.47Å
374A98.3Very high97.4Very high1 Ų142.6 Ų42.61%0.00823%0.231CC..Hα-helixtrans-65.1-45.4171.500000111A370 T371 D372 Y376 L377 V378 A387A370-A374 PolarHBondContact O-N 2.86Å; T371-A374 WeakPolarHBondContact O-CB 3.11Å; T371-A374 PolarHBondContact O-N 3.44Å; T371-A374 VanDerWaalsContact O-N 3.12Å; D372-A374 VanDerWaalsContact C-N 3.31Å; D372-A374 PolarHBondContact O-N 3.12Å; A374-Y376 VanDerWaalsContact C-N 3.29Å; A374-Y376 PolarHBondContact O-N 3.35Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-L377 VanDerWaalsContact O-N 3.12Å; A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.5Å; A374-A387 HydrophobicContact CB-CB 4.23Å; A374-A387 WeakPolarHBondContact O-CB 3.42Å
375Y98.3Very high97.3Very high78 Ų7852.7 Ų52.731%0.30627%0.268SS..Hα-helixtrans-63-34.3177.8-66.2-36.1000113.3T371 D372 L377 V378 R379 F384T371-Y375 HydrophobicContact CG2-CD2 4.25Å; T371-Y375 HydrophobicContact CG2-CE2 3.66Å; T371-Y375 PolarHBondContact O-N 3.47Å; D372-Y375 PolarHBondContact O-N 3.21Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; Y375-L377 PolarHBondContact O-N 3.5Å; Y375-V378 PolarHBondContact O-N 3.47Å; Y375-R379 WeakPolarHBondContact O-CG 3.47Å; Y375-R379 PolarHBondContact O-N 3.18Å; Y375-F384 HydrophobicContact CD1-CE2 4.37Å; Y375-F384 HydrophobicContact CE1-CD2 4.44Å; Y375-F384 AromaticContact CE1-CE2 3.93Å; Y375-F384 HydrophobicContact CE1-CE2 3.93Å
376Y98.5Very high97.4Very high18 Ų1856.8 Ų56.87%0.07129%0.285CS..Hα-helixtrans-54.7-50171171.8-86.9000111.2D372 L373 A374 V378 R379 K380 F420 S421 D423 V424 V427D372-Y376 PolarHBondContact O-N 2.99Å; L373-Y376 WeakPolarHBondContact O-CB 3.36Å; L373-Y376 PolarHBondContact O-N 3.3Å; A374-Y376 VanDerWaalsContact C-N 3.29Å; A374-Y376 PolarHBondContact O-N 3.35Å; Y376-V378 PolarHBondContact O-N 2.95Å; Y376-R379 PolarHBondContact O-N 2.51Å; Y376-K380 HydrophobicContact CE1-CG 4.14Å; Y376-K380 VanDerWaalsContact CZ-CE 3.46Å; Y376-K380 WeakPolarHBondContact O-CG 3.43Å; Y376-K380 PolarHBondContact O-N 2.93Å; Y376-K380 WeakPolarHBondContact OH-CE 3.48Å; Y376-F420 AromaticContact CD1-CD1 3.87Å; Y376-F420 HydrophobicContact CD1-CD1 3.87Å; Y376-F420 AromaticContact CD1-CE1 3.9Å; Y376-F420 HydrophobicContact CD1-CE1 3.9Å; Y376-F420 AromaticContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CE1 4.17Å; Y376-S421 PolarHBondContact OH-N 3.35Å; Y376-S421 PolarHBondContact OH-OG 3.16Å; Y376-D423 PolarHBondContact OH-OD1 3.48Å; Y376-V424 HydrophobicContact CD1-CG2 4.43Å; Y376-V424 HydrophobicContact CE1-CB 4.44Å; Y376-V424 HydrophobicContact CE1-CG2 4.42Å; Y376-V424 HydrophobicContact CE2-CB 4.23Å; Y376-V427 HydrophobicContact CD2-CG2 4.15Å; Y376-V427 HydrophobicContact CG-CG2 4.28Å
377L98.5Very high97.6Very high0 Ų055.6 Ų55.60%028%0.277CS..Hα-helixtrans-66.5-37.3178.9-66.9175.7000112.4L373 A374 Y375 R379 K380 G381 M382 A387 A390 L419 F420L373-L377 PolarHBondContact O-N 3.12Å; A374-L377 PolarHBondContact O-N 3.26Å; A374-L377 VanDerWaalsContact O-N 3.12Å; Y375-L377 VanDerWaalsContact C-N 3.33Å; Y375-L377 PolarHBondContact O-N 3.5Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.41Å; L377-K380 CarbonylContact O-C 3.51Å; L377-K380 WeakPolarHBondContact O-CA 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.46Å; L377-K380 PolarHBondContact O-N 3.31Å; L377-G381 PolarHBondContact O-N 2.93Å; L377-M382 HydrophobicContact CB-CB 4.17Å; L377-M382 HydrophobicContact CB-SD 4.09Å; L377-M382 HydrophobicContact CD1-CE 4.33Å; L377-M382 HydrophobicContact CD1-SD 4.01Å; L377-M382 HydrophobicContact CD2-CE 4.41Å; L377-M382 VanDerWaalsContact O-CB 3.26Å; L377-M382 WeakPolarHBondContact O-CB 3.18Å; L377-M382 PolarHBondContact O-N 3.15Å; L377-M382 VanDerWaalsContact O-N 3.07Å; L377-A387 HydrophobicContact CB-CB 3.79Å; L377-A387 HydrophobicContact CD1-CB 4.41Å; L377-A390 HydrophobicContact CD1-CB 3.5Å; L377-A390 VanDerWaalsContact CD1-CB 3.5Å; L377-L419 HydrophobicContact CD2-CB 3.86Å; L377-F420 HydrophobicContact CD1-CE1 4.27Å; L377-F420 HydrophobicContact CD1-CE2 4.05Å; L377-F420 HydrophobicContact CD1-CZ 3.65Å; L377-F420 HydrophobicContact CD2-CD1 4.07Å; L377-F420 HydrophobicContact CD2-CD2 4.26Å; L377-F420 HydrophobicContact CD2-CE1 3.82Å; L377-F420 HydrophobicContact CD2-CE2 4.07Å; L377-F420 HydrophobicContact CD2-CG 4.3Å; L377-F420 HydrophobicContact CD2-CZ 3.85Å; L377-F420 HydrophobicContact CG-CE1 3.96Å; L377-F420 HydrophobicContact CG-CE2 4.44Å; L377-F420 HydrophobicContact CG-CZ 3.86Å
378V98.6Very high97.8Very high54 Ų5456.6 Ų56.633%0.32728%0.278SS..Hα-helixtrans-60.2-43.2174.6174.50000111.5A374 Y375 Y376 K380 G381 M382 F384 A387A374-V378 WeakPolarHBondContact O-CG2 3.33Å; A374-V378 PolarHBondContact O-N 3.5Å; Y375-V378 PolarHBondContact O-N 3.47Å; Y376-V378 PolarHBondContact O-N 2.95Å; V378-K380 PolarHBondContact O-N 2.6Å; V378-G381 PolarHBondContact O-N 3.44Å; V378-M382 WeakPolarHBondContact CA-O 3.47Å; V378-F384 HydrophobicContact CG2-CB 4.06Å; V378-F384 HydrophobicContact CG2-CD2 3.95Å; V378-A387 HydrophobicContact CG2-CB 3.65Å
379R97.9Very high97.9Very high146 Ų14661.5 Ų61.555%0.55130%0.301SS*.Hα-helixtrans-66-21.3176.2-68177.2-168.7109.21.3112.9Y375 Y376 L377 G381Y375-R379 WeakPolarHBondContact O-CG 3.47Å; Y375-R379 PolarHBondContact O-N 3.18Å; Y376-R379 PolarHBondContact O-N 2.51Å; L377-R379 VanDerWaalsContact C-N 3.31Å; L377-R379 PolarHBondContact O-N 3.41Å; R379-G381 VanDerWaalsContact C-N 3.26Å
380K98Very high97.9Very high81 Ų8161.8 Ų61.835%0.35230%0.304SS..THydrogen-bonded Turntrans-84.46.1170.7-60.8-78.8179.4169.70113.3Y376 L377 V378 L419 S421 D423Y376-K380 HydrophobicContact CE1-CG 4.14Å; Y376-K380 VanDerWaalsContact CZ-CE 3.46Å; Y376-K380 WeakPolarHBondContact O-CG 3.43Å; Y376-K380 PolarHBondContact O-N 2.93Å; Y376-K380 WeakPolarHBondContact OH-CE 3.48Å; L377-K380 CarbonylContact O-C 3.51Å; L377-K380 WeakPolarHBondContact O-CA 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.46Å; L377-K380 PolarHBondContact O-N 3.31Å; V378-K380 PolarHBondContact O-N 2.6Å; K380-L419 HydrophobicContact CB-CB 4.25Å; K380-L419 HydrophobicContact CB-CD1 4.09Å; K380-L419 HydrophobicContact CB-CD2 4.47Å; K380-S421 PolarHBondContact NZ-OG 3Å; K380-S421 VanDerWaalsContact NZ-OG 3.14Å; K380-D423 IonicContact NZ-OD1 2.68Å; K380-D423 IonicContact NZ-OD2 3.4Å; K380-D423 PolarHBondContact NZ-OD2 2.86Å
381G98Very high98Very high67 Ų6761.4 Ų61.469%0.69130%0.3SS*.THydrogen-bonded Turntrans963.6176.100000115L377 V378 R379L377-G381 PolarHBondContact O-N 2.93Å; V378-G381 PolarHBondContact O-N 3.44Å; R379-G381 VanDerWaalsContact C-N 3.26Å
382M98.3Very high98Very high28 Ų2860.1 Ų60.114%0.13830%0.299CS..  trans-75.4134.3177.2-170.6178-72.900111.2L377 V378 F384 Q386 A387 S417 L419L377-M382 HydrophobicContact CB-CB 4.17Å; L377-M382 HydrophobicContact CB-SD 4.09Å; L377-M382 HydrophobicContact CD1-CE 4.33Å; L377-M382 HydrophobicContact CD1-SD 4.01Å; L377-M382 HydrophobicContact CD2-CE 4.41Å; L377-M382 VanDerWaalsContact O-CB 3.26Å; L377-M382 WeakPolarHBondContact O-CB 3.18Å; L377-M382 PolarHBondContact O-N 3.15Å; L377-M382 VanDerWaalsContact O-N 3.07Å; V378-M382 WeakPolarHBondContact CA-O 3.47Å; M382-F384 PolarHBondContact O-N 3.34Å; M382-Q386 HydrophobicContact CG-CB 3.71Å; M382-Q386 VanDerWaalsContact SD-C 3.5Å; M382-Q386 HydrophobicContact SD-CB 3.81Å; M382-A387 HydrophobicContact CB-CB 4.49Å; M382-A387 HydrophobicContact CG-CB 4.26Å; M382-A387 WeakPolarHBondContact SD-CA 3.26Å; M382-A387 HydrophobicContact SD-CB 3.98Å; M382-A387 PolarHBondContact SD-N 3.41Å; M382-S417 WeakPolarHBondContact CE-OG 3.31Å; M382-L419 HydrophobicContact CB-CD1 4.07Å; M382-L419 HydrophobicContact CE-CD1 3.89Å
383P98.4Very high98Very high75 Ų7565 Ų6549%0.48732%0.32SS..  trans-56.1138.6169.6-26.334.4000112.5R385 Q386 A387P383-R385 VanDerWaalsContact C-N 3.31Å; P383-R385 PolarHBondContact O-N 3.13Å; P383-R385 VanDerWaalsContact O-N 3.15Å; P383-Q386 HydrophobicContact CB-CG 4.42Å; P383-Q386 WeakPolarHBondContact O-CB 3.23Å; P383-Q386 PolarHBondContact O-N 3.24Å; P383-A387 PolarHBondContact O-N 2.89Å
384F98.3Very high98Very high103 Ų10365 Ų6545%0.45232%0.32SS..Hα-helixtrans-54-40.5-173.5177.3-107.3000114.3Y375 V378 M382 Q386 A387 H388Y375-F384 HydrophobicContact CD1-CE2 4.37Å; Y375-F384 HydrophobicContact CE1-CD2 4.44Å; Y375-F384 AromaticContact CE1-CE2 3.93Å; Y375-F384 HydrophobicContact CE1-CE2 3.93Å; V378-F384 HydrophobicContact CG2-CB 4.06Å; V378-F384 HydrophobicContact CG2-CD2 3.95Å; M382-F384 PolarHBondContact O-N 3.34Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.64Å; F384-A387 PolarHBondContact O-N 3.3Å; F384-H388 WeakPolarHBondContact O-CB 3.41Å; F384-H388 PolarHBondContact O-N 3.11Å
385R97.3Very high97.9Very high224 Ų22466.7 Ų66.785%0.84533%0.331SS*.Hα-helixtrans-60.8-38.9177.4-74.2-172.9178.9172.90.2112.5P383 E389P383-R385 VanDerWaalsContact C-N 3.31Å; P383-R385 PolarHBondContact O-N 3.13Å; P383-R385 VanDerWaalsContact O-N 3.15Å; R385-E389 PolarHBondContact O-N 3.33Å
386Q98.3Very high97.8Very high110 Ų11069.6 Ų69.651%0.51435%0.345SS..Hα-helixtrans-72.1-39.6176.9-63.8177.7-0.200110.8M382 P383 F384 E389 A390M382-Q386 HydrophobicContact CG-CB 3.71Å; M382-Q386 VanDerWaalsContact SD-C 3.5Å; M382-Q386 HydrophobicContact SD-CB 3.81Å; P383-Q386 HydrophobicContact CB-CG 4.42Å; P383-Q386 WeakPolarHBondContact O-CB 3.23Å; P383-Q386 PolarHBondContact O-N 3.24Å; F384-Q386 VanDerWaalsContact C-N 3.29Å; F384-Q386 PolarHBondContact O-N 2.64Å; Q386-E389 PolarHBondContact O-N 2.93Å; Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.17Å
387A98.5Very high97.7Very high0 Ų070.9 Ų70.90%035%0.353CS..Hα-helixtrans-63.7-40.7176.100000112.4A374 L377 V378 M382 P383 F384 A390 S391A374-A387 HydrophobicContact CB-CB 4.23Å; A374-A387 WeakPolarHBondContact O-CB 3.42Å; L377-A387 HydrophobicContact CB-CB 3.79Å; L377-A387 HydrophobicContact CD1-CB 4.41Å; V378-A387 HydrophobicContact CG2-CB 3.65Å; M382-A387 HydrophobicContact CB-CB 4.49Å; M382-A387 HydrophobicContact CG-CB 4.26Å; M382-A387 WeakPolarHBondContact SD-CA 3.26Å; M382-A387 HydrophobicContact SD-CB 3.98Å; M382-A387 PolarHBondContact SD-N 3.41Å; P383-A387 PolarHBondContact O-N 2.89Å; F384-A387 PolarHBondContact O-N 3.3Å; A387-A390 PolarHBondContact O-N 3.12Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 3.15Å
388H97.8Very high97.7Very high115 Ų11571 Ų7153%0.53235%0.354SS..Hα-helixtrans-65.7-40.6173.9179.9-74.8000111.9F384 A390 S391 G392F384-H388 WeakPolarHBondContact O-CB 3.41Å; F384-H388 PolarHBondContact O-N 3.11Å; H388-A390 VanDerWaalsContact C-N 3.33Å; H388-S391 PolarHBondContact O-N 3.07Å; H388-S391 PolarHBondContact O-OG 3.14Å; H388-G392 PolarHBondContact O-N 3.33Å
389E97.7Very high97.5Very high109 Ų10975.1 Ų75.151%0.50937%0.369SS..Hα-helixtrans-63-41.7173.1-168.3-168.7148.300111.3R385 Q386 G392 K393R385-E389 PolarHBondContact O-N 3.33Å; Q386-E389 PolarHBondContact O-N 2.93Å; E389-G392 PolarHBondContact O-N 3.29Å; E389-K393 WeakPolarHBondContact O-CG 3.14Å; E389-K393 PolarHBondContact O-N 3.33Å; E389-K393 VanDerWaalsContact OE1-CE 3.23Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 3.45Å
390A97.8Very high97.4Very high8 Ų872.9 Ų72.97%0.06637%0.372CS..Hα-helixtrans-65.3-43176.900000112.4L377 Q386 A387 H388 G392 K393 A394 I416L377-A390 HydrophobicContact CD1-CB 3.5Å; L377-A390 VanDerWaalsContact CD1-CB 3.5Å; Q386-A390 WeakPolarHBondContact O-CB 3.45Å; Q386-A390 PolarHBondContact O-N 3.17Å; A387-A390 PolarHBondContact O-N 3.12Å; H388-A390 VanDerWaalsContact C-N 3.33Å; A390-G392 VanDerWaalsContact C-N 3.33Å; A390-K393 WeakPolarHBondContact O-CB 3.27Å; A390-K393 PolarHBondContact O-N 3.49Å; A390-A394 PolarHBondContact O-N 2.99Å; A390-I416 HydrophobicContact CB-CG2 3.99Å; A390-I416 WeakPolarHBondContact O-CG2 3.4Å
391S97.5Very high97.3Very high7 Ų774.3 Ų74.35%0.04938%0.378CS..Hα-helixtrans-65.7-37.4174.366.40000111.8A370 A387 H388 K393 A394 V395A370-S391 WeakPolarHBondContact O-CB 3.3Å; A370-S391 PolarHBondContact O-OG 3.29Å; A387-S391 PolarHBondContact O-N 2.94Å; A387-S391 PolarHBondContact O-OG 3.15Å; H388-S391 PolarHBondContact O-N 3.07Å; H388-S391 PolarHBondContact O-OG 3.14Å; S391-K393 VanDerWaalsContact C-N 3.35Å; S391-K393 PolarHBondContact O-N 3.36Å; S391-A394 WeakPolarHBondContact O-CB 3.45Å; S391-A394 PolarHBondContact O-N 3.36Å; S391-A394 VanDerWaalsContact O-N 3.1Å; S391-V395 WeakPolarHBondContact O-CG2 3.41Å; S391-V395 PolarHBondContact O-N 3.31Å
392G96.5Very high97.2Very high37 Ų3774.5 Ų74.538%0.38138%0.38SS..Hα-helixtrans-59.3-42171.600000112.9H388 E389 A390 A394 V395 F396H388-G392 PolarHBondContact O-N 3.33Å; E389-G392 PolarHBondContact O-N 3.29Å; A390-G392 VanDerWaalsContact C-N 3.33Å; G392-A394 VanDerWaalsContact C-N 3.31Å; G392-A394 PolarHBondContact O-N 2.66Å; G392-V395 PolarHBondContact O-N 2.91Å; G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 2.75Å
393K97.8Very high97.2Very high103 Ų10375.4 Ų75.445%0.44839%0.387SS..Hα-helixtrans-63.1-36.4172.8-72.9171.4-174166.40112.2E389 A390 S391 M397 I416E389-K393 WeakPolarHBondContact O-CG 3.14Å; E389-K393 PolarHBondContact O-N 3.33Å; E389-K393 VanDerWaalsContact OE1-CE 3.23Å; E389-K393 WeakPolarHBondContact OE1-CE 3.45Å; E389-K393 IonicContact OE1-NZ 2.69Å; E389-K393 PolarHBondContact OE1-NZ 3.45Å; A390-K393 WeakPolarHBondContact O-CB 3.27Å; A390-K393 PolarHBondContact O-N 3.49Å; S391-K393 VanDerWaalsContact C-N 3.35Å; S391-K393 PolarHBondContact O-N 3.36Å; K393-M397 WeakPolarHBondContact O-CB 3.32Å; K393-M397 PolarHBondContact O-N 2.87Å; K393-I416 HydrophobicContact CB-CD1 4.43Å; K393-I416 HydrophobicContact CB-CG2 3.89Å; K393-I416 HydrophobicContact CD-CG2 4.36Å
394A97.1Very high97Very high0 Ų073.5 Ų73.50%038%0.378CS..Hα-helixtrans-67.4-45.3176.700000111.4L373 A390 S391 G392 F396 M397 A398 L405 L408 L413 I416L373-A394 HydrophobicContact CD2-CB 3.65Å; A390-A394 PolarHBondContact O-N 2.99Å; S391-A394 WeakPolarHBondContact O-CB 3.45Å; S391-A394 PolarHBondContact O-N 3.36Å; S391-A394 VanDerWaalsContact O-N 3.1Å; G392-A394 VanDerWaalsContact C-N 3.31Å; G392-A394 PolarHBondContact O-N 2.66Å; A394-F396 PolarHBondContact O-N 3.38Å; A394-M397 PolarHBondContact O-N 2.86Å; A394-A398 PolarHBondContact O-N 3.22Å; A394-L405 HydrophobicContact CB-CD1 3.98Å; A394-L408 HydrophobicContact CB-CD1 4.15Å; A394-L408 WeakPolarHBondContact O-CD1 3.24Å; A394-L413 HydrophobicContact CB-CD2 4.26Å; A394-I416 VanDerWaalsContact CA-CD1 3.41Å; A394-I416 HydrophobicContact CB-CD1 3.65Å
395V96.2Very high96.9Very high38 Ų3869 Ų6923%0.2336%0.358CS..Hα-helixtrans-57.4-49.8173.5173.90000110.6A370 S391 G392 M397 A398 E399 L405A370-V395 HydrophobicContact CB-CG2 3.54Å; S391-V395 WeakPolarHBondContact O-CG2 3.41Å; S391-V395 PolarHBondContact O-N 3.31Å; G392-V395 PolarHBondContact O-N 2.91Å; V395-M397 VanDerWaalsContact C-N 3.31Å; V395-M397 PolarHBondContact O-N 3.49Å; V395-A398 PolarHBondContact O-N 3Å; V395-E399 HydrophobicContact CG1-CG 4.49Å; V395-E399 WeakPolarHBondContact O-CG 3.44Å; V395-E399 PolarHBondContact O-N 3.46Å; V395-L405 HydrophobicContact CG2-CD1 4.18Å; V395-L405 HydrophobicContact CG2-CD2 4.23Å
396F96.6Very high96.9Very high138 Ų13861.2 Ų61.261%0.60533%0.334SS*.Hα-helixtrans-58.9-40.3178179.6-98.2000112.9G392 A394 T400G392-F396 WeakPolarHBondContact O-CB 3.34Å; G392-F396 PolarHBondContact O-N 2.75Å; A394-F396 PolarHBondContact O-N 3.38Å; F396-T400 WeakPolarHBondContact O-CB 3.36Å; F396-T400 PolarHBondContact O-N 3.01Å; F396-T400 PolarHBondContact O-OG1 3.06Å
397M97.6Very high96.8Very high46 Ų4662 Ų6223%0.22734%0.337CS..Hα-helixtrans-64.9-44.4176.7-177.4-179.7-68.700111.8K393 A394 V395 T400 K401 L408 E412 I416K393-M397 WeakPolarHBondContact O-CB 3.32Å; K393-M397 PolarHBondContact O-N 2.87Å; A394-M397 PolarHBondContact O-N 2.86Å; V395-M397 VanDerWaalsContact C-N 3.31Å; V395-M397 PolarHBondContact O-N 3.49Å; M397-T400 PolarHBondContact O-N 3.26Å; M397-K401 HydrophobicContact CG-CD 4.17Å; M397-K401 WeakPolarHBondContact O-CB 3.33Å; M397-K401 WeakPolarHBondContact O-CG 3.4Å; M397-K401 PolarHBondContact O-N 2.99Å; M397-L408 HydrophobicContact CB-CD1 4.47Å; M397-L408 HydrophobicContact CG-CD2 4Å; M397-L408 HydrophobicContact SD-CD1 4.48Å; M397-L408 HydrophobicContact SD-CD2 4.13Å; M397-E412 HydrophobicContact SD-CB 3.93Å; M397-E412 HydrophobicContact SD-CG 4.49Å; M397-I416 HydrophobicContact CE-CD1 3.96Å; M397-I416 HydrophobicContact CE-CG1 3.83Å; M397-I416 HydrophobicContact SD-CD1 4.27Å
398A96.9Very high96.8Very high3 Ų362.3 Ų62.33%0.02534%0.339CS..Hα-helixtrans-62.3-46.1177.500000111.3A394 V395 K401 G402 V403 L405 L408A394-A398 PolarHBondContact O-N 3.22Å; V395-A398 PolarHBondContact O-N 3Å; A398-K401 CarbonylContact O-C 3.54Å; A398-K401 PolarHBondContact O-N 3.4Å; A398-G402 PolarHBondContact O-N 3.18Å; A398-V403 CarbonylContact C-O 3.59Å; A398-V403 HydrophobicContact CB-CG2 4.32Å; A398-V403 PolarHBondContact O-N 2.87Å; A398-L405 HydrophobicContact CB-CD1 4.35Å; A398-L408 HydrophobicContact CB-CD1 4.19Å; A398-L408 HydrophobicContact CB-CD2 4.24Å; A398-L408 HydrophobicContact CB-CG 4.18Å
399E94.4Very high96.7Very high139 Ų13959.2 Ų59.265%0.6533%0.33SS*.Hα-helixtrans-59-48.2175.2-76.2-179.117400112.2V395 K401 G402V395-E399 HydrophobicContact CG1-CG 4.49Å; V395-E399 WeakPolarHBondContact O-CG 3.44Å; V395-E399 PolarHBondContact O-N 3.46Å; E399-K401 PolarHBondContact O-N 2.84Å; E399-G402 PolarHBondContact O-N 3.3Å
400T96.6Very high96.7Very high99 Ų9957.1 Ų57.161%0.60732%0.322SS*.Hα-helixtrans-61.5-33.8179.8-58.80000111.9F396 M397 G402F396-T400 WeakPolarHBondContact O-CB 3.36Å; F396-T400 PolarHBondContact O-N 3.01Å; F396-T400 PolarHBondContact O-OG1 3.06Å; M397-T400 PolarHBondContact O-N 3.26Å; T400-G402 VanDerWaalsContact C-N 3.35Å
401K96.7Very high96.7Very high111 Ų11164 Ų6448%0.48335%0.353SS..Hα-helixtrans-82.1-11.3176.2-73.4175.968.991.50113.5M397 A398 E399 V403 L408 E412M397-K401 HydrophobicContact CG-CD 4.17Å; M397-K401 WeakPolarHBondContact O-CB 3.33Å; M397-K401 WeakPolarHBondContact O-CG 3.4Å; M397-K401 PolarHBondContact O-N 2.99Å; A398-K401 CarbonylContact O-C 3.54Å; A398-K401 PolarHBondContact O-N 3.4Å; E399-K401 PolarHBondContact O-N 2.84Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 HydrophobicContact CB-CG1 4.31Å; K401-V403 HydrophobicContact CB-CG2 3.86Å; K401-L408 HydrophobicContact CD-CD2 4.1Å; K401-E412 WeakPolarHBondContact CE-OE1 3.37Å; K401-E412 IonicContact NZ-OE1 2.6Å; K401-E412 PolarHBondContact NZ-OE1 3.33Å
402G95.5Very high96.7Very high71 Ų7165.7 Ų65.773%0.73236%0.36SS*.THydrogen-bonded Turntrans65.633.2-173.700000113.4A398 E399 T400A398-G402 PolarHBondContact O-N 3.18Å; E399-G402 PolarHBondContact O-N 3.3Å; T400-G402 VanDerWaalsContact C-N 3.35Å
403V96.9Very high96.8Very high47 Ų4764 Ų6429%0.28534%0.342SS..  trans-120.7160.7179.5-58.90000110.8A398 K401 Q407 L408A398-V403 CarbonylContact C-O 3.59Å; A398-V403 HydrophobicContact CB-CG2 4.32Å; A398-V403 PolarHBondContact O-N 2.87Å; K401-V403 VanDerWaalsContact C-N 3.32Å; K401-V403 HydrophobicContact CB-CG1 4.31Å; K401-V403 HydrophobicContact CB-CG2 3.86Å; V403-Q407 HydrophobicContact CB-CB 4.09Å; V403-Q407 HydrophobicContact CG2-CB 4.35Å; V403-L408 HydrophobicContact CG2-CD2 4.23Å
404A95.9Very high96.8Very high36 Ų3663.3 Ų63.330%0.29834%0.341SS..  trans-71.3154.2173.700000111.4P366 N406 Q407P366-A404 HydrophobicContact CB-CB 4.37Å; P366-A404 HydrophobicContact CG-CB 4.19Å; A404-N406 VanDerWaalsContact CB-OD1 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.49Å; A404-N406 PolarHBondContact O-N 3.39Å; A404-N406 VanDerWaalsContact O-N 3.17Å; A404-Q407 HydrophobicContact CB-CG 4.15Å; A404-Q407 WeakPolarHBondContact O-CB 3.24Å; A404-Q407 PolarHBondContact O-N 2.95Å
405L96.3Very high96.8Very high8 Ų868.5 Ų68.54%0.04237%0.372CS..G310 helixtrans-56-37-177.4-176.563.2000113P366 A370 A394 V395 A398 Q407 L408 W428P366-L405 HydrophobicContact CB-CB 4.39Å; A370-L405 HydrophobicContact CB-CD2 3.82Å; A394-L405 HydrophobicContact CB-CD1 3.98Å; V395-L405 HydrophobicContact CG2-CD1 4.18Å; V395-L405 HydrophobicContact CG2-CD2 4.23Å; A398-L405 HydrophobicContact CB-CD1 4.35Å; L405-Q407 PolarHBondContact O-N 3.44Å; L405-L408 HydrophobicContact CD1-CD1 4.17Å; L405-L408 PolarHBondContact O-N 2.91Å; L405-W428 HydrophobicContact CD2-CZ3 4.24Å; L405-W428 HydrophobicContact CG-CH2 4.02Å; L405-W428 HydrophobicContact CG-CZ3 4.08Å
406N96.4Very high96.9Very high60 Ų6068.3 Ų68.332%0.32137%0.37SS..G310 helixtrans-76.7-1.9178.167.6-25.6000114.5P366 A404 W428P366-N406 HydrophobicContact CB-CB 4.17Å; P366-N406 WeakPolarHBondContact CG-OD1 3.36Å; A404-N406 VanDerWaalsContact CB-OD1 3.27Å; A404-N406 WeakPolarHBondContact CB-OD1 3.49Å; A404-N406 PolarHBondContact O-N 3.39Å; A404-N406 VanDerWaalsContact O-N 3.17Å; N406-W428 HydrophobicContact CB-CB 4Å; N406-W428 HydrophobicContact CB-CD2 3.56Å; N406-W428 HydrophobicContact CB-CE3 3.84Å; N406-W428 HydrophobicContact CB-CG 3.62Å
407Q97.2Very high97Very high126 Ų12662 Ų6259%0.58934%0.343SS*.G310 helixtrans-96.6-3.2176.4-65.5178.3-33.400113V403 A404 L405 S409V403-Q407 HydrophobicContact CB-CB 4.09Å; V403-Q407 HydrophobicContact CG2-CB 4.35Å; A404-Q407 HydrophobicContact CB-CG 4.15Å; A404-Q407 WeakPolarHBondContact O-CB 3.24Å; A404-Q407 PolarHBondContact O-N 2.95Å; L405-Q407 PolarHBondContact O-N 3.44Å; Q407-S409 PolarHBondContact O-N 3.11Å
408L97Very high97Very high8 Ų865.4 Ų65.44%0.04237%0.368CS..SBendtrans-66.3127.9169.4-64.5-178.6000109.9A394 M397 A398 K401 V403 L405 L413A394-L408 HydrophobicContact CB-CD1 4.15Å; A394-L408 WeakPolarHBondContact O-CD1 3.24Å; M397-L408 HydrophobicContact CB-CD1 4.47Å; M397-L408 HydrophobicContact CG-CD2 4Å; M397-L408 HydrophobicContact SD-CD1 4.48Å; M397-L408 HydrophobicContact SD-CD2 4.13Å; A398-L408 HydrophobicContact CB-CD1 4.19Å; A398-L408 HydrophobicContact CB-CD2 4.24Å; A398-L408 HydrophobicContact CB-CG 4.18Å; K401-L408 HydrophobicContact CD-CD2 4.1Å; V403-L408 HydrophobicContact CG2-CD2 4.23Å; L405-L408 HydrophobicContact CD1-CD1 4.17Å; L405-L408 PolarHBondContact O-N 2.91Å; L408-L413 HydrophobicContact CB-CD2 4.14Å; L408-L413 HydrophobicContact CB-CG 4.19Å; L408-L413 HydrophobicContact CD1-CD2 3.99Å
409S96.9Very high97Very high49 Ų4968.4 Ų68.434%0.34338%0.383SS..  trans-67.3157175.465.80000111.3Q407 Q411 E412 L413Q407-S409 PolarHBondContact O-N 3.11Å; S409-Q411 PolarHBondContact O-N 2.84Å; S409-E412 WeakPolarHBondContact CB-OE2 3.27Å; S409-E412 PolarHBondContact N-OE2 2.96Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 2.66Å; S409-E412 VanDerWaalsContact O-N 3.08Å; S409-E412 WeakPolarHBondContact OG-CB 3.41Å; S409-E412 VanDerWaalsContact OG-CD 3.26Å; S409-E412 WeakPolarHBondContact OG-CG 3.27Å; S409-E412 PolarHBondContact OG-N 3.4Å; S409-E412 PolarHBondContact OG-OE2 3.08Å; S409-L413 PolarHBondContact O-N 3.15Å
410L97.4Very high97.2Very high66 Ų6661.8 Ų61.835%0.34635%0.353SS..Hα-helixtrans-56.4-38174.6178.161.8000111.8E412 L413 Q414 F420 S421 V424L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.03Å; L410-L413 PolarHBondContact O-N 2.83Å; L410-Q414 HydrophobicContact CD1-CG 4.29Å; L410-Q414 HydrophobicContact CG-CG 4.43Å; L410-Q414 WeakPolarHBondContact O-CB 3.2Å; L410-Q414 VanDerWaalsContact O-CG 3.24Å; L410-Q414 WeakPolarHBondContact O-CG 3.35Å; L410-Q414 PolarHBondContact O-N 2.71Å; L410-F420 HydrophobicContact CD1-CB 4.32Å; L410-S421 WeakPolarHBondContact CD1-O 3.35Å; L410-V424 HydrophobicContact CD1-CG1 4.01Å
411Q97.5Very high97.2Very high152 Ų15259.1 Ų59.171%0.7134%0.338SS*.Hα-helixtrans-62.7-42.2177.9-67.4174.4-2.800111.3S409 Q414 T415S409-Q411 PolarHBondContact O-N 2.84Å; Q411-Q414 WeakPolarHBondContact O-CB 3.29Å; Q411-Q414 PolarHBondContact O-N 3.33Å; Q411-T415 WeakPolarHBondContact O-CG2 3.46Å; Q411-T415 PolarHBondContact O-N 2.92Å; Q411-T415 VanDerWaalsContact O-N 3.13Å
412E97.7Very high97.2Very high42 Ų4255.8 Ų55.820%0.19634%0.335CS..Hα-helixtrans-65.2-45.3176-73.4165.6132.900111.8M397 K401 S409 L410 Q414 T415M397-E412 HydrophobicContact SD-CB 3.93Å; M397-E412 HydrophobicContact SD-CG 4.49Å; K401-E412 WeakPolarHBondContact CE-OE1 3.37Å; K401-E412 IonicContact NZ-OE1 2.6Å; K401-E412 PolarHBondContact NZ-OE1 3.33Å; S409-E412 WeakPolarHBondContact CB-OE2 3.27Å; S409-E412 PolarHBondContact N-OE2 2.96Å; S409-E412 WeakPolarHBondContact O-CB 3.43Å; S409-E412 PolarHBondContact O-N 2.66Å; S409-E412 VanDerWaalsContact O-N 3.08Å; S409-E412 WeakPolarHBondContact OG-CB 3.41Å; S409-E412 VanDerWaalsContact OG-CD 3.26Å; S409-E412 WeakPolarHBondContact OG-CG 3.27Å; S409-E412 PolarHBondContact OG-N 3.4Å; S409-E412 PolarHBondContact OG-OE2 3.08Å; L410-E412 VanDerWaalsContact C-N 3.34Å; L410-E412 PolarHBondContact O-N 3.03Å; E412-Q414 VanDerWaalsContact C-N 3.25Å; E412-Q414 PolarHBondContact O-N 2.94Å; E412-T415 WeakPolarHBondContact O-CB 3.5Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 3.44Å
413L97.9Very high97.2Very high1 Ų155.7 Ų55.71%0.00532%0.318CS..Hα-helixtrans-58.9-40173.8-66.9172.2000111.2L373 A394 L408 S409 L410 T415 I416 S417 F420 V424 W428L373-L413 HydrophobicContact CD2-CD2 4.31Å; A394-L413 HydrophobicContact CB-CD2 4.26Å; L408-L413 HydrophobicContact CB-CD2 4.14Å; L408-L413 HydrophobicContact CB-CG 4.19Å; L408-L413 HydrophobicContact CD1-CD2 3.99Å; S409-L413 PolarHBondContact O-N 3.15Å; L410-L413 PolarHBondContact O-N 2.83Å; L413-T415 PolarHBondContact O-N 3.5Å; L413-I416 WeakPolarHBondContact O-CA 3.34Å; L413-I416 VanDerWaalsContact O-CB 3.31Å; L413-I416 WeakPolarHBondContact O-CB 3.5Å; L413-I416 PolarHBondContact O-N 3.27Å; L413-S417 PolarHBondContact O-N 3.07Å; L413-F420 HydrophobicContact CB-CB 4.01Å; L413-F420 HydrophobicContact CB-CD1 4.41Å; L413-F420 HydrophobicContact CB-CD2 3.81Å; L413-F420 HydrophobicContact CB-CE2 4.31Å; L413-F420 HydrophobicContact CB-CG 3.83Å; L413-F420 WeakPolarHBondContact O-CD2 3.45Å; L413-V424 HydrophobicContact CD1-CG1 3.84Å; L413-V424 HydrophobicContact CD1-CG2 4.16Å; L413-W428 HydrophobicContact CD1-CZ2 4.15Å
414Q98Very high97.2Very high90 Ų9053.6 Ų53.642%0.42131%0.305SS..Hα-helixtrans-64.7-24.1176.1-76175.5-22.700113.8L410 Q411 E412 I416 S417 F420L410-Q414 HydrophobicContact CD1-CG 4.29Å; L410-Q414 HydrophobicContact CG-CG 4.43Å; L410-Q414 WeakPolarHBondContact O-CB 3.2Å; L410-Q414 VanDerWaalsContact O-CG 3.24Å; L410-Q414 WeakPolarHBondContact O-CG 3.35Å; L410-Q414 PolarHBondContact O-N 2.71Å; Q411-Q414 WeakPolarHBondContact O-CB 3.29Å; Q411-Q414 PolarHBondContact O-N 3.33Å; E412-Q414 VanDerWaalsContact C-N 3.25Å; E412-Q414 PolarHBondContact O-N 2.94Å; Q414-I416 PolarHBondContact O-N 3.35Å; Q414-S417 WeakPolarHBondContact CA-O 3.49Å; Q414-S417 CarbonylContact O-C 3.55Å; Q414-F420 HydrophobicContact CG-CB 4.26Å; Q414-F420 WeakPolarHBondContact CG-O 3.11Å; Q414-F420 PolarHBondContact NE2-O 3.11Å
415T98Very high97.2Very high108 Ų10857.5 Ų57.566%0.66332%0.32SS*.Hα-helixtrans-68.6-21.7169.873.70000112.9Q411 E412 L413Q411-T415 WeakPolarHBondContact O-CG2 3.46Å; Q411-T415 PolarHBondContact O-N 2.92Å; Q411-T415 VanDerWaalsContact O-N 3.13Å; E412-T415 WeakPolarHBondContact O-CB 3.5Å; E412-T415 PolarHBondContact O-N 3.03Å; E412-T415 PolarHBondContact O-OG1 3.44Å; L413-T415 PolarHBondContact O-N 3.5Å
416I97.8Very high97.1Very high34 Ų3460 Ų6017%0.17434%0.337CS..Hα-helixtrans-87.8-44.3177-58172.2000110.6A390 K393 A394 M397 L413 Q414 F420A390-I416 HydrophobicContact CB-CG2 3.99Å; A390-I416 WeakPolarHBondContact O-CG2 3.4Å; K393-I416 HydrophobicContact CB-CD1 4.43Å; K393-I416 HydrophobicContact CB-CG2 3.89Å; K393-I416 HydrophobicContact CD-CG2 4.36Å; A394-I416 VanDerWaalsContact CA-CD1 3.41Å; A394-I416 HydrophobicContact CB-CD1 3.65Å; M397-I416 HydrophobicContact CE-CD1 3.96Å; M397-I416 HydrophobicContact CE-CG1 3.83Å; M397-I416 HydrophobicContact SD-CD1 4.27Å; L413-I416 WeakPolarHBondContact O-CA 3.34Å; L413-I416 VanDerWaalsContact O-CB 3.31Å; L413-I416 WeakPolarHBondContact O-CB 3.5Å; L413-I416 PolarHBondContact O-N 3.27Å; Q414-I416 PolarHBondContact O-N 3.35Å; I416-F420 HydrophobicContact CB-CE2 4.45Å
417S97.8Very high97.2Very high6 Ų657.2 Ų57.24%0.04232%0.323CS..  trans-153.3133.3177.9175.30000111.9M382 L413 Q414 L419 F420M382-S417 WeakPolarHBondContact CE-OG 3.31Å; L413-S417 PolarHBondContact O-N 3.07Å; Q414-S417 WeakPolarHBondContact CA-O 3.49Å; Q414-S417 CarbonylContact O-C 3.55Å; S417-L419 PolarHBondContact O-N 3.1Å; S417-L419 VanDerWaalsContact O-N 3.14Å; S417-L419 PolarHBondContact OG-N 3.04Å; S417-F420 WeakPolarHBondContact O-CD2 3.31Å; S417-F420 PolarHBondContact O-N 3.02Å
418P97.4Very high97.2Very high117 Ų11753.3 Ų53.376%0.7630%0.302SS*.THydrogen-bonded Turntrans-68.2-11.517730.1-36.1000113.3F420P418-F420 PolarHBondContact O-N 2.92Å
419L97.9Very high97.2Very high66 Ų6657.2 Ų57.235%0.34632%0.323SS..THydrogen-bonded Turntrans-75.4-11.4177.3-66.3-179.1000113.3L377 K380 M382 S417 S421L377-L419 HydrophobicContact CD2-CB 3.86Å; K380-L419 HydrophobicContact CB-CB 4.25Å; K380-L419 HydrophobicContact CB-CD1 4.09Å; K380-L419 HydrophobicContact CB-CD2 4.47Å; M382-L419 HydrophobicContact CB-CD1 4.07Å; M382-L419 HydrophobicContact CE-CD1 3.89Å; S417-L419 PolarHBondContact O-N 3.1Å; S417-L419 VanDerWaalsContact O-N 3.14Å; S417-L419 PolarHBondContact OG-N 3.04Å; L419-S421 PolarHBondContact O-N 2.99Å
420F98Very high97.3Very high1 Ų157.3 Ų57.30%0.00432%0.316CS..  trans-71116.5172.1-72.6-63.7000111L373 Y376 L377 L410 L413 Q414 I416 S417 P418 V424L373-F420 HydrophobicContact CD1-CD1 4.4Å; L373-F420 HydrophobicContact CD1-CE1 3.47Å; L373-F420 VanDerWaalsContact CD1-CE1 3.47Å; L373-F420 HydrophobicContact CD1-CZ 4.02Å; L373-F420 HydrophobicContact CD2-CE1 4.32Å; L373-F420 HydrophobicContact CD2-CZ 4.01Å; L373-F420 HydrophobicContact CG-CE1 3.72Å; L373-F420 HydrophobicContact CG-CZ 3.79Å; Y376-F420 AromaticContact CD1-CD1 3.87Å; Y376-F420 HydrophobicContact CD1-CD1 3.87Å; Y376-F420 AromaticContact CD1-CE1 3.9Å; Y376-F420 HydrophobicContact CD1-CE1 3.9Å; Y376-F420 AromaticContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CD1 3.65Å; Y376-F420 HydrophobicContact CE1-CE1 4.17Å; L377-F420 HydrophobicContact CD1-CE1 4.27Å; L377-F420 HydrophobicContact CD1-CE2 4.05Å; L377-F420 HydrophobicContact CD1-CZ 3.65Å; L377-F420 HydrophobicContact CD2-CD1 4.07Å; L377-F420 HydrophobicContact CD2-CD2 4.26Å; L377-F420 HydrophobicContact CD2-CE1 3.82Å; L377-F420 HydrophobicContact CD2-CE2 4.07Å; L377-F420 HydrophobicContact CD2-CG 4.3Å; L377-F420 HydrophobicContact CD2-CZ 3.85Å; L377-F420 HydrophobicContact CG-CE1 3.96Å; L377-F420 HydrophobicContact CG-CE2 4.44Å; L377-F420 HydrophobicContact CG-CZ 3.86Å; L410-F420 HydrophobicContact CD1-CB 4.32Å; L413-F420 HydrophobicContact CB-CB 4.01Å; L413-F420 HydrophobicContact CB-CD1 4.41Å; L413-F420 HydrophobicContact CB-CD2 3.81Å; L413-F420 HydrophobicContact CB-CE2 4.31Å; L413-F420 HydrophobicContact CB-CG 3.83Å; L413-F420 WeakPolarHBondContact O-CD2 3.45Å; Q414-F420 HydrophobicContact CG-CB 4.26Å; Q414-F420 WeakPolarHBondContact CG-O 3.11Å; Q414-F420 PolarHBondContact NE2-O 3.11Å; I416-F420 HydrophobicContact CB-CE2 4.45Å; S417-F420 WeakPolarHBondContact O-CD2 3.31Å; S417-F420 PolarHBondContact O-N 3.02Å; P418-F420 PolarHBondContact O-N 2.92Å; F420-V424 HydrophobicContact CD1-CB 4.27Å; F420-V424 HydrophobicContact CD1-CG2 3.67Å; F420-V424 HydrophobicContact CE1-CG2 3.95Å
421S96.9Very high97.3Very high43 Ų4355.1 Ų55.130%0.30131%0.31SS..  trans-117.2174172.951.40000111.6Y376 K380 L410 L419 D423 V424Y376-S421 PolarHBondContact OH-N 3.35Å; Y376-S421 PolarHBondContact OH-OG 3.16Å; K380-S421 PolarHBondContact NZ-OG 3Å; K380-S421 VanDerWaalsContact NZ-OG 3.14Å; L410-S421 WeakPolarHBondContact CD1-O 3.35Å; L419-S421 PolarHBondContact O-N 2.99Å; S421-D423 WeakPolarHBondContact CB-OD1 3.32Å; S421-D423 PolarHBondContact O-N 3.35Å; S421-D423 VanDerWaalsContact O-N 3.07Å; S421-D423 PolarHBondContact OG-OD1 3.08Å; S421-V424 WeakPolarHBondContact O-CB 3.38Å; S421-V424 VanDerWaalsContact O-CG1 3.24Å; S421-V424 WeakPolarHBondContact O-CG1 3.43Å; S421-V424 PolarHBondContact O-N 3.04Å
422G95.8Very high97.3Very high41 Ų4151.2 Ų51.242%0.42329%0.291SS..G310 helixtrans-60.1-20.2-173.400000115.3V424 I425G422-V424 PolarHBondContact O-N 3.38Å; G422-I425 WeakPolarHBondContact O-CG1 3.05Å
423D96.7Very high97.3Very high68 Ų6849.2 Ų49.236%0.36428%0.282SS..G310 helixtrans-68.8-9.6172.161.8-26.1000113.8Y376 K380 S421 I425 C426Y376-D423 PolarHBondContact OH-OD1 3.48Å; K380-D423 IonicContact NZ-OD1 2.68Å; K380-D423 IonicContact NZ-OD2 3.4Å; K380-D423 PolarHBondContact NZ-OD2 2.86Å; S421-D423 WeakPolarHBondContact CB-OD1 3.32Å; S421-D423 PolarHBondContact O-N 3.35Å; S421-D423 VanDerWaalsContact O-N 3.07Å; S421-D423 PolarHBondContact OG-OD1 3.08Å; D423-I425 PolarHBondContact O-N 3.03Å; D423-I425 VanDerWaalsContact O-N 3.15Å; D423-C426 WeakPolarHBondContact O-CB 3Å; D423-C426 PolarHBondContact O-N 3.18Å; D423-C426 VanDerWaalsContact O-N 3.11Å
424V96.2Very high97.4Very high3 Ų349.1 Ų49.12%0.01828%0.282CS..G310 helixtrans-59.7-23173.574.50000112.3L373 Y376 L410 L413 F420 S421 G422 C426 V427L373-V424 HydrophobicContact CD1-CG2 3.53Å; Y376-V424 HydrophobicContact CD1-CG2 4.43Å; Y376-V424 HydrophobicContact CE1-CB 4.44Å; Y376-V424 HydrophobicContact CE1-CG2 4.42Å; Y376-V424 HydrophobicContact CE2-CB 4.23Å; L410-V424 HydrophobicContact CD1-CG1 4.01Å; L413-V424 HydrophobicContact CD1-CG1 3.84Å; L413-V424 HydrophobicContact CD1-CG2 4.16Å; F420-V424 HydrophobicContact CD1-CB 4.27Å; F420-V424 HydrophobicContact CD1-CG2 3.67Å; F420-V424 HydrophobicContact CE1-CG2 3.95Å; S421-V424 WeakPolarHBondContact O-CB 3.38Å; S421-V424 VanDerWaalsContact O-CG1 3.24Å; S421-V424 WeakPolarHBondContact O-CG1 3.43Å; S421-V424 PolarHBondContact O-N 3.04Å; G422-V424 PolarHBondContact O-N 3.38Å; V424-C426 PolarHBondContact O-N 3.47Å; V424-C426 VanDerWaalsContact O-N 3.12Å; V424-V427 HydrophobicContact CG2-CG2 4.27Å; V424-V427 VanDerWaalsContact O-CB 3.23Å; V424-V427 WeakPolarHBondContact O-CB 3.48Å; V424-V427 WeakPolarHBondContact O-CG2 3.5Å; V424-V427 PolarHBondContact O-N 3.41Å
425I95.7Very high97.4Very high118 Ų11848.7 Ų48.761%0.60528%0.28SS*.G310 helixtrans-58.6-25.7175.967.4-179000112.9G422 D423 V427 W428G422-I425 WeakPolarHBondContact O-CG1 3.05Å; D423-I425 PolarHBondContact O-N 3.03Å; D423-I425 VanDerWaalsContact O-N 3.15Å; I425-V427 PolarHBondContact O-N 3.44Å; I425-W428 WeakPolarHBondContact O-CB 3.34Å; I425-W428 PolarHBondContact O-N 3.22Å
426C95.6Very high97.4Very high61 Ų6145.3 Ų45.341%0.41226%0.256SS..G310 helixtrans-64.6-26.4175.5-63.40000112.1D423 V424 W428 D429 H432D423-C426 WeakPolarHBondContact O-CB 3Å; D423-C426 PolarHBondContact O-N 3.18Å; D423-C426 VanDerWaalsContact O-N 3.11Å; V424-C426 PolarHBondContact O-N 3.47Å; V424-C426 VanDerWaalsContact O-N 3.12Å; C426-W428 PolarHBondContact O-N 3.06Å; C426-D429 PolarHBondContact O-N 3.21Å; C426-H432 VanDerWaalsContact O-CB 3.27Å; C426-H432 WeakPolarHBondContact O-CB 3.43Å; C426-H432 VanDerWaalsContact O-CG 3.23Å; C426-H432 PolarHBondContact O-ND1 2.97Å; C426-H432 VanDerWaalsContact O-ND1 3.14Å
427V97.3Very high97.5Very high2 Ų246.1 Ų46.11%0.01226%0.258CS..G310 helixtrans-62.7-28.8176.6176.30000111.3L369 D372 L373 Y376 V424 I425 D429L369-V427 HydrophobicContact CB-CG1 4.34Å; L369-V427 WeakPolarHBondContact CD1-O 3.32Å; D372-V427 HydrophobicContact CB-CG1 3.76Å; L373-V427 HydrophobicContact CB-CG1 4.39Å; L373-V427 HydrophobicContact CD1-CG1 4.25Å; Y376-V427 HydrophobicContact CD2-CG2 4.15Å; Y376-V427 HydrophobicContact CG-CG2 4.28Å; V424-V427 HydrophobicContact CG2-CG2 4.27Å; V424-V427 VanDerWaalsContact O-CB 3.23Å; V424-V427 WeakPolarHBondContact O-CB 3.48Å; V424-V427 WeakPolarHBondContact O-CG2 3.5Å; V424-V427 PolarHBondContact O-N 3.41Å; I425-V427 PolarHBondContact O-N 3.44Å; V427-D429 PolarHBondContact O-N 2.68Å
428W97Very high97.5Very high43 Ų4347.7 Ų47.716%0.16328%0.275CS..G310 helixtrans-76.8-6.2-176.9-50.8148000114.8L369 L373 L405 N406 L413 I425 C426L369-W428 HydrophobicContact CB-CE3 4.34Å; L369-W428 HydrophobicContact CB-CZ3 4.32Å; L369-W428 HydrophobicContact CD1-CE3 4.18Å; L373-W428 HydrophobicContact CD1-CH2 3.68Å; L373-W428 HydrophobicContact CD1-CZ2 4.27Å; L373-W428 HydrophobicContact CD1-CZ3 4.28Å; L373-W428 HydrophobicContact CD2-CH2 4.22Å; L373-W428 HydrophobicContact CG-CH2 4.47Å; L405-W428 HydrophobicContact CD2-CZ3 4.24Å; L405-W428 HydrophobicContact CG-CH2 4.02Å; L405-W428 HydrophobicContact CG-CZ3 4.08Å; N406-W428 HydrophobicContact CB-CB 4Å; N406-W428 HydrophobicContact CB-CD2 3.56Å; N406-W428 HydrophobicContact CB-CE3 3.84Å; N406-W428 HydrophobicContact CB-CG 3.62Å; L413-W428 HydrophobicContact CD1-CZ2 4.15Å; I425-W428 WeakPolarHBondContact O-CB 3.34Å; I425-W428 PolarHBondContact O-N 3.22Å; C426-W428 PolarHBondContact O-N 3.06Å
429D97.5Very high97.6Very high90 Ų9045.9 Ų45.948%0.48127%0.27SS..  trans-92.7120173.4174.527.7000110.9C426 V427 G431 H432 S433C426-D429 PolarHBondContact O-N 3.21Å; V427-D429 PolarHBondContact O-N 2.68Å; D429-G431 PolarHBondContact O-N 3.32Å; D429-G431 PolarHBondContact OD1-N 3.47Å; D429-H432 HydrophobicContact CB-CB 4Å; D429-H432 WeakPolarHBondContact O-CB 3.49Å; D429-H432 PolarHBondContact O-N 3.16Å; D429-H432 PolarHBondContact OD2-N 2.94Å; D429-S433 PolarHBondContact O-N 3.47Å
430Y98.4Very high97.6Very high51 Ų5148.6 Ų48.620%0.228%0.284CS..Hα-helixtrans-62.3-28.5174.3-55.6-55.4000112.4P166 L364 S365 P366 L369 S433 V434P166-Y430 HydrophobicContact CG-CD1 3.71Å; P166-Y430 HydrophobicContact CG-CE1 4.49Å; P166-Y430 HydrophobicContact CG-CG 4.37Å; L364-Y430 VanDerWaalsContact C-OH 3.29Å; L364-Y430 HydrophobicContact CB-CD1 4.18Å; L364-Y430 HydrophobicContact CB-CD2 3.87Å; L364-Y430 HydrophobicContact CB-CE1 3.92Å; L364-Y430 HydrophobicContact CB-CE2 3.56Å; L364-Y430 HydrophobicContact CB-CG 4.17Å; L364-Y430 HydrophobicContact CD1-CD1 4.33Å; L364-Y430 HydrophobicContact CD1-CD2 3.65Å; L364-Y430 HydrophobicContact CD1-CE2 4.22Å; L364-Y430 HydrophobicContact CD1-CG 3.71Å; L364-Y430 HydrophobicContact CG-CD2 4.42Å; L364-Y430 PolarHBondContact O-OH 3.25Å; L364-Y430 VanDerWaalsContact O-OH 3.04Å; S365-Y430 WeakPolarHBondContact CA-OH 3.3Å; S365-Y430 PolarHBondContact N-OH 3.31Å; P366-Y430 WeakPolarHBondContact CD-OH 3.4Å; L369-Y430 HydrophobicContact CD1-CD1 3.93Å; L369-Y430 HydrophobicContact CD1-CE1 3.64Å; L369-Y430 HydrophobicContact CD2-CD1 3.99Å; L369-Y430 HydrophobicContact CD2-CE1 4.32Å; L369-Y430 HydrophobicContact CG-CD1 4.14Å; L369-Y430 HydrophobicContact CG-CE1 3.96Å; Y430-S433 WeakPolarHBondContact O-CB 3.35Å; Y430-S433 PolarHBondContact O-N 3.09Å; Y430-V434 PolarHBondContact O-N 3.22Å
431G97.8Very high97.6Very high20 Ų2050.4 Ų50.421%0.20630%0.302CS..Hα-helixtrans-62.2-50.6171.800000111.6D429 S433 V434 E435D429-G431 PolarHBondContact O-N 3.32Å; D429-G431 PolarHBondContact OD1-N 3.47Å; G431-S433 VanDerWaalsContact C-N 3.27Å; G431-S433 PolarHBondContact O-N 3.46Å; G431-V434 WeakPolarHBondContact O-CG2 3.35Å; G431-V434 PolarHBondContact O-N 2.91Å; G431-E435 WeakPolarHBondContact O-CG 3.45Å; G431-E435 PolarHBondContact O-N 3.13Å
432H98.1Very high97.7Very high70 Ų7049.1 Ų49.132%0.32430%0.297SS..Hα-helixtrans-58-38.2172.1175.3-91.4000112.6C426 D429 E435 Q436C426-H432 VanDerWaalsContact O-CB 3.27Å; C426-H432 WeakPolarHBondContact O-CB 3.43Å; C426-H432 VanDerWaalsContact O-CG 3.23Å; C426-H432 PolarHBondContact O-ND1 2.97Å; C426-H432 VanDerWaalsContact O-ND1 3.14Å; D429-H432 HydrophobicContact CB-CB 4Å; D429-H432 WeakPolarHBondContact O-CB 3.49Å; D429-H432 PolarHBondContact O-N 3.16Å; D429-H432 PolarHBondContact OD2-N 2.94Å; H432-E435 PolarHBondContact O-N 3.43Å; H432-Q436 PolarHBondContact CE1-NE2 3.38Å; H432-Q436 PolarHBondContact O-N 3.17Å
433S98.6Very high97.8Very high0 Ų047.4 Ų47.40%028%0.278CS..Hα-helixtrans-57.3-53.5177.8-174.90000112.4D372 D429 Y430 G431 E435 Q436 Y437D372-S433 PolarHBondContact OD1-OG 2.87Å; D372-S433 WeakPolarHBondContact OD2-CA 3.43Å; D372-S433 WeakPolarHBondContact OD2-CB 3.48Å; D372-S433 PolarHBondContact OD2-OG 3.36Å; D429-S433 PolarHBondContact O-N 3.47Å; Y430-S433 WeakPolarHBondContact O-CB 3.35Å; Y430-S433 PolarHBondContact O-N 3.09Å; G431-S433 VanDerWaalsContact C-N 3.27Å; G431-S433 PolarHBondContact O-N 3.46Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 PolarHBondContact O-N 3.16Å; S433-Q436 WeakPolarHBondContact O-CB 3.35Å; S433-Q436 PolarHBondContact O-N 3.25Å; S433-Y437 WeakPolarHBondContact O-CD2 3.39Å; S433-Y437 WeakPolarHBondContact O-CE2 3.47Å
434V98.7Very high97.9Very high0 Ų044.1 Ų44.10%026%0.26CS..Hα-helixtrans-66.3-27.7-178.5-62.60000113.1L154 P166 Y430 G431 Q436 Y437 T443 A444L154-V434 HydrophobicContact CD1-CG2 4.4Å; L154-V434 HydrophobicContact CD2-CG1 4.09Å; L154-V434 HydrophobicContact CD2-CG2 3.91Å; P166-V434 HydrophobicContact CB-CG1 4.02Å; P166-V434 WeakPolarHBondContact O-CG1 3.31Å; Y430-V434 PolarHBondContact O-N 3.22Å; G431-V434 WeakPolarHBondContact O-CG2 3.35Å; G431-V434 PolarHBondContact O-N 2.91Å; V434-Q436 VanDerWaalsContact C-N 3.27Å; V434-Q436 PolarHBondContact O-N 2.82Å; V434-Y437 PolarHBondContact O-N 3.22Å; V434-T443 HydrophobicContact CB-CG2 3.96Å; V434-T443 HydrophobicContact CG1-CG2 4.16Å; V434-A444 VanDerWaalsContact O-CA 3.22Å; V434-A444 WeakPolarHBondContact O-CA 3.41Å; V434-A444 PolarHBondContact O-N 3.46Å
435E98.7Very high98.1Very high80 Ų8048.7 Ų48.737%0.37428%0.277SS..Hα-helixtrans-73.1-15.1178.7-70.6-52.4118.200113.9R168 G431 H432 S433 Y437 R445R168-E435 IonicContact CZ-OE1 3.73Å; R168-E435 IonicContact NE-OE1 2.64Å; R168-E435 IonicContact NH2-OE1 2.77Å; R168-E435 PolarHBondContact NH2-OE1 3.04Å; G431-E435 WeakPolarHBondContact O-CG 3.45Å; G431-E435 PolarHBondContact O-N 3.13Å; H432-E435 PolarHBondContact O-N 3.43Å; S433-E435 VanDerWaalsContact C-N 3.26Å; S433-E435 PolarHBondContact O-N 3.16Å; E435-Y437 PolarHBondContact O-N 2.68Å; E435-R445 WeakPolarHBondContact OE1-CB 3.4Å; E435-R445 PolarHBondContact OE1-N 3.29Å
436Q98.5Very high98.2Very high38 Ų3846.4 Ų46.418%0.17827%0.271CS..THydrogen-bonded Turntrans-64-25.6174-65.4178.639.700112.6D372 H432 S433 V434 G438D372-Q436 PolarHBondContact OD2-NE2 3.23Å; H432-Q436 PolarHBondContact CE1-NE2 3.38Å; H432-Q436 PolarHBondContact O-N 3.17Å; S433-Q436 WeakPolarHBondContact O-CB 3.35Å; S433-Q436 PolarHBondContact O-N 3.25Å; V434-Q436 VanDerWaalsContact C-N 3.27Å; V434-Q436 PolarHBondContact O-N 2.82Å; Q436-G438 PolarHBondContact O-N 2.86Å
437Y98.6Very high98.3Very high50 Ų5043.5 Ų43.520%0.19625%0.252CS..  trans-87.549.9-174.9-56.3-83.9000112.1Q165 S433 V434 E435 A439 G442 T443 A444Q165-Y437 PolarHBondContact OE1-OH 2.77Å; S433-Y437 WeakPolarHBondContact O-CD2 3.39Å; S433-Y437 WeakPolarHBondContact O-CE2 3.47Å; V434-Y437 PolarHBondContact O-N 3.22Å; E435-Y437 PolarHBondContact O-N 2.68Å; Y437-A439 VanDerWaalsContact C-N 3.32Å; Y437-A439 PolarHBondContact O-N 2.61Å; Y437-G442 CarbonylContact O-C 3.58Å; Y437-G442 WeakPolarHBondContact O-CA 3.5Å; Y437-T443 HydrophobicContact CD2-CG2 3.64Å; Y437-T443 HydrophobicContact CE2-CG2 4.45Å; Y437-T443 HydrophobicContact CG-CG2 3.99Å; Y437-A444 VanDerWaalsContact C-CB 3.5Å; Y437-A444 VanDerWaalsContact O-CB 3.29Å; Y437-A444 WeakPolarHBondContact O-CB 3.48Å; Y437-A444 PolarHBondContact O-N 3.13Å
438G98.3Very high98.4Very high39 Ų3943.4 Ų43.440%0.40225%0.251SS..  trans-76.9-10.4-178.700000115.3Q436Q436-G438 PolarHBondContact O-N 2.86Å
439A98.5Very high98.5Very high79 Ų7943 Ų4365%0.65325%0.252SS*.SBendtrans-62.9145.1169.900000110.4Y437 G441 G442Y437-A439 VanDerWaalsContact C-N 3.32Å; Y437-A439 PolarHBondContact O-N 2.61Å; A439-G441 PolarHBondContact O-N 2.96Å; A439-G442 PolarHBondContact O-N 3.26Å
440L98.6Very high98.6Very high124 Ų12442.5 Ų42.565%0.64924%0.244SC*.THydrogen-bonded Turntrans-57.4127.4-176.5-62.6-177.9000111.3W450L440-W450 HydrophobicContact CB-CE3 4.32Å; L440-W450 HydrophobicContact CB-CH2 4.27Å; L440-W450 HydrophobicContact CB-CZ3 4.17Å; L440-W450 HydrophobicContact CD1-CZ2 4.06Å; L440-W450 HydrophobicContact CD2-CB 4.43Å; L440-W450 HydrophobicContact CD2-CD2 3.73Å; L440-W450 HydrophobicContact CD2-CE3 4.13Å; L440-W450 HydrophobicContact CD2-CG 3.84Å
441G98.3Very high98.6Very high38 Ų3841 Ų4139%0.39224%0.239SC..THydrogen-bonded Turntrans94-6.4-174.500000114.2H171 A439 S447H171-G441 PolarHBondContact CE1-O 3.46Å; A439-G441 PolarHBondContact O-N 2.96Å; G441-S447 PolarHBondContact N-OG 2.87Å; G441-S447 VanDerWaalsContact N-OG 3.1Å
442G98.7Very high98.7Very high17 Ų1740.3 Ų40.318%0.17523%0.23CC..SBendtrans-76.3177.3172.600000113.9Y437 A439 S447 Q451Y437-G442 CarbonylContact O-C 3.58Å; Y437-G442 WeakPolarHBondContact O-CA 3.5Å; A439-G442 PolarHBondContact O-N 3.26Å; G442-S447 PolarHBondContact N-OG 3.24Å; G442-S447 WeakPolarHBondContact O-CB 3.45Å; G442-S447 PolarHBondContact O-OG 2.95Å; G442-Q451 PolarHBondContact O-NE2 2.61Å; G442-Q451 VanDerWaalsContact O-NE2 3.13Å
443T98.8Very high98.7Very high4 Ų443.8 Ų43.83%0.02524%0.24CC..SBendtrans-90.51.7-176.2-169.20000114.9I167 R168 V434 Y437I167-T443 HydrophobicContact CG2-CG2 4.41Å; R168-T443 WeakPolarHBondContact CD-O 3.27Å; R168-T443 WeakPolarHBondContact CG-O 2.99Å; R168-T443 PolarHBondContact N-OG1 3.39Å; R168-T443 PolarHBondContact NE-O 2.95Å; V434-T443 HydrophobicContact CB-CG2 3.96Å; V434-T443 HydrophobicContact CG1-CG2 4.16Å; Y437-T443 HydrophobicContact CD2-CG2 3.64Å; Y437-T443 HydrophobicContact CE2-CG2 4.45Å; Y437-T443 HydrophobicContact CG-CG2 3.99Å
444A98.8Very high98.7Very high0 Ų048 Ų480%026%0.26CS..SBendtrans-62.9151.5174.700000110.9V434 Y437 S446 S447 V448V434-A444 VanDerWaalsContact O-CA 3.22Å; V434-A444 WeakPolarHBondContact O-CA 3.41Å; V434-A444 PolarHBondContact O-N 3.46Å; Y437-A444 VanDerWaalsContact C-CB 3.5Å; Y437-A444 VanDerWaalsContact O-CB 3.29Å; Y437-A444 WeakPolarHBondContact O-CB 3.48Å; Y437-A444 PolarHBondContact O-N 3.13Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 2.92Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.34Å; A444-V448 PolarHBondContact O-N 3.47Å
445R98.8Very high98.7Very high99 Ų9948.2 Ų48.237%0.37426%0.261SS..Hα-helixtrans-54.4-44.9-176.5-172.9172.3176.7144.12.9112.2D152 E435 S447 V448 D449D152-R445 IonicContact OD1-CZ 2.8Å; D152-R445 IonicContact OD1-NE 3.37Å; D152-R445 IonicContact OD1-NH1 3.44Å; D152-R445 PolarHBondContact OD1-NH1 3.03Å; D152-R445 IonicContact OD2-CZ 3.45Å; D152-R445 IonicContact OD2-NH1 2.62Å; D152-R445 PolarHBondContact OD2-NH1 3.41Å; D152-R445 IonicContact OD2-NH2 3.5Å; E435-R445 WeakPolarHBondContact OE1-CB 3.4Å; E435-R445 PolarHBondContact OE1-N 3.29Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.28Å; R445-V448 PolarHBondContact O-N 2.93Å; R445-D449 VanDerWaalsContact O-CG 3.31Å; R445-D449 PolarHBondContact O-N 3.18Å
446S98.6Very high98.7Very high69 Ų6948.5 Ų48.548%0.48326%0.259SS..Hα-helixtrans-61.3-36.7178.957.70000113.2A444 W450A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 2.92Å; S446-W450 PolarHBondContact O-N 2.61Å
447S98.8Very high98.7Very high1 Ų149 Ų491%0.00727%0.269CS..Hα-helixtrans-73.4-38.7175.91740000111.8G441 G442 A444 R445 D449 W450 Q451G441-S447 PolarHBondContact N-OG 2.87Å; G441-S447 VanDerWaalsContact N-OG 3.1Å; G442-S447 PolarHBondContact N-OG 3.24Å; G442-S447 WeakPolarHBondContact O-CB 3.45Å; G442-S447 PolarHBondContact O-OG 2.95Å; A444-S447 WeakPolarHBondContact O-CB 3.38Å; A444-S447 PolarHBondContact O-N 3.34Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.28Å; S447-D449 VanDerWaalsContact C-N 3.35Å; S447-W450 WeakPolarHBondContact O-CB 3.45Å; S447-W450 PolarHBondContact O-N 3.24Å; S447-Q451 WeakPolarHBondContact O-CG 3.32Å; S447-Q451 PolarHBondContact O-N 3.24Å; S447-Q451 PolarHBondContact O-NE2 3.11Å; S447-Q451 PolarHBondContact OG-NE2 3.35Å
448V98.9Very high98.7Very high0 Ų050.7 Ų50.70%028%0.281CS..Hα-helixtrans-62.7-42.8173.5172.20000110.7R151 H171 L174 A444 R445 W450 Q451 I452R151-V448 HydrophobicContact CG-CG1 4.03Å; H171-V448 HydrophobicContact CB-CG2 4.24Å; L174-V448 HydrophobicContact CD1-CG1 3.81Å; A444-V448 PolarHBondContact O-N 3.47Å; R445-V448 PolarHBondContact O-N 2.93Å; V448-W450 VanDerWaalsContact C-N 3.31Å; V448-W450 PolarHBondContact O-N 3.37Å; V448-Q451 PolarHBondContact O-N 3.48Å; V448-I452 HydrophobicContact CG1-CD1 4.03Å; V448-I452 WeakPolarHBondContact O-CG1 3.29Å; V448-I452 PolarHBondContact O-N 2.93Å
449D98.8Very high98.6Very high33 Ų3349.5 Ų49.518%0.17627%0.266CS..Hα-helixtrans-61.5-39.2174.4-70.4-21.9000112.2R151 R445 S447 R453R151-D449 WeakPolarHBondContact CD-OD1 3.49Å; R151-D449 IonicContact CZ-OD1 2.68Å; R151-D449 IonicContact NE-OD1 3.51Å; R151-D449 IonicContact NH1-OD1 3.52Å; R151-D449 PolarHBondContact NH1-OD1 3.33Å; R151-D449 IonicContact NH1-OD2 2.93Å; R445-D449 VanDerWaalsContact O-CG 3.31Å; R445-D449 PolarHBondContact O-N 3.18Å; S447-D449 VanDerWaalsContact C-N 3.35Å; D449-R453 WeakPolarHBondContact O-CG 3.22Å; D449-R453 PolarHBondContact O-N 3.27Å; D449-R453 PolarHBondContact O-NH1 2.83Å
450W98.9Very high98.6Very high81 Ų8152.7 Ų52.731%0.30727%0.267SS..Hα-helixtrans-63.4-46.7173.2173.785.1000111.6L440 S446 S447 V448 I452 R453 Q454L440-W450 HydrophobicContact CB-CE3 4.32Å; L440-W450 HydrophobicContact CB-CH2 4.27Å; L440-W450 HydrophobicContact CB-CZ3 4.17Å; L440-W450 HydrophobicContact CD1-CZ2 4.06Å; L440-W450 HydrophobicContact CD2-CB 4.43Å; L440-W450 HydrophobicContact CD2-CD2 3.73Å; L440-W450 HydrophobicContact CD2-CE3 4.13Å; L440-W450 HydrophobicContact CD2-CG 3.84Å; S446-W450 PolarHBondContact O-N 2.61Å; S447-W450 WeakPolarHBondContact O-CB 3.45Å; S447-W450 PolarHBondContact O-N 3.24Å; V448-W450 VanDerWaalsContact C-N 3.31Å; V448-W450 PolarHBondContact O-N 3.37Å; W450-I452 PolarHBondContact O-N 3.49Å; W450-R453 PolarHBondContact O-N 2.98Å; W450-Q454 HydrophobicContact CD2-CG 3.88Å; W450-Q454 VanDerWaalsContact CE2-CG 3.46Å; W450-Q454 HydrophobicContact CE3-CG 4.35Å; W450-Q454 HydrophobicContact CG-CG 4.42Å; W450-Q454 HydrophobicContact CH2-CG 4.06Å; W450-Q454 HydrophobicContact CZ2-CG 3.57Å; W450-Q454 HydrophobicContact CZ3-CG 4.42Å; W450-Q454 WeakPolarHBondContact O-CG 3.47Å; W450-Q454 PolarHBondContact O-N 3.08Å
451Q98.9Very high98.5Very high20 Ų2050.2 Ų50.29%0.09326%0.264CS..Hα-helixtrans-58.7-44.7177.9-73.6170.370.700112H171 L174 G442 S447 V448 R453 Q454 V455H171-Q451 PolarHBondContact ND1-OE1 3.42Å; L174-Q451 HydrophobicContact CD1-CB 3.95Å; G442-Q451 PolarHBondContact O-NE2 2.61Å; G442-Q451 VanDerWaalsContact O-NE2 3.13Å; S447-Q451 WeakPolarHBondContact O-CG 3.32Å; S447-Q451 PolarHBondContact O-N 3.24Å; S447-Q451 PolarHBondContact O-NE2 3.11Å; S447-Q451 PolarHBondContact OG-NE2 3.35Å; V448-Q451 PolarHBondContact O-N 3.48Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.32Å; Q451-Q454 PolarHBondContact O-N 2.77Å; Q451-V455 WeakPolarHBondContact O-CG2 3.37Å; Q451-V455 PolarHBondContact O-N 3.06Å
452I98.9Very high98.3Very high4 Ų449.5 Ų49.52%0.02125%0.251CS..Hα-helixtrans-56.2-49.2176.2-71161.7000110.4V144 E148 R151 L174 V448 W450 Q454 V455 R456V144-I452 HydrophobicContact CG1-CB 4.49Å; V144-I452 HydrophobicContact CG1-CG2 3.86Å; E148-I452 HydrophobicContact CB-CD1 3.92Å; E148-I452 HydrophobicContact CG-CD1 4.31Å; R151-I452 HydrophobicContact CG-CD1 4.23Å; L174-I452 HydrophobicContact CD1-CG1 3.96Å; L174-I452 HydrophobicContact CD2-CG1 4.13Å; V448-I452 HydrophobicContact CG1-CD1 4.03Å; V448-I452 WeakPolarHBondContact O-CG1 3.29Å; V448-I452 PolarHBondContact O-N 2.93Å; W450-I452 PolarHBondContact O-N 3.49Å; I452-Q454 PolarHBondContact O-N 3.31Å; I452-V455 PolarHBondContact O-N 2.89Å; I452-R456 WeakPolarHBondContact O-CB 3.44Å; I452-R456 WeakPolarHBondContact O-CG 3.35Å; I452-R456 PolarHBondContact O-N 3.49Å
453R98.8Very high97.8Very high143 Ų14354.6 Ų54.654%0.5427%0.27SS..Hα-helixtrans-61.4-42.4177.9-71.5-171.3-62-85.41.2112.3D449 W450 Q451 R456 A457D449-R453 WeakPolarHBondContact O-CG 3.22Å; D449-R453 PolarHBondContact O-N 3.27Å; D449-R453 PolarHBondContact O-NH1 2.83Å; W450-R453 PolarHBondContact O-N 2.98Å; Q451-R453 VanDerWaalsContact C-N 3.34Å; Q451-R453 PolarHBondContact O-N 3.32Å; R453-R456 PolarHBondContact O-N 2.78Å; R453-A457 WeakPolarHBondContact O-CB 3.33Å; R453-A457 PolarHBondContact O-N 2.7Å
454Q98.8Very high96.5Very high90 Ų9061.3 Ų61.342%0.42133%0.326SS..Hα-helixtrans-62.5-46.1178.4-69-57.6108.200111.9W450 Q451 I452 A457 L458W450-Q454 HydrophobicContact CD2-CG 3.88Å; W450-Q454 VanDerWaalsContact CE2-CG 3.46Å; W450-Q454 HydrophobicContact CE3-CG 4.35Å; W450-Q454 HydrophobicContact CG-CG 4.42Å; W450-Q454 HydrophobicContact CH2-CG 4.06Å; W450-Q454 HydrophobicContact CZ2-CG 3.57Å; W450-Q454 HydrophobicContact CZ3-CG 4.42Å; W450-Q454 WeakPolarHBondContact O-CG 3.47Å; W450-Q454 PolarHBondContact O-N 3.08Å; Q451-Q454 PolarHBondContact O-N 2.77Å; I452-Q454 PolarHBondContact O-N 3.31Å; Q454-A457 PolarHBondContact O-N 2.8Å; Q454-L458 WeakPolarHBondContact O-CG 3.5Å; Q454-L458 PolarHBondContact O-N 3.42Å
455V98.7Very high96.4Very high4 Ų464.4 Ų64.42%0.02434%0.342CS..Hα-helixtrans-66.5-40.7179.2177.30000111.1I140 V144 V178 T181 Q451 I452 A457 L458 L459I140-V455 HydrophobicContact CG2-CG1 3.86Å; V144-V455 HydrophobicContact CG2-CB 4.11Å; V144-V455 HydrophobicContact CG2-CG1 3.5Å; V144-V455 VanDerWaalsContact CG2-CG1 3.5Å; V178-V455 HydrophobicContact CG2-CG2 3.82Å; T181-V455 HydrophobicContact CG2-CG1 3.82Å; Q451-V455 WeakPolarHBondContact O-CG2 3.37Å; Q451-V455 PolarHBondContact O-N 3.06Å; I452-V455 PolarHBondContact O-N 2.89Å; V455-A457 VanDerWaalsContact C-N 3.32Å; V455-A457 PolarHBondContact O-N 2.98Å; V455-L458 PolarHBondContact O-N 3.17Å; V455-L459 WeakPolarHBondContact O-CG 3.41Å; V455-L459 PolarHBondContact O-N 3.11Å
456R98.6Very high96.2Very high86 Ų8662.5 Ų62.533%0.32534%0.34SS..Hα-helixtrans-59.2-42.8173.8-72.5-173.9-174.5-68.72.7111.8V144 D145 E148 I452 R453 L459 Q460V144-R456 HydrophobicContact CG1-CG 4.01Å; D145-R456 IonicContact OD1-CZ 3.06Å; D145-R456 IonicContact OD1-NH1 3.54Å; D145-R456 PolarHBondContact OD1-NH1 3.06Å; D145-R456 IonicContact OD1-NH2 2.76Å; D145-R456 PolarHBondContact OD1-NH2 3.44Å; E148-R456 IonicContact OE2-CZ 3.68Å; E148-R456 IonicContact OE2-NE 3.68Å; E148-R456 IonicContact OE2-NH2 3.53Å; E148-R456 PolarHBondContact OE2-NH2 2.93Å; I452-R456 WeakPolarHBondContact O-CB 3.44Å; I452-R456 WeakPolarHBondContact O-CG 3.35Å; I452-R456 PolarHBondContact O-N 3.49Å; R453-R456 PolarHBondContact O-N 2.78Å; R456-L459 PolarHBondContact O-N 3.3Å; R456-Q460 PolarHBondContact O-N 3.48Å
457A98.5Very high96.1Very high48 Ų4862.2 Ų62.240%0.39733%0.332SS..Hα-helixtrans-65.4-39.5177.100000112.5R453 Q454 V455 Q460 A461R453-A457 WeakPolarHBondContact O-CB 3.33Å; R453-A457 PolarHBondContact O-N 2.7Å; Q454-A457 PolarHBondContact O-N 2.8Å; V455-A457 VanDerWaalsContact C-N 3.32Å; V455-A457 PolarHBondContact O-N 2.98Å; A457-Q460 PolarHBondContact O-N 2.78Å; A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 2.6Å
458L98.4Very high95.9Very high85 Ų8565.8 Ų65.845%0.44535%0.352SS..Hα-helixtrans-61.6-46.8174.6-72.9172.9000111.7Q454 V455 Q460 A461 Q462Q454-L458 WeakPolarHBondContact O-CG 3.5Å; Q454-L458 PolarHBondContact O-N 3.42Å; V455-L458 PolarHBondContact O-N 3.17Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 2.9Å; L458-A461 PolarHBondContact O-N 3.02Å; L458-Q462 WeakPolarHBondContact O-CB 3.03Å; L458-Q462 VanDerWaalsContact O-CG 3.31Å; L458-Q462 WeakPolarHBondContact O-CG 3.21Å; L458-Q462 PolarHBondContact O-N 3.01Å
459L96.8Very high95.7Very high14 Ų1469.9 Ų69.97%0.07337%0.374CS..Hα-helixtrans-60.5-41.9176.5-71.7178000111.8W137 I140 R141 V455 R456 Q462 Q463W137-L459 HydrophobicContact CB-CD2 4.42Å; W137-L459 VanDerWaalsContact CD1-CD2 3.48Å; W137-L459 HydrophobicContact CG-CD2 4.19Å; I140-L459 HydrophobicContact CB-CD1 4.34Å; I140-L459 HydrophobicContact CB-CD2 4.19Å; I140-L459 HydrophobicContact CD1-CD2 4.13Å; I140-L459 HydrophobicContact CG2-CD1 3.86Å; I140-L459 HydrophobicContact CG2-CD2 4.01Å; I140-L459 HydrophobicContact CG2-CG 4.21Å; R141-L459 HydrophobicContact CB-CD1 4.29Å; V455-L459 WeakPolarHBondContact O-CG 3.41Å; V455-L459 PolarHBondContact O-N 3.11Å; R456-L459 PolarHBondContact O-N 3.3Å; L459-Q462 PolarHBondContact O-N 3.24Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å
460Q97.2Very high95.5Very high147 Ų14772.3 Ų72.369%0.68739%0.387SS*.Hα-helixtrans-63.1-43.8177-174.3179.37.400111.8R456 A457 L458 Q462 Q463R456-Q460 PolarHBondContact O-N 3.48Å; A457-Q460 PolarHBondContact O-N 2.78Å; L458-Q460 VanDerWaalsContact C-N 3.31Å; L458-Q460 PolarHBondContact O-N 2.9Å; Q460-Q462 VanDerWaalsContact C-N 3.26Å; Q460-Q462 PolarHBondContact O-N 3.28Å; Q460-Q463 PolarHBondContact O-N 3.32Å
461A97.5Very high95.3Very high71 Ų7171.7 Ų71.759%0.58739%0.392SS*.Hα-helixtrans-65.3-30178.600000112.8A457 L458A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 2.6Å; L458-A461 PolarHBondContact O-N 3.02Å
462Q94.9Very high95Very high24 Ų2475.7 Ų75.711%0.11242%0.415CS..Hα-helixtrans-79.2-16.4179-76.2-178.8-3.300114.3W137 S184 L188 L458 L459 Q460W137-Q462 HydrophobicContact CZ2-CB 4.01Å; W137-Q462 VanDerWaalsContact CZ2-O 3.3Å; W137-Q462 WeakPolarHBondContact CZ2-O 3.48Å; W137-Q462 VanDerWaalsContact NE1-OE1 3.09Å; S184-Q462 PolarHBondContact OG-OE1 3.25Å; L188-Q462 HydrophobicContact CD1-CB 3.74Å; L188-Q462 HydrophobicContact CD1-CG 3.6Å; L458-Q462 WeakPolarHBondContact O-CB 3.03Å; L458-Q462 VanDerWaalsContact O-CG 3.31Å; L458-Q462 WeakPolarHBondContact O-CG 3.21Å; L458-Q462 PolarHBondContact O-N 3.01Å; L459-Q462 PolarHBondContact O-N 3.24Å; Q460-Q462 VanDerWaalsContact C-N 3.26Å; Q460-Q462 PolarHBondContact O-N 3.28Å
463Q86.5Confident94.7Very high124 Ų12481.7 Ų81.758%0.57945%0.448SS*.THydrogen-bonded Turntrans-87.4-11.5177.4-72.4176.67.700113.5W137 L459 Q460W137-Q463 HydrophobicContact CD2-CG 4.48Å; W137-Q463 HydrophobicContact CE3-CG 4.21Å; W137-Q463 HydrophobicContact CH2-CG 4.35Å; W137-Q463 HydrophobicContact CZ3-CG 4.15Å; L459-Q463 WeakPolarHBondContact O-CG 3.44Å; L459-Q463 PolarHBondContact O-N 2.98Å; Q460-Q463 PolarHBondContact O-N 3.32Å
464A71.8Confident94.3Very high144 Ų14476.1 Ų76.1100%1.1944%0.44SS*.  trans-82.7017200000110.7

Retrieved 464 of 464 residues in 1603.5 ms (Link to these results)