A0A077Z490_TRITR Loading...

CENP-B N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z490, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 581 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
1M38.9Very low65.2Low240 Ų240132.4 Ų132.4100%1.18259%0.585SS**  099.30-163.1177.8174.200108.5K3M1-K3 PolarHBondContact O-N 3.42Å
2Y42.1Very low67Low235 Ų235130.8 Ų130.892%0.92258%0.58SS**  trans-68.5116.9179.7-89.9-93.5000109.9K4Y2-K4 PolarHBondContact O-N 3.38Å
3K47.8Very low68.8Low206 Ų206127.8 Ų127.890%0.89657%0.567SS**  trans-69.6111.6171.9-84.4-178.2176.7174.60108.9M1 K5M1-K3 PolarHBondContact O-N 3.42Å; K3-K5 PolarHBondContact O-N 2.97Å
4K55.1Low70.4Confident205 Ų205120.6 Ų120.689%0.89153%0.534SS*.  trans-54.9130.6169.9-94.4-175.3174.6-1780109.7Y2 R6Y2-K4 PolarHBondContact O-N 3.38Å; K4-R6 PolarHBondContact O-N 3.24Å
5K56.4Low71.8Confident184 Ų184113.4 Ų113.480%0.850%0.504SS*.  trans-59.5129.2175.1-163.9174.1-177.2178.30109.2K3 I7K3-K5 PolarHBondContact O-N 2.97Å; K5-I7 PolarHBondContact O-N 3.14Å
6R65.1Low73Confident227 Ų227112.8 Ų112.886%0.85750%0.503SS*.  trans-70.6114.8179.6-166.9177.3-173.51752.2109.2K4K4-R6 PolarHBondContact O-N 3.24Å
7I76.4Confident74Confident80 Ų80106.2 Ų106.241%0.4147%0.473SS..  trans-93.1133.4174.5-65.2166.5000108.1K5 G35 V36 M40K5-I7 PolarHBondContact O-N 3.14Å; I7-G35 WeakPolarHBondContact CD1-O 3.38Å; I7-V36 HydrophobicContact CB-CG1 4Å; I7-V36 HydrophobicContact CG2-CG1 3.69Å; I7-M40 WeakPolarHBondContact O-CE 3.43Å
8T78.3Confident75Confident57 Ų57100.6 Ų100.635%0.3545%0.448SS..  trans-118.2127.2175.4-55.20000109.6K68T8-K68 HydrophobicContact CG2-CB 4.12Å; T8-K68 HydrophobicContact CG2-CD 4.43Å; T8-K68 HydrophobicContact CG2-CG 4.46Å; T8-K68 WeakPolarHBondContact O-CE 2.94Å
9L84.8Confident75.9Confident3 Ų3101.2 Ų101.22%0.01645%0.451CS..  trans-72.7142.5178.4-61.4162.4000111.9K13 K14 I17 Y34 V36 M40 I41 V44L9-K13 HydrophobicContact CB-CB 4.25Å; L9-K13 HydrophobicContact CD2-CB 4.15Å; L9-K13 HydrophobicContact CD2-CD 4.33Å; L9-K14 HydrophobicContact CB-CG 3.79Å; L9-K14 HydrophobicContact CD1-CG 4.47Å; L9-K14 WeakPolarHBondContact O-CE 3.48Å; L9-I17 HydrophobicContact CD1-CD1 3.3Å; L9-I17 HydrophobicContact CD2-CD1 4.08Å; L9-I17 HydrophobicContact CG-CD1 4.25Å; L9-Y34 HydrophobicContact CD2-CD1 4.19Å; L9-Y34 HydrophobicContact CD2-CD2 3.94Å; L9-Y34 HydrophobicContact CD2-CG 3.69Å; L9-V36 HydrophobicContact CD1-CG1 4.4Å; L9-V36 HydrophobicContact CD1-CG2 4.33Å; L9-V36 HydrophobicContact CD2-CG1 3.98Å; L9-V36 HydrophobicContact CG-CG1 3.96Å; L9-M40 HydrophobicContact CB-SD 4.49Å; L9-M40 HydrophobicContact CD1-CG 4.01Å; L9-M40 HydrophobicContact CD1-SD 3.87Å; L9-M40 HydrophobicContact CG-SD 3.84Å; L9-I41 HydrophobicContact CD1-CD1 4.31Å; L9-V44 HydrophobicContact CD1-CG2 4.16Å
10T86.7Confident76.6Confident16 Ų1696.8 Ų96.810%0.09843%0.433CS..  trans-67.3159.7169.460.20000110.6E12 K13 K14 R67 K68T10-E12 PolarHBondContact O-N 3.15Å; T10-K13 PolarHBondContact O-N 3.32Å; T10-K13 WeakPolarHBondContact OG1-CB 3.42Å; T10-K13 WeakPolarHBondContact OG1-CG 3.17Å; T10-K13 PolarHBondContact OG1-N 3.49Å; T10-K13 VanDerWaalsContact OG1-N 3.15Å; T10-K14 WeakPolarHBondContact O-CB 3.47Å; T10-K14 WeakPolarHBondContact O-CG 3.47Å; T10-K14 PolarHBondContact O-N 3.43Å; T10-R67 CarbonylContact C-O 3.58Å; T10-R67 VanDerWaalsContact CA-O 3.3Å; T10-R67 WeakPolarHBondContact CA-O 3.43Å; T10-K68 HydrophobicContact CG2-CG 3.97Å
11I85.5Confident77.2Confident3 Ų394 Ų942%0.01542%0.422CS..Hα-helixtrans-56.2-41.9174.1-63.4-58000109.4K14 V15 I51 Y54 R67 M70I11-K14 HydrophobicContact CD1-CD 4.26Å; I11-K14 CarbonylContact O-C 3.57Å; I11-K14 WeakPolarHBondContact O-CB 3.32Å; I11-K14 PolarHBondContact O-N 3.35Å; I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.3Å; I11-V15 PolarHBondContact O-N 3.23Å; I11-I51 HydrophobicContact CG2-CG2 4.44Å; I11-Y54 HydrophobicContact CD1-CD1 4.3Å; I11-Y54 HydrophobicContact CG1-CD1 4.19Å; I11-Y54 HydrophobicContact CG1-CE1 4.13Å; I11-Y54 HydrophobicContact CG2-CD1 4.18Å; I11-R67 WeakPolarHBondContact CG1-O 3.3Å; I11-R67 PolarHBondContact N-O 3.39Å; I11-M70 HydrophobicContact CD1-CG 3.59Å
12E87.6Confident79.7Confident113 Ų11390 Ų9053%0.52840%0.398SS..Hα-helixtrans-58-50.8174-68.7-174.6165.200113.2T10 K14 V15 E16 S65T10-E12 PolarHBondContact O-N 3.15Å; E12-K14 VanDerWaalsContact C-N 3.27Å; E12-K14 PolarHBondContact O-N 2.88Å; E12-V15 CarbonylContact O-C 3.32Å; E12-V15 WeakPolarHBondContact O-CA 3.29Å; E12-V15 WeakPolarHBondContact O-CB 3.29Å; E12-V15 PolarHBondContact O-N 2.68Å; E12-E16 PolarHBondContact O-N 2.83Å; E12-S65 VanDerWaalsContact OE1-CA 3.3Å; E12-S65 WeakPolarHBondContact OE1-CA 3.42Å; E12-S65 WeakPolarHBondContact OE1-CB 3.47Å; E12-S65 WeakPolarHBondContact OE2-CB 3.41Å
13K89.3Confident81.9Confident93 Ų9388.2 Ų88.240%0.40439%0.39SS..Hα-helixtrans-62.8-35.9176.8-73.8179.1179.5-177.30111.8L9 T10 V15 E16 I17 Y34L9-K13 HydrophobicContact CB-CB 4.25Å; L9-K13 HydrophobicContact CD2-CB 4.15Å; L9-K13 HydrophobicContact CD2-CD 4.33Å; T10-K13 PolarHBondContact O-N 3.32Å; T10-K13 WeakPolarHBondContact OG1-CB 3.42Å; T10-K13 WeakPolarHBondContact OG1-CG 3.17Å; T10-K13 PolarHBondContact OG1-N 3.49Å; T10-K13 VanDerWaalsContact OG1-N 3.15Å; K13-V15 VanDerWaalsContact C-N 3.35Å; K13-E16 PolarHBondContact O-N 3.46Å; K13-I17 WeakPolarHBondContact O-CB 3.41Å; K13-I17 WeakPolarHBondContact O-CD1 3.36Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 2.77Å; K13-Y34 HydrophobicContact CD-CD1 4.15Å; K13-Y34 HydrophobicContact CD-CE1 3.95Å; K13-Y34 HydrophobicContact CG-CE1 4.19Å
14K92Very high83.8Confident26 Ų2681.6 Ų81.611%0.11338%0.38CS..Hα-helixtrans-64.2-41173.4-67.8170.8177.4169.30110.8L9 T10 I11 E12 I17 I18 V44 I51 K68L9-K14 HydrophobicContact CB-CG 3.79Å; L9-K14 HydrophobicContact CD1-CG 4.47Å; L9-K14 WeakPolarHBondContact O-CE 3.48Å; T10-K14 WeakPolarHBondContact O-CB 3.47Å; T10-K14 WeakPolarHBondContact O-CG 3.47Å; T10-K14 PolarHBondContact O-N 3.43Å; I11-K14 HydrophobicContact CD1-CD 4.26Å; I11-K14 CarbonylContact O-C 3.57Å; I11-K14 WeakPolarHBondContact O-CB 3.32Å; I11-K14 PolarHBondContact O-N 3.35Å; E12-K14 VanDerWaalsContact C-N 3.27Å; E12-K14 PolarHBondContact O-N 2.88Å; K14-I17 PolarHBondContact O-N 2.93Å; K14-I18 WeakPolarHBondContact O-CB 3.47Å; K14-I18 VanDerWaalsContact O-CD1 3.29Å; K14-I18 WeakPolarHBondContact O-CD1 3.23Å; K14-I18 WeakPolarHBondContact O-CG1 3.36Å; K14-I18 PolarHBondContact O-N 3.44Å; K14-V44 HydrophobicContact CB-CG1 4Å; K14-V44 HydrophobicContact CB-CG2 4.34Å; K14-V44 HydrophobicContact CD-CG2 4.22Å; K14-V44 HydrophobicContact CG-CG1 4.28Å; K14-V44 HydrophobicContact CG-CG2 3.7Å; K14-I51 HydrophobicContact CB-CD1 4.26Å; K14-I51 HydrophobicContact CB-CG2 3.92Å; K14-I51 HydrophobicContact CD-CD1 4.14Å; K14-K68 PolarHBondContact NZ-O 3.24Å
15V90.9Very high85.3Confident13 Ų1374.7 Ų74.78%0.07936%0.355CS..Hα-helixtrans-65.2-40.9174.9170.90000111.2I11 E12 K13 I18 K19 I51 L52I11-V15 HydrophobicContact CG2-CG2 4.42Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.3Å; I11-V15 PolarHBondContact O-N 3.23Å; E12-V15 CarbonylContact O-C 3.32Å; E12-V15 WeakPolarHBondContact O-CA 3.29Å; E12-V15 WeakPolarHBondContact O-CB 3.29Å; E12-V15 PolarHBondContact O-N 2.68Å; K13-V15 VanDerWaalsContact C-N 3.35Å; V15-I18 PolarHBondContact O-N 3.49Å; V15-K19 HydrophobicContact CG1-CD 4.04Å; V15-K19 HydrophobicContact CG1-CG 4.4Å; V15-K19 WeakPolarHBondContact O-CB 3.35Å; V15-K19 VanDerWaalsContact O-CG 3.32Å; V15-K19 WeakPolarHBondContact O-CG 3.45Å; V15-K19 PolarHBondContact O-N 3.14Å; V15-I51 HydrophobicContact CG2-CG2 3.96Å; V15-L52 HydrophobicContact CG1-CD2 4.3Å; V15-L52 HydrophobicContact CG2-CD2 4.46Å
16E90.6Very high86.7Confident104 Ų10469.6 Ų69.649%0.48634%0.343SS..Hα-helixtrans-59.3-49.6174-170.4-170.4164.300111.2E12 K13 I18 K19 A20 Y34E12-E16 PolarHBondContact O-N 2.83Å; K13-E16 PolarHBondContact O-N 3.46Å; E16-I18 VanDerWaalsContact C-N 3.35Å; E16-I18 PolarHBondContact O-N 3.43Å; E16-K19 PolarHBondContact O-N 3.1Å; E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 2.83Å; E16-Y34 PolarHBondContact OE1-OH 3.37Å; E16-Y34 PolarHBondContact OE2-OH 3.1Å
17I91.1Very high87.5Confident0 Ų059.9 Ų59.90%031%0.313CS..Hα-helixtrans-59.3-45.5175.6-69.7160.5000110.5L9 K13 K14 K19 A20 L21 F30 Y34 I41 V44L9-I17 HydrophobicContact CD1-CD1 3.3Å; L9-I17 HydrophobicContact CD2-CD1 4.08Å; L9-I17 HydrophobicContact CG-CD1 4.25Å; K13-I17 WeakPolarHBondContact O-CB 3.41Å; K13-I17 WeakPolarHBondContact O-CD1 3.36Å; K13-I17 VanDerWaalsContact O-CG1 3.23Å; K13-I17 WeakPolarHBondContact O-CG1 3.5Å; K13-I17 PolarHBondContact O-N 2.77Å; K14-I17 PolarHBondContact O-N 2.93Å; I17-K19 PolarHBondContact O-N 3.38Å; I17-A20 PolarHBondContact O-N 3.32Å; I17-L21 HydrophobicContact CG2-CD1 3.64Å; I17-L21 HydrophobicContact CG2-CG 4.04Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.07Å; I17-F30 HydrophobicContact CG1-CB 4.24Å; I17-F30 HydrophobicContact CG1-CD1 3.97Å; I17-F30 HydrophobicContact CG1-CD2 4.41Å; I17-F30 HydrophobicContact CG1-CE1 4.47Å; I17-F30 HydrophobicContact CG1-CG 3.93Å; I17-F30 HydrophobicContact CG2-CD2 4.24Å; I17-F30 HydrophobicContact CG2-CG 4.49Å; I17-Y34 HydrophobicContact CD1-CD2 3.83Å; I17-Y34 HydrophobicContact CD1-CE2 3.63Å; I17-Y34 HydrophobicContact CG1-CD2 4.22Å; I17-Y34 HydrophobicContact CG1-CE2 3.58Å; I17-I41 HydrophobicContact CD1-CD1 3.89Å; I17-I41 HydrophobicContact CG2-CD1 4.39Å; I17-I41 HydrophobicContact CG2-CG2 4.37Å; I17-V44 HydrophobicContact CB-CG1 4.33Å; I17-V44 HydrophobicContact CG2-CG1 4.01Å
18I91.7Very high87.8Confident5 Ų559 Ų593%0.02631%0.307CS..Hα-helixtrans-61.5-44.5178.2-69.4159.1000110.8K14 V15 E16 K22 V44 A48 I51 L52K14-I18 WeakPolarHBondContact O-CB 3.47Å; K14-I18 VanDerWaalsContact O-CD1 3.29Å; K14-I18 WeakPolarHBondContact O-CD1 3.23Å; K14-I18 WeakPolarHBondContact O-CG1 3.36Å; K14-I18 PolarHBondContact O-N 3.44Å; V15-I18 PolarHBondContact O-N 3.49Å; E16-I18 VanDerWaalsContact C-N 3.35Å; E16-I18 PolarHBondContact O-N 3.43Å; I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 3.36Å; I18-K22 VanDerWaalsContact O-N 3.14Å; I18-V44 HydrophobicContact CD1-CG1 4.13Å; I18-V44 HydrophobicContact CG1-CG1 3.81Å; I18-A48 HydrophobicContact CD1-CB 3.98Å; I18-A48 HydrophobicContact CG1-CB 3.93Å; I18-A48 HydrophobicContact CG2-CB 4.02Å; I18-I51 HydrophobicContact CD1-CB 3.78Å; I18-I51 HydrophobicContact CD1-CD1 4.05Å; I18-I51 HydrophobicContact CD1-CG2 3.64Å; I18-L52 HydrophobicContact CG2-CD1 3.93Å; I18-L52 HydrophobicContact CG2-CD2 4.36Å; I18-L52 HydrophobicContact CG2-CG 4.21Å
19K91.7Very high88.1Confident113 Ų11358.6 Ų58.649%0.49131%0.307SS..Hα-helixtrans-63.5-40.9178.2-76175179.7176.10111.4V15 E16 I17 K22 R23V15-K19 HydrophobicContact CG1-CD 4.04Å; V15-K19 HydrophobicContact CG1-CG 4.4Å; V15-K19 WeakPolarHBondContact O-CB 3.35Å; V15-K19 VanDerWaalsContact O-CG 3.32Å; V15-K19 WeakPolarHBondContact O-CG 3.45Å; V15-K19 PolarHBondContact O-N 3.14Å; E16-K19 PolarHBondContact O-N 3.1Å; I17-K19 PolarHBondContact O-N 3.38Å; K19-K22 PolarHBondContact O-N 3.11Å; K19-R23 WeakPolarHBondContact O-CG 3.44Å; K19-R23 PolarHBondContact O-N 3.18Å
20A90.5Very high88.2Confident12 Ų1259.3 Ų59.310%0.09931%0.31CS..Hα-helixtrans-77.6-36.8-178.800000113.5E16 I17 K22 R23 G24 V25 F30E16-A20 WeakPolarHBondContact O-CB 3.48Å; E16-A20 PolarHBondContact O-N 2.83Å; I17-A20 PolarHBondContact O-N 3.32Å; A20-K22 PolarHBondContact O-N 2.86Å; A20-R23 WeakPolarHBondContact O-CA 3.49Å; A20-R23 PolarHBondContact O-N 2.88Å; A20-G24 PolarHBondContact O-N 3.23Å; A20-V25 HydrophobicContact CB-CB 4.21Å; A20-V25 HydrophobicContact CB-CG2 4.12Å; A20-V25 WeakPolarHBondContact O-CB 3.28Å; A20-V25 WeakPolarHBondContact O-CG2 3.13Å; A20-V25 PolarHBondContact O-N 2.91Å; A20-V25 VanDerWaalsContact O-N 3.14Å; A20-F30 HydrophobicContact CB-CE1 4.27Å; A20-F30 HydrophobicContact CB-CE2 3.77Å; A20-F30 HydrophobicContact CB-CZ 3.26Å
21L89.9Confident88Confident38 Ų3859.1 Ų59.120%0.19931%0.309CS..Hα-helixtrans-59-36.9170.5-73.3174.2000111.1I17 R23 G24 I41 R45I17-L21 HydrophobicContact CG2-CD1 3.64Å; I17-L21 HydrophobicContact CG2-CG 4.04Å; I17-L21 VanDerWaalsContact O-CB 3.29Å; I17-L21 WeakPolarHBondContact O-CB 3.42Å; I17-L21 WeakPolarHBondContact O-CG 3.47Å; I17-L21 PolarHBondContact O-N 3.07Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.39Å; L21-G24 PolarHBondContact O-N 2.83Å; L21-I41 HydrophobicContact CD1-CG2 4.36Å; L21-R45 HydrophobicContact CD1-CB 4.17Å; L21-R45 HydrophobicContact CD1-CG 4.48Å
22K89.5Confident87.9Confident157 Ų15764.1 Ų64.168%0.68334%0.336SS*.Hα-helixtrans-67.1-23.3173.3-76-178.3177.7-171.80113.8I18 K19 A20 G24I18-K22 WeakPolarHBondContact O-CG 3.42Å; I18-K22 PolarHBondContact O-N 3.36Å; I18-K22 VanDerWaalsContact O-N 3.14Å; K19-K22 PolarHBondContact O-N 3.11Å; A20-K22 PolarHBondContact O-N 2.86Å; K22-G24 VanDerWaalsContact C-N 3.32Å
23R89.2Confident87.7Confident197 Ų19762.7 Ų62.774%0.74334%0.338SS*.THydrogen-bonded Turntrans-884.5174.9-63.3174.5-158.6166.62.5113.3K19 A20 L21K19-R23 WeakPolarHBondContact O-CG 3.44Å; K19-R23 PolarHBondContact O-N 3.18Å; A20-R23 WeakPolarHBondContact O-CA 3.49Å; A20-R23 PolarHBondContact O-N 2.88Å; L21-R23 VanDerWaalsContact C-N 3.27Å; L21-R23 PolarHBondContact O-N 3.39Å
24G86.9Confident87.4Confident67 Ų6760.2 Ų60.269%0.69133%0.327SS*.THydrogen-bonded Turntrans86.78.8-18000000115.1A20 L21 K22 S26A20-G24 PolarHBondContact O-N 3.23Å; L21-G24 PolarHBondContact O-N 2.83Å; K22-G24 VanDerWaalsContact C-N 3.32Å; G24-S26 PolarHBondContact O-N 3.49Å
25V87.5Confident86.9Confident60 Ų6061.1 Ų61.136%0.36434%0.344SS..  trans-68.3133175.9-1770000109.9A20 G27 S29 F30A20-V25 HydrophobicContact CB-CB 4.21Å; A20-V25 HydrophobicContact CB-CG2 4.12Å; A20-V25 WeakPolarHBondContact O-CB 3.28Å; A20-V25 WeakPolarHBondContact O-CG2 3.13Å; A20-V25 PolarHBondContact O-N 2.91Å; A20-V25 VanDerWaalsContact O-N 3.14Å; V25-G27 PolarHBondContact O-N 3.03Å; V25-S29 WeakPolarHBondContact CG1-OG 3.29Å; V25-F30 HydrophobicContact CB-CE2 4.05Å; V25-F30 HydrophobicContact CB-CZ 4.26Å; V25-F30 HydrophobicContact CG1-CE2 3.66Å; V25-F30 HydrophobicContact CG1-CZ 3.74Å
26S85.6Confident86.5Confident78 Ų7860.8 Ų60.855%0.54534%0.342SS..  trans-64.6130.6-179.9176.60000111.7G24 Q28 S29G24-S26 PolarHBondContact O-N 3.49Å; S26-Q28 PolarHBondContact O-N 3.45Å; S26-Q28 VanDerWaalsContact O-N 3.1Å; S26-Q28 PolarHBondContact OG-N 3.1Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 3.11Å; S26-S29 VanDerWaalsContact O-N 3.1Å; S26-S29 PolarHBondContact O-OG 3.29Å
27G82.6Confident86.1Confident23 Ų2357.8 Ų57.824%0.23734%0.339CS..Hα-helixtrans-59.7-20.7176.200000114.3V25 S29 F30 S31V25-G27 PolarHBondContact O-N 3.03Å; G27-S29 VanDerWaalsContact C-N 3.34Å; G27-F30 PolarHBondContact O-N 2.89Å; G27-S31 PolarHBondContact O-N 3.05Å
28Q82.8Confident85.7Confident60 Ų6065.9 Ų65.928%0.2837%0.369SS..Hα-helixtrans-62.7-41.5175.1-176.356.343.800111.5S26 F30 S31 D32 R38S26-Q28 PolarHBondContact O-N 3.45Å; S26-Q28 VanDerWaalsContact O-N 3.1Å; S26-Q28 PolarHBondContact OG-N 3.1Å; Q28-F30 PolarHBondContact O-N 3.23Å; Q28-S31 VanDerWaalsContact O-CB 3.29Å; Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.38Å; Q28-D32 VanDerWaalsContact NE2-CG 3.31Å; Q28-D32 PolarHBondContact NE2-OD1 3.16Å; Q28-D32 PolarHBondContact NE2-OD2 3.38Å; Q28-D32 PolarHBondContact O-N 3.21Å; Q28-D32 VanDerWaalsContact O-N 3.1Å; Q28-R38 VanDerWaalsContact OE1-NH2 3.1Å
29S84.7Confident85.4Confident50 Ų5069.6 Ų69.635%0.3540%0.396SS..Hα-helixtrans-58.2-36.4179.5670000112.6V25 S26 G27 D32 S33V25-S29 WeakPolarHBondContact CG1-OG 3.29Å; S26-S29 WeakPolarHBondContact O-CB 3.45Å; S26-S29 PolarHBondContact O-N 3.11Å; S26-S29 VanDerWaalsContact O-N 3.1Å; S26-S29 PolarHBondContact O-OG 3.29Å; G27-S29 VanDerWaalsContact C-N 3.34Å; S29-D32 PolarHBondContact O-N 3.04Å; S29-S33 VanDerWaalsContact O-CB 3.29Å; S29-S33 WeakPolarHBondContact O-CB 3.5Å; S29-S33 PolarHBondContact O-N 2.87Å; S29-S33 PolarHBondContact O-OG 3.3Å
30F86.5Confident85Confident17 Ų1765.8 Ų65.88%0.07538%0.381CS..Hα-helixtrans-76.5-31.4176.9-63.4-58.3000113.7I17 A20 V25 G27 Q28 D32 S33 Y34 I41I17-F30 HydrophobicContact CG1-CB 4.24Å; I17-F30 HydrophobicContact CG1-CD1 3.97Å; I17-F30 HydrophobicContact CG1-CD2 4.41Å; I17-F30 HydrophobicContact CG1-CE1 4.47Å; I17-F30 HydrophobicContact CG1-CG 3.93Å; I17-F30 HydrophobicContact CG2-CD2 4.24Å; I17-F30 HydrophobicContact CG2-CG 4.49Å; A20-F30 HydrophobicContact CB-CE1 4.27Å; A20-F30 HydrophobicContact CB-CE2 3.77Å; A20-F30 HydrophobicContact CB-CZ 3.26Å; V25-F30 HydrophobicContact CB-CE2 4.05Å; V25-F30 HydrophobicContact CB-CZ 4.26Å; V25-F30 HydrophobicContact CG1-CE2 3.66Å; V25-F30 HydrophobicContact CG1-CZ 3.74Å; G27-F30 PolarHBondContact O-N 2.89Å; Q28-F30 PolarHBondContact O-N 3.23Å; F30-D32 VanDerWaalsContact C-N 3.26Å; F30-S33 WeakPolarHBondContact CA-OG 3.43Å; F30-Y34 HydrophobicContact CB-CD2 4.03Å; F30-Y34 HydrophobicContact CB-CE2 4.18Å; F30-Y34 HydrophobicContact CD1-CD2 4.1Å; F30-Y34 AromaticContact CD1-CE2 3.46Å; F30-Y34 HydrophobicContact CD1-CE2 3.46Å; F30-Y34 VanDerWaalsContact CD1-CE2 3.46Å; F30-Y34 HydrophobicContact CE1-CE2 4.27Å; F30-Y34 HydrophobicContact CG-CE2 4.21Å; F30-Y34 WeakPolarHBondContact O-CB 3.29Å; F30-Y34 WeakPolarHBondContact O-CD2 3.36Å; F30-Y34 PolarHBondContact O-N 2.94Å; F30-Y34 VanDerWaalsContact O-N 3.11Å; F30-I41 HydrophobicContact CB-CD1 3.68Å; F30-I41 HydrophobicContact CB-CG1 4.34Å
31S82.8Confident85Confident12 Ų1265.7 Ų65.78%0.08438%0.378CS..Hα-helixtrans-60.2-43.7172.2-162.50000110G27 Q28 G35 V36 R38G27-S31 PolarHBondContact O-N 3.05Å; Q28-S31 VanDerWaalsContact O-CB 3.29Å; Q28-S31 WeakPolarHBondContact O-CB 3.36Å; Q28-S31 PolarHBondContact O-N 3.38Å; S31-G35 CarbonylContact O-C 3.48Å; S31-G35 WeakPolarHBondContact O-CA 3.41Å; S31-G35 PolarHBondContact O-N 3.45Å; S31-V36 WeakPolarHBondContact CA-O 3.35Å; S31-V36 PolarHBondContact O-N 3.5Å; S31-V36 VanDerWaalsContact O-N 3.13Å; S31-V36 PolarHBondContact OG-O 2.64Å; S31-R38 PolarHBondContact OG-N 3.43Å
32D82.6Confident84.9Confident109 Ų10967.2 Ų67.258%0.58339%0.391SS*.Hα-helixtrans-76.7-45.7-178.3-59.9-31.7000111.6Q28 S29 F30 G35Q28-D32 VanDerWaalsContact NE2-CG 3.31Å; Q28-D32 PolarHBondContact NE2-OD1 3.16Å; Q28-D32 PolarHBondContact NE2-OD2 3.38Å; Q28-D32 PolarHBondContact O-N 3.21Å; Q28-D32 VanDerWaalsContact O-N 3.1Å; S29-D32 PolarHBondContact O-N 3.04Å; F30-D32 VanDerWaalsContact C-N 3.26Å; D32-G35 PolarHBondContact O-N 3.42Å
33S83.8Confident84.7Confident82 Ų8263.7 Ų63.757%0.57338%0.38SS*.Hα-helixtrans-68.3-37.2-176.971.40000114S29 F30S29-S33 VanDerWaalsContact O-CB 3.29Å; S29-S33 WeakPolarHBondContact O-CB 3.5Å; S29-S33 PolarHBondContact O-N 2.87Å; S29-S33 PolarHBondContact O-OG 3.3Å; F30-S33 WeakPolarHBondContact CA-OG 3.43Å
34Y83.4Confident84.7Confident41 Ų4154.5 Ų54.516%0.16135%0.346CS..THydrogen-bonded Turntrans-97.3-1.3178.9-59.3-63.7000113.7L9 K13 E16 I17 F30 V36L9-Y34 HydrophobicContact CD2-CD1 4.19Å; L9-Y34 HydrophobicContact CD2-CD2 3.94Å; L9-Y34 HydrophobicContact CD2-CG 3.69Å; K13-Y34 HydrophobicContact CD-CD1 4.15Å; K13-Y34 HydrophobicContact CD-CE1 3.95Å; K13-Y34 HydrophobicContact CG-CE1 4.19Å; E16-Y34 PolarHBondContact OE1-OH 3.37Å; E16-Y34 PolarHBondContact OE2-OH 3.1Å; I17-Y34 HydrophobicContact CD1-CD2 3.83Å; I17-Y34 HydrophobicContact CD1-CE2 3.63Å; I17-Y34 HydrophobicContact CG1-CD2 4.22Å; I17-Y34 HydrophobicContact CG1-CE2 3.58Å; F30-Y34 HydrophobicContact CB-CD2 4.03Å; F30-Y34 HydrophobicContact CB-CE2 4.18Å; F30-Y34 HydrophobicContact CD1-CD2 4.1Å; F30-Y34 AromaticContact CD1-CE2 3.46Å; F30-Y34 HydrophobicContact CD1-CE2 3.46Å; F30-Y34 VanDerWaalsContact CD1-CE2 3.46Å; F30-Y34 HydrophobicContact CE1-CE2 4.27Å; F30-Y34 HydrophobicContact CG-CE2 4.21Å; F30-Y34 WeakPolarHBondContact O-CB 3.29Å; F30-Y34 WeakPolarHBondContact O-CD2 3.36Å; F30-Y34 PolarHBondContact O-N 2.94Å; F30-Y34 VanDerWaalsContact O-N 3.11Å; Y34-V36 PolarHBondContact O-N 3.26Å
35G81Confident84.9Confident46 Ų4659.9 Ų59.947%0.47435%0.345SS..THydrogen-bonded Turntrans65.220-177.600000114.3I7 S31 D32I7-G35 WeakPolarHBondContact CD1-O 3.38Å; S31-G35 CarbonylContact O-C 3.48Å; S31-G35 WeakPolarHBondContact O-CA 3.41Å; S31-G35 PolarHBondContact O-N 3.45Å; D32-G35 PolarHBondContact O-N 3.42Å
36V83.2Confident85.1Confident5 Ų565.2 Ų65.23%0.0336%0.364CS..  trans-94.5149.4-178.1-62.70000111.1I7 L9 S31 Y34 M40 I41I7-V36 HydrophobicContact CB-CG1 4Å; I7-V36 HydrophobicContact CG2-CG1 3.69Å; L9-V36 HydrophobicContact CD1-CG1 4.4Å; L9-V36 HydrophobicContact CD1-CG2 4.33Å; L9-V36 HydrophobicContact CD2-CG1 3.98Å; L9-V36 HydrophobicContact CG-CG1 3.96Å; S31-V36 WeakPolarHBondContact CA-O 3.35Å; S31-V36 PolarHBondContact O-N 3.5Å; S31-V36 VanDerWaalsContact O-N 3.13Å; S31-V36 PolarHBondContact OG-O 2.64Å; Y34-V36 PolarHBondContact O-N 3.26Å; V36-M40 HydrophobicContact CB-CB 4.21Å; V36-M40 HydrophobicContact CB-CG 4.42Å; V36-M40 HydrophobicContact CB-SD 3.89Å; V36-M40 HydrophobicContact CG1-SD 3.62Å; V36-I41 HydrophobicContact CG2-CD1 3.56Å; V36-I41 HydrophobicContact CG2-CG1 3.98Å
37G81.4Confident85.2Confident42 Ų4264.3 Ų64.343%0.43335%0.352SS..  trans-66149.4174.500000111.8S39 M40G37-S39 PolarHBondContact O-N 3.02Å; G37-S39 VanDerWaalsContact O-N 3.07Å; G37-M40 WeakPolarHBondContact O-CB 3.03Å; G37-M40 PolarHBondContact O-N 3.42Å
38R83.5Confident85.6Confident169 Ų16964.2 Ų64.264%0.63835%0.349SS*.Hα-helixtrans-51-33.7175.8-65.8-179.4-174.3170.92.1113.1Q28 S31 M40 I41 C42Q28-R38 VanDerWaalsContact OE1-NH2 3.1Å; S31-R38 PolarHBondContact OG-N 3.43Å; R38-M40 VanDerWaalsContact C-N 3.3Å; R38-M40 PolarHBondContact O-N 3.48Å; R38-I41 PolarHBondContact O-N 3.23Å; R38-C42 PolarHBondContact O-N 3.15Å; R38-C42 PolarHBondContact O-SG 3.21Å
39S84.1Confident85.9Confident84 Ų8465 Ų6559%0.58737%0.367SS*.Hα-helixtrans-58.8-38.6175.554.40000113G37 C42 D43G37-S39 PolarHBondContact O-N 3.02Å; G37-S39 VanDerWaalsContact O-N 3.07Å; S39-C42 WeakPolarHBondContact O-CB 3.3Å; S39-C42 PolarHBondContact O-N 3.09Å; S39-D43 VanDerWaalsContact O-CG 3.29Å; S39-D43 PolarHBondContact O-N 3.5Å
40M84.6Confident86Confident33 Ų3370 Ų7016%0.16338%0.378CS..Hα-helixtrans-66.5-40.7177.9-176.7168.1-63.700111.6I7 L9 V36 G37 R38 C42 D43 V44I7-M40 WeakPolarHBondContact O-CE 3.43Å; L9-M40 HydrophobicContact CB-SD 4.49Å; L9-M40 HydrophobicContact CD1-CG 4.01Å; L9-M40 HydrophobicContact CD1-SD 3.87Å; L9-M40 HydrophobicContact CG-SD 3.84Å; V36-M40 HydrophobicContact CB-CB 4.21Å; V36-M40 HydrophobicContact CB-CG 4.42Å; V36-M40 HydrophobicContact CB-SD 3.89Å; V36-M40 HydrophobicContact CG1-SD 3.62Å; G37-M40 WeakPolarHBondContact O-CB 3.03Å; G37-M40 PolarHBondContact O-N 3.42Å; R38-M40 VanDerWaalsContact C-N 3.3Å; R38-M40 PolarHBondContact O-N 3.48Å; M40-C42 VanDerWaalsContact C-N 3.31Å; M40-C42 PolarHBondContact O-N 3.28Å; M40-D43 PolarHBondContact O-N 3.48Å; M40-V44 VanDerWaalsContact O-CG2 3.26Å; M40-V44 WeakPolarHBondContact O-CG2 3.49Å; M40-V44 PolarHBondContact O-N 3.03Å
41I89.3Confident86.1Confident9 Ų969.4 Ų69.45%0.04638%0.375CS..Hα-helixtrans-63.7-40.9175.1-56-57.9000110.2L9 I17 L21 F30 V36 R38 V44 R45L9-I41 HydrophobicContact CD1-CD1 4.31Å; I17-I41 HydrophobicContact CD1-CD1 3.89Å; I17-I41 HydrophobicContact CG2-CD1 4.39Å; I17-I41 HydrophobicContact CG2-CG2 4.37Å; L21-I41 HydrophobicContact CD1-CG2 4.36Å; F30-I41 HydrophobicContact CB-CD1 3.68Å; F30-I41 HydrophobicContact CB-CG1 4.34Å; V36-I41 HydrophobicContact CG2-CD1 3.56Å; V36-I41 HydrophobicContact CG2-CG1 3.98Å; R38-I41 PolarHBondContact O-N 3.23Å; I41-V44 PolarHBondContact O-N 3.25Å; I41-R45 WeakPolarHBondContact O-CB 3.29Å; I41-R45 PolarHBondContact O-N 3.2Å
42C87.2Confident86.4Confident70 Ų7071 Ų7147%0.47338%0.382SS..Hα-helixtrans-61.3-41.7172.4-71.50000112.6R38 S39 M40 R45 K46R38-C42 PolarHBondContact O-N 3.15Å; R38-C42 PolarHBondContact O-SG 3.21Å; S39-C42 WeakPolarHBondContact O-CB 3.3Å; S39-C42 PolarHBondContact O-N 3.09Å; M40-C42 VanDerWaalsContact C-N 3.31Å; M40-C42 PolarHBondContact O-N 3.28Å; C42-R45 WeakPolarHBondContact O-CB 3.42Å; C42-R45 PolarHBondContact O-N 2.86Å; C42-K46 WeakPolarHBondContact O-CG 3.37Å; C42-K46 PolarHBondContact O-N 3.23Å
43D86.6Confident86.5Confident83 Ų8371.1 Ų71.144%0.44438%0.38SS..Hα-helixtrans-68-38.4178.4-71-20.9000112.3S39 M40 R45 K46 N47S39-D43 VanDerWaalsContact O-CG 3.29Å; S39-D43 PolarHBondContact O-N 3.5Å; M40-D43 PolarHBondContact O-N 3.48Å; D43-R45 VanDerWaalsContact C-N 3.34Å; D43-K46 PolarHBondContact O-N 2.72Å; D43-N47 WeakPolarHBondContact O-CB 3.2Å; D43-N47 PolarHBondContact O-N 3.27Å; D43-N47 PolarHBondContact O-ND2 3.13Å
44V89.7Confident86.5Confident5 Ų569.1 Ų69.13%0.0336%0.36CS..Hα-helixtrans-62.8-42.7172.5170.70000110.5L9 K14 I17 I18 M40 I41 N47 A48 I51L9-V44 HydrophobicContact CD1-CG2 4.16Å; K14-V44 HydrophobicContact CB-CG1 4Å; K14-V44 HydrophobicContact CB-CG2 4.34Å; K14-V44 HydrophobicContact CD-CG2 4.22Å; K14-V44 HydrophobicContact CG-CG1 4.28Å; K14-V44 HydrophobicContact CG-CG2 3.7Å; I17-V44 HydrophobicContact CB-CG1 4.33Å; I17-V44 HydrophobicContact CG2-CG1 4.01Å; I18-V44 HydrophobicContact CD1-CG1 4.13Å; I18-V44 HydrophobicContact CG1-CG1 3.81Å; M40-V44 VanDerWaalsContact O-CG2 3.26Å; M40-V44 WeakPolarHBondContact O-CG2 3.49Å; M40-V44 PolarHBondContact O-N 3.03Å; I41-V44 PolarHBondContact O-N 3.25Å; V44-N47 PolarHBondContact O-N 3.37Å; V44-A48 PolarHBondContact O-N 3.18Å; V44-A48 VanDerWaalsContact O-N 3.16Å; V44-I51 HydrophobicContact CG1-CD1 4.29Å
45R90.7Very high86.5Confident180 Ų18069.1 Ų69.168%0.67937%0.366SS*.Hα-helixtrans-63-43.8174.9-175.7177.5176.6162.50.2112L21 I41 C42 D43 A48L21-R45 HydrophobicContact CD1-CB 4.17Å; L21-R45 HydrophobicContact CD1-CG 4.48Å; I41-R45 WeakPolarHBondContact O-CB 3.29Å; I41-R45 PolarHBondContact O-N 3.2Å; C42-R45 WeakPolarHBondContact O-CB 3.42Å; C42-R45 PolarHBondContact O-N 2.86Å; D43-R45 VanDerWaalsContact C-N 3.34Å; R45-A48 WeakPolarHBondContact O-CB 3.49Å; R45-A48 PolarHBondContact O-N 3.23Å
46K90.3Very high86.5Confident172 Ų17274.7 Ų74.775%0.74838%0.377SS*.Hα-helixtrans-64.8-37178.5-76.1177.5179.3-178.40112.8C42 D43C42-K46 WeakPolarHBondContact O-CG 3.37Å; C42-K46 PolarHBondContact O-N 3.23Å; D43-K46 PolarHBondContact O-N 2.72Å
47N89.5Confident86.1Confident58 Ų5880 Ų8031%0.3140%0.399SS..THydrogen-bonded Turntrans-95.715.9-178.9-67.1-73.6000113.5D43 V44 A49 R50 I51D43-N47 WeakPolarHBondContact O-CB 3.2Å; D43-N47 PolarHBondContact O-N 3.27Å; D43-N47 PolarHBondContact O-ND2 3.13Å; V44-N47 PolarHBondContact O-N 3.37Å; N47-A49 VanDerWaalsContact C-N 3.3Å; N47-A49 PolarHBondContact O-N 3.19Å; N47-R50 PolarHBondContact O-N 3.19Å; N47-R50 VanDerWaalsContact O-N 3.16Å; N47-I51 HydrophobicContact CB-CD1 3.94Å; N47-I51 HydrophobicContact CB-CG1 4.31Å; N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.49Å
48A90.8Very high85.5Confident21 Ų2179.2 Ų79.217%0.17439%0.385CS..Hα-helixtrans-56.2-40.4-170.700000113.7I18 V44 R45 L52I18-A48 HydrophobicContact CD1-CB 3.98Å; I18-A48 HydrophobicContact CG1-CB 3.93Å; I18-A48 HydrophobicContact CG2-CB 4.02Å; V44-A48 PolarHBondContact O-N 3.18Å; V44-A48 VanDerWaalsContact O-N 3.16Å; R45-A48 WeakPolarHBondContact O-CB 3.49Å; R45-A48 PolarHBondContact O-N 3.23Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.28Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 2.95Å
49A88.6Confident84.3Confident78 Ų7874.4 Ų74.465%0.64539%0.388SS*.Hα-helixtrans-61.9-50.3177.800000112N47 I51 L52 E53N47-A49 VanDerWaalsContact C-N 3.3Å; N47-A49 PolarHBondContact O-N 3.19Å; A49-I51 PolarHBondContact O-N 3.32Å; A49-L52 PolarHBondContact O-N 2.95Å; A49-E53 PolarHBondContact O-N 3.25Å
50R86.8Confident83Confident155 Ų15578.6 Ų78.659%0.58540%0.398SS*.Hα-helixtrans-62.7-40179.1-70177.262.5-173.23.3112.6N47 Y54 M70N47-R50 PolarHBondContact O-N 3.19Å; N47-R50 VanDerWaalsContact O-N 3.16Å; R50-Y54 VanDerWaalsContact O-CB 3.26Å; R50-Y54 WeakPolarHBondContact O-CB 3.37Å; R50-Y54 PolarHBondContact O-N 2.9Å; R50-M70 HydrophobicContact CB-CE 4.35Å; R50-M70 HydrophobicContact CB-SD 4.34Å
51I88.6Confident81.4Confident4 Ų483.5 Ų83.52%0.02142%0.421CS..Hα-helixtrans-66.3-42178.6-66.5163.7000110.7I11 K14 V15 I18 V44 N47 A49 S55 M70I11-I51 HydrophobicContact CG2-CG2 4.44Å; K14-I51 HydrophobicContact CB-CD1 4.26Å; K14-I51 HydrophobicContact CB-CG2 3.92Å; K14-I51 HydrophobicContact CD-CD1 4.14Å; V15-I51 HydrophobicContact CG2-CG2 3.96Å; I18-I51 HydrophobicContact CD1-CB 3.78Å; I18-I51 HydrophobicContact CD1-CD1 4.05Å; I18-I51 HydrophobicContact CD1-CG2 3.64Å; V44-I51 HydrophobicContact CG1-CD1 4.29Å; N47-I51 HydrophobicContact CB-CD1 3.94Å; N47-I51 HydrophobicContact CB-CG1 4.31Å; N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.49Å; A49-I51 PolarHBondContact O-N 3.32Å; I51-S55 VanDerWaalsContact O-CB 3.29Å; I51-S55 WeakPolarHBondContact O-CB 3.26Å; I51-S55 PolarHBondContact O-N 3.16Å; I51-M70 HydrophobicContact CB-SD 4.29Å; I51-M70 HydrophobicContact CG1-CE 4.07Å; I51-M70 HydrophobicContact CG1-SD 3.69Å
52L89Confident79.5Confident45 Ų4587.1 Ų87.124%0.23646%0.46CS..Hα-helixtrans-67.9-39.8177.1-72.6171.3000112.3V15 I18 A48 A49 K56V15-L52 HydrophobicContact CG1-CD2 4.3Å; V15-L52 HydrophobicContact CG2-CD2 4.46Å; I18-L52 HydrophobicContact CG2-CD1 3.93Å; I18-L52 HydrophobicContact CG2-CD2 4.36Å; I18-L52 HydrophobicContact CG2-CG 4.21Å; A48-L52 WeakPolarHBondContact O-CB 3.41Å; A48-L52 VanDerWaalsContact O-CG 3.28Å; A48-L52 WeakPolarHBondContact O-CG 3.26Å; A48-L52 PolarHBondContact O-N 2.95Å; A49-L52 PolarHBondContact O-N 2.95Å; L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 2.96Å; L52-K56 VanDerWaalsContact O-N 3.11Å
53E85.3Confident77.7Confident112 Ų11287.4 Ų87.452%0.52346%0.457SS..Hα-helixtrans-64.6-45.8175.6-171.3-174.7167.300111.5A49 S55 K56 K57A49-E53 PolarHBondContact O-N 3.25Å; E53-S55 PolarHBondContact O-N 2.9Å; E53-K56 WeakPolarHBondContact O-CB 3.39Å; E53-K56 PolarHBondContact O-N 2.98Å; E53-K57 PolarHBondContact O-N 3.22Å; E53-K57 IonicContact OE1-NZ 3.79Å
54Y82.9Confident76.2Confident39 Ų3985.8 Ų85.815%0.15345%0.452CS..Hα-helixtrans-61.8-44.2176.6-175.1-96.1000112.3I11 R50 K56 K57 Q58 R67 M70I11-Y54 HydrophobicContact CD1-CD1 4.3Å; I11-Y54 HydrophobicContact CG1-CD1 4.19Å; I11-Y54 HydrophobicContact CG1-CE1 4.13Å; I11-Y54 HydrophobicContact CG2-CD1 4.18Å; R50-Y54 VanDerWaalsContact O-CB 3.26Å; R50-Y54 WeakPolarHBondContact O-CB 3.37Å; R50-Y54 PolarHBondContact O-N 2.9Å; Y54-K56 PolarHBondContact O-N 2.89Å; Y54-K57 PolarHBondContact O-N 2.84Å; Y54-Q58 HydrophobicContact CE1-CG 4.39Å; Y54-Q58 PolarHBondContact O-N 3.39Å; Y54-R67 WeakPolarHBondContact OH-CD 3.22Å; Y54-R67 PolarHBondContact OH-NE 3.07Å; Y54-R67 PolarHBondContact OH-NH2 3Å; Y54-R67 VanDerWaalsContact OH-NH2 3.15Å; Y54-M70 HydrophobicContact CD1-CB 4.13Å; Y54-M70 HydrophobicContact CD1-CG 3.74Å; Y54-M70 HydrophobicContact CD2-CB 3.78Å; Y54-M70 HydrophobicContact CD2-CG 4.19Å; Y54-M70 HydrophobicContact CE1-CB 4.39Å; Y54-M70 HydrophobicContact CE1-CG 4.29Å; Y54-M70 HydrophobicContact CE2-CB 4.08Å; Y54-M70 HydrophobicContact CG-CB 3.82Å; Y54-M70 HydrophobicContact CG-CG 3.69Å; Y54-M70 HydrophobicContact CG-SD 4.32Å
55S83.8Confident74.7Confident41 Ų4188.7 Ų88.729%0.28747%0.473SS..Hα-helixtrans-64.6-26.1176.9-179.90000113.2I51 E53 G59I51-S55 VanDerWaalsContact O-CB 3.29Å; I51-S55 WeakPolarHBondContact O-CB 3.26Å; I51-S55 PolarHBondContact O-N 3.16Å; E53-S55 PolarHBondContact O-N 2.9Å; S55-G59 PolarHBondContact O-N 3.1Å
56K81.7Confident73.6Confident163 Ų16386 Ų8671%0.70947%0.468SS*.Hα-helixtrans-71.6-45.7172.6-77.6-178.7176.5-169.30111.3L52 E53 Y54 Q58 G59L52-K56 WeakPolarHBondContact O-CG 3.47Å; L52-K56 PolarHBondContact O-N 2.96Å; L52-K56 VanDerWaalsContact O-N 3.11Å; E53-K56 WeakPolarHBondContact O-CB 3.39Å; E53-K56 PolarHBondContact O-N 2.98Å; Y54-K56 PolarHBondContact O-N 2.89Å; K56-Q58 PolarHBondContact O-N 3.27Å; K56-G59 PolarHBondContact O-N 3.35Å
57K74.1Confident72.5Confident116 Ų11681.6 Ų81.650%0.50445%0.447SS..Hα-helixtrans-61.8-41.3177.3-65.7-174.9-179.1-175.70112.4E53 Y54 G59 E60E53-K57 PolarHBondContact O-N 3.22Å; E53-K57 IonicContact OE1-NZ 3.79Å; Y54-K57 PolarHBondContact O-N 2.84Å; K57-G59 PolarHBondContact O-N 3.15Å; K57-E60 PolarHBondContact O-N 2.82Å; K57-E60 VanDerWaalsContact O-N 3.09Å
58Q68Low71.7Confident26 Ų2683.5 Ų83.512%0.12145%0.452CS..Hα-helixtrans-65-27.3177.8-122.5-157.5-23.400113.8Y54 K56 E60 E61 D63Y54-Q58 HydrophobicContact CE1-CG 4.39Å; Y54-Q58 PolarHBondContact O-N 3.39Å; K56-Q58 PolarHBondContact O-N 3.27Å; Q58-E60 PolarHBondContact O-N 3.25Å; Q58-E61 PolarHBondContact O-N 3.14Å; Q58-D63 HydrophobicContact CG-CB 4.46Å; Q58-D63 PolarHBondContact NE2-OD2 2.76Å
59G58.5Low70.5Confident69 Ų6987.7 Ų87.771%0.71147%0.471SS*.THydrogen-bonded Turntrans-66.6-15175.500000113.6S55 K56 K57S55-G59 PolarHBondContact O-N 3.1Å; K56-G59 PolarHBondContact O-N 3.35Å; K57-G59 PolarHBondContact O-N 3.15Å
60E57.6Low69.3Low172 Ų17286.5 Ų86.580%0.80445%0.453SS*.THydrogen-bonded Turntrans-96.4-18.6177-64.1170178.100111.9K57 Q58K57-E60 PolarHBondContact O-N 2.82Å; K57-E60 VanDerWaalsContact O-N 3.09Å; Q58-E60 PolarHBondContact O-N 3.25Å
61E51.4Low67.9Low136 Ų13689.4 Ų89.464%0.63646%0.464SS*.THydrogen-bonded Turntrans-111.611.1-169.9-73.5173.3177.100115.4Q58 D63Q58-E61 PolarHBondContact O-N 3.14Å; E61-D63 PolarHBondContact O-N 3.27Å
62G49.2Very low66Low84 Ų8491.8 Ų91.887%0.86649%0.49SS*.THydrogen-bonded Turntrans68.722.1164.900000117.4
63D49.5Very low63.9Low76 Ų7692.4 Ų92.441%0.40650%0.498SS..  trans-110.8151.7-167.4-176.138000115.7Q58 E61 R67Q58-D63 HydrophobicContact CG-CB 4.46Å; Q58-D63 PolarHBondContact NE2-OD2 2.76Å; E61-D63 PolarHBondContact O-N 3.27Å; D63-R67 IonicContact OD2-CZ 3.78Å; D63-R67 IonicContact OD2-NH1 2.77Å; D63-R67 PolarHBondContact OD2-NH1 2.63Å
64S53.6Low61.8Low50 Ų5096.9 Ų96.935%0.3552%0.516SS..  trans-45.5135.4-164168.50000119E66 R67S64-E66 PolarHBondContact O-N 2.85Å; S64-E66 VanDerWaalsContact O-N 3.1Å; S64-E66 PolarHBondContact OG-N 2.84Å; S64-E66 VanDerWaalsContact OG-N 3.14Å; S64-R67 PolarHBondContact O-N 3.39Å
65S58.9Low60.4Low66 Ų6699.3 Ų99.346%0.46253%0.531SS..THydrogen-bonded Turntrans-58.7-15.4171.656.20000114.9E12E12-S65 VanDerWaalsContact OE1-CA 3.3Å; E12-S65 WeakPolarHBondContact OE1-CA 3.42Å; E12-S65 WeakPolarHBondContact OE1-CB 3.47Å; E12-S65 WeakPolarHBondContact OE2-CB 3.41Å
66E66.6Low58.5Low123 Ų123103 Ų10358%0.57554%0.544SS*.THydrogen-bonded Turntrans-89-4.5-179.1-60.7-154.6154.200114.4S64 K68S64-E66 PolarHBondContact O-N 2.85Å; S64-E66 VanDerWaalsContact O-N 3.1Å; S64-E66 PolarHBondContact OG-N 2.84Å; S64-E66 VanDerWaalsContact OG-N 3.14Å; E66-K68 PolarHBondContact O-N 3.44Å
67R68.5Low56.8Low80 Ų80103.2 Ų103.230%0.30255%0.548SS..  trans-60.7130.3-175.2-161.4163.4-172.7155.5-9.4111.1T10 I11 Y54 D63 S64 R71T10-R67 CarbonylContact C-O 3.58Å; T10-R67 VanDerWaalsContact CA-O 3.3Å; T10-R67 WeakPolarHBondContact CA-O 3.43Å; I11-R67 WeakPolarHBondContact CG1-O 3.3Å; I11-R67 PolarHBondContact N-O 3.39Å; Y54-R67 WeakPolarHBondContact OH-CD 3.22Å; Y54-R67 PolarHBondContact OH-NE 3.07Å; Y54-R67 PolarHBondContact OH-NH2 3Å; Y54-R67 VanDerWaalsContact OH-NH2 3.15Å; D63-R67 IonicContact OD2-CZ 3.78Å; D63-R67 IonicContact OD2-NH1 2.77Å; D63-R67 PolarHBondContact OD2-NH1 2.63Å; S64-R67 PolarHBondContact O-N 3.39Å; R67-R71 PolarHBondContact NH2-O 3.41Å
68K72.3Confident55.6Low98 Ų98102.4 Ų102.443%0.42655%0.548SS..  trans-110-19.2-176.4-72.7167.2-175.2165.50114.3T8 T10 K14 E66T8-K68 HydrophobicContact CG2-CB 4.12Å; T8-K68 HydrophobicContact CG2-CD 4.43Å; T8-K68 HydrophobicContact CG2-CG 4.46Å; T8-K68 WeakPolarHBondContact O-CE 2.94Å; T10-K68 HydrophobicContact CG2-CG 3.97Å; K14-K68 PolarHBondContact NZ-O 3.24Å; E66-K68 PolarHBondContact O-N 3.44Å
69N65.9Low54.5Low108 Ų108107 Ų10758%0.57857%0.571SS**  trans-126.9145.1-172.9-67-30.4000111.6R71N69-R71 PolarHBondContact O-N 3.32Å
70M64Low54Low54 Ų54110.1 Ų110.127%0.26657%0.567SS.*  trans-92.631.7-177.4-56.3177.1-69.400113.6I11 R50 I51 Y54I11-M70 HydrophobicContact CD1-CG 3.59Å; R50-M70 HydrophobicContact CB-CE 4.35Å; R50-M70 HydrophobicContact CB-SD 4.34Å; I51-M70 HydrophobicContact CB-SD 4.29Å; I51-M70 HydrophobicContact CG1-CE 4.07Å; I51-M70 HydrophobicContact CG1-SD 3.69Å; Y54-M70 HydrophobicContact CD1-CB 4.13Å; Y54-M70 HydrophobicContact CD1-CG 3.74Å; Y54-M70 HydrophobicContact CD2-CB 3.78Å; Y54-M70 HydrophobicContact CD2-CG 4.19Å; Y54-M70 HydrophobicContact CE1-CB 4.39Å; Y54-M70 HydrophobicContact CE1-CG 4.29Å; Y54-M70 HydrophobicContact CE2-CB 4.08Å; Y54-M70 HydrophobicContact CG-CB 3.82Å; Y54-M70 HydrophobicContact CG-CG 3.69Å; Y54-M70 HydrophobicContact CG-SD 4.32Å
71R57Low53.9Low215 Ų215104.7 Ų104.781%0.81155%0.552SS**PPolyproline II helixtrans-86.2124.1177.8-78.8-172.8179.8-172-0.5109.5R67 N69R67-R71 PolarHBondContact NH2-O 3.41Å; N69-R71 PolarHBondContact O-N 3.32Å
72G49Very low53.7Low55 Ų55102.3 Ų102.357%0.56755%0.546SS*.PPolyproline II helixtrans-88.7163.2164.600000111.6
73S44.1Very low53.9Low57 Ų57105.2 Ų105.240%0.39953%0.532SS..PPolyproline II helixtrans-61.9136.2168.4165.90000109.2N75 E76S73-N75 PolarHBondContact OG-N 2.68Å; S73-N75 VanDerWaalsContact OG-N 3.12Å; S73-E76 PolarHBondContact OG-N 2.89Å; S73-E76 VanDerWaalsContact OG-N 3.14Å
74K41.4Very low54.3Low207 Ų207104.5 Ų104.590%0.953%0.53SS*.SBendtrans-78.7-8.5173-79.8-171.8174.6-1730113
75N52.9Low54.8Low89 Ų89107.7 Ų107.748%0.47654%0.535SS..  trans-139.533.3-166.5-74.4-11.9000111.7S73 E77 I78 M79S73-N75 PolarHBondContact OG-N 2.68Å; S73-N75 VanDerWaalsContact OG-N 3.12Å; N75-E77 PolarHBondContact O-N 3.35Å; N75-I78 HydrophobicContact CB-CB 4.18Å; N75-I78 HydrophobicContact CB-CD1 4.29Å; N75-I78 PolarHBondContact O-N 3.14Å; N75-I78 VanDerWaalsContact O-N 3.14Å; N75-M79 WeakPolarHBondContact O-CG 3.23Å; N75-M79 PolarHBondContact O-N 3.12Å
76E44.1Very low54.3Low118 Ų118108.9 Ų108.955%0.55153%0.532SS*.Hα-helixtrans-60.7-43.5-176.9-146.9138.9-143.800111.4S73 I78 M79 E80S73-E76 PolarHBondContact OG-N 2.89Å; S73-E76 VanDerWaalsContact OG-N 3.14Å; E76-I78 VanDerWaalsContact C-N 3.31Å; E76-I78 PolarHBondContact O-N 3.46Å; E76-M79 PolarHBondContact O-N 3.3Å; E76-E80 WeakPolarHBondContact O-CB 3.47Å; E76-E80 PolarHBondContact O-N 3.32Å
77E47Very low53.9Low169 Ų169106.8 Ų106.879%0.7952%0.524SS*.Hα-helixtrans-61.5-35.5173.8-65.5176.9178.800112.9N75 A81N75-E77 PolarHBondContact O-N 3.35Å; E77-A81 VanDerWaalsContact O-CB 3.29Å; E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.02Å
78I49Very low54Low98 Ų98108.9 Ų108.950%0.50354%0.537SS..Hα-helixtrans-74.4-40.8179.9-62176.7000110.1N75 E76 E80 A81 V82N75-I78 HydrophobicContact CB-CB 4.18Å; N75-I78 HydrophobicContact CB-CD1 4.29Å; N75-I78 PolarHBondContact O-N 3.14Å; N75-I78 VanDerWaalsContact O-N 3.14Å; E76-I78 VanDerWaalsContact C-N 3.31Å; E76-I78 PolarHBondContact O-N 3.46Å; I78-E80 VanDerWaalsContact C-N 3.34Å; I78-A81 PolarHBondContact O-N 3.33Å; I78-V82 HydrophobicContact CG2-CG2 4.31Å; I78-V82 WeakPolarHBondContact O-CB 3.29Å; I78-V82 VanDerWaalsContact O-CG2 3.25Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.01Å
79M44.8Very low53.1Low123 Ų123106 Ų10661%0.60653%0.527SS*.Hα-helixtrans-65.5-40.2176.5-68.3-119.5-68.200111.2N75 E76 Y83N75-M79 WeakPolarHBondContact O-CG 3.23Å; N75-M79 PolarHBondContact O-N 3.12Å; E76-M79 PolarHBondContact O-N 3.3Å; M79-Y83 WeakPolarHBondContact O-CB 3.34Å; M79-Y83 PolarHBondContact O-N 3.31Å
80E47.9Very low52.4Low134 Ų134109.5 Ų109.563%0.62653%0.532SS*.Hα-helixtrans-65.1-42.2174.2-171.3171.9-172.600111.9E76 I78 Y83 T84E76-E80 WeakPolarHBondContact O-CB 3.47Å; E76-E80 PolarHBondContact O-N 3.32Å; I78-E80 VanDerWaalsContact C-N 3.34Å; E80-Y83 PolarHBondContact O-N 2.55Å; E80-T84 VanDerWaalsContact O-CB 3.26Å; E80-T84 WeakPolarHBondContact O-CB 3.48Å; E80-T84 PolarHBondContact O-N 3.42Å; E80-T84 PolarHBondContact O-OG1 2.86Å
81A54.5Low52.6Low59 Ų59111.3 Ų111.349%0.48856%0.555SS.*Hα-helixtrans-64.4-45.2176.400000112.7E77 I78 T84 W85E77-A81 VanDerWaalsContact O-CB 3.29Å; E77-A81 WeakPolarHBondContact O-CB 3.25Å; E77-A81 PolarHBondContact O-N 3.02Å; I78-A81 PolarHBondContact O-N 3.33Å; A81-T84 PolarHBondContact O-N 2.93Å; A81-W85 WeakPolarHBondContact O-CB 3.4Å; A81-W85 PolarHBondContact O-N 3.49Å
82V46.7Very low53.2Low86 Ų86104.5 Ų104.552%0.52155%0.545SS..Hα-helixtrans-65-42.1177.9171.80000110.9I78 F86I78-V82 HydrophobicContact CG2-CG2 4.31Å; I78-V82 WeakPolarHBondContact O-CB 3.29Å; I78-V82 VanDerWaalsContact O-CG2 3.25Å; I78-V82 WeakPolarHBondContact O-CG2 3.48Å; I78-V82 PolarHBondContact O-N 3.01Å; V82-F86 WeakPolarHBondContact O-CB 3.2Å; V82-F86 PolarHBondContact O-N 2.9Å
83Y54.6Low53.2Low145 Ų145105 Ų10557%0.56955%0.55SS**Hα-helixtrans-67-41.3177.2-174.3-112.7000112.2M79 E80 F86 L87M79-Y83 WeakPolarHBondContact O-CB 3.34Å; M79-Y83 PolarHBondContact O-N 3.31Å; E80-Y83 PolarHBondContact O-N 2.55Å; Y83-F86 WeakPolarHBondContact O-CB 3.42Å; Y83-F86 PolarHBondContact O-N 2.67Å; Y83-L87 HydrophobicContact CD1-CD1 4.03Å; Y83-L87 HydrophobicContact CE1-CD1 3.56Å; Y83-L87 HydrophobicContact CE1-CG 4.28Å; Y83-L87 WeakPolarHBondContact O-CG 2.91Å; Y83-L87 PolarHBondContact O-N 3.43Å
84T58.1Low53.3Low60 Ų60105 Ų10537%0.36855%0.548SS..Hα-helixtrans-64-44176.3-57.20000111.4E80 A81 L87 Q88E80-T84 VanDerWaalsContact O-CB 3.26Å; E80-T84 WeakPolarHBondContact O-CB 3.48Å; E80-T84 PolarHBondContact O-N 3.42Å; E80-T84 PolarHBondContact O-OG1 2.86Å; A81-T84 PolarHBondContact O-N 2.93Å; T84-L87 PolarHBondContact O-N 2.7Å; T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.42Å
85W62.8Low53.6Low117 Ų11799.3 Ų99.344%0.44353%0.532SS..Hα-helixtrans-62.3-41.1174.5174.385000112.1A81 L87 Q88 N89 N99A81-W85 WeakPolarHBondContact O-CB 3.4Å; A81-W85 PolarHBondContact O-N 3.49Å; W85-L87 PolarHBondContact O-N 2.94Å; W85-Q88 PolarHBondContact O-N 2.95Å; W85-N89 VanDerWaalsContact CD2-ND2 3.32Å; W85-N89 WeakPolarHBondContact CZ2-ND2 2.82Å; W85-N89 PolarHBondContact NE1-ND2 2.79Å; W85-N89 PolarHBondContact O-N 2.96Å; W85-N89 PolarHBondContact O-ND2 2.65Å; W85-N99 HydrophobicContact CH2-CB 4.48Å
86F49.1Very low53.4Low92 Ų92102.6 Ų102.640%0.40454%0.544SS..Hα-helixtrans-59.5-45.9174.9172.7-99.3000111.9V82 Y83 Q88 N89 R90V82-F86 WeakPolarHBondContact O-CB 3.2Å; V82-F86 PolarHBondContact O-N 2.9Å; Y83-F86 WeakPolarHBondContact O-CB 3.42Å; Y83-F86 PolarHBondContact O-N 2.67Å; F86-Q88 PolarHBondContact O-N 3.37Å; F86-N89 PolarHBondContact O-N 3.06Å; F86-R90 WeakPolarHBondContact O-CB 3.26Å; F86-R90 PolarHBondContact O-N 2.93Å
87L59.2Low53.6Low79 Ų79105.3 Ų105.341%0.41456%0.557SS.*Hα-helixtrans-65-37.8177.8-69178.4000112.6Y83 T84 W85 A91Y83-L87 HydrophobicContact CD1-CD1 4.03Å; Y83-L87 HydrophobicContact CE1-CD1 3.56Å; Y83-L87 HydrophobicContact CE1-CG 4.28Å; Y83-L87 WeakPolarHBondContact O-CG 2.91Å; Y83-L87 PolarHBondContact O-N 3.43Å; T84-L87 PolarHBondContact O-N 2.7Å; W85-L87 PolarHBondContact O-N 2.94Å; L87-A91 WeakPolarHBondContact O-CB 3.34Å; L87-A91 PolarHBondContact O-N 3.13Å
88Q69.3Low53.4Low124 Ų124103.5 Ų103.558%0.57955%0.549SS*.Hα-helixtrans-64.6-43.5176.7-73.8173.8-6.600112.4T84 W85 F86 A91 A92T84-Q88 WeakPolarHBondContact O-CG 3.28Å; T84-Q88 PolarHBondContact O-N 3.42Å; W85-Q88 PolarHBondContact O-N 2.95Å; F86-Q88 PolarHBondContact O-N 3.37Å; Q88-A91 PolarHBondContact O-N 3.17Å; Q88-A92 PolarHBondContact O-N 3.03Å; Q88-A92 VanDerWaalsContact O-N 3.13Å
89N53.6Low53Low38 Ų38100.5 Ų100.520%0.20353%0.533CS..Hα-helixtrans-71.8-34.5178.6-71.4-63000112.8W85 F86 A91 A92 G93W85-N89 VanDerWaalsContact CD2-ND2 3.32Å; W85-N89 WeakPolarHBondContact CZ2-ND2 2.82Å; W85-N89 PolarHBondContact NE1-ND2 2.79Å; W85-N89 PolarHBondContact O-N 2.96Å; W85-N89 PolarHBondContact O-ND2 2.65Å; F86-N89 PolarHBondContact O-N 3.06Å; N89-A91 VanDerWaalsContact C-N 3.3Å; N89-A91 PolarHBondContact O-N 3.48Å; N89-A92 PolarHBondContact O-N 3.47Å; N89-A92 VanDerWaalsContact O-N 3.17Å; N89-G93 PolarHBondContact O-N 3.48Å
90R50.8Low52.9Low181 Ų18198.4 Ų98.468%0.68353%0.527SS*.Hα-helixtrans-62.4-38.4171.3-172.2-179.6171.8126.4-0.3111.6F86 A92 G93F86-R90 WeakPolarHBondContact O-CB 3.26Å; F86-R90 PolarHBondContact O-N 2.93Å; R90-A92 VanDerWaalsContact C-N 3.29Å; R90-A92 PolarHBondContact O-N 3.3Å; R90-G93 PolarHBondContact O-N 3.14Å
91A68.2Low52.7Low92 Ų9297.7 Ų97.776%0.7653%0.528SS*.Hα-helixtrans-69-25.5175.100000113.2L87 Q88 N89L87-A91 WeakPolarHBondContact O-CB 3.34Å; L87-A91 PolarHBondContact O-N 3.13Å; Q88-A91 PolarHBondContact O-N 3.17Å; N89-A91 VanDerWaalsContact C-N 3.3Å; N89-A91 PolarHBondContact O-N 3.48Å
92A70.9Confident52.1Low72 Ų72104.8 Ų104.860%0.59554%0.542SS*.Hα-helixtrans-87.1-5.7178.500000114.8Q88 N89 R90 V94Q88-A92 PolarHBondContact O-N 3.03Å; Q88-A92 VanDerWaalsContact O-N 3.13Å; N89-A92 PolarHBondContact O-N 3.47Å; N89-A92 VanDerWaalsContact O-N 3.17Å; R90-A92 VanDerWaalsContact C-N 3.29Å; R90-A92 PolarHBondContact O-N 3.3Å; A92-V94 HydrophobicContact CB-CG2 4.39Å
93G48Very low52Low66 Ų66105.6 Ų105.668%0.6854%0.542SS*.THydrogen-bonded Turntrans76.520.8173.600000116.1N89 R90N89-G93 PolarHBondContact O-N 3.48Å; R90-G93 PolarHBondContact O-N 3.14Å
94V46.2Very low51.4Low57 Ų57105 Ų10535%0.34554%0.54SS..  trans-80.6128-179-174.80000111A92A92-V94 HydrophobicContact CB-CG2 4.39Å
95P48.2Very low50.6Low86 Ų86108.7 Ų108.756%0.55856%0.557SS**  trans-61.5142.5178.7-20.631.6000114.1E97 E98P95-E97 VanDerWaalsContact C-N 3.3Å; P95-E97 PolarHBondContact O-N 3.04Å; P95-E98 PolarHBondContact O-N 3.01Å
96E48.2Very low49.5Very low158 Ų158112.1 Ų112.174%0.73858%0.578SS**THydrogen-bonded Turntrans-59.7-28.8-172.3-70.5179.3164.600114.8
97E48.6Very low49.3Very low175 Ų175116.6 Ų116.682%0.81860%0.6SS**THydrogen-bonded Turntrans-77.4-22.5-177.1-68.6-178.6167.100114.2P95P95-E97 VanDerWaalsContact C-N 3.3Å; P95-E97 PolarHBondContact O-N 3.04Å
98E42Very low48.7Very low132 Ų132119.1 Ų119.162%0.61762%0.619SS**THydrogen-bonded Turntrans-86.1-21.5-177.3-138.5172.4-165.800112.3P95 V100P95-E98 PolarHBondContact O-N 3.01Å; E98-V100 PolarHBondContact O-N 2.66Å
99N41.9Very low47.3Very low35 Ų35116.8 Ų116.819%0.18761%0.61CS.*THydrogen-bonded Turntrans-71.2-27.4-178.9-76.4-35.7000113.7W85W85-N99 HydrophobicContact CH2-CB 4.48Å
100V43Very low46.6Very low78 Ų78118.6 Ų118.647%0.47362%0.623SS.*THydrogen-bonded Turntrans-75.8-31-178.7-178.70000111.3E98 I103 Y104E98-V100 PolarHBondContact O-N 2.66Å; V100-I103 PolarHBondContact O-N 2.89Å; V100-Y104 HydrophobicContact CG1-CE2 4.11Å; V100-Y104 VanDerWaalsContact O-CD2 3.25Å; V100-Y104 WeakPolarHBondContact O-CD2 3.38Å; V100-Y104 VanDerWaalsContact O-CE2 3.31Å; V100-Y104 WeakPolarHBondContact O-CE2 3.47Å
101N42.5Very low46Very low119 Ų119113.7 Ų113.764%0.63662%0.622SS**G310 helixtrans-78.9-19.8-177.2-72.1-38.1000114.3I103N101-I103 VanDerWaalsContact C-N 3.35Å
102R43Very low44.4Very low209 Ų209115.8 Ų115.879%0.78962%0.615SS**G310 helixtrans-81.6-10.2173.7-79.7-178.278.1169.43.2114.2Y104R102-Y104 VanDerWaalsContact C-N 3.29Å
103I43.2Very low42.6Very low102 Ų102117.9 Ų117.952%0.52361%0.611SS.*G310 helixtrans-80.6-13.8178.2-62.9171.4000111.4V100 N101V100-I103 PolarHBondContact O-N 2.89Å; N101-I103 VanDerWaalsContact C-N 3.35Å
104Y42.9Very low41.8Very low134 Ų134121.7 Ų121.753%0.52561%0.609SS.*G310 helixtrans-88.14.9-177.7-67.5-74.1000115.4V100 R102V100-Y104 HydrophobicContact CG1-CE2 4.11Å; V100-Y104 VanDerWaalsContact O-CD2 3.25Å; V100-Y104 WeakPolarHBondContact O-CD2 3.38Å; V100-Y104 VanDerWaalsContact O-CE2 3.31Å; V100-Y104 WeakPolarHBondContact O-CE2 3.47Å; R102-Y104 VanDerWaalsContact C-N 3.29Å
105D42Very low41.1Very low137 Ų137128.3 Ų128.373%0.73363%0.628SS**SBendtrans-75.8124.6169.1-84-30000110.6E107D105-E107 PolarHBondContact O-N 3.07Å
106E39.7Very low40.3Very low189 Ų189126.9 Ų126.988%0.88362%0.617SS**THydrogen-bonded Turntrans-64.47.7-147-81.3-176.4137.100120.7
107E44.6Very low39.4Very low186 Ų186121.9 Ų121.987%0.86960%0.6SS**THydrogen-bonded Turntrans-108.3-1.2-165.1-76.1-168.8150.200118.6D105D105-E107 PolarHBondContact O-N 3.07Å
108V46.6Very low38.6Very low132 Ų132116 Ų11680%0.858%0.581SS**  trans-139.651.5-175-159.70000114.3
109I39.1Very low38.2Very low75 Ų75114 Ų11439%0.38558%0.578SS.*  trans-112111175.4-56.2-178.2000111.6F113I109-F113 HydrophobicContact CG2-CB 3.34Å; I109-F113 HydrophobicContact CG2-CD1 4.14Å; I109-F113 HydrophobicContact CG2-CG 3.95Å
110P39.8Very low37.7Very low75 Ų75114.4 Ų114.449%0.48758%0.58SS.*  trans-62148.1178.3-22.833.1000113.8H112 F113P110-H112 PolarHBondContact O-N 3.44Å; P110-F113 WeakPolarHBondContact O-CB 3.16Å; P110-F113 PolarHBondContact O-N 3.06Å
111A37Very low37.3Very low79 Ų79116.6 Ų116.665%0.65359%0.585SS**THydrogen-bonded Turntrans-56.6-14.2-171.100000117.1
112H35.6Very low37Very low135 Ų135113.9 Ų113.963%0.62559%0.585SS**THydrogen-bonded Turntrans-78.7-26.7174.867.1-87.5000112.7P110 K114 R115P110-H112 PolarHBondContact O-N 3.44Å; H112-K114 VanDerWaalsContact C-N 3.34Å; H112-R115 PolarHBondContact O-N 3.49Å
113F32Very low36.6Very low117 Ų117106.4 Ų106.451%0.51356%0.561SS.*Hα-helixtrans-73.8-26.3172.8-126.7-96.2000112.1I109 P110 R115 T116 S117I109-F113 HydrophobicContact CG2-CB 3.34Å; I109-F113 HydrophobicContact CG2-CD1 4.14Å; I109-F113 HydrophobicContact CG2-CG 3.95Å; P110-F113 WeakPolarHBondContact O-CB 3.16Å; P110-F113 PolarHBondContact O-N 3.06Å; F113-R115 PolarHBondContact O-N 3.32Å; F113-T116 PolarHBondContact O-N 3.41Å; F113-T116 PolarHBondContact O-OG1 3.15Å; F113-S117 PolarHBondContact O-N 2.87Å
114K32.2Very low36.2Very low145 Ų145104.9 Ų104.963%0.6356%0.563SS**Hα-helixtrans-64.1-22.4171.7-68.9-171.2176.3-173.50112.8H112 A118H112-K114 VanDerWaalsContact C-N 3.34Å; K114-A118 PolarHBondContact O-N 3.48Å
115R31Very low35.6Very low197 Ų197103.8 Ų103.874%0.74356%0.564SS**Hα-helixtrans-76.1-31.5175.5-79.7-175.9174.4-179-1.9113.2H112 F113 A118 V119H112-R115 PolarHBondContact O-N 3.49Å; F113-R115 PolarHBondContact O-N 3.32Å; R115-A118 PolarHBondContact O-N 2.93Å; R115-V119 WeakPolarHBondContact O-CG2 3.44Å; R115-V119 PolarHBondContact O-N 3.49Å
116T30.8Very low35.1Very low55 Ų55102 Ų10234%0.33756%0.56SS.*Hα-helixtrans-74-34172.52.30000111.1F113 V119 L120F113-T116 PolarHBondContact O-N 3.41Å; F113-T116 PolarHBondContact O-OG1 3.15Å; T116-V119 PolarHBondContact O-N 2.62Å; T116-L120 PolarHBondContact O-N 3.34Å
117S29.8Very low34.5Very low53 Ų53100.8 Ų100.837%0.37156%0.558SS.*Hα-helixtrans-60.6-43.2167.4-165.70000112.1F113 V119 L120 E121F113-S117 PolarHBondContact O-N 2.87Å; S117-V119 VanDerWaalsContact C-N 3.27Å; S117-V119 PolarHBondContact O-N 3.47Å; S117-L120 CarbonylContact O-C 3.54Å; S117-L120 WeakPolarHBondContact O-CA 2.91Å; S117-L120 PolarHBondContact O-N 2.71Å; S117-E121 WeakPolarHBondContact O-CB 3.13Å; S117-E121 WeakPolarHBondContact O-CG 3.25Å; S117-E121 PolarHBondContact O-N 3.47Å; S117-E121 PolarHBondContact OG-OE1 3.35Å
118A31.5Very low33.8Very low52 Ų5298 Ų9843%0.4355%0.549SS..Hα-helixtrans-63-29.6177.200000113.7K114 R115 G122K114-A118 PolarHBondContact O-N 3.48Å; R115-A118 PolarHBondContact O-N 2.93Å; A118-G122 PolarHBondContact O-N 2.75Å
119V33.3Very low32.9Very low91 Ų9199.3 Ų99.355%0.55255%0.546SS*.Hα-helixtrans-72.5-33.1173.8174.60000111.3R115 T116 S117R115-V119 WeakPolarHBondContact O-CG2 3.44Å; R115-V119 PolarHBondContact O-N 3.49Å; T116-V119 PolarHBondContact O-N 2.62Å; S117-V119 VanDerWaalsContact C-N 3.27Å; S117-V119 PolarHBondContact O-N 3.47Å
120L32.2Very low32.3Very low43 Ų43104 Ų10423%0.22557%0.566CS.*Hα-helixtrans-80.9-26.8174-72.4159.9000112.8T116 S117 G122 L123 L534T116-L120 PolarHBondContact O-N 3.34Å; S117-L120 CarbonylContact O-C 3.54Å; S117-L120 WeakPolarHBondContact O-CA 2.91Å; S117-L120 PolarHBondContact O-N 2.71Å; L120-G122 VanDerWaalsContact C-N 3.35Å; L120-L123 HydrophobicContact CD2-CD1 4.07Å; L120-L123 WeakPolarHBondContact O-CB 3.06Å; L120-L123 PolarHBondContact O-N 3.31Å; L120-L534 HydrophobicContact CD1-CD2 3.53Å; L120-L534 HydrophobicContact CD1-CG 4.16Å
121E34.3Very low31.8Very low123 Ų123104.2 Ų104.258%0.57557%0.57SS**Hα-helixtrans-72.1-29.9169.8-73.8162.9-149.800111.1S117 L123 A124S117-E121 WeakPolarHBondContact O-CB 3.13Å; S117-E121 WeakPolarHBondContact O-CG 3.25Å; S117-E121 PolarHBondContact O-N 3.47Å; S117-E121 PolarHBondContact OG-OE1 3.35Å; E121-L123 PolarHBondContact O-N 3Å; E121-A124 WeakPolarHBondContact O-CB 3.22Å; E121-A124 PolarHBondContact O-N 3.46Å
122G36.1Very low31.3Very low62 Ų62107.1 Ų107.164%0.63958%0.579SS**THydrogen-bonded Turntrans-71.2-12.3167.900000114.4A118 L120A118-G122 PolarHBondContact O-N 2.75Å; L120-G122 VanDerWaalsContact C-N 3.35Å
123L35.7Very low31Very low52 Ų52108.9 Ų108.927%0.27259%0.588SS.*THydrogen-bonded Turntrans-90-2168-77.5166.2000112.4L120 E121 M125 T496 M533L120-L123 HydrophobicContact CD2-CD1 4.07Å; L120-L123 WeakPolarHBondContact O-CB 3.06Å; L120-L123 PolarHBondContact O-N 3.31Å; E121-L123 PolarHBondContact O-N 3Å; L123-M125 PolarHBondContact O-N 3.45Å; L123-T496 HydrophobicContact CD2-CG2 3.44Å; L123-T496 VanDerWaalsContact CD2-CG2 3.44Å; L123-T496 HydrophobicContact CG-CG2 4.19Å; L123-M533 HydrophobicContact CD1-CE 4.16Å
124A33.9Very low30.8Very low70 Ų70113.4 Ų113.458%0.57960%0.601SS**SBendtrans-63.2108.9161.300000106.9E121 P126E121-A124 WeakPolarHBondContact O-CB 3.22Å; E121-A124 PolarHBondContact O-N 3.46Å; A124-P126 VanDerWaalsContact O-N 3.13Å
125M31.5Very low30.6Very low112 Ų112115.3 Ų115.355%0.55261%0.61SS**  trans-43.5120.9-173-58.6-153.1-58.100110.3L123 I127 L511 L522L123-M125 PolarHBondContact O-N 3.45Å; M125-I127 PolarHBondContact O-N 2.93Å; M125-L511 HydrophobicContact SD-CD2 4.43Å; M125-L522 HydrophobicContact CE-CD1 4.46Å; M125-L522 HydrophobicContact CE-CD2 4.38Å
126P29.6Very low30.5Very low100 Ų100110.4 Ų110.465%0.64961%0.606SS**  trans-59.7119.716525.4-30.9000105.9A124 L128A124-P126 VanDerWaalsContact O-N 3.13Å; P126-L128 HydrophobicContact CB-CD1 4.3Å; P126-L128 HydrophobicContact CG-CD1 4.41Å; P126-L128 PolarHBondContact O-N 2.96Å
127I28.7Very low30.5Very low162 Ų162111.5 Ų111.583%0.83161%0.606SS**  trans-61.784.9163.2-59.9172.2000104.6M125 E129M125-I127 PolarHBondContact O-N 2.93Å; I127-E129 VanDerWaalsContact C-N 3.27Å; I127-E129 PolarHBondContact O-N 2.82Å
128L29.3Very low30.5Very low129 Ų129114.9 Ų114.968%0.67562%0.619SS**  trans-83.487.1178.8-141.2109.1000106.4P126 Q130P126-L128 HydrophobicContact CB-CD1 4.3Å; P126-L128 HydrophobicContact CG-CD1 4.41Å; P126-L128 PolarHBondContact O-N 2.96Å; L128-Q130 PolarHBondContact O-N 3.25Å
129E27.5Very low30.2Very low158 Ų158117.7 Ų117.774%0.73863%0.633SS**  trans-48.3136.8161.4-71-176153.800109.1I127I127-E129 VanDerWaalsContact C-N 3.27Å; I127-E129 PolarHBondContact O-N 2.82Å
130Q27.3Very low30Very low174 Ų174116.1 Ų116.181%0.81364%0.636SS**  trans73.798169.1-52.9178.77.100116.8L128L128-Q130 PolarHBondContact O-N 3.25Å
131S29.3Very low29.9Very low80 Ų80119.1 Ų119.156%0.55965%0.649SS**  -169.3126127.766.60000109K514S131-K514 VanDerWaalsContact CA-NZ 3.33Å; S131-K514 PolarHBondContact O-NZ 3.42Å; S131-K514 WeakPolarHBondContact OG-CE 3.31Å; S131-K514 PolarHBondContact OG-NZ 2.82Å
132T26.1Very low30Very low140 Ų140119.6 Ų119.686%0.85965%0.654SS**  trans-83.3115-170.9320000110.1
133Q29.2Very low30.5Very low171 Ų171119.2 Ų119.280%0.79964%0.635SS**  trans-160.780.6154.8-110170.616.300109.2F135Q133-F135 PolarHBondContact O-N 3.38Å
134R26.8Very low31.4Very low212 Ų212126 Ų12680%0.866%0.657SS**  trans-65.6113.9168.6-83.5-179.7-177.8171.8-1.3109S136R134-S136 PolarHBondContact O-N 2.77Å
135F28.9Very low32.5Very low185 Ų185126.2 Ų126.281%0.81165%0.649SS**  trans-9085160.8-84.1-83.3000109.6Q133Q133-F135 PolarHBondContact O-N 3.38Å
136S28.4Very low34.2Very low94 Ų94121.9 Ų121.966%0.65763%0.628SS**  trans35.285.5150.565.40000120.1R134R134-S136 PolarHBondContact O-N 2.77Å
137F30.2Very low36.1Very low78 Ų78125 Ų12534%0.34263%0.631SS.*SBend-83.6132.8105.8-79.4-85.1000107
138L29.8Very low38.6Very low124 Ų124119.4 Ų119.465%0.64961%0.613SS**  trans-51.6127.6179.3-82.5157.5000109.4G140 Q141L138-G140 PolarHBondContact O-N 2.66Å; L138-Q141 PolarHBondContact O-N 3.39Å; L138-Q141 VanDerWaalsContact O-N 3.14Å
139P26.3Very low41.2Very low111 Ų111119.1 Ų119.172%0.72161%0.613SS**THydrogen-bonded Turntrans-66.233.7-176.4-19.731.9000116.2
140G28.3Very low43.8Very low59 Ų59116.2 Ų116.261%0.60860%0.599SS**THydrogen-bonded Turntrans-146.23.7176.100000113.9L138 I142L138-G140 PolarHBondContact O-N 2.66Å; G140-I142 VanDerWaalsContact C-N 3.27Å; G140-I142 PolarHBondContact O-N 3.27Å
141Q31.2Very low46.7Very low105 Ų105111 Ų11149%0.49157%0.574SS.*  trans-9463.2170.3-71.4-169.7-25.200110L138 Q143 P185L138-Q141 PolarHBondContact O-N 3.39Å; L138-Q141 VanDerWaalsContact O-N 3.14Å; Q141-Q143 PolarHBondContact O-N 3.27Å; Q141-P185 HydrophobicContact CB-CG 4.23Å; Q141-P185 HydrophobicContact CG-CG 4.04Å
142I34.9Very low49.4Very low134 Ų134113.5 Ų113.569%0.68758%0.577SS**  trans-50.4123.3178.1-66167.2000109.4G140 R144G140-I142 VanDerWaalsContact C-N 3.27Å; G140-I142 PolarHBondContact O-N 3.27Å; I142-R144 PolarHBondContact O-N 3.26Å
143Q48.1Very low52.5Low53 Ų53111.1 Ų111.125%0.24856%0.558CS.*  trans-45.3110.8159.8-81.5165.4-39.500108.6Q141 N145 E263Q141-Q143 PolarHBondContact O-N 3.27Å; Q143-N145 PolarHBondContact O-N 3.13Å; Q143-E263 PolarHBondContact NE2-O 2.7Å; Q143-E263 PolarHBondContact OE1-O 2.7Å
144R53.2Low55.4Low194 Ų194103 Ų10373%0.73252%0.521SS*.  trans-88.4111.5168.9-64.7-174.1-177.2179.2-0.3106I142 L146I142-R144 PolarHBondContact O-N 3.26Å; R144-L146 PolarHBondContact O-N 2.79Å; R144-L146 VanDerWaalsContact O-N 3.16Å
145N58Low58.6Low75 Ų7593.7 Ų93.740%0.40149%0.487SS..BIsolated β-bridgetrans-48.1125.1150.4-74.9-15.4000105.8Q143 K147 I261Q143-N145 PolarHBondContact O-N 3.13Å; N145-K147 WeakPolarHBondContact O-CG 3.46Å; N145-K147 PolarHBondContact O-N 2.73Å; N145-I261 VanDerWaalsContact OD1-CD1 3.3Å; N145-I261 WeakPolarHBondContact OD1-CD1 3.05Å
146L66.1Low61.5Low21 Ų2186.6 Ų86.611%0.1146%0.463CS..  trans-58.9130.8171.8-72.3164000107R144 K151 L154 A180 I191R144-L146 PolarHBondContact O-N 2.79Å; R144-L146 VanDerWaalsContact O-N 3.16Å; L146-K151 HydrophobicContact CB-CB 3.99Å; L146-K151 HydrophobicContact CB-CG 4.22Å; L146-K151 WeakPolarHBondContact O-CD 3.36Å; L146-L154 HydrophobicContact CD1-CD2 3.51Å; L146-A180 HydrophobicContact CB-CB 4.46Å; L146-A180 PolarHBondContact N-O 3.1Å; L146-I191 HydrophobicContact CD1-CD1 4.17Å; L146-I191 HydrophobicContact CD1-CG2 3.69Å
147K69.9Low64.6Low165 Ų16584.4 Ų84.472%0.71744%0.444SS*.  trans-130.9153.2-176.6-72.2-175.5-177.9-1710109.7N145N145-K147 WeakPolarHBondContact O-CG 3.46Å; N145-K147 PolarHBondContact O-N 2.73Å
148G81.1Confident67.6Low45 Ų4580.7 Ų80.746%0.46443%0.427SS..THydrogen-bonded Turntrans65.4-155.1177.500000113.6E150 K151 E152G148-E150 PolarHBondContact O-N 3.36Å; G148-E150 VanDerWaalsContact O-N 3.11Å; G148-K151 VanDerWaalsContact O-CB 3.3Å; G148-K151 WeakPolarHBondContact O-CB 3.44Å; G148-K151 PolarHBondContact O-N 3.08Å; G148-E152 PolarHBondContact O-N 3.31Å
149D83.9Confident70.7Confident124 Ų12475.5 Ų75.566%0.66340%0.4SS*.Hα-helixtrans-54-34.5-172.2-52-1.6000113.6K151 E152 L153D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.28Å; D149-E152 PolarHBondContact O-N 3.09Å; D149-L153 WeakPolarHBondContact O-CB 3.16Å; D149-L153 VanDerWaalsContact O-CG 3.28Å; D149-L153 WeakPolarHBondContact O-CG 3.06Å; D149-L153 PolarHBondContact O-N 2.7Å
150E83.6Confident73.8Confident96 Ų9675.2 Ų75.245%0.44938%0.384SS..Hα-helixtrans-63.1-35.9177.2-67.1-167.3141.900112.5G148 L154 G236G148-E150 PolarHBondContact O-N 3.36Å; G148-E150 VanDerWaalsContact O-N 3.11Å; E150-L154 WeakPolarHBondContact O-CB 2.99Å; E150-L154 PolarHBondContact O-N 2.76Å; E150-G236 WeakPolarHBondContact O-CA 3.47Å
151K86.5Confident76.8Confident64 Ų6473.9 Ų73.928%0.27836%0.363SS..Hα-helixtrans-68.4-45.7176.1-175.3-164.5177.9-177.80110L146 G148 D149 L154 V155L146-K151 HydrophobicContact CB-CB 3.99Å; L146-K151 HydrophobicContact CB-CG 4.22Å; L146-K151 WeakPolarHBondContact O-CD 3.36Å; G148-K151 VanDerWaalsContact O-CB 3.3Å; G148-K151 WeakPolarHBondContact O-CB 3.44Å; G148-K151 PolarHBondContact O-N 3.08Å; D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.28Å; K151-L154 PolarHBondContact O-N 2.64Å; K151-V155 HydrophobicContact CG-CG2 4.36Å; K151-V155 WeakPolarHBondContact O-CB 3.21Å; K151-V155 WeakPolarHBondContact O-CG2 2.71Å; K151-V155 PolarHBondContact O-N 3.01Å
152E87.7Confident79.8Confident134 Ų13468.9 Ų68.963%0.62634%0.34SS*.Hα-helixtrans-65.5-45-176.3-66.4178.3-177.700111.6G148 D149 L154 V155 A156G148-E152 PolarHBondContact O-N 3.31Å; D149-E152 PolarHBondContact O-N 3.09Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.21Å; E152-V155 PolarHBondContact O-N 3.3Å; E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.13Å
153L89.9Confident82.6Confident89 Ų8963 Ų6347%0.46631%0.309SS..Hα-helixtrans-58.8-45.1174-71.9170.5000111.7D149 A156 D157 G236D149-L153 WeakPolarHBondContact O-CB 3.16Å; D149-L153 VanDerWaalsContact O-CG 3.28Å; D149-L153 WeakPolarHBondContact O-CG 3.06Å; D149-L153 PolarHBondContact O-N 2.7Å; L153-A156 PolarHBondContact O-N 3.17Å; L153-D157 PolarHBondContact O-N 3.27Å; L153-G236 CarbonylContact C-O 3.38Å
154L91.5Very high84.7Confident2 Ų266.1 Ų66.11%0.0133%0.326CS..Hα-helixtrans-66.1-43.5-180-178.859.8000111.3L146 E150 K151 E152 A156 D157 I158 I191 V193 W229 A233 G236 M238L146-L154 HydrophobicContact CD1-CD2 3.51Å; E150-L154 WeakPolarHBondContact O-CB 2.99Å; E150-L154 PolarHBondContact O-N 2.76Å; K151-L154 PolarHBondContact O-N 2.64Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.21Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3Å; L154-D157 PolarHBondContact O-N 3.34Å; L154-I158 HydrophobicContact CD1-CD1 4.01Å; L154-I158 HydrophobicContact CD1-CG1 4.17Å; L154-I158 HydrophobicContact CD2-CD1 4.31Å; L154-I158 HydrophobicContact CG-CD1 3.71Å; L154-I158 HydrophobicContact CG-CG1 4.31Å; L154-I158 WeakPolarHBondContact O-CB 3.19Å; L154-I158 WeakPolarHBondContact O-CG1 2.99Å; L154-I158 PolarHBondContact O-N 2.95Å; L154-I191 HydrophobicContact CD2-CD1 4.23Å; L154-I191 HydrophobicContact CD2-CG2 4.11Å; L154-V193 HydrophobicContact CD2-CG2 4.44Å; L154-W229 HydrophobicContact CD1-CH2 4.15Å; L154-W229 HydrophobicContact CD1-CZ3 4.47Å; L154-W229 HydrophobicContact CD2-CZ3 4.35Å; L154-A233 HydrophobicContact CD1-CB 3.75Å; L154-A233 HydrophobicContact CD2-CB 4.05Å; L154-A233 HydrophobicContact CG-CB 4.47Å; L154-G236 WeakPolarHBondContact CA-O 3.48Å; L154-G236 VanDerWaalsContact CB-O 3.3Å; L154-G236 WeakPolarHBondContact CB-O 3.31Å; L154-G236 PolarHBondContact N-O 3.25Å; L154-M238 HydrophobicContact CD1-CB 4.08Å
155V92.5Very high86.5Confident15 Ų1558.5 Ų58.59%0.09130%0.299CS..Hα-helixtrans-62.5-41.3178.8168.50000110.6K151 E152 I158 E159 T174 V177 L195K151-V155 HydrophobicContact CG-CG2 4.36Å; K151-V155 WeakPolarHBondContact O-CB 3.21Å; K151-V155 WeakPolarHBondContact O-CG2 2.71Å; K151-V155 PolarHBondContact O-N 3.01Å; E152-V155 PolarHBondContact O-N 3.3Å; V155-I158 PolarHBondContact O-N 2.71Å; V155-E159 WeakPolarHBondContact O-CB 3.38Å; V155-E159 PolarHBondContact O-N 2.87Å; V155-T174 HydrophobicContact CG1-CG2 4.1Å; V155-V177 HydrophobicContact CB-CG2 4.45Å; V155-V177 HydrophobicContact CG1-CG2 3.88Å; V155-V177 HydrophobicContact CG2-CG1 4.31Å; V155-V177 HydrophobicContact CG2-CG2 3.74Å; V155-L195 HydrophobicContact CG1-CD1 4.42Å; V155-L195 HydrophobicContact CG1-CD2 3.97Å; V155-L195 HydrophobicContact CG2-CD2 4.23Å
156A91.4Very high88.2Confident37 Ų3755.4 Ų55.431%0.30628%0.283SS..Hα-helixtrans-63.6-41.5176.100000112.5E152 L153 L154 R160E152-A156 WeakPolarHBondContact O-CB 3.44Å; E152-A156 PolarHBondContact O-N 3.13Å; L153-A156 PolarHBondContact O-N 3.17Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3Å; A156-R160 VanDerWaalsContact O-CG 3.31Å; A156-R160 WeakPolarHBondContact O-CG 3.37Å; A156-R160 PolarHBondContact O-N 3.11Å
157D92.5Very high89.2Confident48 Ų4862.3 Ų62.326%0.25732%0.315SS..Hα-helixtrans-63.6-45.5174.5-78.7-10.6000111.4L153 L154 R160 D161 M238L153-D157 PolarHBondContact O-N 3.27Å; L154-D157 PolarHBondContact O-N 3.34Å; D157-R160 PolarHBondContact O-N 3.15Å; D157-D161 PolarHBondContact O-N 2.89Å; D157-M238 HydrophobicContact CB-CB 3.73Å; D157-M238 PolarHBondContact OD2-N 2.96Å
158I94.4Very high90Very high0 Ų058.7 Ų58.70%030%0.3CS..Hα-helixtrans-62-46.6177.9-67.9168.4000110.3L154 V155 R160 D161 M162 V193 L195 W229L154-I158 HydrophobicContact CD1-CD1 4.01Å; L154-I158 HydrophobicContact CD1-CG1 4.17Å; L154-I158 HydrophobicContact CD2-CD1 4.31Å; L154-I158 HydrophobicContact CG-CD1 3.71Å; L154-I158 HydrophobicContact CG-CG1 4.31Å; L154-I158 WeakPolarHBondContact O-CB 3.19Å; L154-I158 WeakPolarHBondContact O-CG1 2.99Å; L154-I158 PolarHBondContact O-N 2.95Å; V155-I158 PolarHBondContact O-N 2.71Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.22Å; I158-D161 PolarHBondContact O-N 3.32Å; I158-D161 VanDerWaalsContact O-N 3.17Å; I158-M162 HydrophobicContact CG2-CE 3.78Å; I158-M162 HydrophobicContact CG2-CG 4.04Å; I158-M162 VanDerWaalsContact O-CG 3.23Å; I158-M162 WeakPolarHBondContact O-CG 3.43Å; I158-M162 PolarHBondContact O-N 3.31Å; I158-V193 HydrophobicContact CD1-CB 3.93Å; I158-V193 HydrophobicContact CD1-CG1 4.1Å; I158-V193 HydrophobicContact CD1-CG2 3.74Å; I158-L195 HydrophobicContact CB-CD1 4.25Å; I158-L195 HydrophobicContact CG2-CD1 3.63Å; I158-W229 HydrophobicContact CD1-CB 4.31Å; I158-W229 HydrophobicContact CD1-CD2 3.58Å; I158-W229 HydrophobicContact CD1-CE3 3.43Å; I158-W229 VanDerWaalsContact CD1-CE3 3.43Å; I158-W229 HydrophobicContact CD1-CG 3.99Å; I158-W229 HydrophobicContact CD1-CH2 4.43Å; I158-W229 HydrophobicContact CD1-CZ3 3.88Å; I158-W229 HydrophobicContact CG1-CD2 3.78Å; I158-W229 HydrophobicContact CG1-CE3 4.14Å; I158-W229 HydrophobicContact CG1-CG 3.98Å; I158-W229 HydrophobicContact CG1-CZ2 4.44Å; I158-W229 HydrophobicContact CG2-CB 3.81Å; I158-W229 HydrophobicContact CG2-CG 3.92Å
159E93.8Very high90.5Very high14 Ų1462.3 Ų62.37%0.06531%0.309CS..Hα-helixtrans-55.7-44.9179.4-176.5-175.9110.100111.8V155 M162 N163 Y171 T174 M197 S213V155-E159 WeakPolarHBondContact O-CB 3.38Å; V155-E159 PolarHBondContact O-N 2.87Å; E159-M162 PolarHBondContact O-N 3.13Å; E159-N163 PolarHBondContact O-N 3.27Å; E159-N163 PolarHBondContact O-ND2 3.45Å; E159-Y171 HydrophobicContact CG-CE1 4.29Å; E159-Y171 WeakPolarHBondContact CG-OH 3.13Å; E159-Y171 WeakPolarHBondContact OE1-CE1 3.21Å; E159-Y171 VanDerWaalsContact OE1-CZ 3.26Å; E159-Y171 PolarHBondContact OE1-OH 3.4Å; E159-T174 WeakPolarHBondContact OE2-CA 3.35Å; E159-T174 WeakPolarHBondContact OE2-CB 3.03Å; E159-T174 PolarHBondContact OE2-N 3.26Å; E159-T174 PolarHBondContact OE2-OG1 2.74Å; E159-M197 HydrophobicContact CG-CE 3.78Å; E159-S213 PolarHBondContact OE1-OG 3.34Å
160R91.1Very high90.9Very high105 Ų10557.6 Ų57.640%0.39628%0.284SS..Hα-helixtrans-63.5-46.9176.8-67.1171-160.1-151.8-1.9111.2A156 D157 I158 M162 N163 M164 G211A156-R160 VanDerWaalsContact O-CG 3.31Å; A156-R160 WeakPolarHBondContact O-CG 3.37Å; A156-R160 PolarHBondContact O-N 3.11Å; D157-R160 PolarHBondContact O-N 3.15Å; I158-R160 VanDerWaalsContact C-N 3.3Å; I158-R160 PolarHBondContact O-N 3.22Å; R160-M162 VanDerWaalsContact C-N 3.32Å; R160-M162 PolarHBondContact O-N 3.4Å; R160-N163 PolarHBondContact O-N 3.12Å; R160-M164 WeakPolarHBondContact O-CG 3.32Å; R160-M164 PolarHBondContact O-N 3.45Å; R160-G211 PolarHBondContact NH2-O 3.41Å
161D92Very high91.4Very high31 Ų3153.2 Ų53.217%0.16626%0.263CS..Hα-helixtrans-60.5-41.7177.7-16149.3000111.6D157 I158 M164 L165 M238 T241D157-D161 PolarHBondContact O-N 2.89Å; I158-D161 PolarHBondContact O-N 3.32Å; I158-D161 VanDerWaalsContact O-N 3.17Å; D161-M164 HydrophobicContact CB-CE 4.4Å; D161-M164 PolarHBondContact O-N 3.23Å; D161-L165 VanDerWaalsContact O-CG 3.28Å; D161-L165 WeakPolarHBondContact O-CG 3.35Å; D161-L165 PolarHBondContact O-N 3.27Å; D161-M238 HydrophobicContact CB-CE 3.99Å; D161-M238 HydrophobicContact CB-SD 4.38Å; D161-T241 PolarHBondContact OD2-OG1 3.15Å
162M93.4Very high91.8Very high0 Ų051.1 Ų51.10%025%0.253CS..Hα-helixtrans-61.8-46.5175.9-68.8-57.9143.700112.1I158 E159 R160 M164 L165 L166 M197 C227 W229 V244I158-M162 HydrophobicContact CG2-CE 3.78Å; I158-M162 HydrophobicContact CG2-CG 4.04Å; I158-M162 VanDerWaalsContact O-CG 3.23Å; I158-M162 WeakPolarHBondContact O-CG 3.43Å; I158-M162 PolarHBondContact O-N 3.31Å; E159-M162 PolarHBondContact O-N 3.13Å; R160-M162 VanDerWaalsContact C-N 3.32Å; R160-M162 PolarHBondContact O-N 3.4Å; M162-M164 VanDerWaalsContact C-N 3.29Å; M162-M164 PolarHBondContact O-N 3.01Å; M162-L165 CarbonylContact O-C 3.52Å; M162-L165 PolarHBondContact O-N 2.92Å; M162-L165 VanDerWaalsContact O-N 3.1Å; M162-L166 WeakPolarHBondContact O-CB 3.39Å; M162-L166 WeakPolarHBondContact O-CD1 3.41Å; M162-L166 WeakPolarHBondContact O-CG 3.08Å; M162-L166 PolarHBondContact O-N 3.48Å; M162-M197 HydrophobicContact CB-CE 4.14Å; M162-M197 HydrophobicContact CB-SD 4.12Å; M162-M197 HydrophobicContact CG-SD 4.37Å; M162-C227 HydrophobicContact CG-CB 4.09Å; M162-C227 HydrophobicContact SD-CB 3.95Å; M162-W229 HydrophobicContact CE-CB 3.65Å; M162-W229 VanDerWaalsContact CE-CD1 3.45Å; M162-W229 HydrophobicContact CE-CG 3.91Å; M162-V244 HydrophobicContact CE-CB 4.16Å; M162-V244 HydrophobicContact CE-CG1 3.49Å; M162-V244 VanDerWaalsContact CE-CG1 3.49Å; M162-V244 HydrophobicContact CE-CG2 3.63Å; M162-V244 HydrophobicContact SD-CG1 3.3Å; M162-V244 WeakPolarHBondContact SD-CG1 3.37Å; M162-V244 HydrophobicContact SD-CG2 4.49Å
163N94.1Very high92.1Very high10 Ų1045.1 Ų45.15%0.05323%0.227CC..Hα-helixtrans-63.4-36.3178.6-82.8-81000112.3E159 R160 L165 Y171 Y172 M197E159-N163 PolarHBondContact O-N 3.27Å; E159-N163 PolarHBondContact O-ND2 3.45Å; R160-N163 PolarHBondContact O-N 3.12Å; N163-L165 VanDerWaalsContact C-N 3.35Å; N163-Y171 HydrophobicContact CB-CD2 3.88Å; N163-Y171 HydrophobicContact CB-CE2 3.69Å; N163-Y171 VanDerWaalsContact CG-CD2 3.47Å; N163-Y171 VanDerWaalsContact CG-CE2 3.42Å; N163-Y171 WeakPolarHBondContact ND2-CE2 3.27Å; N163-Y172 PolarHBondContact ND2-O 3.13Å; N163-Y172 PolarHBondContact OD1-N 2.96Å; N163-M197 WeakPolarHBondContact ND2-CE 3.48Å
164M91.3Very high92.2Very high119 Ų11942.3 Ų42.359%0.58621%0.214SC*.Hα-helixtrans-63.4-41.1171.8-69.3-171.2-6700111.8R160 D161 M162 E167R160-M164 WeakPolarHBondContact O-CG 3.32Å; R160-M164 PolarHBondContact O-N 3.45Å; D161-M164 HydrophobicContact CB-CE 4.4Å; D161-M164 PolarHBondContact O-N 3.23Å; M162-M164 VanDerWaalsContact C-N 3.29Å; M162-M164 PolarHBondContact O-N 3.01Å; M164-E167 WeakPolarHBondContact O-CG 3.31Å
165L92.8Very high92Very high35 Ų3543.7 Ų43.718%0.18323%0.225CC..Hα-helixtrans-73.9-29179.9-70.5170.7000114.2D161 M162 N163 E167 V244 V294 K296D161-L165 VanDerWaalsContact O-CG 3.28Å; D161-L165 WeakPolarHBondContact O-CG 3.35Å; D161-L165 PolarHBondContact O-N 3.27Å; M162-L165 CarbonylContact O-C 3.52Å; M162-L165 PolarHBondContact O-N 2.92Å; M162-L165 VanDerWaalsContact O-N 3.1Å; N163-L165 VanDerWaalsContact C-N 3.35Å; L165-E167 VanDerWaalsContact C-N 3.32Å; L165-V244 HydrophobicContact CD1-CB 4.19Å; L165-V244 HydrophobicContact CD1-CG1 3.95Å; L165-V244 HydrophobicContact CD1-CG2 3.92Å; L165-V294 HydrophobicContact CB-CG1 4.35Å; L165-V294 HydrophobicContact CB-CG2 4.19Å; L165-V294 WeakPolarHBondContact O-CG2 3.5Å; L165-K296 HydrophobicContact CD2-CD 4.11Å
166L93Very high91.7Very high9 Ų947.2 Ų47.25%0.04724%0.24CC..Hα-helixtrans-72.5-26-179.2-78.8165000112.7M162 Q168 I225 C246 L293 V294M162-L166 WeakPolarHBondContact O-CB 3.39Å; M162-L166 WeakPolarHBondContact O-CD1 3.41Å; M162-L166 WeakPolarHBondContact O-CG 3.08Å; M162-L166 PolarHBondContact O-N 3.48Å; L166-Q168 HydrophobicContact CB-CG 4.08Å; L166-Q168 WeakPolarHBondContact O-CG 3.22Å; L166-Q168 PolarHBondContact O-N 3.37Å; L166-Q168 VanDerWaalsContact O-N 3.13Å; L166-Q168 PolarHBondContact O-NE2 2.92Å; L166-Q168 VanDerWaalsContact O-NE2 3.1Å; L166-I225 HydrophobicContact CD1-CD1 3.33Å; L166-I225 HydrophobicContact CD2-CD1 4.02Å; L166-I225 HydrophobicContact CG-CD1 4.34Å; L166-C246 HydrophobicContact CD2-CB 3.9Å; L166-L293 HydrophobicContact CD2-CB 3.75Å; L166-L293 HydrophobicContact CD2-CD1 3.91Å; L166-L293 HydrophobicContact CD2-CG 4.43Å; L166-V294 HydrophobicContact CD2-CG2 4.02Å; L166-V294 HydrophobicContact CG-CG2 4.33Å
167E87.1Confident91.5Very high167 Ų16746.8 Ų46.878%0.7823%0.234SC*.THydrogen-bonded Turntrans49.638.3180-62.1178.7-173.300112.7M164 L165M164-E167 WeakPolarHBondContact O-CG 3.31Å; L165-E167 VanDerWaalsContact C-N 3.32Å
168Q87.6Confident91Very high89 Ų8946.8 Ų46.842%0.41623%0.234SC..  trans-95.6151.7178.6-62.3-60.4-55.600111.3L166 N170 Y172 A204L166-Q168 HydrophobicContact CB-CG 4.08Å; L166-Q168 WeakPolarHBondContact O-CG 3.22Å; L166-Q168 PolarHBondContact O-N 3.37Å; L166-Q168 VanDerWaalsContact O-N 3.13Å; L166-Q168 PolarHBondContact O-NE2 2.92Å; L166-Q168 VanDerWaalsContact O-NE2 3.1Å; Q168-N170 VanDerWaalsContact C-N 3.28Å; Q168-N170 PolarHBondContact O-N 3.4Å; Q168-Y172 HydrophobicContact CB-CE2 4.33Å; Q168-Y172 HydrophobicContact CG-CE2 4.31Å; Q168-A204 VanDerWaalsContact O-CB 3.22Å; Q168-A204 WeakPolarHBondContact O-CB 3.49Å
169D90.4Very high90.5Very high121 Ų12148 Ų4865%0.64724%0.238SC*.SBendtrans-61.3-37.2177.7-74.2-25000113.2K203 A204D169-K203 WeakPolarHBondContact O-CA 3.49Å; D169-K203 VanDerWaalsContact O-CD 3.31Å; D169-K203 WeakPolarHBondContact O-CD 3.49Å; D169-A204 PolarHBondContact O-N 3.05Å
170N93.1Very high90.1Very high25 Ų2547.6 Ų47.613%0.13424%0.238CC..EExtended strand (participates in β ladder)trans-102.3143.7-176.2-69.762.7000110.1Q168 K199 T200 C202 I219Q168-N170 VanDerWaalsContact C-N 3.28Å; Q168-N170 PolarHBondContact O-N 3.4Å; N170-K199 HydrophobicContact CB-CD 4.32Å; N170-K199 HydrophobicContact CB-CG 3.94Å; N170-K199 WeakPolarHBondContact ND2-CE 3.37Å; N170-T200 PolarHBondContact ND2-O 2.9Å; N170-C202 WeakPolarHBondContact CA-O 3.18Å; N170-I219 VanDerWaalsContact ND2-CD1 3.32Å; N170-I219 WeakPolarHBondContact ND2-CD1 3.48Å
171Y94.2Very high89.6Confident4 Ų442.7 Ų42.72%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-72.2142.7172.5-165.2-97.7000110.6E159 N163 A173 T200 C202 V207 S213E159-Y171 HydrophobicContact CG-CE1 4.29Å; E159-Y171 WeakPolarHBondContact CG-OH 3.13Å; E159-Y171 WeakPolarHBondContact OE1-CE1 3.21Å; E159-Y171 VanDerWaalsContact OE1-CZ 3.26Å; E159-Y171 PolarHBondContact OE1-OH 3.4Å; N163-Y171 HydrophobicContact CB-CD2 3.88Å; N163-Y171 HydrophobicContact CB-CE2 3.69Å; N163-Y171 VanDerWaalsContact CG-CD2 3.47Å; N163-Y171 VanDerWaalsContact CG-CE2 3.42Å; N163-Y171 WeakPolarHBondContact ND2-CE2 3.27Å; Y171-A173 HydrophobicContact CD1-CB 4.3Å; Y171-A173 HydrophobicContact CE1-CB 4.18Å; Y171-T200 PolarHBondContact O-N 2.83Å; Y171-T200 PolarHBondContact O-OG1 2.81Å; Y171-C202 PolarHBondContact N-O 3.41Å; Y171-V207 HydrophobicContact CD1-CG2 4.08Å; Y171-V207 HydrophobicContact CD2-CB 3.71Å; Y171-V207 HydrophobicContact CD2-CG1 4.02Å; Y171-V207 HydrophobicContact CD2-CG2 3.63Å; Y171-V207 HydrophobicContact CE1-CG1 4.17Å; Y171-V207 HydrophobicContact CE2-CB 3.76Å; Y171-V207 HydrophobicContact CE2-CG1 3.58Å; Y171-V207 HydrophobicContact CE2-CG2 4.1Å; Y171-V207 HydrophobicContact CG-CB 4.2Å; Y171-V207 HydrophobicContact CG-CG1 4.46Å; Y171-V207 HydrophobicContact CG-CG2 3.6Å; Y171-S213 VanDerWaalsContact CE1-CB 3.43Å
172Y94.2Very high89.3Confident19 Ų1943.7 Ų43.78%0.07522%0.223CC..EExtended strand (participates in β ladder)trans-109.5116.2170.8-79.2-103.1000107.9N163 Q168 M197 R198 K199 I225N163-Y172 PolarHBondContact ND2-O 3.13Å; N163-Y172 PolarHBondContact OD1-N 2.96Å; Q168-Y172 HydrophobicContact CB-CE2 4.33Å; Q168-Y172 HydrophobicContact CG-CE2 4.31Å; Y172-M197 WeakPolarHBondContact O-CE 3.19Å; Y172-R198 WeakPolarHBondContact CA-O 3.26Å; Y172-K199 HydrophobicContact CD1-CB 4.07Å; Y172-K199 HydrophobicContact CE1-CB 3.61Å; Y172-K199 HydrophobicContact CE1-CG 4.16Å; Y172-K199 HydrophobicContact CE2-CB 4.34Å; Y172-K199 HydrophobicContact CE2-CD 4.49Å; Y172-K199 HydrophobicContact CE2-CG 4Å; Y172-I225 HydrophobicContact CD1-CD1 3.58Å; Y172-I225 HydrophobicContact CD1-CG1 3.66Å; Y172-I225 HydrophobicContact CD1-CG2 4.21Å; Y172-I225 HydrophobicContact CD2-CD1 4.31Å; Y172-I225 HydrophobicContact CE1-CB 4.45Å; Y172-I225 HydrophobicContact CE1-CD1 4.06Å; Y172-I225 HydrophobicContact CE1-CG1 4.06Å; Y172-I225 HydrophobicContact CE1-CG2 3.69Å; Y172-I225 HydrophobicContact CG-CD1 3.72Å; Y172-I225 HydrophobicContact CG-CG1 4.29Å
173A93.2Very high88.7Confident8 Ų844.4 Ų44.47%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-95.6149.4176.600000110.2Y171 A175 M197 R198 T200 F218Y171-A173 HydrophobicContact CD1-CB 4.3Å; Y171-A173 HydrophobicContact CE1-CB 4.18Å; A173-A175 PolarHBondContact O-N 3.5Å; A173-M197 CarbonylContact O-C 3.49Å; A173-M197 VanDerWaalsContact O-CA 3.27Å; A173-M197 WeakPolarHBondContact O-CA 3.46Å; A173-R198 PolarHBondContact N-O 2.77Å; A173-R198 PolarHBondContact O-N 2.81Å; A173-T200 HydrophobicContact CB-CG2 3.67Å; A173-F218 HydrophobicContact CB-CE1 3.97Å; A173-F218 HydrophobicContact CB-CZ 4.41Å
174T91.9Very high87.9Confident31 Ų3145.1 Ų45.119%0.1924%0.235CC..EExtended strand (participates in β ladder)trans-65.4117179.9-59.20000109.4V155 E159 V177 L195V155-T174 HydrophobicContact CG1-CG2 4.1Å; E159-T174 WeakPolarHBondContact OE2-CA 3.35Å; E159-T174 WeakPolarHBondContact OE2-CB 3.03Å; E159-T174 PolarHBondContact OE2-N 3.26Å; E159-T174 PolarHBondContact OE2-OG1 2.74Å; T174-V177 HydrophobicContact CG2-CG2 4.07Å; T174-L195 HydrophobicContact CG2-CD2 4.15Å
175A89Confident86.9Confident31 Ų3142.5 Ų42.526%0.25623%0.227SC..EExtended strand (participates in β ladder)trans-87.2-41.3172.200000110.5A173 K196 R198 Y224A173-A175 PolarHBondContact O-N 3.5Å; A175-K196 WeakPolarHBondContact CB-O 3.2Å; A175-K196 PolarHBondContact N-O 2.88Å; A175-R198 HydrophobicContact CB-CB 4.13Å; A175-Y224 HydrophobicContact CB-CE1 4.21Å
176H86.1Confident85.9Confident88 Ų8842.6 Ų42.641%0.40724%0.236SC..EExtended strand (participates in β ladder)trans-146.7142.6177.5-52.9-84.6000111.8K196 F257H176-K196 HydrophobicContact CB-CB 4.28Å; H176-K196 PolarHBondContact N-O 3.49Å; H176-K196 PolarHBondContact O-N 3.25Å; H176-F257 HydrophobicContact CB-CE2 3.96Å
177V87.4Confident85Confident28 Ų2845.4 Ų45.417%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-93.3100.4166.2-177.20000107.3V155 T174 Y179 A180 V193 E194 L195 F257V155-V177 HydrophobicContact CB-CG2 4.45Å; V155-V177 HydrophobicContact CG1-CG2 3.88Å; V155-V177 HydrophobicContact CG2-CG1 4.31Å; V155-V177 HydrophobicContact CG2-CG2 3.74Å; T174-V177 HydrophobicContact CG2-CG2 4.07Å; V177-Y179 VanDerWaalsContact C-N 3.32Å; V177-Y179 PolarHBondContact O-N 3.22Å; V177-A180 HydrophobicContact CG1-CB 4.36Å; V177-V193 HydrophobicContact CG1-CG1 4.4Å; V177-E194 CarbonylContact C-O 3.51Å; V177-L195 HydrophobicContact CB-CD2 4.21Å; V177-L195 HydrophobicContact CG1-CD2 4.04Å; V177-L195 HydrophobicContact CG2-CD2 3.82Å; V177-F257 VanDerWaalsContact O-CZ 3.29Å; V177-F257 WeakPolarHBondContact O-CZ 3.28Å
178L82Confident84.4Confident49 Ų4945.5 Ų45.526%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-63.1-43.3-178.1-65.6-177.2000110.7E194 K196 F257L178-E194 HydrophobicContact CB-CB 4.16Å; L178-E194 HydrophobicContact CB-CG 4.2Å; L178-E194 VanDerWaalsContact CD1-CD 3.46Å; L178-E194 HydrophobicContact CD1-CG 3.85Å; L178-E194 WeakPolarHBondContact CD1-OE1 3.2Å; L178-E194 HydrophobicContact CG-CG 4.42Å; L178-E194 PolarHBondContact N-O 2.79Å; L178-K196 HydrophobicContact CG-CB 4.38Å; L178-F257 HydrophobicContact CD2-CD2 4.15Å; L178-F257 HydrophobicContact CD2-CE2 3.78Å
179Y82.4Confident84.2Confident24 Ų2441.5 Ų41.59%0.09424%0.238CC..EExtended strand (participates in β ladder)trans-157.7158.9172.869-108.7000113.3V177 L192 V193 E194 I261 I265 I280V177-Y179 VanDerWaalsContact C-N 3.32Å; V177-Y179 PolarHBondContact O-N 3.22Å; Y179-L192 HydrophobicContact CE2-CB 3.86Å; Y179-V193 VanDerWaalsContact O-CA 3.3Å; Y179-V193 WeakPolarHBondContact O-CA 3.33Å; Y179-E194 HydrophobicContact CD1-CB 3.68Å; Y179-E194 HydrophobicContact CD2-CB 4.44Å; Y179-E194 HydrophobicContact CE1-CB 3.31Å; Y179-E194 HydrophobicContact CE1-CG 4.25Å; Y179-E194 WeakPolarHBondContact CE1-OE2 3.4Å; Y179-E194 HydrophobicContact CE2-CB 4.09Å; Y179-E194 HydrophobicContact CG-CB 4.2Å; Y179-E194 VanDerWaalsContact CZ-CB 3.49Å; Y179-E194 PolarHBondContact N-O 3.34Å; Y179-E194 PolarHBondContact O-N 2.9Å; Y179-I261 VanDerWaalsContact CB-CD1 3.44Å; Y179-I261 VanDerWaalsContact CB-CG1 3.49Å; Y179-I261 HydrophobicContact CD2-CD1 4.34Å; Y179-I261 HydrophobicContact CG-CD1 4.25Å; Y179-I261 HydrophobicContact CG-CG1 4.38Å; Y179-I265 HydrophobicContact CD1-CD1 4.43Å; Y179-I265 HydrophobicContact CE1-CD1 4.01Å; Y179-I265 HydrophobicContact CE2-CD1 4.18Å; Y179-I280 WeakPolarHBondContact OH-CD1 3.5Å
180A85.7Confident84.1Confident7 Ų736.7 Ų36.76%0.05821%0.213CC..EExtended strand (participates in β ladder)trans-147.492.417200000110.4L146 V177 L192 V193L146-A180 HydrophobicContact CB-CB 4.46Å; L146-A180 PolarHBondContact N-O 3.1Å; V177-A180 HydrophobicContact CG1-CB 4.36Å; A180-L192 CarbonylContact C-O 3.47Å; A180-L192 VanDerWaalsContact CA-O 3.32Å; A180-L192 WeakPolarHBondContact CA-O 3.2Å; A180-V193 HydrophobicContact CB-CG2 4.11Å
181A81.7Confident83.9Confident2 Ų235.6 Ų35.62%0.01721%0.207CC..EExtended strand (participates in β ladder)trans-104129-175.400000111.9I191 L192 I261 I265A181-I191 CarbonylContact O-C 3.55Å; A181-I191 VanDerWaalsContact O-CA 3.26Å; A181-I191 WeakPolarHBondContact O-CA 3.39Å; A181-L192 PolarHBondContact N-O 2.97Å; A181-L192 PolarHBondContact O-N 3.25Å; A181-I261 HydrophobicContact CB-CD1 3.79Å; A181-I261 HydrophobicContact CB-CG2 4.25Å; A181-I265 HydrophobicContact CB-CG2 4.02Å
182K84.1Confident83.6Confident51 Ų5135.4 Ų35.422%0.22221%0.207CC..EExtended strand (participates in β ladder)trans-93.1113.3167.9-174.7166.9-174.7166.30109.9A184 G186 I191K182-A184 WeakPolarHBondContact CE-O 3.45Å; K182-A184 VanDerWaalsContact CG-O 3.31Å; K182-A184 WeakPolarHBondContact CG-O 3.09Å; K182-G186 WeakPolarHBondContact CE-O 3.11Å; K182-G186 PolarHBondContact NZ-O 2.93Å; K182-I191 HydrophobicContact CB-CG1 4.33Å; K182-I191 HydrophobicContact CG-CG1 4.17Å
183C80.8Confident83.5Confident15 Ų1534.5 Ų34.510%0.10120%0.203CC..  trans-89.3-14-170.6-66.40000115.1P190 C266 L277C183-P190 HydrophobicContact CB-CG 4.14Å; C183-P190 WeakPolarHBondContact CB-O 2.97Å; C183-P190 PolarHBondContact N-O 3.12Å; C183-C266 WeakPolarHBondContact CA-SG 3.44Å; C183-C266 HydrophobicContact CB-CB 3.5Å; C183-C266 VanDerWaalsContact CB-CB 3.5Å; C183-C266 WeakPolarHBondContact CB-SG 3.46Å; C183-C266 WeakPolarHBondContact SG-CB 3.46Å; C183-C266 CovalentContact SG-SG 2.03Å; C183-C266 PolarHBondContact SG-SG 2.85Å; C183-L277 HydrophobicContact CB-CD1 3.55Å; C183-L277 WeakPolarHBondContact SG-CD1 3.28Å
184A78.2Confident83.3Confident25 Ų2535.3 Ų35.321%0.20721%0.206CC..SBendtrans-147.3157.9170.900000111.1K182K182-A184 WeakPolarHBondContact CE-O 3.45Å; K182-A184 VanDerWaalsContact CG-O 3.31Å; K182-A184 WeakPolarHBondContact CG-O 3.09Å
185P70.6Confident83.3Confident64 Ų6433.9 Ų33.942%0.41620%0.197SC..SBendtrans-70.9166.81783.59000112.3Q141Q141-P185 HydrophobicContact CB-CG 4.23Å; Q141-P185 HydrophobicContact CG-CG 4.04Å
186G71.3Confident83.4Confident38 Ų3833.2 Ų33.239%0.39219%0.188SC..SBendtrans79.3-179.6175.800000114.1K182 Q188K182-G186 WeakPolarHBondContact CE-O 3.11Å; K182-G186 PolarHBondContact NZ-O 2.93Å; G186-Q188 VanDerWaalsContact C-N 3.31Å
187P73.5Confident83.8Confident67 Ų6729 Ų2944%0.43517%0.169SC..THydrogen-bonded Turntrans-78.4-15.5-176.931.1-35.4000113.4L234P187-L234 HydrophobicContact CB-CD1 3.62Å
188Q76.1Confident84Confident170 Ų17029.6 Ų29.679%0.79417%0.168SC*.THydrogen-bonded Turntrans-93.5-6.6177.7-59.9-174.312.600112.7G186 T232G186-Q188 VanDerWaalsContact C-N 3.31Å; Q188-T232 WeakPolarHBondContact O-CG2 3.33Å
189G82.3Confident84.6Confident4 Ų429.1 Ų29.14%0.04116%0.163CC..SBendtrans-67128.3-178.100000111.3
190P87.8Confident85.1Confident20 Ų2028 Ų2813%0.1316%0.159CC..  trans-66141.1-178.324.8-30.1000110.5C183 G231 M242 L277C183-P190 HydrophobicContact CB-CG 4.14Å; C183-P190 WeakPolarHBondContact CB-O 2.97Å; C183-P190 PolarHBondContact N-O 3.12Å; P190-G231 CarbonylContact C-O 3.47Å; P190-G231 WeakPolarHBondContact CA-O 3.43Å; P190-M242 HydrophobicContact CB-SD 4.47Å; P190-L277 HydrophobicContact CB-CD1 4.04Å; P190-L277 HydrophobicContact CG-CD1 3.72Å; P190-L277 HydrophobicContact CG-CG 4.23Å
191I89.1Confident85.5Confident2 Ų230.7 Ų30.71%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-116.1133.4177.1-60.5161.6000107.1L146 L154 A181 K182 V193 W229 Q230 G231 A233L146-I191 HydrophobicContact CD1-CD1 4.17Å; L146-I191 HydrophobicContact CD1-CG2 3.69Å; L154-I191 HydrophobicContact CD2-CD1 4.23Å; L154-I191 HydrophobicContact CD2-CG2 4.11Å; A181-I191 CarbonylContact O-C 3.55Å; A181-I191 VanDerWaalsContact O-CA 3.26Å; A181-I191 WeakPolarHBondContact O-CA 3.39Å; K182-I191 HydrophobicContact CB-CG1 4.33Å; K182-I191 HydrophobicContact CG-CG1 4.17Å; I191-V193 HydrophobicContact CG2-CG2 3.85Å; I191-W229 HydrophobicContact CB-CZ3 3.94Å; I191-W229 HydrophobicContact CG2-CZ3 4.05Å; I191-Q230 WeakPolarHBondContact O-CA 3.37Å; I191-G231 PolarHBondContact N-O 2.82Å; I191-G231 PolarHBondContact O-N 3.19Å; I191-A233 HydrophobicContact CD1-CB 3.55Å
192L89.2Confident86Confident0 Ų031.9 Ų31.90%019%0.189CC..EExtended strand (participates in β ladder)trans-109127173.5-61.1176.6000108.7Y179 A180 A181 W229 Q230 I265 L277Y179-L192 HydrophobicContact CE2-CB 3.86Å; A180-L192 CarbonylContact C-O 3.47Å; A180-L192 VanDerWaalsContact CA-O 3.32Å; A180-L192 WeakPolarHBondContact CA-O 3.2Å; A181-L192 PolarHBondContact N-O 2.97Å; A181-L192 PolarHBondContact O-N 3.25Å; L192-W229 WeakPolarHBondContact CA-O 3.37Å; L192-Q230 HydrophobicContact CD2-CB 3.79Å; L192-Q230 HydrophobicContact CD2-CG 3.66Å; L192-I265 HydrophobicContact CD1-CG2 4.5Å; L192-L277 HydrophobicContact CD1-CD1 4.19Å; L192-L277 HydrophobicContact CG-CD1 4.33Å
193V90.4Very high86.4Confident0 Ų034.1 Ų34.10%020%0.199CC..EExtended strand (participates in β ladder)trans-129.6135.5177.8-177.10000109L154 I158 V177 Y179 A180 I191 L195 I228 W229L154-V193 HydrophobicContact CD2-CG2 4.44Å; I158-V193 HydrophobicContact CD1-CB 3.93Å; I158-V193 HydrophobicContact CD1-CG1 4.1Å; I158-V193 HydrophobicContact CD1-CG2 3.74Å; V177-V193 HydrophobicContact CG1-CG1 4.4Å; Y179-V193 VanDerWaalsContact O-CA 3.3Å; Y179-V193 WeakPolarHBondContact O-CA 3.33Å; A180-V193 HydrophobicContact CB-CG2 4.11Å; I191-V193 HydrophobicContact CG2-CG2 3.85Å; V193-L195 HydrophobicContact CG1-CD2 3.59Å; V193-L195 HydrophobicContact CG1-CG 3.99Å; V193-I228 CarbonylContact O-C 3.59Å; V193-I228 WeakPolarHBondContact O-CA 3.3Å; V193-W229 HydrophobicContact CB-CB 4.48Å; V193-W229 HydrophobicContact CB-CE3 4.21Å; V193-W229 HydrophobicContact CG2-CE3 3.88Å; V193-W229 HydrophobicContact CG2-CZ3 4.23Å; V193-W229 PolarHBondContact N-O 3.22Å; V193-W229 PolarHBondContact O-N 3.38Å
194E90.3Very high86.8Confident26 Ų2634.2 Ų34.212%0.12120%0.201CC..EExtended strand (participates in β ladder)trans-119.4125.8166.8-174.9-179.2-173.700109.9V177 L178 Y179 C227 I228 Y247V177-E194 CarbonylContact C-O 3.51Å; L178-E194 HydrophobicContact CB-CB 4.16Å; L178-E194 HydrophobicContact CB-CG 4.2Å; L178-E194 VanDerWaalsContact CD1-CD 3.46Å; L178-E194 HydrophobicContact CD1-CG 3.85Å; L178-E194 WeakPolarHBondContact CD1-OE1 3.2Å; L178-E194 HydrophobicContact CG-CG 4.42Å; L178-E194 PolarHBondContact N-O 2.79Å; Y179-E194 HydrophobicContact CD1-CB 3.68Å; Y179-E194 HydrophobicContact CD2-CB 4.44Å; Y179-E194 HydrophobicContact CE1-CB 3.31Å; Y179-E194 HydrophobicContact CE1-CG 4.25Å; Y179-E194 WeakPolarHBondContact CE1-OE2 3.4Å; Y179-E194 HydrophobicContact CE2-CB 4.09Å; Y179-E194 HydrophobicContact CG-CB 4.2Å; Y179-E194 VanDerWaalsContact CZ-CB 3.49Å; Y179-E194 PolarHBondContact N-O 3.34Å; Y179-E194 PolarHBondContact O-N 2.9Å; E194-C227 WeakPolarHBondContact CA-O 3.46Å; E194-I228 HydrophobicContact CB-CG1 4.3Å; E194-I228 HydrophobicContact CG-CG1 3.86Å; E194-Y247 PolarHBondContact OE1-OH 3.29Å
195L91.9Very high87.2Confident1 Ų138.6 Ų38.61%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-112.7131.3179.5-55.2-176.6000109.5V155 I158 T174 V177 V193 M197 S226 C227V155-L195 HydrophobicContact CG1-CD1 4.42Å; V155-L195 HydrophobicContact CG1-CD2 3.97Å; V155-L195 HydrophobicContact CG2-CD2 4.23Å; I158-L195 HydrophobicContact CB-CD1 4.25Å; I158-L195 HydrophobicContact CG2-CD1 3.63Å; T174-L195 HydrophobicContact CG2-CD2 4.15Å; V177-L195 HydrophobicContact CB-CD2 4.21Å; V177-L195 HydrophobicContact CG1-CD2 4.04Å; V177-L195 HydrophobicContact CG2-CD2 3.82Å; V193-L195 HydrophobicContact CG1-CD2 3.59Å; V193-L195 HydrophobicContact CG1-CG 3.99Å; L195-M197 HydrophobicContact CB-CG 3.95Å; L195-M197 HydrophobicContact CB-SD 4.38Å; L195-S226 CarbonylContact O-C 3.55Å; L195-S226 WeakPolarHBondContact O-CA 3.39Å; L195-C227 PolarHBondContact N-O 3.34Å; L195-C227 PolarHBondContact O-N 3.13Å
196K91.2Very high87.9Confident16 Ų1639.9 Ų39.97%0.0722%0.224CC..EExtended strand (participates in β ladder)trans-94.5114.2162-173.4173.4-179.2178.60107.5A175 H176 L178 Y224A175-K196 WeakPolarHBondContact CB-O 3.2Å; A175-K196 PolarHBondContact N-O 2.88Å; H176-K196 HydrophobicContact CB-CB 4.28Å; H176-K196 PolarHBondContact N-O 3.49Å; H176-K196 PolarHBondContact O-N 3.25Å; L178-K196 HydrophobicContact CG-CB 4.38Å; K196-Y224 HydrophobicContact CD-CD1 4.32Å; K196-Y224 HydrophobicContact CG-CD1 3.98Å
197M92.9Very high88.5Confident0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-112.4141.9-174.9-52.2168.763.900110.1E159 M162 N163 Y172 A173 L195 Y224 I225 C227E159-M197 HydrophobicContact CG-CE 3.78Å; M162-M197 HydrophobicContact CB-CE 4.14Å; M162-M197 HydrophobicContact CB-SD 4.12Å; M162-M197 HydrophobicContact CG-SD 4.37Å; N163-M197 WeakPolarHBondContact ND2-CE 3.48Å; Y172-M197 WeakPolarHBondContact O-CE 3.19Å; A173-M197 CarbonylContact O-C 3.49Å; A173-M197 VanDerWaalsContact O-CA 3.27Å; A173-M197 WeakPolarHBondContact O-CA 3.46Å; L195-M197 HydrophobicContact CB-CG 3.95Å; L195-M197 HydrophobicContact CB-SD 4.38Å; M197-Y224 WeakPolarHBondContact O-CA 3.16Å; M197-I225 HydrophobicContact CB-CD1 4.28Å; M197-I225 HydrophobicContact CB-CG1 3.81Å; M197-I225 PolarHBondContact N-O 2.95Å; M197-I225 PolarHBondContact O-N 3.01Å; M197-I225 HydrophobicContact SD-CD1 4.4Å; M197-C227 HydrophobicContact SD-CB 3.95Å
198R92.9Very high88.9Confident40 Ų4039 Ų3915%0.15121%0.212CC..EExtended strand (participates in β ladder)trans-115.7137.6-178.9-177.7178175.1-176-1.6110.5Y172 A173 A175 F218 I219 D220 R223 Y224Y172-R198 WeakPolarHBondContact CA-O 3.26Å; A173-R198 PolarHBondContact N-O 2.77Å; A173-R198 PolarHBondContact O-N 2.81Å; A175-R198 HydrophobicContact CB-CB 4.13Å; R198-F218 HydrophobicContact CB-CD1 3.71Å; R198-F218 HydrophobicContact CB-CE1 3.68Å; R198-F218 HydrophobicContact CG-CB 4.44Å; R198-F218 HydrophobicContact CG-CD1 3.6Å; R198-F218 HydrophobicContact CG-CE1 4.12Å; R198-F218 HydrophobicContact CG-CG 4.18Å; R198-I219 PolarHBondContact NH2-O 2.8Å; R198-D220 IonicContact CZ-OD1 3.96Å; R198-D220 IonicContact NH2-OD1 2.71Å; R198-D220 PolarHBondContact NH2-OD1 2.87Å; R198-R223 WeakPolarHBondContact CA-O 2.96Å; R198-Y224 HydrophobicContact CB-CD1 3.94Å; R198-Y224 HydrophobicContact CB-CE1 3.81Å; R198-Y224 HydrophobicContact CG-CD1 4.36Å; R198-Y224 HydrophobicContact CG-CE1 4.04Å
199K93.9Very high89.1Confident39 Ų3936.7 Ų36.717%0.1721%0.209CC..EExtended strand (participates in β ladder)trans-61.9134.3179.1-164.5179.1-175.81790111.5N170 Y172 I219 R223N170-K199 HydrophobicContact CB-CD 4.32Å; N170-K199 HydrophobicContact CB-CG 3.94Å; N170-K199 WeakPolarHBondContact ND2-CE 3.37Å; Y172-K199 HydrophobicContact CD1-CB 4.07Å; Y172-K199 HydrophobicContact CE1-CB 3.61Å; Y172-K199 HydrophobicContact CE1-CG 4.16Å; Y172-K199 HydrophobicContact CE2-CB 4.34Å; Y172-K199 HydrophobicContact CE2-CD 4.49Å; Y172-K199 HydrophobicContact CE2-CG 4Å; K199-I219 HydrophobicContact CD-CD1 4.4Å; K199-I219 HydrophobicContact CG-CD1 4.31Å; K199-I219 PolarHBondContact O-N 2.71Å; K199-R223 HydrophobicContact CB-CB 4.02Å; K199-R223 HydrophobicContact CD-CB 4.46Å; K199-R223 PolarHBondContact N-O 3.16Å
200T94.2Very high89Confident0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-114.3167.8177.979.50000112.4N170 Y171 A173 C202 C216 V217 F218 I219N170-T200 PolarHBondContact ND2-O 2.9Å; Y171-T200 PolarHBondContact O-N 2.83Å; Y171-T200 PolarHBondContact O-OG1 2.81Å; A173-T200 HydrophobicContact CB-CG2 3.67Å; T200-C202 VanDerWaalsContact C-N 3.27Å; T200-C202 PolarHBondContact OG1-N 2.78Å; T200-C216 HydrophobicContact CG2-CB 3.98Å; T200-V217 CarbonylContact C-O 3.43Å; T200-V217 VanDerWaalsContact CA-O 3.3Å; T200-V217 WeakPolarHBondContact CA-O 3.49Å; T200-V217 WeakPolarHBondContact CB-O 3.23Å; T200-F218 HydrophobicContact CG2-CD1 3.86Å; T200-F218 HydrophobicContact CG2-CE1 4.03Å; T200-I219 WeakPolarHBondContact O-CD1 3Å
201A92.7Very high88.6Confident65 Ų6542.5 Ų42.554%0.53725%0.245SC..EExtended strand (participates in β ladder)trans-74.6-16.5175.400000113.1V217 I219A201-V217 PolarHBondContact N-O 3.32Å; A201-I219 HydrophobicContact CB-CG1 4.22Å
202C92.5Very high88.3Confident26 Ų2644.5 Ų44.518%0.17626%0.258CS..EExtended strand (participates in β ladder)trans-66.6144.1176.8-73.30000111.7N170 Y171 T200 V207 C216N170-C202 WeakPolarHBondContact CA-O 3.18Å; Y171-C202 PolarHBondContact N-O 3.41Å; T200-C202 VanDerWaalsContact C-N 3.27Å; T200-C202 PolarHBondContact OG1-N 2.78Å; C202-V207 HydrophobicContact CB-CG2 3.95Å; C202-C216 HydrophobicContact CB-CB 3.88Å; C202-C216 WeakPolarHBondContact CB-SG 3.4Å; C202-C216 WeakPolarHBondContact SG-CA 3.42Å; C202-C216 WeakPolarHBondContact SG-CB 3.34Å; C202-C216 CovalentContact SG-SG 2.03Å; C202-C216 PolarHBondContact SG-SG 3.18Å
203K92Very high87.9Confident98 Ų9845.7 Ų45.743%0.42627%0.266SS..EExtended strand (participates in β ladder)trans-76.6136.3166.7-67.1-66.3-170.6175.20110.1D169 N205 L206D169-K203 WeakPolarHBondContact O-CA 3.49Å; D169-K203 VanDerWaalsContact O-CD 3.31Å; D169-K203 WeakPolarHBondContact O-CD 3.49Å; K203-N205 VanDerWaalsContact CB-OD1 3.24Å; K203-N205 WeakPolarHBondContact CB-OD1 3.46Å; K203-N205 PolarHBondContact O-N 3.31Å; K203-L206 HydrophobicContact CB-CD1 3.97Å; K203-L206 HydrophobicContact CB-CG 4.1Å; K203-L206 HydrophobicContact CG-CD1 4.43Å; K203-L206 PolarHBondContact O-N 3.19Å
204A89.7Confident87.6Confident18 Ų1852.3 Ų52.315%0.14930%0.301CS..THydrogen-bonded Turntrans-60.6-31.1-174.700000113.3Q168 D169 L206 P208Q168-A204 VanDerWaalsContact O-CB 3.22Å; Q168-A204 WeakPolarHBondContact O-CB 3.49Å; D169-A204 PolarHBondContact O-N 3.05Å; A204-L206 VanDerWaalsContact C-N 3.35Å; A204-P208 WeakPolarHBondContact O-CD 3.24Å
205N86.2Confident87.3Confident116 Ų11657.5 Ų57.562%0.6233%0.33SS*.THydrogen-bonded Turntrans-75.5-17.5178.166.2-19.6000114.5K203K203-N205 VanDerWaalsContact CB-OD1 3.24Å; K203-N205 WeakPolarHBondContact CB-OD1 3.46Å; K203-N205 PolarHBondContact O-N 3.31Å
206L85.4Confident87.1Confident92 Ų9258.1 Ų58.148%0.48233%0.334SS..THydrogen-bonded Turntrans-85.3-32.9-179.5-68.4176.4000112.3K203 A204 V209 L210K203-L206 HydrophobicContact CB-CD1 3.97Å; K203-L206 HydrophobicContact CB-CG 4.1Å; K203-L206 HydrophobicContact CG-CD1 4.43Å; K203-L206 PolarHBondContact O-N 3.19Å; A204-L206 VanDerWaalsContact C-N 3.35Å; L206-V209 WeakPolarHBondContact O-CA 3.41Å; L206-V209 WeakPolarHBondContact O-CB 3.36Å; L206-V209 PolarHBondContact O-N 2.82Å; L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 2.93Å
207V84.8Confident87.1Confident3 Ų362.4 Ų62.42%0.01836%0.361CS..Hα-helixtrans-62-42.9-175.6178.40000113.2Y171 C202 V209 L210 G211Y171-V207 HydrophobicContact CD1-CG2 4.08Å; Y171-V207 HydrophobicContact CD2-CB 3.71Å; Y171-V207 HydrophobicContact CD2-CG1 4.02Å; Y171-V207 HydrophobicContact CD2-CG2 3.63Å; Y171-V207 HydrophobicContact CE1-CG1 4.17Å; Y171-V207 HydrophobicContact CE2-CB 3.76Å; Y171-V207 HydrophobicContact CE2-CG1 3.58Å; Y171-V207 HydrophobicContact CE2-CG2 4.1Å; Y171-V207 HydrophobicContact CG-CB 4.2Å; Y171-V207 HydrophobicContact CG-CG1 4.46Å; Y171-V207 HydrophobicContact CG-CG2 3.6Å; C202-V207 HydrophobicContact CB-CG2 3.95Å; V207-V209 PolarHBondContact O-N 3.47Å; V207-L210 PolarHBondContact O-N 3.02Å; V207-G211 PolarHBondContact O-N 2.78Å
208P80.5Confident87.1Confident84 Ų8466.1 Ų66.155%0.54538%0.378SS..Hα-helixtrans-59.1-28.9173.2-25.635.1000113.8A204A204-P208 WeakPolarHBondContact O-CD 3.24Å
209V81.8Confident87Confident120 Ų12066.8 Ų66.873%0.72738%0.384SS*.Hα-helixtrans-77.2-40.5177.8-176.80000111.1L206 V207 G211L206-V209 WeakPolarHBondContact O-CA 3.41Å; L206-V209 WeakPolarHBondContact O-CB 3.36Å; L206-V209 PolarHBondContact O-N 2.82Å; V207-V209 PolarHBondContact O-N 3.47Å; V209-G211 VanDerWaalsContact C-N 3.3Å
210L79.8Confident86.6Confident111 Ų11170.9 Ų70.958%0.58141%0.407SS*.Hα-helixtrans-72.9-23.9177.8-65.8172.3000112.6L206 V207 T212L206-L210 WeakPolarHBondContact O-CG 3.46Å; L206-L210 PolarHBondContact O-N 2.93Å; V207-L210 PolarHBondContact O-N 3.02Å; L210-T212 PolarHBondContact O-N 3.46Å
211G79.6Confident86.3Confident35 Ų3575.6 Ų75.636%0.36144%0.438SS..SBendtrans78.8-9179.200000114.7R160 V207 V209R160-G211 PolarHBondContact NH2-O 3.41Å; V207-G211 PolarHBondContact O-N 2.78Å; V209-G211 VanDerWaalsContact C-N 3.3Å
212T81.3Confident86Confident45 Ų4574.8 Ų74.828%0.27643%0.428SS..  trans-143152.1176.7-178.70000111.6L210 D214L210-T212 PolarHBondContact O-N 3.46Å; T212-D214 WeakPolarHBondContact OG1-CB 3.37Å; T212-D214 PolarHBondContact OG1-N 2.73Å; T212-D214 VanDerWaalsContact OG1-N 3.08Å; T212-D214 PolarHBondContact OG1-OD2 3.14Å
213S82.8Confident85.9Confident24 Ų2480.9 Ų80.917%0.16845%0.447CS..  trans-101.94.3171.553.20000113.1E159 Y171 D215 C216E159-S213 PolarHBondContact OE1-OG 3.34Å; Y171-S213 VanDerWaalsContact CE1-CB 3.43Å; S213-D215 VanDerWaalsContact C-N 3.28Å; S213-D215 PolarHBondContact O-N 3.17Å; S213-C216 WeakPolarHBondContact O-CB 3.26Å; S213-C216 PolarHBondContact O-N 3.25Å
214D82.3Confident85.8Confident139 Ų13977.9 Ų77.974%0.74343%0.433SS*.THydrogen-bonded Turntrans-61.1-33.8-173.5-62.5-33.5000113.4T212 C216T212-D214 WeakPolarHBondContact OG1-CB 3.37Å; T212-D214 PolarHBondContact OG1-N 2.73Å; T212-D214 VanDerWaalsContact OG1-N 3.08Å; T212-D214 PolarHBondContact OG1-OD2 3.14Å; D214-C216 PolarHBondContact O-N 2.88Å
215D84Confident86Confident135 Ų13577.1 Ų77.172%0.72243%0.427SS*.THydrogen-bonded Turntrans-80-2.2178.5-64.1-40.4000113.1S213 V217S213-D215 VanDerWaalsContact C-N 3.28Å; S213-D215 PolarHBondContact O-N 3.17Å; D215-V217 PolarHBondContact O-N 3.13Å
216C88.7Confident86.3Confident14 Ų1471.6 Ų71.610%0.09540%0.397CS..  trans-80.7109.2-176.5-64.80000112T200 C202 S213 D214T200-C216 HydrophobicContact CG2-CB 3.98Å; C202-C216 HydrophobicContact CB-CB 3.88Å; C202-C216 WeakPolarHBondContact CB-SG 3.4Å; C202-C216 WeakPolarHBondContact SG-CA 3.42Å; C202-C216 WeakPolarHBondContact SG-CB 3.34Å; C202-C216 CovalentContact SG-SG 2.03Å; C202-C216 PolarHBondContact SG-SG 3.18Å; S213-C216 WeakPolarHBondContact O-CB 3.26Å; S213-C216 PolarHBondContact O-N 3.25Å; D214-C216 PolarHBondContact O-N 2.88Å
217V91.5Very high86.8Confident106 Ų10667.3 Ų67.364%0.64237%0.374SS*.PPolyproline II helixtrans-73.1132.1176.3-173.60000110.8T200 A201 D215T200-V217 CarbonylContact C-O 3.43Å; T200-V217 VanDerWaalsContact CA-O 3.3Å; T200-V217 WeakPolarHBondContact CA-O 3.49Å; T200-V217 WeakPolarHBondContact CB-O 3.23Å; A201-V217 PolarHBondContact N-O 3.32Å; D215-V217 PolarHBondContact O-N 3.13Å
218F91.9Very high87.2Confident79 Ų7967.1 Ų67.135%0.34637%0.374SS..BIsolated β-bridgetrans-65.3140.3173.9-68.1-58.3000111.9A173 R198 T200A173-F218 HydrophobicContact CB-CE1 3.97Å; A173-F218 HydrophobicContact CB-CZ 4.41Å; R198-F218 HydrophobicContact CB-CD1 3.71Å; R198-F218 HydrophobicContact CB-CE1 3.68Å; R198-F218 HydrophobicContact CG-CB 4.44Å; R198-F218 HydrophobicContact CG-CD1 3.6Å; R198-F218 HydrophobicContact CG-CE1 4.12Å; R198-F218 HydrophobicContact CG-CG 4.18Å; T200-F218 HydrophobicContact CG2-CD1 3.86Å; T200-F218 HydrophobicContact CG2-CE1 4.03Å
219I90.8Very high87.9Confident53 Ų5363.2 Ų63.227%0.27235%0.348SS..PPolyproline II helixtrans-83.1142.5177.3-66.5175000110.4N170 R198 K199 T200 A201 P221N170-I219 VanDerWaalsContact ND2-CD1 3.32Å; N170-I219 WeakPolarHBondContact ND2-CD1 3.48Å; R198-I219 PolarHBondContact NH2-O 2.8Å; K199-I219 HydrophobicContact CD-CD1 4.4Å; K199-I219 HydrophobicContact CG-CD1 4.31Å; K199-I219 PolarHBondContact O-N 2.71Å; T200-I219 WeakPolarHBondContact O-CD1 3Å; A201-I219 HydrophobicContact CB-CG1 4.22Å; I219-P221 CarbonylContact O-C 3.5Å
220D87Confident88.5Confident125 Ų12557.6 Ų57.667%0.66831%0.314SS*.SBendtrans-104.8139.2164.9-67.1-45.8000111.1R198R198-D220 IonicContact CZ-OD1 3.96Å; R198-D220 IonicContact NH2-OD1 2.71Å; R198-D220 PolarHBondContact NH2-OD1 2.87Å
221P86.9Confident89.1Confident100 Ų10052.3 Ų52.365%0.64929%0.286SS*.SBendcis-68.9152.5-4.230.3-35.5000112.1I219 R223I219-P221 CarbonylContact O-C 3.5Å; P221-R223 PolarHBondContact O-N 3.44Å
222P86.5Confident89.7Confident48 Ų4851 Ų5131%0.31227%0.271SS..  trans-61131.9-176.324.6-34.2000111.5Y224P222-Y224 HydrophobicContact CB-CD2 4.32Å; P222-Y224 HydrophobicContact CB-CE2 3.59Å; P222-Y224 HydrophobicContact CG-CE2 4.29Å
223R90.2Very high90.2Very high154 Ų15449.3 Ų49.358%0.58126%0.262SS*.  trans-120.4118.3171.3-68.3-170.8179.6-168.71.5109.7R198 K199 P221R198-R223 WeakPolarHBondContact CA-O 2.96Å; K199-R223 HydrophobicContact CB-CB 4.02Å; K199-R223 HydrophobicContact CD-CB 4.46Å; K199-R223 PolarHBondContact N-O 3.16Å; P221-R223 PolarHBondContact O-N 3.44Å
224Y90.9Very high90.4Very high34 Ų3452.4 Ų52.413%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-108.3146.1-177.3-65.3-81000112.3A175 K196 M197 R198 P222 H249A175-Y224 HydrophobicContact CB-CE1 4.21Å; K196-Y224 HydrophobicContact CD-CD1 4.32Å; K196-Y224 HydrophobicContact CG-CD1 3.98Å; M197-Y224 WeakPolarHBondContact O-CA 3.16Å; R198-Y224 HydrophobicContact CB-CD1 3.94Å; R198-Y224 HydrophobicContact CB-CE1 3.81Å; R198-Y224 HydrophobicContact CG-CD1 4.36Å; R198-Y224 HydrophobicContact CG-CE1 4.04Å; P222-Y224 HydrophobicContact CB-CD2 4.32Å; P222-Y224 HydrophobicContact CB-CE2 3.59Å; P222-Y224 HydrophobicContact CG-CE2 4.29Å; Y224-H249 PolarHBondContact O-N 3Å
225I93.5Very high90.5Very high3 Ų351.8 Ų51.82%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-126.8150164.664.8177.5000108.4L166 Y172 M197 Y247 L293L166-I225 HydrophobicContact CD1-CD1 3.33Å; L166-I225 HydrophobicContact CD2-CD1 4.02Å; L166-I225 HydrophobicContact CG-CD1 4.34Å; Y172-I225 HydrophobicContact CD1-CD1 3.58Å; Y172-I225 HydrophobicContact CD1-CG1 3.66Å; Y172-I225 HydrophobicContact CD1-CG2 4.21Å; Y172-I225 HydrophobicContact CD2-CD1 4.31Å; Y172-I225 HydrophobicContact CE1-CB 4.45Å; Y172-I225 HydrophobicContact CE1-CD1 4.06Å; Y172-I225 HydrophobicContact CE1-CG1 4.06Å; Y172-I225 HydrophobicContact CE1-CG2 3.69Å; Y172-I225 HydrophobicContact CG-CD1 3.72Å; Y172-I225 HydrophobicContact CG-CG1 4.29Å; M197-I225 HydrophobicContact CB-CD1 4.28Å; M197-I225 HydrophobicContact CB-CG1 3.81Å; M197-I225 PolarHBondContact N-O 2.95Å; M197-I225 PolarHBondContact O-N 3.01Å; M197-I225 HydrophobicContact SD-CD1 4.4Å; I225-Y247 WeakPolarHBondContact CA-O 3.4Å; I225-L293 HydrophobicContact CB-CD1 4.06Å; I225-L293 HydrophobicContact CG2-CD1 3.47Å; I225-L293 VanDerWaalsContact CG2-CD1 3.47Å
226S92.6Very high90.5Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-105.5129.9168.8-74.20000108.2L195 C246 Y247 H249L195-S226 CarbonylContact O-C 3.55Å; L195-S226 WeakPolarHBondContact O-CA 3.39Å; S226-C246 CarbonylContact O-C 3.56Å; S226-C246 VanDerWaalsContact O-CA 3.23Å; S226-C246 WeakPolarHBondContact O-CA 3.18Å; S226-Y247 PolarHBondContact N-O 3.1Å; S226-Y247 PolarHBondContact O-N 3.25Å; S226-H249 PolarHBondContact OG-ND1 3.45Å
227C95.3Very high90.6Very high1 Ų151.6 Ų51.61%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-125.4122.5177.4-74.60000110.3M162 E194 L195 M197 M245 C246M162-C227 HydrophobicContact CG-CB 4.09Å; M162-C227 HydrophobicContact SD-CB 3.95Å; E194-C227 WeakPolarHBondContact CA-O 3.46Å; L195-C227 PolarHBondContact N-O 3.34Å; L195-C227 PolarHBondContact O-N 3.13Å; M197-C227 HydrophobicContact SD-CB 3.95Å; C227-M245 CarbonylContact C-O 3.59Å; C227-M245 VanDerWaalsContact CA-O 3.32Å; C227-M245 WeakPolarHBondContact CA-O 3.38Å; C227-C246 HydrophobicContact CB-CB 4.23Å; C227-C246 WeakPolarHBondContact CB-SG 3.5Å; C227-C246 WeakPolarHBondContact SG-CB 3.12Å; C227-C246 CovalentContact SG-SG 2.05Å; C227-C246 PolarHBondContact SG-SG 3.08Å
228I93.4Very high90.6Very high0 Ų049.1 Ų49.10%025%0.248CC..EExtended strand (participates in β ladder)trans-103.6124.7176.7-58165.7000107.7V193 E194 V244 M245 Y247 L279 I280 P282V193-I228 CarbonylContact O-C 3.59Å; V193-I228 WeakPolarHBondContact O-CA 3.3Å; E194-I228 HydrophobicContact CB-CG1 4.3Å; E194-I228 HydrophobicContact CG-CG1 3.86Å; I228-V244 CarbonylContact O-C 3.54Å; I228-V244 WeakPolarHBondContact O-CA 3.3Å; I228-M245 PolarHBondContact N-O 3.24Å; I228-M245 PolarHBondContact O-N 3.48Å; I228-Y247 HydrophobicContact CD1-CE1 3.98Å; I228-Y247 HydrophobicContact CG1-CE1 4.44Å; I228-L279 HydrophobicContact CB-CD1 4.47Å; I228-L279 HydrophobicContact CG2-CD1 3.84Å; I228-I280 HydrophobicContact CD1-CB 4.13Å; I228-I280 HydrophobicContact CD1-CG2 4.16Å; I228-I280 WeakPolarHBondContact CD1-O 3.31Å; I228-I280 HydrophobicContact CG2-CB 4.25Å; I228-P282 HydrophobicContact CD1-CG 4.38Å
229W95.3Very high90.6Very high1 Ų150.4 Ų50.40%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-117.1138.2177.2-179.789.2000110.7L154 I158 M162 I191 L192 V193 G231 M238 T241L154-W229 HydrophobicContact CD1-CH2 4.15Å; L154-W229 HydrophobicContact CD1-CZ3 4.47Å; L154-W229 HydrophobicContact CD2-CZ3 4.35Å; I158-W229 HydrophobicContact CD1-CB 4.31Å; I158-W229 HydrophobicContact CD1-CD2 3.58Å; I158-W229 HydrophobicContact CD1-CE3 3.43Å; I158-W229 VanDerWaalsContact CD1-CE3 3.43Å; I158-W229 HydrophobicContact CD1-CG 3.99Å; I158-W229 HydrophobicContact CD1-CH2 4.43Å; I158-W229 HydrophobicContact CD1-CZ3 3.88Å; I158-W229 HydrophobicContact CG1-CD2 3.78Å; I158-W229 HydrophobicContact CG1-CE3 4.14Å; I158-W229 HydrophobicContact CG1-CG 3.98Å; I158-W229 HydrophobicContact CG1-CZ2 4.44Å; I158-W229 HydrophobicContact CG2-CB 3.81Å; I158-W229 HydrophobicContact CG2-CG 3.92Å; M162-W229 HydrophobicContact CE-CB 3.65Å; M162-W229 VanDerWaalsContact CE-CD1 3.45Å; M162-W229 HydrophobicContact CE-CG 3.91Å; I191-W229 HydrophobicContact CB-CZ3 3.94Å; I191-W229 HydrophobicContact CG2-CZ3 4.05Å; L192-W229 WeakPolarHBondContact CA-O 3.37Å; V193-W229 HydrophobicContact CB-CB 4.48Å; V193-W229 HydrophobicContact CB-CE3 4.21Å; V193-W229 HydrophobicContact CG2-CE3 3.88Å; V193-W229 HydrophobicContact CG2-CZ3 4.23Å; V193-W229 PolarHBondContact N-O 3.22Å; V193-W229 PolarHBondContact O-N 3.38Å; W229-G231 VanDerWaalsContact CH2-C 3.44Å; W229-G231 VanDerWaalsContact CH2-CA 3.43Å; W229-G231 VanDerWaalsContact CZ2-CA 3.48Å; W229-M238 HydrophobicContact CZ2-CG 3.81Å; W229-M238 HydrophobicContact CZ2-SD 4.02Å; W229-T241 PolarHBondContact NE1-OG1 2.94Å; W229-T241 VanDerWaalsContact NE1-OG1 3.08Å
230Q93.4Very high90.6Very high2 Ų255.2 Ų55.21%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-126.6129.1171.6178-173.34.600108.2I191 L192 M242 G243 L277 L279I191-Q230 WeakPolarHBondContact O-CA 3.37Å; L192-Q230 HydrophobicContact CD2-CB 3.79Å; L192-Q230 HydrophobicContact CD2-CG 3.66Å; Q230-M242 HydrophobicContact CG-CB 4.15Å; Q230-M242 WeakPolarHBondContact O-CA 3.47Å; Q230-M242 WeakPolarHBondContact O-CB 3.21Å; Q230-M242 PolarHBondContact O-N 2.91Å; Q230-G243 PolarHBondContact N-O 3.12Å; Q230-G243 PolarHBondContact O-N 3.33Å; Q230-L277 PolarHBondContact NE2-O 3.31Å; Q230-L279 HydrophobicContact CB-CD1 4.18Å
231G93.5Very high90.9Very high0 Ų051.6 Ų51.60%026%0.255CS..EExtended strand (participates in β ladder)trans-176.6-159.3177.200000113.8P190 I191 W229 R240P190-G231 CarbonylContact C-O 3.47Å; P190-G231 WeakPolarHBondContact CA-O 3.43Å; I191-G231 PolarHBondContact N-O 2.82Å; I191-G231 PolarHBondContact O-N 3.19Å; W229-G231 VanDerWaalsContact CH2-C 3.44Å; W229-G231 VanDerWaalsContact CH2-CA 3.43Å; W229-G231 VanDerWaalsContact CZ2-CA 3.48Å; G231-R240 CarbonylContact C-O 3.55Å; G231-R240 WeakPolarHBondContact CA-O 3.34Å
232T92.6Very high91.2Very high7 Ų749 Ų494%0.04324%0.235CC..EExtended strand (participates in β ladder)trans-125.7152.8175.361.60000110.8Q188 N239 R240 M242Q188-T232 WeakPolarHBondContact O-CG2 3.33Å; T232-N239 WeakPolarHBondContact O-CB 3.41Å; T232-N239 PolarHBondContact O-N 3.45Å; T232-R240 PolarHBondContact N-O 3Å; T232-R240 PolarHBondContact O-N 3.28Å; T232-M242 HydrophobicContact CG2-CE 3.66Å; T232-M242 HydrophobicContact CG2-SD 4.46Å
233A90.7Very high91.6Very high10 Ų1046.8 Ų46.88%0.08322%0.221CC..EExtended strand (participates in β ladder)trans-136.4148.4178.700000110.8L154 I191 K237L154-A233 HydrophobicContact CD1-CB 3.75Å; L154-A233 HydrophobicContact CD2-CB 4.05Å; L154-A233 HydrophobicContact CG-CB 4.47Å; I191-A233 HydrophobicContact CD1-CB 3.55Å; A233-K237 CarbonylContact C-O 3.39Å; A233-K237 WeakPolarHBondContact CA-O 3.25Å; A233-K237 WeakPolarHBondContact CB-O 3.37Å
234L88.1Confident91.9Very high90 Ų9039.6 Ų39.647%0.47119%0.194SC..EExtended strand (participates in β ladder)trans-124.3117.5175.1-17670.7000108.5P187 G236 K237P187-L234 HydrophobicContact CB-CD1 3.62Å; L234-G236 VanDerWaalsContact C-N 3.33Å; L234-G236 PolarHBondContact O-N 3.16Å; L234-K237 PolarHBondContact N-O 3.03Å; L234-K237 PolarHBondContact O-N 3.27Å
235N84.5Confident92.1Very high125 Ų12538 Ų3867%0.66819%0.188SC*.THydrogen-bonded Turntrans51.149.3-179.2-53.9-17.9000112.6K237N235-K237 PolarHBondContact O-N 3.36Å; N235-K237 VanDerWaalsContact O-N 3.13Å
236G83.5Confident92.2Very high6 Ų637.9 Ų37.96%0.06219%0.187CC..THydrogen-bonded Turntrans75.6-13.5-177.800000116.1E150 L153 L154 L234E150-G236 WeakPolarHBondContact O-CA 3.47Å; L153-G236 CarbonylContact C-O 3.38Å; L154-G236 WeakPolarHBondContact CA-O 3.48Å; L154-G236 VanDerWaalsContact CB-O 3.3Å; L154-G236 WeakPolarHBondContact CB-O 3.31Å; L154-G236 PolarHBondContact N-O 3.25Å; L234-G236 VanDerWaalsContact C-N 3.33Å; L234-G236 PolarHBondContact O-N 3.16Å
237K89.8Confident92.2Very high139 Ų13938.9 Ų38.960%0.60419%0.191SC*.EExtended strand (participates in β ladder)trans-90137178.7-66.5-170.1176-173.80112.1A233 L234 N235 N239A233-K237 CarbonylContact C-O 3.39Å; A233-K237 WeakPolarHBondContact CA-O 3.25Å; A233-K237 WeakPolarHBondContact CB-O 3.37Å; L234-K237 PolarHBondContact N-O 3.03Å; L234-K237 PolarHBondContact O-N 3.27Å; N235-K237 PolarHBondContact O-N 3.36Å; N235-K237 VanDerWaalsContact O-N 3.13Å; K237-N239 PolarHBondContact O-N 3.37Å
238M91.8Very high91.9Very high55 Ų5545.7 Ų45.727%0.27122%0.223SC..EExtended strand (participates in β ladder)trans-60.7124.9176.2-174.9176.168.400110.3L154 D157 D161 W229 T241L154-M238 HydrophobicContact CD1-CB 4.08Å; D157-M238 HydrophobicContact CB-CB 3.73Å; D157-M238 PolarHBondContact OD2-N 2.96Å; D161-M238 HydrophobicContact CB-CE 3.99Å; D161-M238 HydrophobicContact CB-SD 4.38Å; W229-M238 HydrophobicContact CZ2-CG 3.81Å; W229-M238 HydrophobicContact CZ2-SD 4.02Å; M238-T241 PolarHBondContact SD-OG1 3.33Å; M238-T241 VanDerWaalsContact SD-OG1 3.36Å
239N91.6Very high91.1Very high105 Ų10548.2 Ų48.256%0.56124%0.235SC*.EExtended strand (participates in β ladder)trans-102.9-48.9-179.8-179.726.9000111.4T232 K237T232-N239 WeakPolarHBondContact O-CB 3.41Å; T232-N239 PolarHBondContact O-N 3.45Å; K237-N239 PolarHBondContact O-N 3.37Å
240R92Very high89.3Confident154 Ų15453 Ų5358%0.58128%0.275SS*.EExtended strand (participates in β ladder)trans-149.8122-179.4-177.4-179.3177.6-1770.5111.6G231 T232G231-R240 CarbonylContact C-O 3.55Å; G231-R240 WeakPolarHBondContact CA-O 3.34Å; T232-R240 PolarHBondContact N-O 3Å; T232-R240 PolarHBondContact O-N 3.28Å
241T93.5Very high87.5Confident49 Ų4962.8 Ų62.830%0.30131%0.311SS..EExtended strand (participates in β ladder)trans-75.7126166.2-60.20000109.8D161 W229 M238 V244D161-T241 PolarHBondContact OD2-OG1 3.15Å; W229-T241 PolarHBondContact NE1-OG1 2.94Å; W229-T241 VanDerWaalsContact NE1-OG1 3.08Å; M238-T241 PolarHBondContact SD-OG1 3.33Å; M238-T241 VanDerWaalsContact SD-OG1 3.36Å; T241-V244 HydrophobicContact CG2-CG2 3.44Å; T241-V244 VanDerWaalsContact CG2-CG2 3.44Å
242M93.1Very high85.3Confident46 Ų4667.1 Ų67.123%0.22734%0.342CS..EExtended strand (participates in β ladder)trans-103.9-35.9177.9-70.1176.1168.300112.2P190 Q230 T232 L298P190-M242 HydrophobicContact CB-SD 4.47Å; Q230-M242 HydrophobicContact CG-CB 4.15Å; Q230-M242 WeakPolarHBondContact O-CA 3.47Å; Q230-M242 WeakPolarHBondContact O-CB 3.21Å; Q230-M242 PolarHBondContact O-N 2.91Å; T232-M242 HydrophobicContact CG2-CE 3.66Å; T232-M242 HydrophobicContact CG2-SD 4.46Å; M242-L298 HydrophobicContact CB-CD1 4.28Å; M242-L298 VanDerWaalsContact O-CA 3.31Å; M242-L298 WeakPolarHBondContact O-CA 3.16Å; M242-L298 WeakPolarHBondContact O-CB 3.49Å; M242-L298 PolarHBondContact O-N 3.36Å
243G94.8Very high83.3Confident2 Ų273.3 Ų73.32%0.02137%0.371CS..EExtended strand (participates in β ladder)trans-158.9146.1179.600000112.9Q230 K296Q230-G243 PolarHBondContact N-O 3.12Å; Q230-G243 PolarHBondContact O-N 3.33Å; G243-K296 CarbonylContact C-O 3.54Å; G243-K296 WeakPolarHBondContact CA-O 3.13Å
244V96.4Very high81.2Confident3 Ų380.3 Ų80.32%0.01841%0.406CS..EExtended strand (participates in β ladder)trans-141135.6179.9176.70000111.1M162 L165 I228 T241 L279 V294 K296M162-V244 HydrophobicContact CE-CB 4.16Å; M162-V244 HydrophobicContact CE-CG1 3.49Å; M162-V244 VanDerWaalsContact CE-CG1 3.49Å; M162-V244 HydrophobicContact CE-CG2 3.63Å; M162-V244 HydrophobicContact SD-CG1 3.3Å; M162-V244 WeakPolarHBondContact SD-CG1 3.37Å; M162-V244 HydrophobicContact SD-CG2 4.49Å; L165-V244 HydrophobicContact CD1-CB 4.19Å; L165-V244 HydrophobicContact CD1-CG1 3.95Å; L165-V244 HydrophobicContact CD1-CG2 3.92Å; I228-V244 CarbonylContact O-C 3.54Å; I228-V244 WeakPolarHBondContact O-CA 3.3Å; T241-V244 HydrophobicContact CG2-CG2 3.44Å; T241-V244 VanDerWaalsContact CG2-CG2 3.44Å; V244-L279 WeakPolarHBondContact O-CD2 3.02Å; V244-V294 HydrophobicContact CB-CG1 4.4Å; V244-V294 HydrophobicContact CG1-CB 4.45Å; V244-V294 HydrophobicContact CG1-CG1 3.83Å; V244-K296 PolarHBondContact N-O 2.69Å; V244-K296 PolarHBondContact O-N 2.54Å
245M95.4Very high79.3Confident0 Ų080.1 Ų80.10%041%0.409CS..EExtended strand (participates in β ladder)trans-136.8128168.3176.2168175.800110.5C227 I228 Y247 L279 V281 D285 V292 V294 Y295C227-M245 CarbonylContact C-O 3.59Å; C227-M245 VanDerWaalsContact CA-O 3.32Å; C227-M245 WeakPolarHBondContact CA-O 3.38Å; I228-M245 PolarHBondContact N-O 3.24Å; I228-M245 PolarHBondContact O-N 3.48Å; M245-Y247 HydrophobicContact CE-CD1 3.94Å; M245-Y247 HydrophobicContact CE-CG 4.5Å; M245-Y247 HydrophobicContact CG-CD1 4.19Å; M245-L279 HydrophobicContact CB-CD2 3.75Å; M245-L279 HydrophobicContact CB-CG 4.31Å; M245-V281 HydrophobicContact CE-CG1 4.2Å; M245-V281 HydrophobicContact SD-CB 4.29Å; M245-V281 HydrophobicContact SD-CG1 4.14Å; M245-V281 HydrophobicContact SD-CG2 4.03Å; M245-D285 HydrophobicContact CE-CB 3.48Å; M245-D285 VanDerWaalsContact CE-CB 3.48Å; M245-V292 HydrophobicContact CE-CG1 3.98Å; M245-V294 CarbonylContact C-O 3.59Å; M245-V294 VanDerWaalsContact CA-O 3.23Å; M245-V294 WeakPolarHBondContact CA-O 3.36Å; M245-Y295 HydrophobicContact CB-CD2 4.22Å; M245-Y295 HydrophobicContact CG-CD2 4.18Å; M245-Y295 HydrophobicContact SD-CD2 3.94Å; M245-Y295 HydrophobicContact SD-CE2 4.31Å
246C95.6Very high77.3Confident0 Ų082.5 Ų82.50%042%0.416CS..EExtended strand (participates in β ladder)trans-124.6139.1171.7-65.90000110.5L166 S226 C227 L293 V294L166-C246 HydrophobicContact CD2-CB 3.9Å; S226-C246 CarbonylContact O-C 3.56Å; S226-C246 VanDerWaalsContact O-CA 3.23Å; S226-C246 WeakPolarHBondContact O-CA 3.18Å; C227-C246 HydrophobicContact CB-CB 4.23Å; C227-C246 WeakPolarHBondContact CB-SG 3.5Å; C227-C246 WeakPolarHBondContact SG-CB 3.12Å; C227-C246 CovalentContact SG-SG 2.05Å; C227-C246 PolarHBondContact SG-SG 3.08Å; C246-L293 HydrophobicContact CB-CB 4.09Å; C246-L293 WeakPolarHBondContact O-CA 3.43Å; C246-L293 WeakPolarHBondContact O-CB 3.32Å; C246-L293 PolarHBondContact O-N 3.15Å; C246-V294 HydrophobicContact CB-CB 3.99Å; C246-V294 HydrophobicContact CB-CG2 4.15Å; C246-V294 PolarHBondContact N-O 3.23Å; C246-V294 PolarHBondContact O-N 2.9Å; C246-V294 VanDerWaalsContact O-N 3.1Å
247Y92.7Very high75.3Confident21 Ų2186.6 Ų86.68%0.08243%0.432CS..EExtended strand (participates in β ladder)trans-146.1154.8-179.856.6-82.7000111.2E194 I225 S226 I228 M245 P282E194-Y247 PolarHBondContact OE1-OH 3.29Å; I225-Y247 WeakPolarHBondContact CA-O 3.4Å; S226-Y247 PolarHBondContact N-O 3.1Å; S226-Y247 PolarHBondContact O-N 3.25Å; I228-Y247 HydrophobicContact CD1-CE1 3.98Å; I228-Y247 HydrophobicContact CG1-CE1 4.44Å; M245-Y247 HydrophobicContact CE-CD1 3.94Å; M245-Y247 HydrophobicContact CE-CG 4.5Å; M245-Y247 HydrophobicContact CG-CD1 4.19Å; Y247-P282 HydrophobicContact CD1-CG 4.42Å; Y247-P282 HydrophobicContact CE1-CG 3.63Å; Y247-P282 HydrophobicContact CE2-CG 4.15Å; Y247-P282 VanDerWaalsContact CZ-CG 3.47Å; Y247-P282 WeakPolarHBondContact OH-CG 3.39Å
248E89.1Confident72.9Confident144 Ų14488 Ų8867%0.67344%0.438SS*.EExtended strand (participates in β ladder)trans-71.3134.2176.5-67.6-177.6170.800110.2L293E248-L293 HydrophobicContact CG-CD1 4.06Å; E248-L293 HydrophobicContact CG-CD2 4.17Å; E248-L293 HydrophobicContact CG-CG 4.25Å
249H75.8Confident70.4Confident53 Ų5393.7 Ų93.725%0.24546%0.464CS..  trans-94113.2179.5-159.186.5000109.6Y224 S226 R251Y224-H249 PolarHBondContact O-N 3Å; S226-H249 PolarHBondContact OG-ND1 3.45Å; H249-R251 VanDerWaalsContact C-N 3.33Å; H249-R251 PolarHBondContact CD2-O 3.44Å; H249-R251 VanDerWaalsContact CD2-O 3.3Å; H249-R251 PolarHBondContact O-N 3Å
250A57.1Low68Low103 Ų10390.9 Ų90.985%0.85146%0.46SS*.  trans-81.63.6-17000000115.6
251R56Low66.1Low206 Ų20685.3 Ų85.378%0.77744%0.442SS*.  trans-131.4127.8-177.4-74.8-173.4172.3128.6-1.8113.9H249H249-R251 VanDerWaalsContact C-N 3.33Å; H249-R251 PolarHBondContact CD2-O 3.44Å; H249-R251 VanDerWaalsContact CD2-O 3.3Å; H249-R251 PolarHBondContact O-N 3Å
252S48.4Very low64.1Low92 Ų9287 Ų8764%0.64345%0.446SS*.  trans-69.1133.5173.748.40000111.6D254S252-D254 PolarHBondContact O-N 3.44Å
253E50Low62.2Low137 Ų13791.6 Ų91.664%0.6447%0.467SS*.SBendtrans60.8-26155.6-67.8173.1174.600121.9
254D46.1Very low60.8Low156 Ų15694.9 Ų94.983%0.83448%0.482SS*.  trans-113.270-173-65.4-34.7000115.1S252S252-D254 PolarHBondContact O-N 3.44Å
255V49.3Very low59.5Low87 Ų8795.6 Ų95.653%0.52749%0.485SS..  trans-110.7102.3157.6-175.80000106.9F257V255-F257 PolarHBondContact O-N 2.85Å
256E42.2Very low58.7Low174 Ų17496 Ų9681%0.81349%0.489SS*.  trans-44.9111.2167.9-104.8-179.4166.900108.7K258E256-K258 PolarHBondContact O-N 2.94Å
257F40.2Very low57.6Low92 Ų92100.6 Ų100.640%0.40451%0.51SS..  trans-65.598.9179.8-151.1-99.6000107.6H176 V177 L178 V255 E259H176-F257 HydrophobicContact CB-CE2 3.96Å; V177-F257 VanDerWaalsContact O-CZ 3.29Å; V177-F257 WeakPolarHBondContact O-CZ 3.28Å; L178-F257 HydrophobicContact CD2-CD2 4.15Å; L178-F257 HydrophobicContact CD2-CE2 3.78Å; V255-F257 PolarHBondContact O-N 2.85Å; F257-E259 HydrophobicContact CD1-CB 4.1Å; F257-E259 HydrophobicContact CD1-CG 4.03Å; F257-E259 HydrophobicContact CE1-CB 4.47Å; F257-E259 HydrophobicContact CE1-CG 3.91Å; F257-E259 PolarHBondContact O-N 3.29Å
258K39.8Very low56.5Low169 Ų169100.7 Ų100.774%0.73551%0.511SS*.  trans-78.686.1165.7-74.8-167.7177.1-175.60107.8E256 G260E256-K258 PolarHBondContact O-N 2.94Å; K258-G260 PolarHBondContact O-N 2.73Å
259E40.1Very low56Low174 Ų17495.6 Ų95.681%0.81349%0.486SS*.  trans-64.290.1163.6-132.9176.3-156.800107.6F257F257-E259 HydrophobicContact CD1-CB 4.1Å; F257-E259 HydrophobicContact CD1-CG 4.03Å; F257-E259 HydrophobicContact CE1-CB 4.47Å; F257-E259 HydrophobicContact CE1-CG 3.91Å; F257-E259 PolarHBondContact O-N 3.29Å
260G41Very low56.4Low47 Ų4796 Ų9649%0.48549%0.487SS..  trans163.276.8-168.300000109.2K258 E262K258-G260 PolarHBondContact O-N 2.73Å; G260-E262 PolarHBondContact O-N 3.08Å
261I51Low57.8Low36 Ų3691.1 Ų91.119%0.18545%0.447CS..  trans-63.7105.8163.9-50.5174.2000105.2N145 Y179 A181 E263 I265N145-I261 VanDerWaalsContact OD1-CD1 3.3Å; N145-I261 WeakPolarHBondContact OD1-CD1 3.05Å; Y179-I261 VanDerWaalsContact CB-CD1 3.44Å; Y179-I261 VanDerWaalsContact CB-CG1 3.49Å; Y179-I261 HydrophobicContact CD2-CD1 4.34Å; Y179-I261 HydrophobicContact CG-CD1 4.25Å; Y179-I261 HydrophobicContact CG-CG1 4.38Å; A181-I261 HydrophobicContact CB-CD1 3.79Å; A181-I261 HydrophobicContact CB-CG2 4.25Å; I261-E263 PolarHBondContact O-N 3.33Å; I261-I265 HydrophobicContact CG2-CB 3.86Å; I261-I265 HydrophobicContact CG2-CD1 4.33Å; I261-I265 HydrophobicContact CG2-CG2 3.42Å; I261-I265 VanDerWaalsContact CG2-CG2 3.42Å
262E52.9Low58.9Low85 Ų8583 Ų8340%0.39742%0.42SS..  trans-50.2125.3169.7-67.7174.2161.300106.1G260 E264 I265 R519G260-E262 PolarHBondContact O-N 3.08Å; E262-E264 HydrophobicContact CB-CB 4.37Å; E262-E264 PolarHBondContact O-N 3.01Å; E262-I265 PolarHBondContact O-N 3.33Å; E262-R519 IonicContact OE1-NH1 3.77Å; E262-R519 IonicContact OE1-NH2 3.81Å; E262-R519 IonicContact OE2-CZ 3.57Å; E262-R519 IonicContact OE2-NH1 2.78Å; E262-R519 PolarHBondContact OE2-NH1 2.89Å; E262-R519 IonicContact OE2-NH2 3.7Å
263E52.1Low60.3Low143 Ų14385.9 Ų85.967%0.66843%0.429SS*.THydrogen-bonded Turntrans-49.2-16.1-176.3-65.6-179.2156.500112.6Q143 I261 I265Q143-E263 PolarHBondContact NE2-O 2.7Å; Q143-E263 PolarHBondContact OE1-O 2.7Å; I261-E263 PolarHBondContact O-N 3.33Å; E263-I265 PolarHBondContact O-N 3.32Å
264E65.5Low61.8Low70 Ų7080.4 Ų80.433%0.32741%0.406SS..THydrogen-bonded Turntrans-69.5-20.2177.3-55.8-179.9-168.800114.6E262 C266 E267 M268 E516E262-E264 HydrophobicContact CB-CB 4.37Å; E262-E264 PolarHBondContact O-N 3.01Å; E264-C266 VanDerWaalsContact C-N 3.3Å; E264-C266 PolarHBondContact O-N 2.79Å; E264-C266 VanDerWaalsContact O-N 3.16Å; E264-E267 PolarHBondContact O-N 3.03Å; E264-M268 HydrophobicContact CB-CE 3.94Å; E264-M268 HydrophobicContact CB-CG 4.07Å; E264-M268 HydrophobicContact CB-SD 4.4Å; E264-M268 WeakPolarHBondContact O-CB 3.48Å; E264-M268 WeakPolarHBondContact O-CG 3.34Å; E264-M268 PolarHBondContact O-N 3.37Å; E264-E516 VanDerWaalsContact CB-OE2 3.32Å; E264-E516 WeakPolarHBondContact CB-OE2 3.44Å; E264-E516 VanDerWaalsContact CG-OE2 3.29Å; E264-E516 WeakPolarHBondContact CG-OE2 3.46Å
265I69.7Low63.5Low18 Ų1878.9 Ų78.99%0.09239%0.393CS..Hα-helixtrans-59.3-38.7-171-151.2171.6000113.4Y179 A181 L192 I261 E262 E263 M268 Y269 I280Y179-I265 HydrophobicContact CD1-CD1 4.43Å; Y179-I265 HydrophobicContact CE1-CD1 4.01Å; Y179-I265 HydrophobicContact CE2-CD1 4.18Å; A181-I265 HydrophobicContact CB-CG2 4.02Å; L192-I265 HydrophobicContact CD1-CG2 4.5Å; I261-I265 HydrophobicContact CG2-CB 3.86Å; I261-I265 HydrophobicContact CG2-CD1 4.33Å; I261-I265 HydrophobicContact CG2-CG2 3.42Å; I261-I265 VanDerWaalsContact CG2-CG2 3.42Å; E262-I265 PolarHBondContact O-N 3.33Å; E263-I265 PolarHBondContact O-N 3.32Å; I265-M268 HydrophobicContact CB-CE 4.36Å; I265-M268 HydrophobicContact CG1-CE 4.42Å; I265-Y269 HydrophobicContact CG1-CD2 4.1Å; I265-Y269 HydrophobicContact CG1-CE2 4.08Å; I265-Y269 VanDerWaalsContact O-CD2 3.3Å; I265-Y269 WeakPolarHBondContact O-CD2 3.48Å; I265-Y269 PolarHBondContact O-N 3.16Å; I265-I280 HydrophobicContact CD1-CD1 3.59Å; I265-I280 HydrophobicContact CG1-CD1 3.81Å
266C77.1Confident65.4Low10 Ų1075.9 Ų75.97%0.06838%0.376CS..Hα-helixtrans-73.1-37.1179.6-61.20000111.5C183 E264 K270 L277C183-C266 WeakPolarHBondContact CA-SG 3.44Å; C183-C266 HydrophobicContact CB-CB 3.5Å; C183-C266 VanDerWaalsContact CB-CB 3.5Å; C183-C266 WeakPolarHBondContact CB-SG 3.46Å; C183-C266 WeakPolarHBondContact SG-CB 3.46Å; C183-C266 CovalentContact SG-SG 2.03Å; C183-C266 PolarHBondContact SG-SG 2.85Å; E264-C266 VanDerWaalsContact C-N 3.3Å; E264-C266 PolarHBondContact O-N 2.79Å; E264-C266 VanDerWaalsContact O-N 3.16Å; C266-K270 PolarHBondContact O-N 2.86Å; C266-L277 WeakPolarHBondContact O-CD2 3.46Å
267E73.5Confident67.5Low96 Ų9668 Ų6845%0.44934%0.339SS..Hα-helixtrans-72.2-44.9179.4-60.1-165166.300110.8E264 Y269 K270E264-E267 PolarHBondContact O-N 3.03Å; E267-Y269 VanDerWaalsContact C-N 3.29Å; E267-Y269 PolarHBondContact O-N 3.37Å; E267-K270 VanDerWaalsContact O-CB 3.27Å; E267-K270 WeakPolarHBondContact O-CB 3.07Å; E267-K270 PolarHBondContact O-N 3.32Å; E267-K270 VanDerWaalsContact O-N 3.09Å
268M68.6Low69.9Low22 Ų2264.3 Ų64.311%0.10832%0.322CS..Hα-helixtrans-54.3-38.8178.8-84.9-159.5-69.500113.9E264 I265 S518E264-M268 HydrophobicContact CB-CE 3.94Å; E264-M268 HydrophobicContact CB-CG 4.07Å; E264-M268 HydrophobicContact CB-SD 4.4Å; E264-M268 WeakPolarHBondContact O-CB 3.48Å; E264-M268 WeakPolarHBondContact O-CG 3.34Å; E264-M268 PolarHBondContact O-N 3.37Å; I265-M268 HydrophobicContact CB-CE 4.36Å; I265-M268 HydrophobicContact CG1-CE 4.42Å; M268-S518 WeakPolarHBondContact O-CA 3.36Å; M268-S518 WeakPolarHBondContact O-CB 3.18Å; M268-S518 PolarHBondContact O-N 3.08Å; M268-S518 PolarHBondContact O-OG 2.81Å
269Y79.7Confident72.4Confident37 Ų3756.3 Ų56.315%0.14529%0.288CS..THydrogen-bonded Turntrans-100.77.2-177.8-69-86.8000113.2I265 E267 Y271 L277 R278 I280I265-Y269 HydrophobicContact CG1-CD2 4.1Å; I265-Y269 HydrophobicContact CG1-CE2 4.08Å; I265-Y269 VanDerWaalsContact O-CD2 3.3Å; I265-Y269 WeakPolarHBondContact O-CD2 3.48Å; I265-Y269 PolarHBondContact O-N 3.16Å; E267-Y269 VanDerWaalsContact C-N 3.29Å; E267-Y269 PolarHBondContact O-N 3.37Å; Y269-Y271 PolarHBondContact O-N 2.74Å; Y269-L277 WeakPolarHBondContact O-CA 3.29Å; Y269-R278 HydrophobicContact CD1-CB 4.48Å; Y269-R278 PolarHBondContact O-N 2.9Å; Y269-I280 HydrophobicContact CD1-CG1 3.85Å; Y269-I280 HydrophobicContact CD2-CD1 3.73Å; Y269-I280 HydrophobicContact CD2-CG1 3.85Å; Y269-I280 HydrophobicContact CE1-CB 4.09Å; Y269-I280 HydrophobicContact CE1-CD1 4.4Å; Y269-I280 HydrophobicContact CE1-CG1 3.78Å; Y269-I280 HydrophobicContact CE1-CG2 3.96Å; Y269-I280 HydrophobicContact CE2-CD1 3.5Å; Y269-I280 VanDerWaalsContact CE2-CD1 3.5Å; Y269-I280 HydrophobicContact CE2-CG1 3.79Å; Y269-I280 HydrophobicContact CE2-CG2 4.41Å; Y269-I280 HydrophobicContact CG-CD1 4.29Å; Y269-I280 HydrophobicContact CG-CG1 3.89Å
270K83.6Confident74.6Confident62 Ų6248.8 Ų48.827%0.2725%0.253SS..BIsolated β-bridgetrans-68.2129.3176.5-168.4167.3178.2165.90110.9C266 E267 S274 E275 L277C266-K270 PolarHBondContact O-N 2.86Å; E267-K270 VanDerWaalsContact O-CB 3.27Å; E267-K270 WeakPolarHBondContact O-CB 3.07Å; E267-K270 PolarHBondContact O-N 3.32Å; E267-K270 VanDerWaalsContact O-N 3.09Å; K270-S274 WeakPolarHBondContact CE-O 3.46Å; K270-S274 WeakPolarHBondContact CG-O 3.48Å; K270-E275 IonicContact NZ-OE1 2.93Å; K270-E275 PolarHBondContact NZ-OE1 2.93Å; K270-E275 IonicContact NZ-OE2 2.7Å; K270-E275 PolarHBondContact NZ-OE2 2.74Å; K270-L277 HydrophobicContact CB-CD2 3.99Å; K270-L277 HydrophobicContact CG-CD2 4.35Å
271Y86.3Confident76.7Confident1 Ų147.5 Ų47.50%0.00424%0.236CC..PPolyproline II helixtrans-73.8134.9174.5-175.3-84.1000109.6Y269 D273 S274 V276 R278 F300 L340 A345 R445 T447Y269-Y271 PolarHBondContact O-N 2.74Å; Y271-D273 PolarHBondContact O-N 3.49Å; Y271-S274 WeakPolarHBondContact CB-OG 3.33Å; Y271-S274 WeakPolarHBondContact CD1-OG 3.37Å; Y271-S274 PolarHBondContact O-N 3.34Å; Y271-S274 PolarHBondContact O-OG 3.06Å; Y271-V276 WeakPolarHBondContact CB-O 3.29Å; Y271-V276 PolarHBondContact N-O 3.4Å; Y271-R278 VanDerWaalsContact CD2-NH2 3.3Å; Y271-R278 VanDerWaalsContact CE2-NH2 3.28Å; Y271-F300 HydrophobicContact CD1-CD1 4.31Å; Y271-F300 AromaticContact CD1-CE1 3.86Å; Y271-F300 HydrophobicContact CD1-CE1 3.86Å; Y271-F300 HydrophobicContact CE1-CD1 4.44Å; Y271-F300 AromaticContact CE1-CE1 3.98Å; Y271-F300 HydrophobicContact CE1-CE1 3.98Å; Y271-L340 HydrophobicContact CD2-CD2 3.27Å; Y271-L340 HydrophobicContact CE2-CD2 3.67Å; Y271-L340 HydrophobicContact CG-CD2 3.97Å; Y271-A345 HydrophobicContact CE1-CB 3.81Å; Y271-A345 WeakPolarHBondContact OH-CB 3.42Å; Y271-A345 PolarHBondContact OH-N 3.48Å; Y271-R445 VanDerWaalsContact OH-CA 3.27Å; Y271-R445 WeakPolarHBondContact OH-CA 3.4Å; Y271-R445 WeakPolarHBondContact OH-CB 3.04Å; Y271-R445 PolarHBondContact OH-O 3.01Å; Y271-T447 HydrophobicContact CE2-CG2 4.2Å
272P79.2Confident78.2Confident34 Ų3447 Ų4722%0.22124%0.235CC..THydrogen-bonded Turntrans-50.8136.5-172.6-28.934.6000114.1S274 P444 R445P272-S274 PolarHBondContact O-N 3.35Å; P272-S274 VanDerWaalsContact O-N 3.13Å; P272-P444 WeakPolarHBondContact CD-O 3.44Å; P272-P444 HydrophobicContact CG-CB 3.74Å; P272-P444 HydrophobicContact CG-CG 4.1Å; P272-R445 HydrophobicContact CG-CG 4.37Å
273D77.5Confident79.2Confident154 Ų15449.6 Ų49.682%0.82424%0.242SC*.THydrogen-bonded Turntrans52.531.8176.5-50.3-39.3000114.2Y271 K515Y271-D273 PolarHBondContact O-N 3.49Å; D273-K515 IonicContact OD1-NZ 3.44Å
274S83.3Confident80.4Confident22 Ų2247.8 Ų47.815%0.15424%0.241CC..SBendtrans-148160.8179.179.90000111.8K270 Y271 P272 V276K270-S274 WeakPolarHBondContact CE-O 3.46Å; K270-S274 WeakPolarHBondContact CG-O 3.48Å; Y271-S274 WeakPolarHBondContact CB-OG 3.33Å; Y271-S274 WeakPolarHBondContact CD1-OG 3.37Å; Y271-S274 PolarHBondContact O-N 3.34Å; Y271-S274 PolarHBondContact O-OG 3.06Å; P272-S274 PolarHBondContact O-N 3.35Å; P272-S274 VanDerWaalsContact O-N 3.13Å; S274-V276 PolarHBondContact O-N 3.28Å; S274-V276 PolarHBondContact OG-N 2.98Å
275E81.9Confident81.3Confident123 Ų12344.7 Ų44.758%0.57523%0.226SC*.SBendtrans-85.310170.8-61.5-52.3130.700113.4K270K270-E275 IonicContact NZ-OE1 2.93Å; K270-E275 PolarHBondContact NZ-OE1 2.93Å; K270-E275 IonicContact NZ-OE2 2.7Å; K270-E275 PolarHBondContact NZ-OE2 2.74Å
276V87.3Confident82.1Confident25 Ų2545.3 Ų45.315%0.15223%0.228CC..PPolyproline II helixtrans-81.6132.9-178.8174.90000109.8Y271 S274 L298 F300 L340Y271-V276 WeakPolarHBondContact CB-O 3.29Å; Y271-V276 PolarHBondContact N-O 3.4Å; S274-V276 PolarHBondContact O-N 3.28Å; S274-V276 PolarHBondContact OG-N 2.98Å; V276-L298 HydrophobicContact CG1-CD2 3.67Å; V276-F300 HydrophobicContact CG1-CB 4.33Å; V276-F300 HydrophobicContact CG1-CD1 4.41Å; V276-F300 HydrophobicContact CG1-CG 4.18Å; V276-F300 HydrophobicContact CG2-CD1 4.39Å; V276-F300 HydrophobicContact CG2-CD2 3.67Å; V276-F300 HydrophobicContact CG2-CE1 4.32Å; V276-F300 HydrophobicContact CG2-CE2 3.6Å; V276-F300 HydrophobicContact CG2-CG 4.07Å; V276-F300 HydrophobicContact CG2-CZ 3.93Å; V276-L340 HydrophobicContact CG1-CD1 3.85Å
277L88.2Confident82.7Confident8 Ų847.3 Ų47.34%0.04224%0.243CC..BIsolated β-bridgetrans-100.2139.3172.3-55.8178.2000110.1C183 P190 L192 Q230 C266 Y269 K270C183-L277 HydrophobicContact CB-CD1 3.55Å; C183-L277 WeakPolarHBondContact SG-CD1 3.28Å; P190-L277 HydrophobicContact CB-CD1 4.04Å; P190-L277 HydrophobicContact CG-CD1 3.72Å; P190-L277 HydrophobicContact CG-CG 4.23Å; L192-L277 HydrophobicContact CD1-CD1 4.19Å; L192-L277 HydrophobicContact CG-CD1 4.33Å; Q230-L277 PolarHBondContact NE2-O 3.31Å; C266-L277 WeakPolarHBondContact O-CD2 3.46Å; Y269-L277 WeakPolarHBondContact O-CA 3.29Å; K270-L277 HydrophobicContact CB-CD2 3.99Å; K270-L277 HydrophobicContact CG-CD2 4.35Å
278R90.6Very high83.6Confident14 Ų1446.5 Ų46.55%0.05324%0.236CC..PPolyproline II helixtrans-72.7142.9167.7-64176.5173.2-84.6-0.5109.1Y269 Y271 I280 T338 L340 P444 S446Y269-R278 HydrophobicContact CD1-CB 4.48Å; Y269-R278 PolarHBondContact O-N 2.9Å; Y271-R278 VanDerWaalsContact CD2-NH2 3.3Å; Y271-R278 VanDerWaalsContact CE2-NH2 3.28Å; R278-I280 PolarHBondContact O-N 3.04Å; R278-T338 PolarHBondContact NH1-O 2.76Å; R278-T338 PolarHBondContact NH1-OG1 2.83Å; R278-L340 HydrophobicContact CG-CB 4.33Å; R278-P444 PolarHBondContact NH2-O 3.24Å; R278-S446 VanDerWaalsContact CZ-O 3.26Å; R278-S446 PolarHBondContact NH1-O 2.88Å; R278-S446 PolarHBondContact NH2-O 2.95Å
279L90.9Very high84.6Confident2 Ų254.2 Ų54.21%0.0127%0.271CS..PPolyproline II helixtrans-63.2134.8165-176.364.6000108.8I228 Q230 V244 M245 V281 Y295 P297 G339I228-L279 HydrophobicContact CB-CD1 4.47Å; I228-L279 HydrophobicContact CG2-CD1 3.84Å; Q230-L279 HydrophobicContact CB-CD1 4.18Å; V244-L279 WeakPolarHBondContact O-CD2 3.02Å; M245-L279 HydrophobicContact CB-CD2 3.75Å; M245-L279 HydrophobicContact CB-CG 4.31Å; L279-V281 PolarHBondContact O-N 3.22Å; L279-Y295 HydrophobicContact CD2-CD2 4.37Å; L279-Y295 HydrophobicContact CD2-CE2 4.24Å; L279-P297 HydrophobicContact CD2-CB 4.36Å; L279-G339 WeakPolarHBondContact CB-O 3.42Å; L279-G339 PolarHBondContact N-O 2.75Å; L279-G339 VanDerWaalsContact O-CA 3.24Å; L279-G339 WeakPolarHBondContact O-CA 3.44Å
280I86.8Confident85.1Confident15 Ų1557.3 Ų57.38%0.07729%0.285CS..PPolyproline II helixtrans-69.2125.6178.9-57.8-168.4000108.8Y179 I228 I265 Y269 R278Y179-I280 WeakPolarHBondContact OH-CD1 3.5Å; I228-I280 HydrophobicContact CD1-CB 4.13Å; I228-I280 HydrophobicContact CD1-CG2 4.16Å; I228-I280 WeakPolarHBondContact CD1-O 3.31Å; I228-I280 HydrophobicContact CG2-CB 4.25Å; I265-I280 HydrophobicContact CD1-CD1 3.59Å; I265-I280 HydrophobicContact CG1-CD1 3.81Å; Y269-I280 HydrophobicContact CD1-CG1 3.85Å; Y269-I280 HydrophobicContact CD2-CD1 3.73Å; Y269-I280 HydrophobicContact CD2-CG1 3.85Å; Y269-I280 HydrophobicContact CE1-CB 4.09Å; Y269-I280 HydrophobicContact CE1-CD1 4.4Å; Y269-I280 HydrophobicContact CE1-CG1 3.78Å; Y269-I280 HydrophobicContact CE1-CG2 3.96Å; Y269-I280 HydrophobicContact CE2-CD1 3.5Å; Y269-I280 VanDerWaalsContact CE2-CD1 3.5Å; Y269-I280 HydrophobicContact CE2-CG1 3.79Å; Y269-I280 HydrophobicContact CE2-CG2 4.41Å; Y269-I280 HydrophobicContact CG-CD1 4.29Å; Y269-I280 HydrophobicContact CG-CG1 3.89Å; R278-I280 PolarHBondContact O-N 3.04Å
281V85.7Confident85.5Confident21 Ų2163 Ų6313%0.12731%0.31CS..  trans-118.8110.5176.1-179.50000107.6M245 L279 K286 Y295 R337M245-V281 HydrophobicContact CE-CG1 4.2Å; M245-V281 HydrophobicContact SD-CB 4.29Å; M245-V281 HydrophobicContact SD-CG1 4.14Å; M245-V281 HydrophobicContact SD-CG2 4.03Å; L279-V281 PolarHBondContact O-N 3.22Å; V281-K286 HydrophobicContact CG1-CB 4.34Å; V281-Y295 HydrophobicContact CG2-CE2 3.87Å; V281-R337 HydrophobicContact CG1-CB 3.91Å; V281-R337 HydrophobicContact CG2-CB 4.28Å
282P82.7Confident85.8Confident26 Ų2664 Ų6417%0.16932%0.316CS..  trans-54.8141.7172.8-22.831.2000111I228 Y247 T284 D285 K286I228-P282 HydrophobicContact CD1-CG 4.38Å; Y247-P282 HydrophobicContact CD1-CG 4.42Å; Y247-P282 HydrophobicContact CE1-CG 3.63Å; Y247-P282 HydrophobicContact CE2-CG 4.15Å; Y247-P282 VanDerWaalsContact CZ-CG 3.47Å; Y247-P282 WeakPolarHBondContact OH-CG 3.39Å; P282-T284 PolarHBondContact O-N 2.95Å; P282-D285 HydrophobicContact CB-CB 4.46Å; P282-D285 CarbonylContact O-C 3.6Å; P282-D285 PolarHBondContact O-N 2.74Å; P282-K286 PolarHBondContact O-N 2.99Å
283Y72.9Confident86.5Confident138 Ų13864.7 Ų64.754%0.54132%0.318SS..G310 helixtrans-57.1-39.3-177179.9-98.5000112.4D285 K286Y283-D285 PolarHBondContact O-N 2.83Å; Y283-K286 VanDerWaalsContact O-CB 3.31Å; Y283-K286 WeakPolarHBondContact O-CB 3.35Å; Y283-K286 PolarHBondContact O-N 3.15Å
284T78Confident87.4Confident105 Ų10557.8 Ų57.864%0.64428%0.281SS*.G310 helixtrans-62.4-21.3177460000114P282P282-T284 PolarHBondContact O-N 2.95Å
285D84.9Confident88Confident5 Ų558.7 Ų58.73%0.02728%0.282CS..G310 helixtrans-114.410.5-173.4-58.5-75.8000112.6M245 P282 Y283 K290 V292 R337M245-D285 HydrophobicContact CE-CB 3.48Å; M245-D285 VanDerWaalsContact CE-CB 3.48Å; P282-D285 HydrophobicContact CB-CB 4.46Å; P282-D285 CarbonylContact O-C 3.6Å; P282-D285 PolarHBondContact O-N 2.74Å; Y283-D285 PolarHBondContact O-N 2.83Å; D285-K290 VanDerWaalsContact OD1-CE 3.24Å; D285-K290 WeakPolarHBondContact OD1-CE 3.47Å; D285-V292 HydrophobicContact CB-CG1 4.12Å; D285-R337 PolarHBondContact O-NH1 3.34Å
286K85.8Confident88.7Confident31 Ų3158.3 Ų58.314%0.13528%0.278CS..  trans-70.7-42.4179.1-177.6162.2-174.9153.90113.1V281 P282 Y283 W288 A335 G336 R337 T524V281-K286 HydrophobicContact CG1-CB 4.34Å; P282-K286 PolarHBondContact O-N 2.99Å; Y283-K286 VanDerWaalsContact O-CB 3.31Å; Y283-K286 WeakPolarHBondContact O-CB 3.35Å; Y283-K286 PolarHBondContact O-N 3.15Å; K286-W288 PolarHBondContact O-N 2.74Å; K286-A335 WeakPolarHBondContact CE-O 3.3Å; K286-G336 CarbonylContact O-C 3.59Å; K286-G336 VanDerWaalsContact O-CA 3.3Å; K286-G336 WeakPolarHBondContact O-CA 3.17Å; K286-R337 WeakPolarHBondContact CE-O 3.32Å; K286-R337 WeakPolarHBondContact CG-O 3.32Å; K286-R337 PolarHBondContact O-N 2.75Å; K286-T524 HydrophobicContact CD-CG2 4.37Å; K286-T524 PolarHBondContact NZ-OG1 3.04Å
287S89.6Confident89.1Confident53 Ų5358.3 Ų58.337%0.37128%0.279SS..SBendtrans-61.4134.4-176.7174.90000111.6Q289 K290 R337S287-Q289 PolarHBondContact O-N 3.03Å; S287-Q289 PolarHBondContact OG-N 2.78Å; S287-K290 WeakPolarHBondContact O-CB 3.48Å; S287-K290 PolarHBondContact O-N 2.68Å; S287-R337 PolarHBondContact O-NH1 3.13Å
288W92Very high89.4Confident79 Ų7959.5 Ų59.530%0.29929%0.285SS..THydrogen-bonded Turntrans-61-25.4174.2-64.7112.8000113K286 K290 Y295 K332 N333 G336 R337 D448K286-W288 PolarHBondContact O-N 2.74Å; W288-K290 VanDerWaalsContact C-N 3.28Å; W288-Y295 AromaticContact CH2-CE1 3.96Å; W288-Y295 HydrophobicContact CH2-CE1 3.96Å; W288-Y295 HydrophobicContact CZ3-CD1 4.29Å; W288-Y295 HydrophobicContact CZ3-CE1 4.06Å; W288-K332 HydrophobicContact CD2-CB 4.26Å; W288-K332 HydrophobicContact CD2-CG 4.5Å; W288-K332 HydrophobicContact CH2-CD 3.87Å; W288-K332 HydrophobicContact CH2-CG 4.39Å; W288-K332 HydrophobicContact CZ2-CB 3.92Å; W288-K332 HydrophobicContact CZ2-CD 3.84Å; W288-K332 HydrophobicContact CZ2-CG 4.15Å; W288-K332 HydrophobicContact CZ3-CD 4.45Å; W288-N333 PolarHBondContact NE1-O 3.28Å; W288-G336 VanDerWaalsContact NE1-CA 3.33Å; W288-R337 HydrophobicContact CD2-CG 4.21Å; W288-R337 HydrophobicContact CE3-CG 3.82Å; W288-R337 HydrophobicContact CH2-CB 4.45Å; W288-R337 HydrophobicContact CH2-CG 3.62Å; W288-R337 HydrophobicContact CZ2-CG 4.01Å; W288-R337 HydrophobicContact CZ3-CG 3.52Å; W288-D448 HydrophobicContact CH2-CB 4.15Å; W288-D448 HydrophobicContact CZ2-CB 4.15Å
289Q90.8Very high89.5Confident184 Ų18466.8 Ų66.886%0.8632%0.317SS*.THydrogen-bonded Turntrans-71.2-25.2175.8-61.3175-7.200112.1S287 K291S287-Q289 PolarHBondContact O-N 3.03Å; S287-Q289 PolarHBondContact OG-N 2.78Å; Q289-K291 PolarHBondContact O-N 3.24Å
290K89.6Confident89.6Confident101 Ų10168.6 Ų68.644%0.43933%0.325SS..SBendtrans-72.9120174.4-17668.9172.8-175.30109.2D285 S287 W288 V292 R337D285-K290 VanDerWaalsContact OD1-CE 3.24Å; D285-K290 WeakPolarHBondContact OD1-CE 3.47Å; S287-K290 WeakPolarHBondContact O-CB 3.48Å; S287-K290 PolarHBondContact O-N 2.68Å; W288-K290 VanDerWaalsContact C-N 3.28Å; K290-V292 PolarHBondContact O-N 3.42Å; K290-R337 PolarHBondContact O-NH1 3.34Å; K290-R337 PolarHBondContact O-NH2 3.03Å; K290-R337 VanDerWaalsContact O-NH2 3.07Å
291K91.4Very high89.9Confident182 Ų18270.9 Ų70.979%0.79134%0.342SS*.  trans-68.2126.5172.3-169.6-177.4177.4-174.70109.2Q289Q289-K291 PolarHBondContact O-N 3.24Å
292V92.8Very high90.1Very high22 Ų2272.8 Ų72.813%0.13335%0.354CS..  trans-120149.9172.9-61.20000107.6M245 D285 K290M245-V292 HydrophobicContact CE-CG1 3.98Å; D285-V292 HydrophobicContact CB-CG1 4.12Å; K290-V292 PolarHBondContact O-N 3.42Å
293L94.8Very high90.1Very high49 Ų4977.6 Ų77.626%0.25737%0.374SS..SBendtrans-73.6-45.3-174.9-59.9172.2000111L166 I225 C246 E248L166-L293 HydrophobicContact CD2-CB 3.75Å; L166-L293 HydrophobicContact CD2-CD1 3.91Å; L166-L293 HydrophobicContact CD2-CG 4.43Å; I225-L293 HydrophobicContact CB-CD1 4.06Å; I225-L293 HydrophobicContact CG2-CD1 3.47Å; I225-L293 VanDerWaalsContact CG2-CD1 3.47Å; C246-L293 HydrophobicContact CB-CB 4.09Å; C246-L293 WeakPolarHBondContact O-CA 3.43Å; C246-L293 WeakPolarHBondContact O-CB 3.32Å; C246-L293 PolarHBondContact O-N 3.15Å; E248-L293 HydrophobicContact CG-CD1 4.06Å; E248-L293 HydrophobicContact CG-CD2 4.17Å; E248-L293 HydrophobicContact CG-CG 4.25Å
294V95.7Very high90.2Very high9 Ų972.5 Ų72.56%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-138.5136.9176.4-177.10000108L165 L166 V244 M245 C246 K296L165-V294 HydrophobicContact CB-CG1 4.35Å; L165-V294 HydrophobicContact CB-CG2 4.19Å; L165-V294 WeakPolarHBondContact O-CG2 3.5Å; L166-V294 HydrophobicContact CD2-CG2 4.02Å; L166-V294 HydrophobicContact CG-CG2 4.33Å; V244-V294 HydrophobicContact CB-CG1 4.4Å; V244-V294 HydrophobicContact CG1-CB 4.45Å; V244-V294 HydrophobicContact CG1-CG1 3.83Å; M245-V294 CarbonylContact C-O 3.59Å; M245-V294 VanDerWaalsContact CA-O 3.23Å; M245-V294 WeakPolarHBondContact CA-O 3.36Å; C246-V294 HydrophobicContact CB-CB 3.99Å; C246-V294 HydrophobicContact CB-CG2 4.15Å; C246-V294 PolarHBondContact N-O 3.23Å; C246-V294 PolarHBondContact O-N 2.9Å; C246-V294 VanDerWaalsContact O-N 3.1Å; V294-K296 HydrophobicContact CG1-CD 4.41Å; V294-K296 HydrophobicContact CG1-CG 4.21Å
295Y96.1Very high89.9Confident40 Ų4076 Ų7616%0.15736%0.361CS..EExtended strand (participates in β ladder)trans-148.6102.1168.7179.6-110.8000109.9M245 L279 V281 W288 P297 R337 G339 D448M245-Y295 HydrophobicContact CB-CD2 4.22Å; M245-Y295 HydrophobicContact CG-CD2 4.18Å; M245-Y295 HydrophobicContact SD-CD2 3.94Å; M245-Y295 HydrophobicContact SD-CE2 4.31Å; L279-Y295 HydrophobicContact CD2-CD2 4.37Å; L279-Y295 HydrophobicContact CD2-CE2 4.24Å; V281-Y295 HydrophobicContact CG2-CE2 3.87Å; W288-Y295 AromaticContact CH2-CE1 3.96Å; W288-Y295 HydrophobicContact CH2-CE1 3.96Å; W288-Y295 HydrophobicContact CZ3-CD1 4.29Å; W288-Y295 HydrophobicContact CZ3-CE1 4.06Å; Y295-P297 HydrophobicContact CD1-CG 4.47Å; Y295-P297 HydrophobicContact CE1-CG 3.78Å; Y295-P297 HydrophobicContact CE2-CB 4.29Å; Y295-P297 HydrophobicContact CE2-CG 4.28Å; Y295-R337 HydrophobicContact CD1-CG 4.12Å; Y295-R337 HydrophobicContact CE1-CB 4.17Å; Y295-R337 HydrophobicContact CE1-CG 3.63Å; Y295-R337 HydrophobicContact CE2-CB 4.22Å; Y295-R337 HydrophobicContact CE2-CG 4.26Å; Y295-G339 WeakPolarHBondContact OH-CA 3.47Å; Y295-G339 PolarHBondContact OH-N 3.14Å; Y295-G339 VanDerWaalsContact OH-N 3.1Å; Y295-D448 WeakPolarHBondContact CE1-OD2 3.39Å; Y295-D448 VanDerWaalsContact CZ-OD2 3.26Å; Y295-D448 VanDerWaalsContact OH-CG 3.26Å; Y295-D448 PolarHBondContact OH-OD1 3.46Å; Y295-D448 PolarHBondContact OH-OD2 2.79Å
296K95.9Very high88.9Confident116 Ų11676.4 Ų76.450%0.50436%0.364SS..EExtended strand (participates in β ladder)trans-131.878.4-178.5-64.6-175.4-178.2-1790108.1L165 G243 V244 V294L165-K296 HydrophobicContact CD2-CD 4.11Å; G243-K296 CarbonylContact C-O 3.54Å; G243-K296 WeakPolarHBondContact CA-O 3.13Å; V244-K296 PolarHBondContact N-O 2.69Å; V244-K296 PolarHBondContact O-N 2.54Å; V294-K296 HydrophobicContact CG1-CD 4.41Å; V294-K296 HydrophobicContact CG1-CG 4.21Å
297P95.5Very high87.5Confident25 Ų2576.4 Ų76.416%0.16237%0.372CS..  trans-72.6161.6179.332.3-37.6000111.8L279 Y295 K299 A341L279-P297 HydrophobicContact CD2-CB 4.36Å; Y295-P297 HydrophobicContact CD1-CG 4.47Å; Y295-P297 HydrophobicContact CE1-CG 3.78Å; Y295-P297 HydrophobicContact CE2-CB 4.29Å; Y295-P297 HydrophobicContact CE2-CG 4.28Å; P297-K299 PolarHBondContact O-N 3.05Å; P297-A341 HydrophobicContact CG-CB 4.04Å
298L94.4Very high85.5Confident32 Ų3283.1 Ų83.117%0.16840%0.395CS..EExtended strand (participates in β ladder)trans-61.3132.2172.8177.865.4000110.3M242 V276 L340 A341M242-L298 HydrophobicContact CB-CD1 4.28Å; M242-L298 VanDerWaalsContact O-CA 3.31Å; M242-L298 WeakPolarHBondContact O-CA 3.16Å; M242-L298 WeakPolarHBondContact O-CB 3.49Å; M242-L298 PolarHBondContact O-N 3.36Å; V276-L298 HydrophobicContact CG1-CD2 3.67Å; L298-L340 HydrophobicContact CB-CD1 4.13Å; L298-L340 HydrophobicContact CD2-CD1 4.43Å; L298-L340 HydrophobicContact CG-CD1 4.42Å; L298-L340 WeakPolarHBondContact O-CD1 3.44Å; L298-A341 PolarHBondContact O-N 3.49Å
299K94Very high83.4Confident167 Ų16788.8 Ų88.873%0.72642%0.418SS*.EExtended strand (participates in β ladder)trans-87.1112.7171.3-171.5175.9-177.1175.90110P297 A341P297-K299 PolarHBondContact O-N 3.05Å; K299-A341 CarbonylContact C-O 3.43Å; K299-A341 WeakPolarHBondContact CA-O 3.41Å; K299-A341 HydrophobicContact CB-CB 4.31Å; K299-A341 HydrophobicContact CG-CB 4.44Å
300F93.1Very high81.7Confident40 Ų4080.7 Ų80.718%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-125.3135.5-179.5-179.9-115.8000111.6Y271 V276 T302 L340 A341 G342 K343 G344Y271-F300 HydrophobicContact CD1-CD1 4.31Å; Y271-F300 AromaticContact CD1-CE1 3.86Å; Y271-F300 HydrophobicContact CD1-CE1 3.86Å; Y271-F300 HydrophobicContact CE1-CD1 4.44Å; Y271-F300 AromaticContact CE1-CE1 3.98Å; Y271-F300 HydrophobicContact CE1-CE1 3.98Å; V276-F300 HydrophobicContact CG1-CB 4.33Å; V276-F300 HydrophobicContact CG1-CD1 4.41Å; V276-F300 HydrophobicContact CG1-CG 4.18Å; V276-F300 HydrophobicContact CG2-CD1 4.39Å; V276-F300 HydrophobicContact CG2-CD2 3.67Å; V276-F300 HydrophobicContact CG2-CE1 4.32Å; V276-F300 HydrophobicContact CG2-CE2 3.6Å; V276-F300 HydrophobicContact CG2-CG 4.07Å; V276-F300 HydrophobicContact CG2-CZ 3.93Å; F300-T302 HydrophobicContact CE1-CG2 4.19Å; F300-T302 HydrophobicContact CZ-CG2 4.08Å; F300-L340 HydrophobicContact CB-CD1 3.89Å; F300-L340 HydrophobicContact CB-CD2 4.12Å; F300-L340 HydrophobicContact CB-CG 4.11Å; F300-L340 HydrophobicContact CD1-CD2 4.11Å; F300-A341 PolarHBondContact N-O 3.22Å; F300-A341 VanDerWaalsContact O-O 3.14Å; F300-G342 CarbonylContact O-C 3.5Å; F300-G342 WeakPolarHBondContact O-CA 3.14Å; F300-K343 PolarHBondContact O-N 3.04Å; F300-G344 PolarHBondContact O-N 2.71Å
301S92.6Very high80Confident64 Ų6481 Ų8145%0.44838%0.383SS..EExtended strand (participates in β ladder)trans-153.5127.1175.2-65.40000108.4K343 G344S301-K343 PolarHBondContact OG-N 3.37Å; S301-G344 WeakPolarHBondContact CA-O 3.48Å
302T89.5Confident78.1Confident60 Ų6078.5 Ų78.537%0.36838%0.378SS..  trans-122168.7176.3-172.20000110F300 K343 G344 A345F300-T302 HydrophobicContact CE1-CG2 4.19Å; F300-T302 HydrophobicContact CZ-CG2 4.08Å; T302-K343 WeakPolarHBondContact O-CE 3.47Å; T302-G344 PolarHBondContact N-O 3.42Å; T302-A345 HydrophobicContact CG2-CB 3.74Å
303Q82.8Confident76.3Confident128 Ų12880.7 Ų80.760%0.59839%0.386SS*.  trans-68.4136.1172.6-170.5174.50.400109.3K305Q303-K305 PolarHBondContact O-N 3.29Å
304Y75.9Confident74.4Confident30 Ų3079.1 Ų79.112%0.11838%0.377CS..  trans-70.2123.9173.7176-123.8000108.4L314 A345 P347 F388Y304-L314 HydrophobicContact CD1-CD1 3.77Å; Y304-L314 HydrophobicContact CD1-CD2 3.73Å; Y304-L314 HydrophobicContact CD1-CG 4.15Å; Y304-L314 HydrophobicContact CE1-CD1 3.72Å; Y304-L314 HydrophobicContact CE1-CD2 4.39Å; Y304-L314 WeakPolarHBondContact O-CD2 3.21Å; Y304-A345 WeakPolarHBondContact CD2-O 3.35Å; Y304-P347 HydrophobicContact CD1-CB 4.26Å; Y304-P347 HydrophobicContact CD1-CG 3.78Å; Y304-P347 HydrophobicContact CD2-CG 4.15Å; Y304-P347 HydrophobicContact CE1-CG 3.97Å; Y304-P347 HydrophobicContact CE2-CG 4.32Å; Y304-P347 HydrophobicContact CG-CB 4.41Å; Y304-P347 HydrophobicContact CG-CG 3.91Å; Y304-F388 HydrophobicContact CE2-CD2 4.12Å; Y304-F388 HydrophobicContact CE2-CE2 4.37Å; Y304-F388 AromaticContact CZ-CD2 3.9Å
305K69.9Low72.7Confident180 Ų18083.1 Ų83.178%0.78339%0.394SS*.  trans-98.1104.2173-65.3-177-179.6179.60107.8Q303Q303-K305 PolarHBondContact O-N 3.29Å
306S65.4Low71Confident13 Ų1385.6 Ų85.69%0.09141%0.407CS..  trans-77.2167.2165.959.30000110.6
307G56.1Low69Low30 Ų3081.4 Ų81.431%0.30939%0.39SS..  trans-56.9152.7170.200000112.5Y309 F310G307-Y309 PolarHBondContact O-N 2.89Å; G307-F310 PolarHBondContact O-N 3.16Å; G307-F310 VanDerWaalsContact O-N 3.09Å
308F46.8Very low67.2Low195 Ų19582.9 Ų82.986%0.85540%0.395SS*.THydrogen-bonded Turntrans-51.3-7.8-170.6-89.1-89.8000117.6
309Y49.1Very low65.6Low198 Ų19889.9 Ų89.978%0.77642%0.419SS*.THydrogen-bonded Turntrans-109.76.8-179.8-75.7-79.5000114.7G307G307-Y309 PolarHBondContact O-N 2.89Å
310F54Low63.8Low13 Ų1388.4 Ų88.46%0.05741%0.409CS..  trans-122.82-170.8-157.6-101.5000115.3G307 D312 K313 L314 I317 A399 E400 Q403G307-F310 PolarHBondContact O-N 3.16Å; G307-F310 VanDerWaalsContact O-N 3.09Å; F310-D312 PolarHBondContact O-N 2.87Å; F310-K313 HydrophobicContact CE1-CB 4.37Å; F310-K313 HydrophobicContact CE2-CB 4.09Å; F310-K313 HydrophobicContact CE2-CD 4.24Å; F310-K313 HydrophobicContact CZ-CB 3.86Å; F310-K313 HydrophobicContact CZ-CD 4.44Å; F310-L314 HydrophobicContact CD1-CB 4.47Å; F310-L314 HydrophobicContact CD1-CD1 3.49Å; F310-L314 VanDerWaalsContact CD1-CD1 3.49Å; F310-L314 HydrophobicContact CE1-CD1 3.74Å; F310-L314 WeakPolarHBondContact O-CB 3.49Å; F310-L314 PolarHBondContact O-N 2.94Å; F310-L314 VanDerWaalsContact O-N 3.09Å; F310-I317 HydrophobicContact CE1-CD1 3.8Å; F310-I317 HydrophobicContact CZ-CD1 3.83Å; F310-A399 HydrophobicContact CE1-CB 3.77Å; F310-A399 HydrophobicContact CE2-CB 3.71Å; F310-A399 WeakPolarHBondContact CE2-O 3.27Å; F310-A399 HydrophobicContact CZ-CB 3.15Å; F310-E400 HydrophobicContact CB-CG 4.48Å; F310-E400 HydrophobicContact CD2-CG 4.06Å; F310-E400 HydrophobicContact CG-CG 4.11Å; F310-Q403 HydrophobicContact CE2-CB 4.45Å
311E53.7Low62Low109 Ų10987.8 Ų87.851%0.50941%0.407SS..Hα-helixtrans-62.1-38.2-171-71.3-168.4166.800115L314 K315E311-L314 VanDerWaalsContact O-CB 3.26Å; E311-L314 WeakPolarHBondContact O-CB 3.48Å; E311-L314 PolarHBondContact O-N 3.1Å; E311-K315 PolarHBondContact O-N 3.18Å
312D52.6Low60.2Low129 Ų12988 Ų8869%0.6941%0.409SS*.Hα-helixtrans-74.7-35.8-174.7-76.6-25.6000113.2F310 L314 K315F310-D312 PolarHBondContact O-N 2.87Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-K315 IonicContact OD1-NZ 3.34Å
313K53.9Low58.4Low68 Ų6895.5 Ų95.530%0.29643%0.43SS..Hα-helixtrans-73-29.8172-115.1175.9-179.9178.70111.2F310 K315 E316 I317 E406F310-K313 HydrophobicContact CE1-CB 4.37Å; F310-K313 HydrophobicContact CE2-CB 4.09Å; F310-K313 HydrophobicContact CE2-CD 4.24Å; F310-K313 HydrophobicContact CZ-CB 3.86Å; F310-K313 HydrophobicContact CZ-CD 4.44Å; K313-K315 PolarHBondContact O-N 3.4Å; K313-E316 WeakPolarHBondContact O-CB 3.44Å; K313-E316 PolarHBondContact O-N 2.83Å; K313-E316 VanDerWaalsContact O-N 3.1Å; K313-I317 WeakPolarHBondContact O-CG1 3.46Å; K313-I317 PolarHBondContact O-N 3.45Å; K313-E406 IonicContact NZ-OE2 2.75Å
314L54.6Low57Low15 Ų1597.5 Ų97.58%0.07943%0.432CS..Hα-helixtrans-57.2-47.1174.4-14684.1000111.9Y304 F310 E311 D312 E316 I317 E318Y304-L314 HydrophobicContact CD1-CD1 3.77Å; Y304-L314 HydrophobicContact CD1-CD2 3.73Å; Y304-L314 HydrophobicContact CD1-CG 4.15Å; Y304-L314 HydrophobicContact CE1-CD1 3.72Å; Y304-L314 HydrophobicContact CE1-CD2 4.39Å; Y304-L314 WeakPolarHBondContact O-CD2 3.21Å; F310-L314 HydrophobicContact CD1-CB 4.47Å; F310-L314 HydrophobicContact CD1-CD1 3.49Å; F310-L314 VanDerWaalsContact CD1-CD1 3.49Å; F310-L314 HydrophobicContact CE1-CD1 3.74Å; F310-L314 WeakPolarHBondContact O-CB 3.49Å; F310-L314 PolarHBondContact O-N 2.94Å; F310-L314 VanDerWaalsContact O-N 3.09Å; E311-L314 VanDerWaalsContact O-CB 3.26Å; E311-L314 WeakPolarHBondContact O-CB 3.48Å; E311-L314 PolarHBondContact O-N 3.1Å; D312-L314 VanDerWaalsContact C-N 3.34Å; L314-E316 PolarHBondContact O-N 2.87Å; L314-I317 PolarHBondContact O-N 2.81Å; L314-E318 WeakPolarHBondContact O-CB 3.19Å; L314-E318 WeakPolarHBondContact O-CG 3.45Å; L314-E318 PolarHBondContact O-N 2.8Å
315K60.8Low55.8Low93 Ų93102.8 Ų102.840%0.40445%0.452SS..Hα-helixtrans-60.5-34176.6-69.4172.2-173.2156.90112.1E311 D312 K313 R319E311-K315 PolarHBondContact O-N 3.18Å; D312-K315 IonicContact OD1-NZ 3.34Å; K313-K315 PolarHBondContact O-N 3.4Å; K315-R319 WeakPolarHBondContact O-CB 3.04Å; K315-R319 VanDerWaalsContact O-CG 3.28Å; K315-R319 WeakPolarHBondContact O-CG 3.42Å; K315-R319 PolarHBondContact O-N 2.92Å; K315-R319 VanDerWaalsContact O-N 3.09Å
316E59.9Low54.7Low92 Ų9299 Ų9943%0.4345%0.449SS..Hα-helixtrans-72.9-39.3177.7-148.3-164.3140.600112K313 L314 R319 R320K313-E316 WeakPolarHBondContact O-CB 3.44Å; K313-E316 PolarHBondContact O-N 2.83Å; K313-E316 VanDerWaalsContact O-N 3.1Å; L314-E316 PolarHBondContact O-N 2.87Å; E316-R319 PolarHBondContact O-N 2.89Å; E316-R320 VanDerWaalsContact CD-NH2 3.35Å; E316-R320 PolarHBondContact O-N 2.69Å; E316-R320 IonicContact OE1-CZ 3.34Å; E316-R320 IonicContact OE1-NE 3.84Å; E316-R320 IonicContact OE1-NH2 3.77Å; E316-R320 PolarHBondContact OE1-NH2 3.02Å; E316-R320 IonicContact OE2-NH2 2.76Å
317I54.3Low54Low29 Ų29105.3 Ų105.315%0.14948%0.481CS..Hα-helixtrans-65.3-46.1174-66.8164.2000110.3F310 K313 L314 R319 R320 N321 A390 A399F310-I317 HydrophobicContact CE1-CD1 3.8Å; F310-I317 HydrophobicContact CZ-CD1 3.83Å; K313-I317 WeakPolarHBondContact O-CG1 3.46Å; K313-I317 PolarHBondContact O-N 3.45Å; L314-I317 PolarHBondContact O-N 2.81Å; I317-R319 VanDerWaalsContact C-N 3.26Å; I317-R319 PolarHBondContact O-N 3.04Å; I317-R320 PolarHBondContact O-N 3.09Å; I317-R320 VanDerWaalsContact O-N 3.15Å; I317-N321 WeakPolarHBondContact O-CB 3.34Å; I317-N321 VanDerWaalsContact O-CG 3.29Å; I317-N321 PolarHBondContact O-N 3.14Å; I317-A390 HydrophobicContact CG2-CB 4.15Å; I317-A399 HydrophobicContact CD1-CB 4.44Å
318E57.7Low53.9Low56 Ų56108.3 Ų108.326%0.26249%0.489SS..Hα-helixtrans-57.7-39.6175.1-74.5-178.5156.800111.7L314 S322L314-E318 WeakPolarHBondContact O-CB 3.19Å; L314-E318 WeakPolarHBondContact O-CG 3.45Å; L314-E318 PolarHBondContact O-N 2.8Å; E318-S322 WeakPolarHBondContact O-CB 3.27Å; E318-S322 PolarHBondContact O-N 3.14Å; E318-S322 PolarHBondContact O-OG 3.26Å
319R61.4Low54.2Low178 Ų178107.9 Ų107.967%0.67249%0.487SS*.Hα-helixtrans-66.9-42.3174.7-80.2176.8170.3137-1.6113K315 E316 I317K315-R319 WeakPolarHBondContact O-CB 3.04Å; K315-R319 VanDerWaalsContact O-CG 3.28Å; K315-R319 WeakPolarHBondContact O-CG 3.42Å; K315-R319 PolarHBondContact O-N 2.92Å; K315-R319 VanDerWaalsContact O-N 3.09Å; E316-R319 PolarHBondContact O-N 2.89Å; I317-R319 VanDerWaalsContact C-N 3.26Å; I317-R319 PolarHBondContact O-N 3.04Å
320R56.9Low54.9Low137 Ų137102.8 Ų102.852%0.51749%0.486SS..Hα-helixtrans-66.2-42.3176.3-77.3-170.3-133134.34.2111.8E316 I317 S322 R323 R324E316-R320 VanDerWaalsContact CD-NH2 3.35Å; E316-R320 PolarHBondContact O-N 2.69Å; E316-R320 IonicContact OE1-CZ 3.34Å; E316-R320 IonicContact OE1-NE 3.84Å; E316-R320 IonicContact OE1-NH2 3.77Å; E316-R320 PolarHBondContact OE1-NH2 3.02Å; E316-R320 IonicContact OE2-NH2 2.76Å; I317-R320 PolarHBondContact O-N 3.09Å; I317-R320 VanDerWaalsContact O-N 3.15Å; R320-S322 VanDerWaalsContact C-N 3.34Å; R320-S322 PolarHBondContact O-N 2.96Å; R320-R323 WeakPolarHBondContact O-CB 3.3Å; R320-R323 PolarHBondContact O-N 3.43Å; R320-R323 VanDerWaalsContact O-N 3.1Å; R320-R324 PolarHBondContact O-N 3.45Å
321N53.4Low56Low26 Ų26106.8 Ų106.814%0.13951%0.506CS..Hα-helixtrans-70-32.5-179.6-67.6-12.2000112.3I317 R323 R324 N348 A390I317-N321 WeakPolarHBondContact O-CB 3.34Å; I317-N321 VanDerWaalsContact O-CG 3.29Å; I317-N321 PolarHBondContact O-N 3.14Å; N321-R323 PolarHBondContact O-N 2.78Å; N321-R323 VanDerWaalsContact O-N 3.16Å; N321-R324 PolarHBondContact O-N 3.47Å; N321-N348 PolarHBondContact ND2-ND2 2.91Å; N321-N348 PolarHBondContact ND2-OD1 2.92Å; N321-N348 VanDerWaalsContact ND2-OD1 3.13Å; N321-A390 WeakPolarHBondContact ND2-CB 3.43Å; N321-A390 WeakPolarHBondContact OD1-CB 3.27Å
322S54.8Low57.8Low69 Ų69106 Ų10648%0.48350%0.501SS..Hα-helixtrans-59.8-24171.8-640000112.9E318 R320 R325E318-S322 WeakPolarHBondContact O-CB 3.27Å; E318-S322 PolarHBondContact O-N 3.14Å; E318-S322 PolarHBondContact O-OG 3.26Å; R320-S322 VanDerWaalsContact C-N 3.34Å; R320-S322 PolarHBondContact O-N 2.96Å; S322-R325 WeakPolarHBondContact O-CB 3.37Å
323R52.1Low59.6Low218 Ų218100 Ų10082%0.82347%0.469SS*.Hα-helixtrans-87.6-23.5177.3-64.6-179.7-174.8-176.90.8114.2R320 N321 R325R320-R323 WeakPolarHBondContact O-CB 3.3Å; R320-R323 PolarHBondContact O-N 3.43Å; R320-R323 VanDerWaalsContact O-N 3.1Å; N321-R323 PolarHBondContact O-N 2.78Å; N321-R323 VanDerWaalsContact O-N 3.16Å; R323-R325 PolarHBondContact O-N 2.82Å
324R53.5Low61.3Low170 Ų170100.8 Ų100.864%0.64248%0.481SS*.SBendtrans-83.93.2174.5-72.6-173.2175.7178.60.1113.3R320 N321 S326R320-R324 PolarHBondContact O-N 3.45Å; N321-R324 PolarHBondContact O-N 3.47Å; R324-S326 VanDerWaalsContact C-N 3.28Å; R324-S326 PolarHBondContact O-N 2.72Å
325R51.6Low62.7Low141 Ų141101.8 Ų101.853%0.53249%0.492SS..G310 helixtrans-77.3-2.5-164.5-141.9175.2-172.5172.20.8114.9S322 R323 D327S322-R325 WeakPolarHBondContact O-CB 3.37Å; R323-R325 PolarHBondContact O-N 2.82Å; R325-D327 PolarHBondContact O-N 3Å
326S46.8Very low64.1Low101 Ų10197.4 Ų97.471%0.70647%0.473SS*.G310 helixtrans-73-21.2-171.652.60000115R324R324-S326 VanDerWaalsContact C-N 3.28Å; R324-S326 PolarHBondContact O-N 2.72Å
327D50.7Low65.6Low145 Ų14593.9 Ų93.978%0.77546%0.455SS*.G310 helixtrans-115.610-171-63.8-36.7000115.3R325 K329R325-D327 PolarHBondContact O-N 3Å; D327-K329 PolarHBondContact O-N 3.15Å
328L53.5Low67.3Low92 Ų9293.5 Ų93.548%0.48246%0.455SS..  trans-78.277.5173.3-67.8166.6000109.4A330 M331L328-A330 PolarHBondContact O-N 3.19Å; L328-M331 HydrophobicContact CD2-SD 4.2Å
329K53Low69Low187 Ų18790.8 Ų90.881%0.81344%0.442SS*.  trans-40.3139.5154-173174.6-176.4178.50107.2D327 M331D327-K329 PolarHBondContact O-N 3.15Å; K329-M331 VanDerWaalsContact O-CG 3.26Å; K329-M331 WeakPolarHBondContact O-CG 3.43Å; K329-M331 PolarHBondContact O-N 3.18Å
330A63.7Low70.6Confident91 Ų9182.3 Ų82.375%0.75241%0.41SS*.  trans-5782.6-174.300000112L328L328-A330 PolarHBondContact O-N 3.19Å
331M77.9Confident72.4Confident97 Ų9776.4 Ų76.448%0.47839%0.391SS..PPolyproline II helixtrans-74.4131.2-178.6-60.9178.972.400106.9L328 K329 W451L328-M331 HydrophobicContact CD2-SD 4.2Å; K329-M331 VanDerWaalsContact O-CG 3.26Å; K329-M331 WeakPolarHBondContact O-CG 3.43Å; K329-M331 PolarHBondContact O-N 3.18Å; M331-W451 HydrophobicContact CB-CH2 3.77Å; M331-W451 HydrophobicContact CB-CZ3 4.37Å; M331-W451 HydrophobicContact CE-CH2 4.2Å; M331-W451 HydrophobicContact CE-CZ2 4.27Å
332K90.1Very high74.3Confident91 Ų9175.2 Ų75.240%0.39638%0.384SS..PPolyproline II helixtrans-98.1145.5174.7-69.7-59.2-172.1-178.60109.5W288 D448 D449W288-K332 HydrophobicContact CD2-CB 4.26Å; W288-K332 HydrophobicContact CD2-CG 4.5Å; W288-K332 HydrophobicContact CH2-CD 3.87Å; W288-K332 HydrophobicContact CH2-CG 4.39Å; W288-K332 HydrophobicContact CZ2-CB 3.92Å; W288-K332 HydrophobicContact CZ2-CD 3.84Å; W288-K332 HydrophobicContact CZ2-CG 4.15Å; W288-K332 HydrophobicContact CZ3-CD 4.45Å; K332-D448 WeakPolarHBondContact CA-O 3.46Å; K332-D449 IonicContact NZ-OD1 2.92Å; K332-D449 PolarHBondContact NZ-OD1 2.58Å
333N91.4Very high76Confident3 Ų373.6 Ų73.62%0.01637%0.369CS..PPolyproline II helixtrans-51.4121.7177.3-176.5-24.1000110.3W288 A335 G336 T338 T447 D448 W451W288-N333 PolarHBondContact NE1-O 3.28Å; N333-A335 PolarHBondContact O-N 3.12Å; N333-A335 WeakPolarHBondContact OD1-CB 3.32Å; N333-A335 PolarHBondContact OD1-N 3.45Å; N333-G336 PolarHBondContact O-N 3.47Å; N333-T338 WeakPolarHBondContact ND2-CG2 3.49Å; N333-T447 VanDerWaalsContact CB-O 3.3Å; N333-T447 WeakPolarHBondContact CB-O 3.29Å; N333-T447 PolarHBondContact ND2-O 3.47Å; N333-D448 PolarHBondContact N-O 3.12Å; N333-W451 HydrophobicContact CB-CE3 3.93Å
334P88.8Confident78Confident86 Ų8663.2 Ų63.256%0.55833%0.329SS*.THydrogen-bonded Turntrans-62.3-25.6-17624.8-34.2000112.6G336 F440 W451P334-G336 PolarHBondContact O-N 2.99Å; P334-F440 HydrophobicContact CG-CD2 4.19Å; P334-W451 VanDerWaalsContact CD-CE2 3.47Å
335A84.3Confident79.7Confident36 Ų3656.2 Ų56.230%0.29831%0.308SS..THydrogen-bonded Turntrans-76.7-1.3176.400000114.1K286 N333 F440K286-A335 WeakPolarHBondContact CE-O 3.3Å; N333-A335 PolarHBondContact O-N 3.12Å; N333-A335 WeakPolarHBondContact OD1-CB 3.32Å; N333-A335 PolarHBondContact OD1-N 3.45Å; A335-F440 HydrophobicContact CB-CE1 4.05Å; A335-F440 HydrophobicContact CB-CE2 3.78Å; A335-F440 HydrophobicContact CB-CZ 3.46Å; A335-F440 VanDerWaalsContact CB-CZ 3.46Å
336G89.8Confident81.5Confident1 Ų149.5 Ų49.51%0.0128%0.283CS..  trans102.4-167.5178.500000114.7K286 W288 N333 P334K286-G336 CarbonylContact O-C 3.59Å; K286-G336 VanDerWaalsContact O-CA 3.3Å; K286-G336 WeakPolarHBondContact O-CA 3.17Å; W288-G336 VanDerWaalsContact NE1-CA 3.33Å; N333-G336 PolarHBondContact O-N 3.47Å; P334-G336 PolarHBondContact O-N 2.99Å
337R91.8Very high83.4Confident17 Ų1745.6 Ų45.66%0.06426%0.255CS..  trans-62.3141175.3-65.6179.3-171.890.56.6110.9V281 D285 K286 S287 W288 K290 Y295V281-R337 HydrophobicContact CG1-CB 3.91Å; V281-R337 HydrophobicContact CG2-CB 4.28Å; D285-R337 PolarHBondContact O-NH1 3.34Å; K286-R337 WeakPolarHBondContact CE-O 3.32Å; K286-R337 WeakPolarHBondContact CG-O 3.32Å; K286-R337 PolarHBondContact O-N 2.75Å; S287-R337 PolarHBondContact O-NH1 3.13Å; W288-R337 HydrophobicContact CD2-CG 4.21Å; W288-R337 HydrophobicContact CE3-CG 3.82Å; W288-R337 HydrophobicContact CH2-CB 4.45Å; W288-R337 HydrophobicContact CH2-CG 3.62Å; W288-R337 HydrophobicContact CZ2-CG 4.01Å; W288-R337 HydrophobicContact CZ3-CG 3.52Å; K290-R337 PolarHBondContact O-NH1 3.34Å; K290-R337 PolarHBondContact O-NH2 3.03Å; K290-R337 VanDerWaalsContact O-NH2 3.07Å; Y295-R337 HydrophobicContact CD1-CG 4.12Å; Y295-R337 HydrophobicContact CE1-CB 4.17Å; Y295-R337 HydrophobicContact CE1-CG 3.63Å; Y295-R337 HydrophobicContact CE2-CB 4.22Å; Y295-R337 HydrophobicContact CE2-CG 4.26Å
338T91.2Very high85.2Confident21 Ų2140.7 Ų40.713%0.12923%0.229CC..  trans-122.5-3.2-177.272.10000113.1R278 N333 L340 T447 D448R278-T338 PolarHBondContact NH1-O 2.76Å; R278-T338 PolarHBondContact NH1-OG1 2.83Å; N333-T338 WeakPolarHBondContact ND2-CG2 3.49Å; T338-L340 VanDerWaalsContact C-N 3.28Å; T338-L340 PolarHBondContact O-N 2.92Å; T338-L340 PolarHBondContact OG1-N 3.3Å; T338-L340 PolarHBondContact OG1-O 2.99Å; T338-T447 VanDerWaalsContact CG2-C 3.5Å; T338-T447 WeakPolarHBondContact CG2-O 3.46Å; T338-T447 WeakPolarHBondContact OG1-CA 3.37Å; T338-D448 WeakPolarHBondContact CA-OD1 3.48Å; T338-D448 WeakPolarHBondContact CB-OD1 3.14Å; T338-D448 PolarHBondContact N-OD1 3.07Å; T338-D448 PolarHBondContact OG1-N 3.27Å; T338-D448 PolarHBondContact OG1-OD1 3.34Å
339G92.5Very high87Confident0 Ų039.5 Ų39.50%022%0.222CC..SBendtrans78.29.2-177.100000114.4L279 Y295L279-G339 WeakPolarHBondContact CB-O 3.42Å; L279-G339 PolarHBondContact N-O 2.75Å; L279-G339 VanDerWaalsContact O-CA 3.24Å; L279-G339 WeakPolarHBondContact O-CA 3.44Å; Y295-G339 WeakPolarHBondContact OH-CA 3.47Å; Y295-G339 PolarHBondContact OH-N 3.14Å; Y295-G339 VanDerWaalsContact OH-N 3.1Å
340L94Very high88.8Confident0 Ų030.8 Ų30.80%019%0.186CC..EExtended strand (participates in β ladder)trans-149129-178.8-16172000110.5Y271 V276 R278 L298 F300 T338 T447 D448Y271-L340 HydrophobicContact CD2-CD2 3.27Å; Y271-L340 HydrophobicContact CE2-CD2 3.67Å; Y271-L340 HydrophobicContact CG-CD2 3.97Å; V276-L340 HydrophobicContact CG1-CD1 3.85Å; R278-L340 HydrophobicContact CG-CB 4.33Å; L298-L340 HydrophobicContact CB-CD1 4.13Å; L298-L340 HydrophobicContact CD2-CD1 4.43Å; L298-L340 HydrophobicContact CG-CD1 4.42Å; L298-L340 WeakPolarHBondContact O-CD1 3.44Å; F300-L340 HydrophobicContact CB-CD1 3.89Å; F300-L340 HydrophobicContact CB-CD2 4.12Å; F300-L340 HydrophobicContact CB-CG 4.11Å; F300-L340 HydrophobicContact CD1-CD2 4.11Å; T338-L340 VanDerWaalsContact C-N 3.28Å; T338-L340 PolarHBondContact O-N 2.92Å; T338-L340 PolarHBondContact OG1-N 3.3Å; T338-L340 PolarHBondContact OG1-O 2.99Å; L340-T447 HydrophobicContact CB-CG2 4.49Å; L340-T447 HydrophobicContact CD2-CG2 4.06Å; L340-T447 HydrophobicContact CG-CG2 4.49Å; L340-T447 WeakPolarHBondContact O-CB 3.27Å; L340-D448 WeakPolarHBondContact O-CB 3.12Å; L340-D448 VanDerWaalsContact O-CG 3.3Å; L340-D448 PolarHBondContact O-N 2.8Å
341A94.6Very high90.1Very high13 Ų1328.7 Ų28.711%0.10716%0.164CC..EExtended strand (participates in β ladder)trans-99.7168.5174.400000111.5P297 L298 K299 F300P297-A341 HydrophobicContact CG-CB 4.04Å; L298-A341 PolarHBondContact O-N 3.49Å; K299-A341 CarbonylContact C-O 3.43Å; K299-A341 WeakPolarHBondContact CA-O 3.41Å; K299-A341 HydrophobicContact CB-CB 4.31Å; K299-A341 HydrophobicContact CG-CB 4.44Å; F300-A341 PolarHBondContact N-O 3.22Å; F300-A341 VanDerWaalsContact O-O 3.14Å
342G93.3Very high90.8Very high1 Ų124.3 Ų24.31%0.0114%0.142CC..EExtended strand (participates in β ladder)trans82.9-175.8-173.500000112.5F300 G344 T447 D449F300-G342 CarbonylContact O-C 3.5Å; F300-G342 WeakPolarHBondContact O-CA 3.14Å; G342-G344 VanDerWaalsContact C-N 3.32Å; G342-G344 PolarHBondContact O-N 3.19Å; G342-T447 VanDerWaalsContact O-CB 3.25Å; G342-T447 WeakPolarHBondContact O-CB 3.28Å; G342-T447 PolarHBondContact O-OG1 3.01Å; G342-D449 PolarHBondContact N-OD2 3.16Å
343K91.9Very high90.8Very high34 Ų3422.1 Ų22.115%0.14813%0.133CC..EExtended strand (participates in β ladder)trans-82.9-4.6-176.967.1172.4-167.9141.10114.8F300 S301 T302 A345 L346 P347 L349 A450F300-K343 PolarHBondContact O-N 3.04Å; S301-K343 PolarHBondContact OG-N 3.37Å; T302-K343 WeakPolarHBondContact O-CE 3.47Å; K343-A345 PolarHBondContact O-N 2.87Å; K343-L346 WeakPolarHBondContact CD-O 3.38Å; K343-L346 PolarHBondContact NZ-O 3.02Å; K343-L346 WeakPolarHBondContact O-CB 3.09Å; K343-L346 PolarHBondContact O-N 3.01Å; K343-P347 PolarHBondContact NZ-O 2.92Å; K343-L349 HydrophobicContact CB-CD2 3.76Å; K343-L349 HydrophobicContact CB-CG 4.17Å; K343-A450 HydrophobicContact CB-CB 4.17Å
344G93.2Very high90.8Very high0 Ų022.2 Ų22.20%013%0.134CC..EExtended strand (participates in β ladder)trans54-128-171.500000111.4F300 S301 T302 G342F300-G344 PolarHBondContact O-N 2.71Å; S301-G344 WeakPolarHBondContact CA-O 3.48Å; T302-G344 PolarHBondContact N-O 3.42Å; G342-G344 VanDerWaalsContact C-N 3.32Å; G342-G344 PolarHBondContact O-N 3.19Å
345A89.8Confident91Very high23 Ų2318.2 Ų18.219%0.1911%0.107CC..THydrogen-bonded Turntrans-100.29.9176.500000113.1Y271 T302 Y304 K343Y271-A345 HydrophobicContact CE1-CB 3.81Å; Y271-A345 WeakPolarHBondContact OH-CB 3.42Å; Y271-A345 PolarHBondContact OH-N 3.48Å; T302-A345 HydrophobicContact CG2-CB 3.74Å; Y304-A345 WeakPolarHBondContact CD2-O 3.35Å; K343-A345 PolarHBondContact O-N 2.87Å
346L89.6Confident91.3Very high0 Ų016.5 Ų16.50%09%0.093CC..SBendtrans-77.9154.1174.9-65.9174.2000111.1K343 N348 F388 R445 A450 V452K343-L346 WeakPolarHBondContact CD-O 3.38Å; K343-L346 PolarHBondContact NZ-O 3.02Å; K343-L346 WeakPolarHBondContact O-CB 3.09Å; K343-L346 PolarHBondContact O-N 3.01Å; L346-N348 PolarHBondContact O-N 3.15Å; L346-F388 HydrophobicContact CD2-CE1 4.24Å; L346-F388 HydrophobicContact CD2-CE2 4.28Å; L346-F388 HydrophobicContact CD2-CZ 3.68Å; L346-R445 HydrophobicContact CD2-CB 3.81Å; L346-R445 HydrophobicContact CG-CB 4.02Å; L346-A450 HydrophobicContact CB-CB 4.34Å; L346-A450 HydrophobicContact CD1-CB 3.76Å; L346-V452 HydrophobicContact CD1-CG2 4.27Å; L346-V452 HydrophobicContact CD2-CG2 3.74Å
347P86.6Confident91.3Very high19 Ų1916.4 Ų16.412%0.1239%0.093CC..SBendtrans-55.1-50.1178.4-25.731.6000113.3Y304 K343 N352 F388Y304-P347 HydrophobicContact CD1-CB 4.26Å; Y304-P347 HydrophobicContact CD1-CG 3.78Å; Y304-P347 HydrophobicContact CD2-CG 4.15Å; Y304-P347 HydrophobicContact CE1-CG 3.97Å; Y304-P347 HydrophobicContact CE2-CG 4.32Å; Y304-P347 HydrophobicContact CG-CB 4.41Å; Y304-P347 HydrophobicContact CG-CG 3.91Å; K343-P347 PolarHBondContact NZ-O 2.92Å; P347-N352 VanDerWaalsContact CD-OD1 3.28Å; P347-N352 WeakPolarHBondContact CD-OD1 3.12Å; P347-F388 HydrophobicContact CG-CB 3.92Å; P347-F388 HydrophobicContact CG-CD2 4.04Å; P347-F388 HydrophobicContact CG-CG 3.94Å
348N88.2Confident91.1Very high43 Ų4316.2 Ų16.223%0.239%0.093CC..SBendtrans-128163.6-170.7-54.9-64.5000112.4N321 L346 N352 A450N321-N348 PolarHBondContact ND2-ND2 2.91Å; N321-N348 PolarHBondContact ND2-OD1 2.92Å; N321-N348 VanDerWaalsContact ND2-OD1 3.13Å; L346-N348 PolarHBondContact O-N 3.15Å; N348-N352 PolarHBondContact N-OD1 3.39Å; N348-N352 PolarHBondContact O-ND2 3.37Å; N348-N352 PolarHBondContact O-OD1 3.31Å; N348-A450 WeakPolarHBondContact O-CB 3.45Å
349L91Very high90.9Very high66 Ų6615.4 Ų15.435%0.3469%0.088SC..SBendtrans-74.2152.3162.7-69166.2000109.6K343 D449K343-L349 HydrophobicContact CB-CD2 3.76Å; K343-L349 HydrophobicContact CB-CG 4.17Å; L349-D449 HydrophobicContact CD2-CB 3.87Å
350G91.6Very high90.6Very high4 Ų416.4 Ų16.44%0.0419%0.093CC..EExtended strand (participates in β ladder)trans76.8-140.5-176.400000112.6N352 D449 A450 W451G350-N352 PolarHBondContact O-ND2 3.41Å; G350-N352 VanDerWaalsContact O-ND2 3.1Å; G350-D449 PolarHBondContact N-O 3.13Å; G350-A450 CarbonylContact O-C 3.51Å; G350-A450 VanDerWaalsContact O-CA 3.27Å; G350-A450 WeakPolarHBondContact O-CA 3.27Å; G350-W451 PolarHBondContact O-N 3.16Å
351V90.9Very high90Very high48 Ų4817 Ų1729%0.29110%0.095SC..EExtended strand (participates in β ladder)trans-70129.4-179.3-176.30000110.8Q353 W451 E453V351-Q353 HydrophobicContact CG1-CG 3.87Å; V351-W451 HydrophobicContact CG2-CZ2 3.53Å; V351-E453 HydrophobicContact CG1-CB 3.85Å; V351-E453 HydrophobicContact CG1-CG 3.75Å; V351-E453 WeakPolarHBondContact CG1-OE2 3.43Å; V351-E453 WeakPolarHBondContact CG2-OE1 3.29Å
352N91.4Very high89.4Confident4 Ų417.5 Ų17.52%0.02110%0.096CC..EExtended strand (participates in β ladder)trans-115.7105168.9-67.4-96.1000108.7P347 N348 G350 L354 F388 W451 V452 E453P347-N352 VanDerWaalsContact CD-OD1 3.28Å; P347-N352 WeakPolarHBondContact CD-OD1 3.12Å; N348-N352 PolarHBondContact N-OD1 3.39Å; N348-N352 PolarHBondContact O-ND2 3.37Å; N348-N352 PolarHBondContact O-OD1 3.31Å; G350-N352 PolarHBondContact O-ND2 3.41Å; G350-N352 VanDerWaalsContact O-ND2 3.1Å; N352-L354 PolarHBondContact O-N 3.03Å; N352-F388 HydrophobicContact CB-CD1 3.94Å; N352-F388 HydrophobicContact CB-CE1 3.84Å; N352-W451 WeakPolarHBondContact CB-O 3.46Å; N352-W451 PolarHBondContact N-O 3.12Å; N352-W451 PolarHBondContact ND2-O 2.98Å; N352-V452 WeakPolarHBondContact O-CA 3.35Å; N352-E453 PolarHBondContact O-N 2.7Å; N352-E453 VanDerWaalsContact O-N 3.08Å
353Q91.1Very high89Confident46 Ų4619.2 Ų19.222%0.21511%0.105CC..EExtended strand (participates in β ladder)trans-78.6120.5-176-65.8-179.9-48.600110.8V351 F388 E389 E453V351-Q353 HydrophobicContact CG1-CG 3.87Å; Q353-F388 CarbonylContact O-C 3.56Å; Q353-F388 VanDerWaalsContact O-CA 3.32Å; Q353-F388 WeakPolarHBondContact O-CA 3.3Å; Q353-E389 PolarHBondContact O-N 3.14Å; Q353-E453 CarbonylContact C-O 3.35Å; Q353-E453 VanDerWaalsContact CA-O 3.3Å; Q353-E453 WeakPolarHBondContact CA-O 3.15Å
354L91.5Very high88.6Confident5 Ų525 Ų253%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-99107.3175.2-176.262.5000108.6N352 I356 Q386 F388 V452 E453 V454 L455 P504N352-L354 PolarHBondContact O-N 3.03Å; L354-I356 HydrophobicContact CG-CG1 4.43Å; L354-Q386 HydrophobicContact CD1-CB 4.21Å; L354-Q386 VanDerWaalsContact CD2-OE1 3.26Å; L354-F388 HydrophobicContact CB-CD1 4.19Å; L354-F388 HydrophobicContact CB-CE1 4.05Å; L354-F388 HydrophobicContact CD1-CD1 4.26Å; L354-F388 HydrophobicContact CD1-CE1 4.28Å; L354-F388 HydrophobicContact CD1-CG 4.39Å; L354-F388 HydrophobicContact CD1-CZ 4.43Å; L354-V452 HydrophobicContact CB-CG1 3.87Å; L354-V452 HydrophobicContact CD2-CG1 4.12Å; L354-E453 PolarHBondContact N-O 2.98Å; L354-V454 HydrophobicContact CB-CG2 4.29Å; L354-V454 HydrophobicContact CD2-CG2 4.14Å; L354-V454 WeakPolarHBondContact O-CA 3.28Å; L354-L455 PolarHBondContact O-N 3.23Å; L354-P504 HydrophobicContact CD2-CB 3.66Å; L354-P504 HydrophobicContact CD2-CG 3.72Å
355V92.1Very high87.9Confident1 Ų127 Ų271%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-86.8125.1-177.6-179.20000109.1Q386 S387 E389 P392 L455V355-Q386 VanDerWaalsContact O-CA 3.27Å; V355-Q386 WeakPolarHBondContact O-CA 3.41Å; V355-S387 PolarHBondContact N-O 2.98Å; V355-S387 PolarHBondContact O-N 3.2Å; V355-E389 HydrophobicContact CG2-CB 3.71Å; V355-E389 HydrophobicContact CG2-CG 4.41Å; V355-P392 HydrophobicContact CG2-CB 3.76Å; V355-L455 WeakPolarHBondContact CA-O 3.41Å; V355-L455 HydrophobicContact CG2-CD2 4.5Å
356I91.2Very high87.4Confident0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-120.890.5178.5-48.4-176.9000108.9L354 L384 Q386 V454 L455 A456 T457 F502L354-I356 HydrophobicContact CG-CG1 4.43Å; I356-L384 HydrophobicContact CG2-CB 3.84Å; I356-L384 HydrophobicContact CG2-CD1 3.9Å; I356-Q386 HydrophobicContact CG1-CB 3.87Å; I356-V454 HydrophobicContact CD1-CG1 3.72Å; I356-V454 HydrophobicContact CD1-CG2 4.22Å; I356-V454 HydrophobicContact CG1-CG1 4.16Å; I356-L455 PolarHBondContact N-O 3.33Å; I356-A456 HydrophobicContact CB-CB 4.48Å; I356-A456 WeakPolarHBondContact O-CA 3.35Å; I356-T457 PolarHBondContact O-N 3.08Å; I356-F502 WeakPolarHBondContact CD1-O 3.38Å; I356-F502 HydrophobicContact CG2-CD1 4.39Å
357P90.8Very high86.9Confident0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-84.4116.8177.434.2-35.3000111.6L359 P385 L397 L401 Y459P357-L359 HydrophobicContact CB-CD2 4.46Å; P357-L359 PolarHBondContact O-N 3.12Å; P357-P385 WeakPolarHBondContact CD-O 3.34Å; P357-P385 HydrophobicContact CG-CB 4.36Å; P357-L397 HydrophobicContact CB-CD2 3.88Å; P357-L397 HydrophobicContact CG-CB 4.24Å; P357-L397 HydrophobicContact CG-CD2 4.41Å; P357-L397 WeakPolarHBondContact CG-O 3.17Å; P357-L401 HydrophobicContact CG-CD2 3.79Å; P357-Y459 HydrophobicContact CB-CD2 4.39Å; P357-Y459 HydrophobicContact CB-CE2 4.23Å
358V86.1Confident86.9Confident12 Ų1231 Ų317%0.07317%0.168CC..EExtended strand (participates in β ladder)trans-84.698.5169.8-173.60000108.5L360 V369 L384 L436 T457 V458 Y459 F502V358-L360 HydrophobicContact CG1-CD1 4.49Å; V358-L360 HydrophobicContact CG1-CD2 4.13Å; V358-L360 HydrophobicContact CG1-CG 4.11Å; V358-V369 HydrophobicContact CG1-CG2 4.32Å; V358-L384 HydrophobicContact CG2-CD1 3.84Å; V358-L436 HydrophobicContact CG2-CD1 3.81Å; V358-T457 WeakPolarHBondContact CB-O 3.48Å; V358-T457 WeakPolarHBondContact CG2-O 3.46Å; V358-T457 PolarHBondContact N-O 2.83Å; V358-V458 HydrophobicContact CB-CB 4.35Å; V358-V458 HydrophobicContact CB-CG2 4.3Å; V358-V458 HydrophobicContact CG1-CG2 4.38Å; V358-V458 WeakPolarHBondContact O-CA 3.26Å; V358-Y459 PolarHBondContact O-N 3.21Å; V358-F502 HydrophobicContact CG2-CE1 3.54Å; V358-F502 HydrophobicContact CG2-CZ 3.51Å
359L88.4Confident86.7Confident4 Ų429 Ų292%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-90.5121.6175.7-58.7-171.5000110.3P357 V369 L370 L397 L401 F405 Y459 F467 W483P357-L359 HydrophobicContact CB-CD2 4.46Å; P357-L359 PolarHBondContact O-N 3.12Å; L359-V369 WeakPolarHBondContact O-CA 3.09Å; L359-L370 HydrophobicContact CB-CB 3.94Å; L359-L370 HydrophobicContact CD1-CD2 3.83Å; L359-L370 PolarHBondContact O-N 2.97Å; L359-L397 HydrophobicContact CD1-CD1 4.43Å; L359-L397 HydrophobicContact CD1-CD2 4.45Å; L359-L397 HydrophobicContact CD2-CD2 3.86Å; L359-L401 HydrophobicContact CD1-CD2 3.97Å; L359-F405 HydrophobicContact CD1-CE2 3.69Å; L359-F405 HydrophobicContact CD1-CZ 4.18Å; L359-Y459 HydrophobicContact CD2-CD2 3.65Å; L359-Y459 HydrophobicContact CD2-CG 3.97Å; L359-F467 HydrophobicContact CD1-CB 4.3Å; L359-F467 HydrophobicContact CD1-CD2 4.4Å; L359-F467 HydrophobicContact CD1-CG 4.35Å; L359-F467 HydrophobicContact CD2-CD2 4.35Å; L359-W483 HydrophobicContact CB-CH2 4.17Å; L359-W483 HydrophobicContact CB-CZ3 4.36Å
360L84.3Confident86.8Confident21 Ų2125.9 Ų25.911%0.1114%0.141CC..EExtended strand (participates in β ladder)trans-118.5143.9179.3-60.6174.4000110.6V358 E368 V369 V458 Y459 M460 D461 L486V358-L360 HydrophobicContact CG1-CD1 4.49Å; V358-L360 HydrophobicContact CG1-CD2 4.13Å; V358-L360 HydrophobicContact CG1-CG 4.11Å; L360-E368 CarbonylContact C-O 3.44Å; L360-E368 WeakPolarHBondContact CA-O 3.46Å; L360-V369 HydrophobicContact CD2-CB 3.66Å; L360-V369 HydrophobicContact CD2-CG2 3.88Å; L360-V458 HydrophobicContact CD1-CG2 3.89Å; L360-Y459 PolarHBondContact N-O 3.05Å; L360-M460 HydrophobicContact CB-CE 3.92Å; L360-M460 HydrophobicContact CB-SD 3.73Å; L360-M460 HydrophobicContact CD1-CE 3.78Å; L360-D461 PolarHBondContact O-N 3.4Å; L360-L486 HydrophobicContact CD2-CD2 4.46Å
361R83.4Confident86.7Confident12 Ų1225.7 Ų25.75%0.04514%0.139CC..EExtended strand (participates in β ladder)trans-137.8154.8171.773.2176.5-173.4-179.4-3.3112.9Y367 E368 R464 G468 F470 W483R361-Y367 WeakPolarHBondContact O-CA 3.11Å; R361-E368 HydrophobicContact CG-CB 4.01Å; R361-E368 IonicContact CZ-OE2 3.86Å; R361-E368 PolarHBondContact N-O 3.35Å; R361-E368 IonicContact NE-OE2 2.63Å; R361-E368 PolarHBondContact NE-OE2 3.08Å; R361-E368 IonicContact NH2-OE2 3.69Å; R361-E368 PolarHBondContact NH2-OE2 3.44Å; R361-E368 PolarHBondContact O-N 2.78Å; R361-R464 HydrophobicContact CB-CG 4.45Å; R361-G468 WeakPolarHBondContact CD-O 3.39Å; R361-G468 PolarHBondContact NH1-O 2.83Å; R361-F470 PolarHBondContact NH1-O 2.85Å; R361-F470 VanDerWaalsContact NH1-O 3.08Å; R361-W483 HydrophobicContact CB-CH2 4.24Å; R361-W483 HydrophobicContact CB-CZ3 4.07Å; R361-W483 HydrophobicContact CG-CD2 4.13Å; R361-W483 HydrophobicContact CG-CE3 3.73Å; R361-W483 HydrophobicContact CG-CH2 4.2Å; R361-W483 HydrophobicContact CG-CZ3 3.76Å; R361-W483 VanDerWaalsContact NH1-CD1 3.34Å; R361-W483 VanDerWaalsContact NH1-NE1 3.19Å; R361-W483 VanDerWaalsContact NH2-CG 3.33Å
362D80Confident86.6Confident24 Ų2424.2 Ų24.213%0.12813%0.129CC..EExtended strand (participates in β ladder)trans-90.1115.3164.8-165.1-41.6000109.2H364 G365 Y367 K462 R464D362-H364 PolarHBondContact OD1-N 2.93Å; D362-G365 WeakPolarHBondContact OD1-CA 2.95Å; D362-G365 PolarHBondContact OD1-N 3.21Å; D362-Y367 HydrophobicContact CB-CD1 4.16Å; D362-Y367 HydrophobicContact CB-CE1 3.47Å; D362-Y367 VanDerWaalsContact CB-CE1 3.47Å; D362-Y367 WeakPolarHBondContact OD2-CE1 3.07Å; D362-Y367 VanDerWaalsContact OD2-CZ 3.26Å; D362-Y367 PolarHBondContact OD2-OH 3.11Å; D362-K462 HydrophobicContact CB-CG 4.07Å; D362-K462 WeakPolarHBondContact CB-O 3.25Å; D362-R464 WeakPolarHBondContact O-CD 3.48Å; D362-R464 WeakPolarHBondContact O-CG 3.34Å
363N84.9Confident86.4Confident37 Ų3724.9 Ų24.920%0.19813%0.132CC..EExtended strand (participates in β ladder)trans-110.485.3173.1-169.723000109.8G365 I366 E368 R464N363-G365 VanDerWaalsContact C-N 3.31Å; N363-G365 PolarHBondContact O-N 3.29Å; N363-I366 WeakPolarHBondContact CA-O 3.26Å; N363-I366 PolarHBondContact N-O 2.9Å; N363-I366 WeakPolarHBondContact O-CB 3.2Å; N363-I366 PolarHBondContact O-N 3.24Å; N363-E368 HydrophobicContact CB-CG 4.29Å; N363-E368 PolarHBondContact ND2-OE1 2.89Å; N363-E368 PolarHBondContact ND2-OE2 3.05Å; N363-R464 PolarHBondContact OD1-NH1 2.77Å
364H85.1Confident86.1Confident157 Ų15725.7 Ų25.773%0.72714%0.141SC*.THydrogen-bonded Turntrans54.443.3178.7-59.5-77.3000113.5D362 I366 R464D362-H364 PolarHBondContact OD1-N 2.93Å; H364-I366 VanDerWaalsContact C-N 3.34Å; H364-R464 PolarHBondContact CD2-NH1 3.33Å; H364-R464 VanDerWaalsContact CD2-NH1 3.31Å; H364-R464 PolarHBondContact CE1-NH2 2.76Å; H364-R464 VanDerWaalsContact CE1-NH2 3.28Å; H364-R464 PolarHBondContact NE2-NH1 3.21Å; H364-R464 PolarHBondContact NE2-NH2 3.49Å
365G78Confident85.6Confident41 Ų4126.4 Ų26.442%0.42315%0.146SC..THydrogen-bonded Turntrans88.2-4-178.200000114.3D362 N363D362-G365 WeakPolarHBondContact OD1-CA 2.95Å; D362-G365 PolarHBondContact OD1-N 3.21Å; N363-G365 VanDerWaalsContact C-N 3.31Å; N363-G365 PolarHBondContact O-N 3.29Å
366I79.8Confident85.1Confident87 Ų8728.1 Ų28.145%0.44615%0.154SC..EExtended strand (participates in β ladder)trans-98.7120.1172.2-56.4177.2000108.5N363 H364 E368N363-I366 WeakPolarHBondContact CA-O 3.26Å; N363-I366 PolarHBondContact N-O 2.9Å; N363-I366 WeakPolarHBondContact O-CB 3.2Å; N363-I366 PolarHBondContact O-N 3.24Å; H364-I366 VanDerWaalsContact C-N 3.34Å; I366-E368 HydrophobicContact CG2-CG 4.21Å
367Y79.1Confident84.7Confident16 Ų1632.7 Ų32.76%0.06318%0.178CC..EExtended strand (participates in β ladder)trans-82127.2174.6-63.4-56.4000111.2R361 D362 L486 L564 H567R361-Y367 WeakPolarHBondContact O-CA 3.11Å; D362-Y367 HydrophobicContact CB-CD1 4.16Å; D362-Y367 HydrophobicContact CB-CE1 3.47Å; D362-Y367 VanDerWaalsContact CB-CE1 3.47Å; D362-Y367 WeakPolarHBondContact OD2-CE1 3.07Å; D362-Y367 VanDerWaalsContact OD2-CZ 3.26Å; D362-Y367 PolarHBondContact OD2-OH 3.11Å; Y367-L486 WeakPolarHBondContact O-CB 3.1Å; Y367-L486 PolarHBondContact O-N 3.19Å; Y367-L564 HydrophobicContact CD1-CB 4.45Å; Y367-L564 HydrophobicContact CD1-CD1 3.2Å; Y367-L564 HydrophobicContact CD1-CD2 3.47Å; Y367-L564 VanDerWaalsContact CD1-CD2 3.47Å; Y367-L564 HydrophobicContact CD1-CG 3.14Å; Y367-L564 HydrophobicContact CD2-CD2 4.03Å; Y367-L564 HydrophobicContact CD2-CG 3.84Å; Y367-L564 HydrophobicContact CE1-CB 4.02Å; Y367-L564 HydrophobicContact CE1-CD1 2.89Å; Y367-L564 HydrophobicContact CE1-CD2 3.93Å; Y367-L564 HydrophobicContact CE1-CG 3.04Å; Y367-L564 VanDerWaalsContact CE2-CA 3.45Å; Y367-L564 HydrophobicContact CE2-CB 4.17Å; Y367-L564 HydrophobicContact CE2-CD1 4.42Å; Y367-L564 HydrophobicContact CE2-CD2 4.36Å; Y367-L564 HydrophobicContact CE2-CG 3.68Å; Y367-L564 HydrophobicContact CG-CD1 4.14Å; Y367-L564 HydrophobicContact CG-CD2 3.55Å; Y367-L564 HydrophobicContact CG-CG 3.58Å; Y367-L564 VanDerWaalsContact CZ-CA 3.4Å; Y367-L564 VanDerWaalsContact OH-CA 3.31Å; Y367-L564 WeakPolarHBondContact OH-CA 3.4Å; Y367-L564 PolarHBondContact OH-N 2.98Å; Y367-H567 HydrophobicContact CD2-CB 4.18Å; Y367-H567 HydrophobicContact CE2-CB 3.75Å
368E85.5Confident84.2Confident24 Ų2441.5 Ų41.511%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-122.3145.2-177.9-64.9174169.400109.9L360 R361 N363 I366 W483 R484L360-E368 CarbonylContact C-O 3.44Å; L360-E368 WeakPolarHBondContact CA-O 3.46Å; R361-E368 HydrophobicContact CG-CB 4.01Å; R361-E368 IonicContact CZ-OE2 3.86Å; R361-E368 PolarHBondContact N-O 3.35Å; R361-E368 IonicContact NE-OE2 2.63Å; R361-E368 PolarHBondContact NE-OE2 3.08Å; R361-E368 IonicContact NH2-OE2 3.69Å; R361-E368 PolarHBondContact NH2-OE2 3.44Å; R361-E368 PolarHBondContact O-N 2.78Å; N363-E368 HydrophobicContact CB-CG 4.29Å; N363-E368 PolarHBondContact ND2-OE1 2.89Å; N363-E368 PolarHBondContact ND2-OE2 3.05Å; I366-E368 HydrophobicContact CG2-CG 4.21Å; E368-W483 HydrophobicContact CB-CB 4.21Å; E368-W483 HydrophobicContact CB-CE3 4.23Å; E368-R484 CarbonylContact C-O 3.43Å; E368-R484 WeakPolarHBondContact CA-O 3.44Å
369V85.5Confident83.6Confident1 Ų147.1 Ų47.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-117144174.856.50000109.2V358 L359 L360 V371 L384 R484 L486 V489V358-V369 HydrophobicContact CG1-CG2 4.32Å; L359-V369 WeakPolarHBondContact O-CA 3.09Å; L360-V369 HydrophobicContact CD2-CB 3.66Å; L360-V369 HydrophobicContact CD2-CG2 3.88Å; V369-V371 HydrophobicContact CG1-CG1 3.95Å; V369-V371 HydrophobicContact CG2-CG1 4.35Å; V369-L384 HydrophobicContact CG2-CD2 4.01Å; V369-R484 PolarHBondContact N-O 3.45Å; V369-R484 PolarHBondContact O-N 3.27Å; V369-L486 HydrophobicContact CB-CD1 4.36Å; V369-L486 HydrophobicContact CG1-CD1 4.08Å; V369-V489 HydrophobicContact CG1-CB 4.37Å; V369-V489 HydrophobicContact CG1-CG1 4.35Å; V369-V489 HydrophobicContact CG1-CG2 3.76Å
370L91.2Very high82.9Confident0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-78.7124.1173.3-169.173.9000110.1L359 P385 L401 F405 L472 W483L359-L370 HydrophobicContact CB-CB 3.94Å; L359-L370 HydrophobicContact CD1-CD2 3.83Å; L359-L370 PolarHBondContact O-N 2.97Å; L370-P385 HydrophobicContact CD2-CG 4.01Å; L370-P385 HydrophobicContact CG-CG 4.31Å; L370-P385 WeakPolarHBondContact O-CD 3.44Å; L370-L401 HydrophobicContact CD2-CD1 3.96Å; L370-L401 HydrophobicContact CD2-CD2 4.07Å; L370-F405 HydrophobicContact CD2-CE2 4.06Å; L370-F405 HydrophobicContact CD2-CZ 3.97Å; L370-L472 HydrophobicContact CD1-CD1 3.33Å; L370-W483 HydrophobicContact CB-CE3 4.22Å; L370-W483 HydrophobicContact CB-CH2 4.44Å; L370-W483 HydrophobicContact CB-CZ3 4.06Å; L370-W483 HydrophobicContact CD1-CD2 4.25Å
371V90.3Very high82.4Confident0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-135.7161.1-179-60.80000111.1V369 V373 F376 V382 Q383 Y481 G482 R484V369-V371 HydrophobicContact CG1-CG1 3.95Å; V369-V371 HydrophobicContact CG2-CG1 4.35Å; V371-V373 PolarHBondContact O-N 3.43Å; V371-F376 HydrophobicContact CG2-CB 4Å; V371-F376 HydrophobicContact CG2-CD2 4.26Å; V371-F376 HydrophobicContact CG2-CG 4.13Å; V371-V382 HydrophobicContact CG1-CG1 4.05Å; V371-Q383 WeakPolarHBondContact CA-O 3.36Å; V371-Y481 VanDerWaalsContact O-CA 3.27Å; V371-Y481 WeakPolarHBondContact O-CA 3.36Å; V371-G482 PolarHBondContact N-O 2.79Å; V371-G482 PolarHBondContact O-N 3.18Å; V371-R484 HydrophobicContact CG2-CB 3.85Å; V371-R484 HydrophobicContact CG2-CG 3.4Å
372E88.8Confident82.1Confident17 Ų1751.1 Ų51.18%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-71.2121.4170.4-161.4-86.8144.900109.6T374 S375 F376 Q383 R480 Y481E372-T374 PolarHBondContact O-N 2.61Å; E372-T374 WeakPolarHBondContact OE1-CB 3.21Å; E372-T374 PolarHBondContact OE1-N 3.45Å; E372-T374 PolarHBondContact OE1-OG1 3.38Å; E372-S375 PolarHBondContact O-N 3.41Å; E372-S375 WeakPolarHBondContact OE2-CA 3.1Å; E372-S375 WeakPolarHBondContact OE2-CB 3.39Å; E372-S375 PolarHBondContact OE2-N 2.86Å; E372-S375 PolarHBondContact OE2-OG 2.69Å; E372-F376 PolarHBondContact O-N 3.35Å; E372-F376 VanDerWaalsContact O-N 3.15Å; E372-Q383 HydrophobicContact CB-CB 4.05Å; E372-Q383 HydrophobicContact CB-CG 4.2Å; E372-Q383 PolarHBondContact N-O 2.65Å; E372-R480 WeakPolarHBondContact CA-O 2.99Å; E372-Y481 HydrophobicContact CB-CD1 4.06Å; E372-Y481 HydrophobicContact CB-CE1 3.93Å; E372-Y481 HydrophobicContact CG-CD1 4.48Å; E372-Y481 HydrophobicContact CG-CE1 4.2Å
373V88.1Confident82.3Confident17 Ų1750.7 Ų50.710%0.10326%0.257CS..Hα-helixtrans-67.4-41.4-167.21700000111.2V371 S375 F376 D377 E476 R480 G482V371-V373 PolarHBondContact O-N 3.43Å; V373-S375 PolarHBondContact O-N 3.34Å; V373-F376 PolarHBondContact O-N 2.82Å; V373-D377 WeakPolarHBondContact CG1-OD2 3.38Å; V373-D377 WeakPolarHBondContact O-CB 3.39Å; V373-D377 PolarHBondContact O-N 3.31Å; V373-E476 HydrophobicContact CG2-CB 4.09Å; V373-E476 HydrophobicContact CG2-CG 4.13Å; V373-R480 PolarHBondContact N-O 3.28Å; V373-G482 VanDerWaalsContact CG2-N 3.32Å
374T84.1Confident82.5Confident64 Ų6449 Ų4939%0.39325%0.248SC..Hα-helixtrans-62.4-47.5-179.3-36.80000111.5E372 F376 R378 Y379E372-T374 PolarHBondContact O-N 2.61Å; E372-T374 WeakPolarHBondContact OE1-CB 3.21Å; E372-T374 PolarHBondContact OE1-N 3.45Å; E372-T374 PolarHBondContact OE1-OG1 3.38Å; T374-F376 VanDerWaalsContact C-N 3.31Å; T374-F376 PolarHBondContact O-N 3.49Å; T374-R378 HydrophobicContact CG2-CB 4.44Å; T374-R378 WeakPolarHBondContact O-CA 3.3Å; T374-R378 WeakPolarHBondContact O-CB 3.32Å; T374-R378 PolarHBondContact O-N 2.82Å; T374-Y379 HydrophobicContact CG2-CE2 4.08Å; T374-Y379 WeakPolarHBondContact O-CD2 3.39Å
375S80.9Confident82.8Confident20 Ų2041.6 Ų41.614%0.1421%0.214CC..Hα-helixtrans-57.5-46.8177.6-67.70000110.7E372 V373 Y379 G380 R381E372-S375 PolarHBondContact O-N 3.41Å; E372-S375 WeakPolarHBondContact OE2-CA 3.1Å; E372-S375 WeakPolarHBondContact OE2-CB 3.39Å; E372-S375 PolarHBondContact OE2-N 2.86Å; E372-S375 PolarHBondContact OE2-OG 2.69Å; V373-S375 PolarHBondContact O-N 3.34Å; S375-Y379 CarbonylContact O-C 3.58Å; S375-Y379 WeakPolarHBondContact O-CA 3.09Å; S375-Y379 WeakPolarHBondContact O-CB 3.33Å; S375-Y379 PolarHBondContact O-N 3.5Å; S375-G380 PolarHBondContact O-N 3.5Å; S375-G380 VanDerWaalsContact O-N 3.14Å; S375-R381 CarbonylContact C-O 3.41Å; S375-R381 WeakPolarHBondContact CB-O 3.34Å; S375-R381 PolarHBondContact O-N 3.33Å
376F82.2Confident83.4Confident36 Ų3640.5 Ų40.516%0.15820%0.198CC..Hα-helixtrans-72.9-56.5-176.2-167.8-89.8000112V371 E372 V373 T374 G380 R381 V382 R484 N488 V489V371-F376 HydrophobicContact CG2-CB 4Å; V371-F376 HydrophobicContact CG2-CD2 4.26Å; V371-F376 HydrophobicContact CG2-CG 4.13Å; E372-F376 PolarHBondContact O-N 3.35Å; E372-F376 VanDerWaalsContact O-N 3.15Å; V373-F376 PolarHBondContact O-N 2.82Å; T374-F376 VanDerWaalsContact C-N 3.31Å; T374-F376 PolarHBondContact O-N 3.49Å; F376-G380 VanDerWaalsContact O-CA 3.25Å; F376-G380 WeakPolarHBondContact O-CA 3.4Å; F376-G380 PolarHBondContact O-N 3.29Å; F376-R381 WeakPolarHBondContact CA-O 3.4Å; F376-R381 PolarHBondContact N-O 2.87Å; F376-R381 VanDerWaalsContact N-O 3.09Å; F376-V382 HydrophobicContact CD2-CG2 4.21Å; F376-V382 HydrophobicContact CE2-CG2 4.19Å; F376-R484 HydrophobicContact CD1-CB 4.41Å; F376-R484 HydrophobicContact CD1-CG 3.71Å; F376-R484 HydrophobicContact CE1-CB 4.16Å; F376-R484 HydrophobicContact CE1-CG 3.88Å; F376-R484 HydrophobicContact CG-CG 4.07Å; F376-R484 HydrophobicContact CZ-CB 4.22Å; F376-R484 HydrophobicContact CZ-CG 4.4Å; F376-N488 HydrophobicContact CZ-CB 4.11Å; F376-V489 HydrophobicContact CD2-CG2 4.4Å; F376-V489 HydrophobicContact CE2-CG2 3.6Å; F376-V489 HydrophobicContact CZ-CG2 4.22Å
377D82.5Confident83.8Confident96 Ų9636.6 Ų36.651%0.51318%0.178SC..Hα-helixtrans-74.9-36-170.9-68.2-5.9000112.4V373 R484V373-D377 WeakPolarHBondContact CG1-OD2 3.38Å; V373-D377 WeakPolarHBondContact O-CB 3.39Å; V373-D377 PolarHBondContact O-N 3.31Å; D377-R484 IonicContact OD1-CZ 3.12Å; D377-R484 IonicContact OD1-NE 2.99Å; D377-R484 PolarHBondContact OD1-NE 2.77Å; D377-R484 IonicContact OD1-NH2 3.87Å; D377-R484 PolarHBondContact OD1-NH2 3.34Å; D377-R484 IonicContact OD2-CZ 3.22Å; D377-R484 IonicContact OD2-NE 3.45Å; D377-R484 IonicContact OD2-NH2 3.59Å; D377-R484 PolarHBondContact OD2-NH2 2.96Å
378R79.6Confident84.3Confident185 Ų18536.9 Ų36.970%0.69818%0.18SC*.Hα-helixtrans-91.9-36.8-176.6-168.4177-179.2178.61.5113.2T374T374-R378 HydrophobicContact CG2-CB 4.44Å; T374-R378 WeakPolarHBondContact O-CA 3.3Å; T374-R378 WeakPolarHBondContact O-CB 3.32Å; T374-R378 PolarHBondContact O-N 2.82Å
379Y74Confident84.5Confident131 Ų13136.7 Ų36.751%0.51418%0.179SC..Hα-helixtrans-113.4-5.2-171.4-55.3-73.1000113.6T374 S375 R381T374-Y379 HydrophobicContact CG2-CE2 4.08Å; T374-Y379 WeakPolarHBondContact O-CD2 3.39Å; S375-Y379 CarbonylContact O-C 3.58Å; S375-Y379 WeakPolarHBondContact O-CA 3.09Å; S375-Y379 WeakPolarHBondContact O-CB 3.33Å; S375-Y379 PolarHBondContact O-N 3.5Å; Y379-R381 PolarHBondContact O-N 3.15Å
380G73Confident84.3Confident45 Ų4538.1 Ų38.146%0.46419%0.19SC..  trans65.518.1-175.300000113.4S375 F376S375-G380 PolarHBondContact O-N 3.5Å; S375-G380 VanDerWaalsContact O-N 3.14Å; F376-G380 VanDerWaalsContact O-CA 3.25Å; F376-G380 WeakPolarHBondContact O-CA 3.4Å; F376-G380 PolarHBondContact O-N 3.29Å
381R73.8Confident84Confident73 Ų7340.2 Ų40.228%0.27520%0.202SC..  trans-99.6129.8-176.3-65.1179.4-174.3-170.3-1.2110S375 F376 Y379 Q383 L512S375-R381 CarbonylContact C-O 3.41Å; S375-R381 WeakPolarHBondContact CB-O 3.34Å; S375-R381 PolarHBondContact O-N 3.33Å; F376-R381 WeakPolarHBondContact CA-O 3.4Å; F376-R381 PolarHBondContact N-O 2.87Å; F376-R381 VanDerWaalsContact N-O 3.09Å; Y379-R381 PolarHBondContact O-N 3.15Å; R381-Q383 PolarHBondContact O-N 3.38Å; R381-L512 HydrophobicContact CG-CD1 4.29Å
382V77.6Confident83.7Confident2 Ų241 Ų411%0.01221%0.207CC..  trans-82110.9171.7-175.80000107.1V371 F376 V489 I497 L498 S501V371-V382 HydrophobicContact CG1-CG1 4.05Å; F376-V382 HydrophobicContact CD2-CG2 4.21Å; F376-V382 HydrophobicContact CE2-CG2 4.19Å; V382-V489 HydrophobicContact CB-CG1 4.34Å; V382-V489 HydrophobicContact CG1-CG1 3.71Å; V382-V489 HydrophobicContact CG2-CB 4.26Å; V382-V489 HydrophobicContact CG2-CG1 3.74Å; V382-V489 HydrophobicContact CG2-CG2 4.27Å; V382-I497 HydrophobicContact CB-CG2 3.94Å; V382-I497 HydrophobicContact CG2-CG2 3.9Å; V382-L498 HydrophobicContact CG1-CD1 4.06Å; V382-S501 WeakPolarHBondContact O-CB 3.44Å
383Q84.7Confident83.3Confident16 Ų1648 Ų488%0.07524%0.24CC..  trans-118.4111.3175.3-174.857.667.200108.3V371 E372 R381 N508V371-Q383 WeakPolarHBondContact CA-O 3.36Å; E372-Q383 HydrophobicContact CB-CB 4.05Å; E372-Q383 HydrophobicContact CB-CG 4.2Å; E372-Q383 PolarHBondContact N-O 2.65Å; R381-Q383 PolarHBondContact O-N 3.38Å; Q383-N508 PolarHBondContact OE1-ND2 3.09Å
384L88.5Confident82.9Confident1 Ų150.9 Ų50.91%0.00526%0.257CS..  trans-71.5150.5174.2-68.7171.4000109.9I356 V358 V369 Q386 S501 F502I356-L384 HydrophobicContact CG2-CB 3.84Å; I356-L384 HydrophobicContact CG2-CD1 3.9Å; V358-L384 HydrophobicContact CG2-CD1 3.84Å; V369-L384 HydrophobicContact CG2-CD2 4.01Å; L384-Q386 PolarHBondContact O-N 2.86Å; L384-S501 WeakPolarHBondContact CD1-OG 3.48Å; L384-S501 VanDerWaalsContact CG-OG 3.3Å; L384-S501 WeakPolarHBondContact CG-OG 3.49Å; L384-F502 HydrophobicContact CD1-CD1 4.3Å; L384-F502 HydrophobicContact CD1-CD2 4.26Å; L384-F502 HydrophobicContact CD1-CE1 4.01Å; L384-F502 HydrophobicContact CD1-CE2 3.96Å; L384-F502 HydrophobicContact CD1-CG 4.42Å; L384-F502 HydrophobicContact CD1-CZ 3.83Å
385P90.9Very high83Confident2 Ų249 Ų491%0.01325%0.245CC..  trans-53.9133.6167.4-1929.4000109.5P357 L370 L401 Y481P357-P385 WeakPolarHBondContact CD-O 3.34Å; P357-P385 HydrophobicContact CG-CB 4.36Å; L370-P385 HydrophobicContact CD2-CG 4.01Å; L370-P385 HydrophobicContact CG-CG 4.31Å; L370-P385 WeakPolarHBondContact O-CD 3.44Å; P385-L401 HydrophobicContact CB-CD2 3.75Å; P385-L401 HydrophobicContact CG-CD2 3.97Å; P385-Y481 HydrophobicContact CB-CD1 4.23Å; P385-Y481 HydrophobicContact CB-CE1 3.7Å; P385-Y481 HydrophobicContact CB-CE2 4.44Å; P385-Y481 HydrophobicContact CG-CD1 3.8Å; P385-Y481 HydrophobicContact CG-CE1 3.75Å; P385-Y481 HydrophobicContact CG-CG 4.4Å
386Q90.8Very high83.3Confident18 Ų1848.4 Ų48.48%0.08424%0.24CC..  trans-152.213917456.4177.7-46.800111L354 V355 I356 L384 L503 V505L354-Q386 HydrophobicContact CD1-CB 4.21Å; L354-Q386 VanDerWaalsContact CD2-OE1 3.26Å; V355-Q386 VanDerWaalsContact O-CA 3.27Å; V355-Q386 WeakPolarHBondContact O-CA 3.41Å; I356-Q386 HydrophobicContact CG1-CB 3.87Å; L384-Q386 PolarHBondContact O-N 2.86Å; Q386-L503 PolarHBondContact NE2-O 3.27Å; Q386-V505 VanDerWaalsContact CD-CG2 3.5Å; Q386-V505 HydrophobicContact CG-CG2 3.86Å
387S89.2Confident83.6Confident5 Ų546.7 Ų46.74%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-153.3151.7175.957.60000111V355 G398 A399V355-S387 PolarHBondContact N-O 2.98Å; V355-S387 PolarHBondContact O-N 3.2Å; S387-G398 WeakPolarHBondContact OG-CA 3.06Å; S387-A399 PolarHBondContact OG-N 3.15Å; S387-A399 VanDerWaalsContact OG-N 3.13Å
388F89.2Confident83.9Confident22 Ų2242.1 Ų42.110%0.09621%0.208CC..EExtended strand (participates in β ladder)trans-70.9138172.8-73.3-70.7000110.4Y304 L346 P347 N352 Q353 L354 V452Y304-F388 HydrophobicContact CE2-CD2 4.12Å; Y304-F388 HydrophobicContact CE2-CE2 4.37Å; Y304-F388 AromaticContact CZ-CD2 3.9Å; L346-F388 HydrophobicContact CD2-CE1 4.24Å; L346-F388 HydrophobicContact CD2-CE2 4.28Å; L346-F388 HydrophobicContact CD2-CZ 3.68Å; P347-F388 HydrophobicContact CG-CB 3.92Å; P347-F388 HydrophobicContact CG-CD2 4.04Å; P347-F388 HydrophobicContact CG-CG 3.94Å; N352-F388 HydrophobicContact CB-CD1 3.94Å; N352-F388 HydrophobicContact CB-CE1 3.84Å; Q353-F388 CarbonylContact O-C 3.56Å; Q353-F388 VanDerWaalsContact O-CA 3.32Å; Q353-F388 WeakPolarHBondContact O-CA 3.3Å; L354-F388 HydrophobicContact CB-CD1 4.19Å; L354-F388 HydrophobicContact CB-CE1 4.05Å; L354-F388 HydrophobicContact CD1-CD1 4.26Å; L354-F388 HydrophobicContact CD1-CE1 4.28Å; L354-F388 HydrophobicContact CD1-CG 4.39Å; L354-F388 HydrophobicContact CD1-CZ 4.43Å; F388-V452 HydrophobicContact CE1-CG1 4.08Å; F388-V452 HydrophobicContact CE1-CG2 3.87Å; F388-V452 HydrophobicContact CZ-CG2 3.91Å
389E89.1Confident84Confident20 Ų2033.5 Ų33.59%0.09318%0.176CC..EExtended strand (participates in β ladder)trans-138.1138.8179.7-179.250.9-104.600110.1Q353 V355 D391 P392 N395 A399Q353-E389 PolarHBondContact O-N 3.14Å; V355-E389 HydrophobicContact CG2-CB 3.71Å; V355-E389 HydrophobicContact CG2-CG 4.41Å; E389-D391 PolarHBondContact OE1-N 3.04Å; E389-P392 HydrophobicContact CG-CB 4.32Å; E389-N395 HydrophobicContact CG-CB 3.93Å; E389-N395 VanDerWaalsContact OE2-CB 3.27Å; E389-N395 WeakPolarHBondContact OE2-CB 3.5Å; E389-N395 VanDerWaalsContact OE2-CG 3.27Å; E389-N395 PolarHBondContact OE2-ND2 3.18Å; E389-A399 WeakPolarHBondContact OE2-CB 3.33Å; E389-A399 PolarHBondContact OE2-N 2.98Å
390A82.5Confident84.5Confident30 Ų3029 Ų2925%0.24816%0.16CC..SBendtrans-92.8-19.9178.200000112.6I317 N321I317-A390 HydrophobicContact CG2-CB 4.15Å; N321-A390 WeakPolarHBondContact ND2-CB 3.43Å; N321-A390 WeakPolarHBondContact OD1-CB 3.27Å
391D83.6Confident85.3Confident45 Ų4527.1 Ų27.124%0.24114%0.139CC..  trans-13774.8177-174.8-0.5000110.6E389 E393 T394 N395E389-D391 PolarHBondContact OE1-N 3.04Å; D391-E393 PolarHBondContact O-N 3.45Å; D391-T394 VanDerWaalsContact CG-CB 3.46Å; D391-T394 VanDerWaalsContact CG-OG1 3.24Å; D391-T394 PolarHBondContact O-N 3.44Å; D391-T394 PolarHBondContact OD1-N 3.03Å; D391-T394 VanDerWaalsContact OD1-N 3.15Å; D391-T394 PolarHBondContact OD1-OG1 3.23Å; D391-T394 WeakPolarHBondContact OD2-CB 3Å; D391-T394 PolarHBondContact OD2-OG1 3.47Å; D391-N395 PolarHBondContact O-N 3.02Å
392P84.5Confident86Confident15 Ų1524 Ų2410%0.09713%0.129CC..THydrogen-bonded Turntrans-67.1-18.8-177.228.9-38.2000113.3V355 E389 N395 I396 L455V355-P392 HydrophobicContact CG2-CB 3.76Å; E389-P392 HydrophobicContact CG-CB 4.32Å; P392-N395 CarbonylContact O-C 3.33Å; P392-I396 WeakPolarHBondContact O-CA 3.45Å; P392-I396 PolarHBondContact O-N 2.87Å; P392-L455 HydrophobicContact CB-CD2 3.6Å; P392-L455 HydrophobicContact CG-CD2 4.1Å
393E79.7Confident86.3Confident166 Ų16626.3 Ų26.378%0.77614%0.139SC*.THydrogen-bonded Turntrans-70.2-41.5175.3-60.7-171.5167.900111.1D391D391-E393 PolarHBondContact O-N 3.45Å
394T81.4Confident86.2Confident77 Ų7726.4 Ų26.447%0.47214%0.142SC..THydrogen-bonded Turntrans-76.4-36.6174-630000111.5D391 K426D391-T394 VanDerWaalsContact CG-CB 3.46Å; D391-T394 VanDerWaalsContact CG-OG1 3.24Å; D391-T394 PolarHBondContact O-N 3.44Å; D391-T394 PolarHBondContact OD1-N 3.03Å; D391-T394 VanDerWaalsContact OD1-N 3.15Å; D391-T394 PolarHBondContact OD1-OG1 3.23Å; D391-T394 WeakPolarHBondContact OD2-CB 3Å; D391-T394 PolarHBondContact OD2-OG1 3.47Å; T394-K426 WeakPolarHBondContact O-CE 3.3Å; T394-K426 PolarHBondContact O-NZ 3.04Å
395N85.1Confident86.3Confident25 Ų2526.4 Ų26.413%0.13414%0.143CC..  trans-117.572.9-172.9-162.4-2.1000113E389 D391 P392 L397 G398 A399 T402E389-N395 HydrophobicContact CG-CB 3.93Å; E389-N395 VanDerWaalsContact OE2-CB 3.27Å; E389-N395 WeakPolarHBondContact OE2-CB 3.5Å; E389-N395 VanDerWaalsContact OE2-CG 3.27Å; E389-N395 PolarHBondContact OE2-ND2 3.18Å; D391-N395 PolarHBondContact O-N 3.02Å; P392-N395 CarbonylContact O-C 3.33Å; N395-L397 PolarHBondContact O-N 3.1Å; N395-L397 VanDerWaalsContact O-N 3.1Å; N395-G398 PolarHBondContact O-N 3.48Å; N395-G398 PolarHBondContact OD1-O 3.16Å; N395-G398 VanDerWaalsContact OD1-O 3.14Å; N395-A399 WeakPolarHBondContact ND2-CA 3.36Å; N395-A399 PolarHBondContact ND2-N 3.46Å; N395-T402 WeakPolarHBondContact OD1-CB 3.26Å; N395-T402 WeakPolarHBondContact OD1-CG2 3.45Å; N395-T402 PolarHBondContact OD1-OG1 2.88Å
396I86.8Confident86.1Confident7 Ų730 Ų304%0.03616%0.159CC..THydrogen-bonded Turntrans-63.1-18.2-168.766.1171.9000115.9P392 A425 K426 A429 Y459P392-I396 WeakPolarHBondContact O-CA 3.45Å; P392-I396 PolarHBondContact O-N 2.87Å; I396-A425 VanDerWaalsContact CD1-C 3.45Å; I396-A425 HydrophobicContact CD1-CB 3.35Å; I396-K426 HydrophobicContact CD1-CG 4.27Å; I396-K426 HydrophobicContact CG2-CG 4.29Å; I396-A429 HydrophobicContact CB-CB 4.43Å; I396-A429 HydrophobicContact CG2-CB 3.68Å; I396-Y459 WeakPolarHBondContact CB-OH 3.44Å; I396-Y459 HydrophobicContact CD1-CE1 4.37Å; I396-Y459 PolarHBondContact O-OH 2.78Å
397L89.7Confident85.8Confident0 Ų034.3 Ų34.30%018%0.179CC..THydrogen-bonded Turntrans-103.71.9176.7-54.5-173.5000112.6P357 L359 N395 L401 T402 F405 F422 Y459 F467P357-L397 HydrophobicContact CB-CD2 3.88Å; P357-L397 HydrophobicContact CG-CB 4.24Å; P357-L397 HydrophobicContact CG-CD2 4.41Å; P357-L397 WeakPolarHBondContact CG-O 3.17Å; L359-L397 HydrophobicContact CD1-CD1 4.43Å; L359-L397 HydrophobicContact CD1-CD2 4.45Å; L359-L397 HydrophobicContact CD2-CD2 3.86Å; N395-L397 PolarHBondContact O-N 3.1Å; N395-L397 VanDerWaalsContact O-N 3.1Å; L397-L401 HydrophobicContact CB-CB 4.19Å; L397-L401 HydrophobicContact CB-CD2 4.14Å; L397-L401 HydrophobicContact CB-CG 4.27Å; L397-L401 HydrophobicContact CD1-CD2 4.25Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L397-T402 WeakPolarHBondContact CB-OG1 3.37Å; L397-F405 HydrophobicContact CD1-CD2 3.82Å; L397-F405 HydrophobicContact CD1-CE2 4.25Å; L397-F422 HydrophobicContact CD1-CE1 4.25Å; L397-Y459 HydrophobicContact CD2-CD2 4.23Å; L397-Y459 HydrophobicContact CD2-CE2 4.05Å; L397-F467 HydrophobicContact CD1-CD1 4.24Å; L397-F467 HydrophobicContact CD1-CE1 3.69Å; L397-F467 HydrophobicContact CD1-CE2 3.97Å; L397-F467 HydrophobicContact CD1-CZ 3.55Å; L397-F467 HydrophobicContact CD2-CE2 4.22Å; L397-F467 HydrophobicContact CD2-CZ 4.48Å; L397-F467 HydrophobicContact CG-CE2 4.48Å; L397-F467 HydrophobicContact CG-CZ 4.25Å
398G88.4Confident85.7Confident0 Ų034.1 Ų34.10%018%0.178CC..  trans74.2165-16500000112.9S387 N395 T402S387-G398 WeakPolarHBondContact OG-CA 3.06Å; N395-G398 PolarHBondContact O-N 3.48Å; N395-G398 PolarHBondContact OD1-O 3.16Å; N395-G398 VanDerWaalsContact OD1-O 3.14Å; G398-T402 VanDerWaalsContact O-CB 3.29Å; G398-T402 WeakPolarHBondContact O-CB 3.33Å; G398-T402 PolarHBondContact O-N 2.78Å; G398-T402 VanDerWaalsContact O-N 3.12Å; G398-T402 PolarHBondContact O-OG1 3.18Å
399A82.7Confident85.8Confident4 Ų433 Ų333%0.03317%0.173CC..Hα-helixtrans-63.3-46.2-167.800000114.2F310 I317 S387 E389 N395 Q403F310-A399 HydrophobicContact CE1-CB 3.77Å; F310-A399 HydrophobicContact CE2-CB 3.71Å; F310-A399 WeakPolarHBondContact CE2-O 3.27Å; F310-A399 HydrophobicContact CZ-CB 3.15Å; I317-A399 HydrophobicContact CD1-CB 4.44Å; S387-A399 PolarHBondContact OG-N 3.15Å; S387-A399 VanDerWaalsContact OG-N 3.13Å; E389-A399 WeakPolarHBondContact OE2-CB 3.33Å; E389-A399 PolarHBondContact OE2-N 2.98Å; N395-A399 WeakPolarHBondContact ND2-CA 3.36Å; N395-A399 PolarHBondContact ND2-N 3.46Å; A399-Q403 WeakPolarHBondContact O-CB 3.06Å; A399-Q403 PolarHBondContact O-N 2.94Å; A399-Q403 VanDerWaalsContact O-N 3.16Å
400E83.8Confident85.7Confident37 Ų3734.8 Ų34.817%0.17319%0.185CC..Hα-helixtrans-68.1-49.6-176.2-64.2-173.1-17300111.6F310 Q403 A404F310-E400 HydrophobicContact CB-CG 4.48Å; F310-E400 HydrophobicContact CD2-CG 4.06Å; F310-E400 HydrophobicContact CG-CG 4.11Å; E400-Q403 PolarHBondContact O-N 3.46Å; E400-A404 WeakPolarHBondContact O-CB 3.43Å; E400-A404 PolarHBondContact O-N 3.32Å
401L88.7Confident85.9Confident4 Ų438.2 Ų38.22%0.02120%0.203CC..Hα-helixtrans-71-38.9-175.6-173.161000112.2P357 L359 L370 P385 L397 A404 F405 Y481P357-L401 HydrophobicContact CG-CD2 3.79Å; L359-L401 HydrophobicContact CD1-CD2 3.97Å; L370-L401 HydrophobicContact CD2-CD1 3.96Å; L370-L401 HydrophobicContact CD2-CD2 4.07Å; P385-L401 HydrophobicContact CB-CD2 3.75Å; P385-L401 HydrophobicContact CG-CD2 3.97Å; L397-L401 HydrophobicContact CB-CB 4.19Å; L397-L401 HydrophobicContact CB-CD2 4.14Å; L397-L401 HydrophobicContact CB-CG 4.27Å; L397-L401 HydrophobicContact CD1-CD2 4.25Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L401-A404 PolarHBondContact O-N 2.6Å; L401-F405 HydrophobicContact CD1-CD2 3.81Å; L401-F405 HydrophobicContact CD1-CE2 3.54Å; L401-F405 HydrophobicContact CD1-CZ 4.4Å; L401-F405 HydrophobicContact CD2-CE2 4.06Å; L401-F405 HydrophobicContact CG-CD2 3.79Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 WeakPolarHBondContact O-CD2 2.8Å; L401-F405 PolarHBondContact O-N 3.13Å; L401-Y481 HydrophobicContact CD1-CD2 3.75Å; L401-Y481 HydrophobicContact CD1-CE2 4.07Å; L401-Y481 HydrophobicContact CD1-CG 4.42Å
402T88.3Confident86.1Confident9 Ų939 Ų396%0.05521%0.209CC..Hα-helixtrans-60.4-47174-73.30000111.2N395 L397 G398 A404 F405 E406 F422N395-T402 WeakPolarHBondContact OD1-CB 3.26Å; N395-T402 WeakPolarHBondContact OD1-CG2 3.45Å; N395-T402 PolarHBondContact OD1-OG1 2.88Å; L397-T402 WeakPolarHBondContact CB-OG1 3.37Å; G398-T402 VanDerWaalsContact O-CB 3.29Å; G398-T402 WeakPolarHBondContact O-CB 3.33Å; G398-T402 PolarHBondContact O-N 2.78Å; G398-T402 VanDerWaalsContact O-N 3.12Å; G398-T402 PolarHBondContact O-OG1 3.18Å; T402-A404 VanDerWaalsContact C-N 3.3Å; T402-A404 PolarHBondContact O-N 3.26Å; T402-F405 PolarHBondContact O-N 2.95Å; T402-E406 HydrophobicContact CG2-CG 4.14Å; T402-E406 WeakPolarHBondContact O-CB 3.06Å; T402-E406 VanDerWaalsContact O-CG 3.3Å; T402-E406 WeakPolarHBondContact O-CG 3.37Å; T402-E406 PolarHBondContact O-N 2.75Å; T402-F422 HydrophobicContact CG2-CE1 3.73Å; T402-F422 HydrophobicContact CG2-CZ 4.01Å
403Q83.8Confident86.3Confident49 Ų4941.1 Ų41.123%0.22922%0.222CC..Hα-helixtrans-60.4-42.6177.6179174.10.500111.7F310 A399 E400 E406 Q407F310-Q403 HydrophobicContact CE2-CB 4.45Å; A399-Q403 WeakPolarHBondContact O-CB 3.06Å; A399-Q403 PolarHBondContact O-N 2.94Å; A399-Q403 VanDerWaalsContact O-N 3.16Å; E400-Q403 PolarHBondContact O-N 3.46Å; Q403-E406 PolarHBondContact O-N 3.37Å; Q403-Q407 WeakPolarHBondContact O-CB 3.4Å; Q403-Q407 PolarHBondContact O-N 2.85Å
404A84.6Confident86.7Confident18 Ų1835.5 Ų35.515%0.14920%0.201CC..Hα-helixtrans-61-47.1179.900000111.6E400 L401 T402 L408 L479E400-A404 WeakPolarHBondContact O-CB 3.43Å; E400-A404 PolarHBondContact O-N 3.32Å; L401-A404 PolarHBondContact O-N 2.6Å; T402-A404 VanDerWaalsContact C-N 3.3Å; T402-A404 PolarHBondContact O-N 3.26Å; A404-L408 VanDerWaalsContact O-CB 3.3Å; A404-L408 WeakPolarHBondContact O-CB 3.19Å; A404-L408 PolarHBondContact O-N 2.81Å; A404-L479 HydrophobicContact CB-CD2 3.64Å
405F89.4Confident87.2Confident2 Ų238.6 Ų38.61%0.00921%0.208CC..Hα-helixtrans-70.1-38.5175.9-82.5-56.6000113.6L359 L370 L397 L401 T402 Q407 L408 F409 F422 F467 L472L359-F405 HydrophobicContact CD1-CE2 3.69Å; L359-F405 HydrophobicContact CD1-CZ 4.18Å; L370-F405 HydrophobicContact CD2-CE2 4.06Å; L370-F405 HydrophobicContact CD2-CZ 3.97Å; L397-F405 HydrophobicContact CD1-CD2 3.82Å; L397-F405 HydrophobicContact CD1-CE2 4.25Å; L401-F405 HydrophobicContact CD1-CD2 3.81Å; L401-F405 HydrophobicContact CD1-CE2 3.54Å; L401-F405 HydrophobicContact CD1-CZ 4.4Å; L401-F405 HydrophobicContact CD2-CE2 4.06Å; L401-F405 HydrophobicContact CG-CD2 3.79Å; L401-F405 HydrophobicContact CG-CE2 3.73Å; L401-F405 WeakPolarHBondContact O-CD2 2.8Å; L401-F405 PolarHBondContact O-N 3.13Å; T402-F405 PolarHBondContact O-N 2.95Å; F405-Q407 VanDerWaalsContact C-N 3.34Å; F405-L408 HydrophobicContact CD1-CD2 4.45Å; F405-L408 PolarHBondContact O-N 3.1Å; F405-F409 HydrophobicContact CB-CE2 4.26Å; F405-F409 AromaticContact CD1-CE1 3.86Å; F405-F409 HydrophobicContact CD1-CE1 3.86Å; F405-F409 AromaticContact CD1-CE2 3.98Å; F405-F409 HydrophobicContact CD1-CE2 3.98Å; F405-F409 AromaticContact CD1-CZ 3.47Å; F405-F409 HydrophobicContact CD1-CZ 3.47Å; F405-F409 VanDerWaalsContact CD1-CZ 3.47Å; F405-F409 HydrophobicContact CE1-CE1 4.36Å; F405-F409 AromaticContact CE1-CZ 3.97Å; F405-F409 HydrophobicContact CE1-CZ 3.97Å; F405-F409 HydrophobicContact CG-CE2 4.37Å; F405-F409 HydrophobicContact CG-CZ 4.29Å; F405-F409 WeakPolarHBondContact O-CB 3.43Å; F405-F409 VanDerWaalsContact O-CG 3.32Å; F405-F409 WeakPolarHBondContact O-CG 3.25Å; F405-F409 PolarHBondContact O-N 2.95Å; F405-F422 HydrophobicContact CB-CE2 4.24Å; F405-F422 HydrophobicContact CB-CZ 3.8Å; F405-F467 HydrophobicContact CD1-CD1 4.31Å; F405-F467 AromaticContact CD2-CD1 3.92Å; F405-F467 HydrophobicContact CD2-CD1 3.92Å; F405-F467 HydrophobicContact CD2-CE1 4.28Å; F405-F467 HydrophobicContact CE2-CD1 4.14Å; F405-F467 HydrophobicContact CG-CD1 4.02Å; F405-F467 HydrophobicContact CG-CE1 4.41Å; F405-F467 HydrophobicContact CZ-CB 4.3Å; F405-F467 HydrophobicContact CZ-CD1 4.45Å; F405-L472 HydrophobicContact CE1-CD1 4.47Å; F405-L472 HydrophobicContact CE1-CD2 4.13Å
406E86.5Confident87.5Confident78 Ų7840.7 Ų40.736%0.36423%0.229SC..Hα-helixtrans-59.4-47.3175.1-79.7-176.6158.800110.9K313 T402 Q403 T410 F422K313-E406 IonicContact NZ-OE2 2.75Å; T402-E406 HydrophobicContact CG2-CG 4.14Å; T402-E406 WeakPolarHBondContact O-CB 3.06Å; T402-E406 VanDerWaalsContact O-CG 3.3Å; T402-E406 WeakPolarHBondContact O-CG 3.37Å; T402-E406 PolarHBondContact O-N 2.75Å; Q403-E406 PolarHBondContact O-N 3.37Å; E406-T410 WeakPolarHBondContact O-CB 3.47Å; E406-T410 PolarHBondContact O-N 3.18Å; E406-T410 PolarHBondContact O-OG1 3.32Å; E406-F422 HydrophobicContact CB-CE2 4.33Å; E406-F422 HydrophobicContact CG-CD2 4.16Å; E406-F422 HydrophobicContact CG-CE2 3.47Å; E406-F422 VanDerWaalsContact CG-CE2 3.47Å; E406-F422 HydrophobicContact CG-CZ 3.71Å
407Q84.2Confident87.6Confident107 Ų10743.2 Ų43.250%0.524%0.238SC..Hα-helixtrans-62.5-52.4177.7-176.9173.6-4.700110.2Q403 F405 T410 T411Q403-Q407 WeakPolarHBondContact O-CB 3.4Å; Q403-Q407 PolarHBondContact O-N 2.85Å; F405-Q407 VanDerWaalsContact C-N 3.34Å; Q407-T410 PolarHBondContact O-N 2.99Å; Q407-T411 WeakPolarHBondContact O-CG2 3.25Å; Q407-T411 PolarHBondContact O-N 2.91Å; Q407-T411 PolarHBondContact O-OG1 3.4Å
408L88.7Confident87.6Confident1 Ų143.5 Ų43.51%0.00524%0.241CC..Hα-helixtrans-56.3-56.8-179.9178.967.2000111.9A404 F405 T410 T411 T412 F470 L472 H475 L479A404-L408 VanDerWaalsContact O-CB 3.3Å; A404-L408 WeakPolarHBondContact O-CB 3.19Å; A404-L408 PolarHBondContact O-N 2.81Å; F405-L408 HydrophobicContact CD1-CD2 4.45Å; F405-L408 PolarHBondContact O-N 3.1Å; L408-T410 VanDerWaalsContact C-N 3.26Å; L408-T410 PolarHBondContact O-N 2.89Å; L408-T411 PolarHBondContact O-N 2.73Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L408-T411 PolarHBondContact O-OG1 2.78Å; L408-T411 VanDerWaalsContact O-OG1 3.04Å; L408-T412 HydrophobicContact CD1-CG2 3.79Å; L408-T412 PolarHBondContact O-N 3.34Å; L408-T412 PolarHBondContact O-OG1 3Å; L408-F470 HydrophobicContact CD1-CE1 3.88Å; L408-F470 HydrophobicContact CD1-CZ 4.02Å; L408-F470 HydrophobicContact CD2-CD1 3.73Å; L408-F470 HydrophobicContact CD2-CE1 3.75Å; L408-F470 HydrophobicContact CD2-CG 4.39Å; L408-F470 HydrophobicContact CD2-CZ 4.44Å; L408-F470 HydrophobicContact CG-CD1 4.42Å; L408-F470 HydrophobicContact CG-CE1 4.08Å; L408-F470 HydrophobicContact CG-CZ 4.3Å; L408-L472 HydrophobicContact CD2-CD2 3.58Å; L408-H475 HydrophobicContact CD1-CB 4.17Å; L408-H475 WeakPolarHBondContact CD1-CD2 3.36Å; L408-L479 HydrophobicContact CB-CD2 4.35Å; L408-L479 HydrophobicContact CD2-CD1 3.66Å
409F90.6Very high87.7Confident0 Ų052.7 Ų52.70%028%0.275CS..Hα-helixtrans-67.1-30.2-175.1-64.4-16.7000112.7F405 V413 S414 A418 V421 F467 F469 F470F405-F409 HydrophobicContact CB-CE2 4.26Å; F405-F409 AromaticContact CD1-CE1 3.86Å; F405-F409 HydrophobicContact CD1-CE1 3.86Å; F405-F409 AromaticContact CD1-CE2 3.98Å; F405-F409 HydrophobicContact CD1-CE2 3.98Å; F405-F409 AromaticContact CD1-CZ 3.47Å; F405-F409 HydrophobicContact CD1-CZ 3.47Å; F405-F409 VanDerWaalsContact CD1-CZ 3.47Å; F405-F409 HydrophobicContact CE1-CE1 4.36Å; F405-F409 AromaticContact CE1-CZ 3.97Å; F405-F409 HydrophobicContact CE1-CZ 3.97Å; F405-F409 HydrophobicContact CG-CE2 4.37Å; F405-F409 HydrophobicContact CG-CZ 4.29Å; F405-F409 WeakPolarHBondContact O-CB 3.43Å; F405-F409 VanDerWaalsContact O-CG 3.32Å; F405-F409 WeakPolarHBondContact O-CG 3.25Å; F405-F409 PolarHBondContact O-N 2.95Å; F409-V413 WeakPolarHBondContact O-CB 3.26Å; F409-V413 PolarHBondContact O-N 3.2Å; F409-V413 VanDerWaalsContact O-N 3.16Å; F409-S414 CarbonylContact O-C 3.57Å; F409-S414 PolarHBondContact O-N 3.46Å; F409-A418 HydrophobicContact CB-CB 3.62Å; F409-V421 HydrophobicContact CE2-CB 4.47Å; F409-V421 HydrophobicContact CE2-CG1 3.98Å; F409-F467 AromaticContact CE2-CD1 3.84Å; F409-F467 HydrophobicContact CE2-CD1 3.84Å; F409-F467 HydrophobicContact CE2-CE1 4.3Å; F409-F467 HydrophobicContact CZ-CD1 4.21Å; F409-F469 HydrophobicContact CD1-CE1 4.3Å; F409-F469 AromaticContact CD1-CZ 3.92Å; F409-F469 HydrophobicContact CD1-CZ 3.92Å; F409-F469 HydrophobicContact CD2-CE1 4.4Å; F409-F469 AromaticContact CE1-CE1 3.94Å; F409-F469 HydrophobicContact CE1-CE1 3.94Å; F409-F469 AromaticContact CE1-CZ 3.84Å; F409-F469 HydrophobicContact CE1-CZ 3.84Å; F409-F469 HydrophobicContact CE2-CE1 4.03Å; F409-F469 HydrophobicContact CG-CZ 4.35Å; F409-F469 AromaticContact CZ-CE1 3.79Å; F409-F469 HydrophobicContact CZ-CE1 3.79Å; F409-F469 HydrophobicContact CZ-CZ 4.18Å; F409-F470 HydrophobicContact CD1-CD2 4.46Å; F409-F470 HydrophobicContact CE1-CB 3.72Å; F409-F470 HydrophobicContact CE1-CD2 4.36Å; F409-F470 HydrophobicContact CE1-CG 4.02Å; F409-F470 HydrophobicContact CZ-CB 4.45Å
410T87.3Confident88.1Confident56 Ų5656.6 Ų56.634%0.34429%0.293SS..Hα-helixtrans-68.4-38.5174.8-64.70000111.9E406 Q407 L408 K415E406-T410 WeakPolarHBondContact O-CB 3.47Å; E406-T410 PolarHBondContact O-N 3.18Å; E406-T410 PolarHBondContact O-OG1 3.32Å; Q407-T410 PolarHBondContact O-N 2.99Å; L408-T410 VanDerWaalsContact C-N 3.26Å; L408-T410 PolarHBondContact O-N 2.89Å; T410-K415 HydrophobicContact CG2-CD 4.34Å; T410-K415 HydrophobicContact CG2-CG 3.58Å
411T85.3Confident88.5Confident102 Ų10254.8 Ų54.863%0.62629%0.285SS*.Hα-helixtrans-85-36.3-176.956.70000113.3Q407 L408Q407-T411 WeakPolarHBondContact O-CG2 3.25Å; Q407-T411 PolarHBondContact O-N 2.91Å; Q407-T411 PolarHBondContact O-OG1 3.4Å; L408-T411 PolarHBondContact O-N 2.73Å; L408-T411 VanDerWaalsContact O-N 3.15Å; L408-T411 PolarHBondContact O-OG1 2.78Å; L408-T411 VanDerWaalsContact O-OG1 3.04Å
412T88.5Confident88.5Confident61 Ų6155.4 Ų55.437%0.37429%0.287SS..Hα-helixtrans-103.3-19.2-171.8630000114.6L408 F470L408-T412 HydrophobicContact CD1-CG2 3.79Å; L408-T412 PolarHBondContact O-N 3.34Å; L408-T412 PolarHBondContact O-OG1 3Å; T412-F470 HydrophobicContact CG2-CZ 4.23Å; T412-F470 WeakPolarHBondContact OG1-CE2 3.35Å; T412-F470 VanDerWaalsContact OG1-CZ 3.32Å; T412-F470 WeakPolarHBondContact OG1-CZ 3.45Å
413V88Confident88.6Confident61 Ų6157.9 Ų57.937%0.3731%0.308SS..THydrogen-bonded Turntrans-122.3-79.1-174.8-170.60000111.7F409 R417 F469 F470F409-V413 WeakPolarHBondContact O-CB 3.26Å; F409-V413 PolarHBondContact O-N 3.2Å; F409-V413 VanDerWaalsContact O-N 3.16Å; V413-R417 HydrophobicContact CG1-CB 3.87Å; V413-R417 HydrophobicContact CG1-CG 3.76Å; V413-F469 HydrophobicContact CB-CZ 4.5Å; V413-F469 HydrophobicContact CG1-CE2 4.3Å; V413-F469 HydrophobicContact CG1-CZ 4.28Å; V413-F469 HydrophobicContact CG2-CE2 3.88Å; V413-F469 HydrophobicContact CG2-CZ 3.88Å; V413-F470 HydrophobicContact CG2-CD2 3.73Å; V413-F470 HydrophobicContact CG2-CE2 3.66Å
414S89.7Confident88.7Confident48 Ų4858.3 Ų58.334%0.33631%0.31SS..  trans-177.9153.1168.863.10000110.3F409 A416 R417 A418F409-S414 CarbonylContact O-C 3.57Å; F409-S414 PolarHBondContact O-N 3.46Å; S414-A416 PolarHBondContact O-N 2.76Å; S414-R417 PolarHBondContact O-N 2.79Å; S414-R417 VanDerWaalsContact OG-CB 3.29Å; S414-R417 WeakPolarHBondContact OG-CB 3.35Å; S414-R417 PolarHBondContact OG-N 3Å; S414-R417 VanDerWaalsContact OG-N 3.08Å; S414-A418 PolarHBondContact O-N 2.91Å
415K90.5Very high88.7Confident141 Ų14157.5 Ų57.561%0.61330%0.304SS*.Hα-helixtrans-55.1-37.1170.8-70.9-178.7-179.9177.70112.8T410 R419T410-K415 HydrophobicContact CG2-CD 4.34Å; T410-K415 HydrophobicContact CG2-CG 3.58Å; K415-R419 WeakPolarHBondContact O-CG 3.27Å; K415-R419 PolarHBondContact O-N 3.06Å; K415-R419 VanDerWaalsContact O-N 3.12Å
416A91.8Very high88.5Confident70 Ų7061.3 Ų61.358%0.57932%0.321SS*.Hα-helixtrans-66.1-47-18000000111.3S414 R419 E420S414-A416 PolarHBondContact O-N 2.76Å; A416-R419 PolarHBondContact O-N 3.34Å; A416-E420 PolarHBondContact O-N 2.82Å
417R89Confident88.4Confident59 Ų5964.6 Ų64.622%0.22333%0.334CS..Hα-helixtrans-65.2-40.9178.2-172.859.8174.9162.56112.1V413 S414 R419 E420 V421 T465 F469V413-R417 HydrophobicContact CG1-CB 3.87Å; V413-R417 HydrophobicContact CG1-CG 3.76Å; S414-R417 PolarHBondContact O-N 2.79Å; S414-R417 VanDerWaalsContact OG-CB 3.29Å; S414-R417 WeakPolarHBondContact OG-CB 3.35Å; S414-R417 PolarHBondContact OG-N 3Å; S414-R417 VanDerWaalsContact OG-N 3.08Å; R417-R419 PolarHBondContact O-N 2.95Å; R417-E420 WeakPolarHBondContact CD-OE2 3.28Å; R417-E420 IonicContact CZ-OE2 3.51Å; R417-E420 IonicContact NH1-OE1 3.69Å; R417-E420 PolarHBondContact NH1-OE1 3.32Å; R417-E420 IonicContact NH1-OE2 3.56Å; R417-E420 PolarHBondContact NH1-OE2 3.19Å; R417-E420 PolarHBondContact O-N 2.93Å; R417-V421 WeakPolarHBondContact O-CG2 3.39Å; R417-V421 PolarHBondContact O-N 2.85Å; R417-T465 PolarHBondContact NH2-O 2.87Å; R417-F469 HydrophobicContact CG-CE1 4.44Å; R417-F469 HydrophobicContact CG-CZ 4.32Å
418A89.6Confident88Confident6 Ų661.5 Ų61.55%0.0532%0.322CS..Hα-helixtrans-55.5-52174.300000111.1F409 S414 E420 V421 F422F409-A418 HydrophobicContact CB-CB 3.62Å; S414-A418 PolarHBondContact O-N 2.91Å; A418-E420 VanDerWaalsContact C-N 3.32Å; A418-E420 PolarHBondContact O-N 3.17Å; A418-V421 PolarHBondContact O-N 2.83Å; A418-F422 VanDerWaalsContact O-CD2 3.29Å; A418-F422 WeakPolarHBondContact O-CD2 3.46Å; A418-F422 PolarHBondContact O-N 3.17Å; A418-F422 VanDerWaalsContact O-N 3.1Å
419R91Very high87.4Confident193 Ų19362 Ų6273%0.72833%0.326SS*.Hα-helixtrans-58.6-42.6177.9-74.2175.2178.2177.9-1.3112.7K415 A416 R417 A423K415-R419 WeakPolarHBondContact O-CG 3.27Å; K415-R419 PolarHBondContact O-N 3.06Å; K415-R419 VanDerWaalsContact O-N 3.12Å; A416-R419 PolarHBondContact O-N 3.34Å; R417-R419 PolarHBondContact O-N 2.95Å; R419-A423 VanDerWaalsContact O-CB 3.24Å; R419-A423 WeakPolarHBondContact O-CB 3.4Å; R419-A423 PolarHBondContact O-N 2.7Å
420E91.7Very high86.7Confident86 Ų8670.3 Ų70.340%0.40236%0.362SS..Hα-helixtrans-61-48178.6-167.8-163.5165.400111.5A416 R417 A418 F422 A423 Q424A416-E420 PolarHBondContact O-N 2.82Å; R417-E420 WeakPolarHBondContact CD-OE2 3.28Å; R417-E420 IonicContact CZ-OE2 3.51Å; R417-E420 IonicContact NH1-OE1 3.69Å; R417-E420 PolarHBondContact NH1-OE1 3.32Å; R417-E420 IonicContact NH1-OE2 3.56Å; R417-E420 PolarHBondContact NH1-OE2 3.19Å; R417-E420 PolarHBondContact O-N 2.93Å; A418-E420 VanDerWaalsContact C-N 3.32Å; A418-E420 PolarHBondContact O-N 3.17Å; E420-F422 PolarHBondContact O-N 3.49Å; E420-A423 PolarHBondContact O-N 3.22Å; E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.07Å; E420-Q424 PolarHBondContact OE1-NE2 3.3Å; E420-Q424 VanDerWaalsContact OE1-NE2 3.13Å
421V91.1Very high85.9Confident0 Ų072.9 Ų72.90%037%0.371CS..Hα-helixtrans-62.3-46.1-179.2170.70000111.5F409 R417 A418 Q424 A425 R466 F467 F469F409-V421 HydrophobicContact CE2-CB 4.47Å; F409-V421 HydrophobicContact CE2-CG1 3.98Å; R417-V421 WeakPolarHBondContact O-CG2 3.39Å; R417-V421 PolarHBondContact O-N 2.85Å; A418-V421 PolarHBondContact O-N 2.83Å; V421-Q424 PolarHBondContact O-N 3.27Å; V421-A425 PolarHBondContact O-N 3.04Å; V421-R466 HydrophobicContact CG1-CB 4.14Å; V421-F467 HydrophobicContact CG1-CD1 3.82Å; V421-F467 HydrophobicContact CG1-CE1 3.74Å; V421-F467 HydrophobicContact CG1-CG 4.23Å; V421-F467 HydrophobicContact CG1-CZ 4.1Å; V421-F469 HydrophobicContact CG2-CD1 4.2Å; V421-F469 HydrophobicContact CG2-CE1 3.93Å
422F89.6Confident85.1Confident17 Ų1772.5 Ų72.58%0.07536%0.364CS..Hα-helixtrans-66.1-37.4176.3-81.5-76.2000112.5L397 T402 F405 E406 A418 E420 A425 K426 F467L397-F422 HydrophobicContact CD1-CE1 4.25Å; T402-F422 HydrophobicContact CG2-CE1 3.73Å; T402-F422 HydrophobicContact CG2-CZ 4.01Å; F405-F422 HydrophobicContact CB-CE2 4.24Å; F405-F422 HydrophobicContact CB-CZ 3.8Å; E406-F422 HydrophobicContact CB-CE2 4.33Å; E406-F422 HydrophobicContact CG-CD2 4.16Å; E406-F422 HydrophobicContact CG-CE2 3.47Å; E406-F422 VanDerWaalsContact CG-CE2 3.47Å; E406-F422 HydrophobicContact CG-CZ 3.71Å; A418-F422 VanDerWaalsContact O-CD2 3.29Å; A418-F422 WeakPolarHBondContact O-CD2 3.46Å; A418-F422 PolarHBondContact O-N 3.17Å; A418-F422 VanDerWaalsContact O-N 3.1Å; E420-F422 PolarHBondContact O-N 3.49Å; F422-A425 PolarHBondContact O-N 2.79Å; F422-K426 WeakPolarHBondContact O-CB 3.36Å; F422-K426 WeakPolarHBondContact O-CG 3.36Å; F422-K426 PolarHBondContact O-N 2.64Å; F422-F467 HydrophobicContact CD1-CE1 4.23Å; F422-F467 HydrophobicContact CD1-CZ 4.06Å; F422-F467 AromaticContact CE1-CE1 3.89Å; F422-F467 HydrophobicContact CE1-CE1 3.89Å; F422-F467 HydrophobicContact CE1-CZ 4.01Å; F422-F467 HydrophobicContact CE2-CE1 4.36Å; F422-F467 AromaticContact CZ-CE1 3.96Å; F422-F467 HydrophobicContact CZ-CE1 3.96Å
423A89.8Confident84Confident61 Ų6176.5 Ų76.550%0.50438%0.384SS..Hα-helixtrans-63.9-42176.300000112R419 E420 K426 K427R419-A423 VanDerWaalsContact O-CB 3.24Å; R419-A423 WeakPolarHBondContact O-CB 3.4Å; R419-A423 PolarHBondContact O-N 2.7Å; E420-A423 PolarHBondContact O-N 3.22Å; A423-K426 PolarHBondContact O-N 3.21Å; A423-K427 PolarHBondContact O-N 3.44Å
424Q86.9Confident83.1Confident57 Ų5774.3 Ų74.327%0.26637%0.369SS..Hα-helixtrans-62.9-44.5175-69.9179.824.200111.6E420 V421 K427 T428 R466E420-Q424 WeakPolarHBondContact O-CG 3.3Å; E420-Q424 PolarHBondContact O-N 3.07Å; E420-Q424 PolarHBondContact OE1-NE2 3.3Å; E420-Q424 VanDerWaalsContact OE1-NE2 3.13Å; V421-Q424 PolarHBondContact O-N 3.27Å; Q424-K427 WeakPolarHBondContact O-CB 3.16Å; Q424-K427 PolarHBondContact O-N 2.87Å; Q424-T428 PolarHBondContact O-N 3.37Å; Q424-T428 VanDerWaalsContact O-N 3.12Å; Q424-T428 PolarHBondContact O-OG1 2.85Å; Q424-R466 HydrophobicContact CB-CG 4.23Å
425A83.3Confident82.4Confident2 Ų275.3 Ų75.32%0.01737%0.368CS..Hα-helixtrans-65.2-40.3179.300000112.3I396 V421 F422 K427 T428 A429 F467I396-A425 VanDerWaalsContact CD1-C 3.45Å; I396-A425 HydrophobicContact CD1-CB 3.35Å; V421-A425 PolarHBondContact O-N 3.04Å; F422-A425 PolarHBondContact O-N 2.79Å; A425-K427 VanDerWaalsContact C-N 3.32Å; A425-K427 PolarHBondContact O-N 2.66Å; A425-T428 PolarHBondContact O-N 3.35Å; A425-A429 PolarHBondContact O-N 2.53Å; A425-F467 HydrophobicContact CB-CE2 3.54Å; A425-F467 HydrophobicContact CB-CZ 3.84Å
426K85.6Confident81.5Confident82 Ų8269.5 Ų69.536%0.35734%0.343SS..Hα-helixtrans-63.3-36.6173-73.6-178-175.6-161.80112.5T394 I396 F422 A423 A429 K430T394-K426 WeakPolarHBondContact O-CE 3.3Å; T394-K426 PolarHBondContact O-NZ 3.04Å; I396-K426 HydrophobicContact CD1-CG 4.27Å; I396-K426 HydrophobicContact CG2-CG 4.29Å; F422-K426 WeakPolarHBondContact O-CB 3.36Å; F422-K426 WeakPolarHBondContact O-CG 3.36Å; F422-K426 PolarHBondContact O-N 2.64Å; A423-K426 PolarHBondContact O-N 3.21Å; K426-A429 PolarHBondContact O-N 3.37Å; K426-K430 WeakPolarHBondContact O-CG 3.5Å; K426-K430 PolarHBondContact O-N 3.42Å; K426-K430 VanDerWaalsContact O-N 3.13Å
427K84.3Confident80.8Confident147 Ų14767.7 Ų67.764%0.63932%0.322SS*.Hα-helixtrans-61.1-46.7174.6-173.8-177.8176.6-176.60110.9A423 Q424 A425 A429 K430A423-K427 PolarHBondContact O-N 3.44Å; Q424-K427 WeakPolarHBondContact O-CB 3.16Å; Q424-K427 PolarHBondContact O-N 2.87Å; A425-K427 VanDerWaalsContact C-N 3.32Å; A425-K427 PolarHBondContact O-N 2.66Å; K427-A429 VanDerWaalsContact C-N 3.3Å; K427-A429 PolarHBondContact O-N 2.67Å; K427-K430 PolarHBondContact O-N 2.88Å
428T75.1Confident80.5Confident41 Ų4169.6 Ų69.625%0.25233%0.333SS..Hα-helixtrans-63.2-36.7174.9-58.10000112Q424 A425 K430 E431Q424-T428 PolarHBondContact O-N 3.37Å; Q424-T428 VanDerWaalsContact O-N 3.12Å; Q424-T428 PolarHBondContact O-OG1 2.85Å; A425-T428 PolarHBondContact O-N 3.35Å; T428-K430 VanDerWaalsContact C-N 3.31Å; T428-K430 PolarHBondContact O-N 2.73Å; T428-E431 PolarHBondContact O-N 2.74Å
429A77Confident80.2Confident12 Ų1270.1 Ų70.110%0.09934%0.339CS..Hα-helixtrans-62.9-36.2177.800000112.8I396 A425 K426 K427 E431 N432 H434I396-A429 HydrophobicContact CB-CB 4.43Å; I396-A429 HydrophobicContact CG2-CB 3.68Å; A425-A429 PolarHBondContact O-N 2.53Å; K426-A429 PolarHBondContact O-N 3.37Å; K427-A429 VanDerWaalsContact C-N 3.3Å; K427-A429 PolarHBondContact O-N 2.67Å; A429-E431 PolarHBondContact O-N 2.98Å; A429-E431 VanDerWaalsContact O-N 3.15Å; A429-N432 PolarHBondContact O-N 2.82Å; A429-N432 VanDerWaalsContact O-N 3.15Å; A429-H434 WeakPolarHBondContact CA-CE1 3.49Å; A429-H434 PolarHBondContact O-CE1 3.05Å; A429-H434 PolarHBondContact O-ND1 3.41Å
430K76.6Confident79.7Confident175 Ų17563.6 Ų63.676%0.76132%0.316SS*.Hα-helixtrans-61.7-22.9177.5-71.3179.2178.1-170.50114.2K426 K427 T428 N432K426-K430 WeakPolarHBondContact O-CG 3.5Å; K426-K430 PolarHBondContact O-N 3.42Å; K426-K430 VanDerWaalsContact O-N 3.13Å; K427-K430 PolarHBondContact O-N 2.88Å; T428-K430 VanDerWaalsContact C-N 3.31Å; T428-K430 PolarHBondContact O-N 2.73Å; K430-N432 PolarHBondContact O-N 3.04Å
431E70.4Confident79Confident110 Ų11059.5 Ų59.551%0.51430%0.297SS..THydrogen-bonded Turntrans-79-6-179-64.4171.7-173.900112.6T428 A429 N433T428-E431 PolarHBondContact O-N 2.74Å; A429-E431 PolarHBondContact O-N 2.98Å; A429-E431 VanDerWaalsContact O-N 3.15Å; E431-N433 PolarHBondContact O-N 3.09Å; E431-N433 PolarHBondContact O-OD1 3.29Å
432N67.9Low78.1Confident93 Ų9359.8 Ų59.850%0.49730%0.298SS..SBendtrans56.8-12.4-178.1-74.8-35.3000117A429 K430 H434 K435A429-N432 PolarHBondContact O-N 2.82Å; A429-N432 VanDerWaalsContact O-N 3.15Å; K430-N432 PolarHBondContact O-N 3.04Å; N432-H434 PolarHBondContact O-N 2.97Å; N432-K435 PolarHBondContact O-N 3.36Å; N432-K435 VanDerWaalsContact O-N 3.1Å; N432-K435 VanDerWaalsContact OD1-CE 3.26Å; N432-K435 WeakPolarHBondContact OD1-CE 3.22Å
433N64.5Low77.8Confident145 Ų14559.2 Ų59.278%0.77530%0.296SS*.THydrogen-bonded Turntrans-63.4-3177.6-64.5-22.5000114.9E431E431-N433 PolarHBondContact O-N 3.09Å; E431-N433 PolarHBondContact O-OD1 3.29Å
434H69.5Low77.5Confident15 Ų1557 Ų577%0.06928%0.277CS..THydrogen-bonded Turntrans-99.1-9179.969.5-65.7000112.3A429 N432 L436 T457 V458 Y459A429-H434 WeakPolarHBondContact CA-CE1 3.49Å; A429-H434 PolarHBondContact O-CE1 3.05Å; A429-H434 PolarHBondContact O-ND1 3.41Å; N432-H434 PolarHBondContact O-N 2.97Å; H434-L436 PolarHBondContact O-N 3.28Å; H434-T457 WeakPolarHBondContact CD2-CG2 3.18Å; H434-T457 CarbonylContact O-C 3.59Å; H434-T457 WeakPolarHBondContact O-CA 3.39Å; H434-V458 WeakPolarHBondContact CB-O 3.37Å; H434-V458 PolarHBondContact O-N 3.1Å; H434-Y459 HydrophobicContact CB-CE1 4.39Å; H434-Y459 AromaticContact CD2-CE1 3.79Å; H434-Y459 AromaticContact CD2-CZ 3.51Å; H434-Y459 PolarHBondContact CD2-OH 2.84Å; H434-Y459 PolarHBondContact NE2-OH 3.46Å
435K74.7Confident77.5Confident69 Ų6956.5 Ų56.530%0.327%0.272SS..EExtended strand (participates in β ladder)trans-77.3122.2179.3-65-175.4176.5-174.30110.1N432 L455 T457N432-K435 PolarHBondContact O-N 3.36Å; N432-K435 VanDerWaalsContact O-N 3.1Å; N432-K435 VanDerWaalsContact OD1-CE 3.26Å; N432-K435 WeakPolarHBondContact OD1-CE 3.22Å; K435-L455 HydrophobicContact CD-CD1 4.18Å; K435-L455 HydrophobicContact CG-CD1 4.23Å; K435-T457 HydrophobicContact CG-CG2 4.35Å
436L72.8Confident77.9Confident19 Ų1956.9 Ų56.910%0.09928%0.275CS..EExtended strand (participates in β ladder)trans-89.5-43.7175-60.9174.6000110.9V358 H434 A456 V458 F502 F539V358-L436 HydrophobicContact CG2-CD1 3.81Å; H434-L436 PolarHBondContact O-N 3.28Å; L436-A456 HydrophobicContact CB-CB 4.03Å; L436-A456 HydrophobicContact CD1-CB 4.43Å; L436-A456 PolarHBondContact N-O 3.09Å; L436-V458 HydrophobicContact CD1-CB 3.99Å; L436-V458 HydrophobicContact CD2-CB 3.84Å; L436-V458 HydrophobicContact CD2-CG1 3.53Å; L436-V458 HydrophobicContact CG-CB 3.97Å; L436-V458 HydrophobicContact CG-CG1 4Å; L436-F502 HydrophobicContact CD1-CE1 3.62Å; L436-F502 HydrophobicContact CD1-CZ 3.93Å; L436-F539 HydrophobicContact CB-CE1 4.24Å; L436-F539 HydrophobicContact CB-CZ 4.37Å; L436-F539 HydrophobicContact CD2-CD1 4.03Å; L436-F539 HydrophobicContact CD2-CE1 3.12Å; L436-F539 HydrophobicContact CD2-CE2 4.47Å; L436-F539 HydrophobicContact CD2-CZ 3.39Å; L436-F539 HydrophobicContact CG-CE1 4.27Å; L436-F539 HydrophobicContact CG-CZ 4.46Å; L436-F539 WeakPolarHBondContact O-CD2 3.4Å
437Y75.6Confident78.2Confident32 Ų3253 Ų5313%0.12526%0.258CS..EExtended strand (participates in β ladder)trans-153.1141.9-178.7177.6-94.1000109.5F440 V454 L455 A456 F532 D535 L536Y437-F440 PolarHBondContact OH-O 3.32Å; Y437-V454 HydrophobicContact CD1-CB 4.05Å; Y437-V454 HydrophobicContact CD1-CG1 3.98Å; Y437-V454 HydrophobicContact CE1-CB 4.1Å; Y437-L455 CarbonylContact O-C 3.33Å; Y437-L455 WeakPolarHBondContact O-CA 3.24Å; Y437-A456 PolarHBondContact N-O 2.83Å; Y437-A456 PolarHBondContact O-N 3.35Å; Y437-F532 HydrophobicContact CD1-CD2 4.19Å; Y437-F532 AromaticContact CD1-CE2 3.64Å; Y437-F532 HydrophobicContact CD1-CE2 3.64Å; Y437-F532 AromaticContact CE1-CD2 3.61Å; Y437-F532 HydrophobicContact CE1-CD2 3.61Å; Y437-F532 AromaticContact CE1-CE2 3.43Å; Y437-F532 HydrophobicContact CE1-CE2 3.43Å; Y437-F532 VanDerWaalsContact CE1-CE2 3.43Å; Y437-F532 HydrophobicContact CE2-CD2 4Å; Y437-F532 HydrophobicContact CE2-CE2 4.37Å; Y437-F532 HydrophobicContact CG-CE2 4.19Å; Y437-F532 AromaticContact CZ-CD2 3.5Å; Y437-F532 VanDerWaalsContact CZ-CD2 3.5Å; Y437-F532 AromaticContact CZ-CE2 3.83Å; Y437-D535 HydrophobicContact CD2-CB 4.32Å; Y437-D535 HydrophobicContact CE2-CB 4.11Å; Y437-L536 HydrophobicContact CG-CD2 4.47Å
438Q82.8Confident78.7Confident100 Ų10046 Ų4647%0.46723%0.228SC..EExtended strand (participates in β ladder)trans-143.6113170.6-176.8176.4-11.700108.5V454 L455Q438-V454 VanDerWaalsContact CA-O 3.28Å; Q438-V454 WeakPolarHBondContact CA-O 3.31Å; Q438-L455 HydrophobicContact CB-CD1 3.99Å; Q438-L455 HydrophobicContact CG-CD1 4.06Å
439G83.3Confident79.7Confident16 Ų1645.6 Ų45.617%0.16522%0.224CC..EExtended strand (participates in β ladder)trans169.7-176.5-179.700000114.1E453 V454G439-E453 CarbonylContact O-C 3.45Å; G439-E453 WeakPolarHBondContact O-CA 3.11Å; G439-E453 WeakPolarHBondContact O-CB 3.44Å; G439-V454 PolarHBondContact N-O 2.95Å; G439-V454 VanDerWaalsContact N-O 3.09Å; G439-V454 PolarHBondContact O-N 3.02Å
440F81.2Confident80.5Confident56 Ų5645 Ų4525%0.24622%0.219CC..EExtended strand (participates in β ladder)trans-54.8139.9177.8179.9-93000111.2P334 A335 Y437 W451P334-F440 HydrophobicContact CG-CD2 4.19Å; A335-F440 HydrophobicContact CB-CE1 4.05Å; A335-F440 HydrophobicContact CB-CE2 3.78Å; A335-F440 HydrophobicContact CB-CZ 3.46Å; A335-F440 VanDerWaalsContact CB-CZ 3.46Å; Y437-F440 PolarHBondContact OH-O 3.32Å; F440-W451 AromaticContact CD2-CD1 3.89Å; F440-W451 HydrophobicContact CD2-CG 4.47Å; F440-W451 HydrophobicContact CE2-CB 4.12Å; F440-W451 HydrophobicContact CE2-CG 4.36Å
441A76.7Confident81.2Confident0 Ų037 Ų370%018%0.184CC..EExtended strand (participates in β ladder)trans-127.6134.6170.100000109.6D443 V452 V454 P504A441-D443 PolarHBondContact O-N 2.77Å; A441-V452 HydrophobicContact CB-CG1 4.38Å; A441-V452 PolarHBondContact N-O 3.05Å; A441-V454 HydrophobicContact CB-CB 4.13Å; A441-V454 HydrophobicContact CB-CG2 3.42Å; A441-V454 VanDerWaalsContact CB-CG2 3.42Å; A441-P504 HydrophobicContact CB-CG 4.2Å
442P72.4Confident82.2Confident6 Ų631.7 Ų31.74%0.03916%0.159CC..  trans-57.7129.1169.822.9-29.6000109V507 I525 L529P442-V507 WeakPolarHBondContact O-CG2 3.49Å; P442-I525 HydrophobicContact CB-CB 4.13Å; P442-I525 HydrophobicContact CB-CG1 3.83Å; P442-I525 HydrophobicContact CB-CG2 3.99Å; P442-I525 HydrophobicContact CG-CG2 4.28Å; P442-L529 HydrophobicContact CG-CB 4.2Å
443D82.9Confident83.2Confident6 Ų629.4 Ų29.43%0.03215%0.146CC..  trans-146.4129.2173.7-169.7-58000109.1A441 R445 S446 V452 P504 S506A441-D443 PolarHBondContact O-N 2.77Å; D443-R445 PolarHBondContact O-N 3.46Å; D443-R445 WeakPolarHBondContact OD1-CB 3.25Å; D443-R445 WeakPolarHBondContact OD1-CG 3.32Å; D443-R445 IonicContact OD1-CZ 2.84Å; D443-R445 PolarHBondContact OD1-N 3.36Å; D443-R445 IonicContact OD1-NE 3.84Å; D443-R445 PolarHBondContact OD1-NE 3.09Å; D443-R445 IonicContact OD1-NH2 2.75Å; D443-R445 IonicContact OD2-CZ 3.55Å; D443-R445 IonicContact OD2-NE 2.84Å; D443-R445 PolarHBondContact OD2-NE 3.39Å; D443-R445 IonicContact OD2-NH2 3.73Å; D443-R445 PolarHBondContact OD2-NH2 3.3Å; D443-S446 WeakPolarHBondContact O-CB 3.07Å; D443-S446 PolarHBondContact O-N 2.96Å; D443-S446 PolarHBondContact O-OG 2.55Å; D443-V452 HydrophobicContact CB-CB 3.79Å; D443-V452 HydrophobicContact CB-CG1 4.49Å; D443-V452 HydrophobicContact CB-CG2 3.51Å; D443-P504 HydrophobicContact CB-CG 4.39Å; D443-P504 VanDerWaalsContact OD2-CB 3.26Å; D443-P504 WeakPolarHBondContact OD2-CB 3.49Å; D443-S506 VanDerWaalsContact CG-OG 3.25Å; D443-S506 PolarHBondContact OD1-OG 2.6Å; D443-S506 PolarHBondContact OD2-OG 2.82Å
444P82.9Confident84.4Confident14 Ų1422.5 Ų22.59%0.09111%0.109CC..THydrogen-bonded Turntrans-64.2-11.2-178.728.6-38.4000113.9P272 R278 S506 L521P272-P444 WeakPolarHBondContact CD-O 3.44Å; P272-P444 HydrophobicContact CG-CB 3.74Å; P272-P444 HydrophobicContact CG-CG 4.1Å; R278-P444 PolarHBondContact NH2-O 3.24Å; P444-S506 WeakPolarHBondContact CD-OG 3.14Å; P444-L521 HydrophobicContact CB-CD2 4.33Å
445R88.1Confident85.3Confident47 Ų4722.5 Ų22.518%0.17711%0.109CC..THydrogen-bonded Turntrans-84.7-10.7172.3-61.3169.9-69.2-170.60.7113.1Y271 P272 L346 D443 S506Y271-R445 VanDerWaalsContact OH-CA 3.27Å; Y271-R445 WeakPolarHBondContact OH-CA 3.4Å; Y271-R445 WeakPolarHBondContact OH-CB 3.04Å; Y271-R445 PolarHBondContact OH-O 3.01Å; P272-R445 HydrophobicContact CG-CG 4.37Å; L346-R445 HydrophobicContact CD2-CB 3.81Å; L346-R445 HydrophobicContact CG-CB 4.02Å; D443-R445 PolarHBondContact O-N 3.46Å; D443-R445 WeakPolarHBondContact OD1-CB 3.25Å; D443-R445 WeakPolarHBondContact OD1-CG 3.32Å; D443-R445 IonicContact OD1-CZ 2.84Å; D443-R445 PolarHBondContact OD1-N 3.36Å; D443-R445 IonicContact OD1-NE 3.84Å; D443-R445 PolarHBondContact OD1-NE 3.09Å; D443-R445 IonicContact OD1-NH2 2.75Å; D443-R445 IonicContact OD2-CZ 3.55Å; D443-R445 IonicContact OD2-NE 2.84Å; D443-R445 PolarHBondContact OD2-NE 3.39Å; D443-R445 IonicContact OD2-NH2 3.73Å; D443-R445 PolarHBondContact OD2-NH2 3.3Å; R445-S506 PolarHBondContact NH2-OG 3.19Å
446S90.8Very high85.8Confident10 Ų1019.2 Ų19.27%0.0710%0.095CC..  trans-64.9136.8179.8-58.90000111.5R278 D443 A450R278-S446 VanDerWaalsContact CZ-O 3.26Å; R278-S446 PolarHBondContact NH1-O 2.88Å; R278-S446 PolarHBondContact NH2-O 2.95Å; D443-S446 WeakPolarHBondContact O-CB 3.07Å; D443-S446 PolarHBondContact O-N 2.96Å; D443-S446 PolarHBondContact O-OG 2.55Å; S446-A450 CarbonylContact C-O 3.6Å; S446-A450 WeakPolarHBondContact CA-O 3.4Å
447T93.6Very high86.2Confident0 Ų018.3 Ų18.30%09%0.09CC..  trans-121.1-175.3179.567.10000109.5Y271 N333 T338 L340 G342 D449 A450Y271-T447 HydrophobicContact CE2-CG2 4.2Å; N333-T447 VanDerWaalsContact CB-O 3.3Å; N333-T447 WeakPolarHBondContact CB-O 3.29Å; N333-T447 PolarHBondContact ND2-O 3.47Å; T338-T447 VanDerWaalsContact CG2-C 3.5Å; T338-T447 WeakPolarHBondContact CG2-O 3.46Å; T338-T447 WeakPolarHBondContact OG1-CA 3.37Å; L340-T447 HydrophobicContact CB-CG2 4.49Å; L340-T447 HydrophobicContact CD2-CG2 4.06Å; L340-T447 HydrophobicContact CG-CG2 4.49Å; L340-T447 WeakPolarHBondContact O-CB 3.27Å; G342-T447 VanDerWaalsContact O-CB 3.25Å; G342-T447 WeakPolarHBondContact O-CB 3.28Å; G342-T447 PolarHBondContact O-OG1 3.01Å; T447-D449 PolarHBondContact O-N 2.66Å; T447-D449 PolarHBondContact OG1-N 2.71Å; T447-A450 PolarHBondContact N-O 3.43Å; T447-A450 PolarHBondContact OG1-N 3.47Å; T447-A450 PolarHBondContact OG1-O 3.48Å
448D94.9Very high86.4Confident1 Ų118.8 Ų18.81%0.00510%0.097CC..SBendtrans-66.9-26174.7-69.36.4000112.6W288 Y295 K332 N333 T338 L340W288-D448 HydrophobicContact CH2-CB 4.15Å; W288-D448 HydrophobicContact CZ2-CB 4.15Å; Y295-D448 WeakPolarHBondContact CE1-OD2 3.39Å; Y295-D448 VanDerWaalsContact CZ-OD2 3.26Å; Y295-D448 VanDerWaalsContact OH-CG 3.26Å; Y295-D448 PolarHBondContact OH-OD1 3.46Å; Y295-D448 PolarHBondContact OH-OD2 2.79Å; K332-D448 WeakPolarHBondContact CA-O 3.46Å; N333-D448 PolarHBondContact N-O 3.12Å; T338-D448 WeakPolarHBondContact CA-OD1 3.48Å; T338-D448 WeakPolarHBondContact CB-OD1 3.14Å; T338-D448 PolarHBondContact N-OD1 3.07Å; T338-D448 PolarHBondContact OG1-N 3.27Å; T338-D448 PolarHBondContact OG1-OD1 3.34Å; L340-D448 WeakPolarHBondContact O-CB 3.12Å; L340-D448 VanDerWaalsContact O-CG 3.3Å; L340-D448 PolarHBondContact O-N 2.8Å
449D94.5Very high86.3Confident31 Ų3114.7 Ų14.717%0.1668%0.077CC..SBendtrans-118.60.7-171-50.5-46.3000112.6K332 G342 L349 G350 T447K332-D449 IonicContact NZ-OD1 2.92Å; K332-D449 PolarHBondContact NZ-OD1 2.58Å; G342-D449 PolarHBondContact N-OD2 3.16Å; L349-D449 HydrophobicContact CD2-CB 3.87Å; G350-D449 PolarHBondContact N-O 3.13Å; T447-D449 PolarHBondContact O-N 2.66Å; T447-D449 PolarHBondContact OG1-N 2.71Å
450A93.6Very high86Confident0 Ų015.7 Ų15.70%08%0.078CC..EExtended strand (participates in β ladder)trans-152132.9175.700000111.3K343 L346 N348 G350 S446 T447K343-A450 HydrophobicContact CB-CB 4.17Å; L346-A450 HydrophobicContact CB-CB 4.34Å; L346-A450 HydrophobicContact CD1-CB 3.76Å; N348-A450 WeakPolarHBondContact O-CB 3.45Å; G350-A450 CarbonylContact O-C 3.51Å; G350-A450 VanDerWaalsContact O-CA 3.27Å; G350-A450 WeakPolarHBondContact O-CA 3.27Å; S446-A450 CarbonylContact C-O 3.6Å; S446-A450 WeakPolarHBondContact CA-O 3.4Å; T447-A450 PolarHBondContact N-O 3.43Å; T447-A450 PolarHBondContact OG1-N 3.47Å; T447-A450 PolarHBondContact OG1-O 3.48Å
451W92.6Very high86Confident6 Ų613.3 Ų13.32%0.0237%0.068CC..EExtended strand (participates in β ladder)trans-142.6170179.561.293.9000111.5M331 N333 P334 G350 V351 N352 F440 E453M331-W451 HydrophobicContact CB-CH2 3.77Å; M331-W451 HydrophobicContact CB-CZ3 4.37Å; M331-W451 HydrophobicContact CE-CH2 4.2Å; M331-W451 HydrophobicContact CE-CZ2 4.27Å; N333-W451 HydrophobicContact CB-CE3 3.93Å; P334-W451 VanDerWaalsContact CD-CE2 3.47Å; G350-W451 PolarHBondContact O-N 3.16Å; V351-W451 HydrophobicContact CG2-CZ2 3.53Å; N352-W451 WeakPolarHBondContact CB-O 3.46Å; N352-W451 PolarHBondContact N-O 3.12Å; N352-W451 PolarHBondContact ND2-O 2.98Å; F440-W451 AromaticContact CD2-CD1 3.89Å; F440-W451 HydrophobicContact CD2-CG 4.47Å; F440-W451 HydrophobicContact CE2-CB 4.12Å; F440-W451 HydrophobicContact CE2-CG 4.36Å; W451-E453 PolarHBondContact NE1-OE1 2.7Å; W451-E453 VanDerWaalsContact NE1-OE1 3.12Å
452V90.5Very high85.9Confident0 Ų014.7 Ų14.70%07%0.074CC..EExtended strand (participates in β ladder)trans-101.4133.3-179.31800000110.2L346 N352 L354 F388 A441 D443 P504L346-V452 HydrophobicContact CD1-CG2 4.27Å; L346-V452 HydrophobicContact CD2-CG2 3.74Å; N352-V452 WeakPolarHBondContact O-CA 3.35Å; L354-V452 HydrophobicContact CB-CG1 3.87Å; L354-V452 HydrophobicContact CD2-CG1 4.12Å; F388-V452 HydrophobicContact CE1-CG1 4.08Å; F388-V452 HydrophobicContact CE1-CG2 3.87Å; F388-V452 HydrophobicContact CZ-CG2 3.91Å; A441-V452 HydrophobicContact CB-CG1 4.38Å; A441-V452 PolarHBondContact N-O 3.05Å; D443-V452 HydrophobicContact CB-CB 3.79Å; D443-V452 HydrophobicContact CB-CG1 4.49Å; D443-V452 HydrophobicContact CB-CG2 3.51Å; V452-P504 HydrophobicContact CG1-CG 4.39Å
453E90Very high86.3Confident44 Ų4419.7 Ų19.721%0.2069%0.092CC..EExtended strand (participates in β ladder)trans-118.1132.5164.6-72.9179.7-161.900108.3V351 N352 Q353 L354 G439 W451V351-E453 HydrophobicContact CG1-CB 3.85Å; V351-E453 HydrophobicContact CG1-CG 3.75Å; V351-E453 WeakPolarHBondContact CG1-OE2 3.43Å; V351-E453 WeakPolarHBondContact CG2-OE1 3.29Å; N352-E453 PolarHBondContact O-N 2.7Å; N352-E453 VanDerWaalsContact O-N 3.08Å; Q353-E453 CarbonylContact C-O 3.35Å; Q353-E453 VanDerWaalsContact CA-O 3.3Å; Q353-E453 WeakPolarHBondContact CA-O 3.15Å; L354-E453 PolarHBondContact N-O 2.98Å; G439-E453 CarbonylContact O-C 3.45Å; G439-E453 WeakPolarHBondContact O-CA 3.11Å; G439-E453 WeakPolarHBondContact O-CB 3.44Å; W451-E453 PolarHBondContact NE1-OE1 2.7Å; W451-E453 VanDerWaalsContact NE1-OE1 3.12Å
454V88.6Confident86.4Confident1 Ų123.2 Ų23.21%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-89.9134.9177165.90000109.1L354 I356 Y437 Q438 G439 A441 A456 P504 F532L354-V454 HydrophobicContact CB-CG2 4.29Å; L354-V454 HydrophobicContact CD2-CG2 4.14Å; L354-V454 WeakPolarHBondContact O-CA 3.28Å; I356-V454 HydrophobicContact CD1-CG1 3.72Å; I356-V454 HydrophobicContact CD1-CG2 4.22Å; I356-V454 HydrophobicContact CG1-CG1 4.16Å; Y437-V454 HydrophobicContact CD1-CB 4.05Å; Y437-V454 HydrophobicContact CD1-CG1 3.98Å; Y437-V454 HydrophobicContact CE1-CB 4.1Å; Q438-V454 VanDerWaalsContact CA-O 3.28Å; Q438-V454 WeakPolarHBondContact CA-O 3.31Å; G439-V454 PolarHBondContact N-O 2.95Å; G439-V454 VanDerWaalsContact N-O 3.09Å; G439-V454 PolarHBondContact O-N 3.02Å; A441-V454 HydrophobicContact CB-CB 4.13Å; A441-V454 HydrophobicContact CB-CG2 3.42Å; A441-V454 VanDerWaalsContact CB-CG2 3.42Å; V454-A456 HydrophobicContact CG1-CB 4.09Å; V454-P504 HydrophobicContact CG2-CG 4.45Å; V454-F532 HydrophobicContact CB-CE2 4.37Å; V454-F532 HydrophobicContact CG1-CE2 4.44Å
455L88.7Confident86.5Confident14 Ų1425.3 Ų25.37%0.07312%0.118CC..EExtended strand (participates in β ladder)trans-114.494.9162.9176.864.3000108.1L354 V355 I356 P392 K435 Y437 Q438 T457L354-L455 PolarHBondContact O-N 3.23Å; V355-L455 WeakPolarHBondContact CA-O 3.41Å; V355-L455 HydrophobicContact CG2-CD2 4.5Å; I356-L455 PolarHBondContact N-O 3.33Å; P392-L455 HydrophobicContact CB-CD2 3.6Å; P392-L455 HydrophobicContact CG-CD2 4.1Å; K435-L455 HydrophobicContact CD-CD1 4.18Å; K435-L455 HydrophobicContact CG-CD1 4.23Å; Y437-L455 CarbonylContact O-C 3.33Å; Y437-L455 WeakPolarHBondContact O-CA 3.24Å; Q438-L455 HydrophobicContact CB-CD1 3.99Å; Q438-L455 HydrophobicContact CG-CD1 4.06Å; L455-T457 HydrophobicContact CD1-CG2 4.28Å; L455-T457 HydrophobicContact CG-CG2 4.16Å
456A85.4Confident86.5Confident0 Ų025.9 Ų25.90%012%0.12CC..EExtended strand (participates in β ladder)trans-88.9130.7175.500000109.6I356 L436 Y437 V454 F502I356-A456 HydrophobicContact CB-CB 4.48Å; I356-A456 WeakPolarHBondContact O-CA 3.35Å; L436-A456 HydrophobicContact CB-CB 4.03Å; L436-A456 HydrophobicContact CD1-CB 4.43Å; L436-A456 PolarHBondContact N-O 3.09Å; Y437-A456 PolarHBondContact N-O 2.83Å; Y437-A456 PolarHBondContact O-N 3.35Å; V454-A456 HydrophobicContact CG1-CB 4.09Å; A456-F502 HydrophobicContact CB-CD1 3.73Å; A456-F502 HydrophobicContact CB-CE1 3.93Å
457T81.4Confident86.4Confident1 Ų125.7 Ų25.71%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-133.4152.7-178.350.40000111.2I356 V358 H434 K435 L455 Y459I356-T457 PolarHBondContact O-N 3.08Å; V358-T457 WeakPolarHBondContact CB-O 3.48Å; V358-T457 WeakPolarHBondContact CG2-O 3.46Å; V358-T457 PolarHBondContact N-O 2.83Å; H434-T457 WeakPolarHBondContact CD2-CG2 3.18Å; H434-T457 CarbonylContact O-C 3.59Å; H434-T457 WeakPolarHBondContact O-CA 3.39Å; K435-T457 HydrophobicContact CG-CG2 4.35Å; L455-T457 HydrophobicContact CD1-CG2 4.28Å; L455-T457 HydrophobicContact CG-CG2 4.16Å; T457-Y459 VanDerWaalsContact OG1-CE2 3.31Å; T457-Y459 WeakPolarHBondContact OG1-CE2 3.49Å
458V80.1Confident86.2Confident42 Ų4225.7 Ų25.726%0.25512%0.118SC..EExtended strand (participates in β ladder)trans-121130.7175.862.60000111.3V358 L360 H434 L436V358-V458 HydrophobicContact CB-CB 4.35Å; V358-V458 HydrophobicContact CB-CG2 4.3Å; V358-V458 HydrophobicContact CG1-CG2 4.38Å; V358-V458 WeakPolarHBondContact O-CA 3.26Å; L360-V458 HydrophobicContact CD1-CG2 3.89Å; H434-V458 WeakPolarHBondContact CB-O 3.37Å; H434-V458 PolarHBondContact O-N 3.1Å; L436-V458 HydrophobicContact CD1-CB 3.99Å; L436-V458 HydrophobicContact CD2-CB 3.84Å; L436-V458 HydrophobicContact CD2-CG1 3.53Å; L436-V458 HydrophobicContact CG-CB 3.97Å; L436-V458 HydrophobicContact CG-CG1 4Å
459Y80.2Confident85.8Confident14 Ų1428.3 Ų28.36%0.05513%0.129CC..EExtended strand (participates in β ladder)trans-125109.6174.9-58.7-86.9000109.9P357 V358 L359 L360 I396 L397 H434 T457P357-Y459 HydrophobicContact CB-CD2 4.39Å; P357-Y459 HydrophobicContact CB-CE2 4.23Å; V358-Y459 PolarHBondContact O-N 3.21Å; L359-Y459 HydrophobicContact CD2-CD2 3.65Å; L359-Y459 HydrophobicContact CD2-CG 3.97Å; L360-Y459 PolarHBondContact N-O 3.05Å; I396-Y459 WeakPolarHBondContact CB-OH 3.44Å; I396-Y459 HydrophobicContact CD1-CE1 4.37Å; I396-Y459 PolarHBondContact O-OH 2.78Å; L397-Y459 HydrophobicContact CD2-CD2 4.23Å; L397-Y459 HydrophobicContact CD2-CE2 4.05Å; H434-Y459 HydrophobicContact CB-CE1 4.39Å; H434-Y459 AromaticContact CD2-CE1 3.79Å; H434-Y459 AromaticContact CD2-CZ 3.51Å; H434-Y459 PolarHBondContact CD2-OH 2.84Å; H434-Y459 PolarHBondContact NE2-OH 3.46Å; T457-Y459 VanDerWaalsContact OG1-CE2 3.31Å; T457-Y459 WeakPolarHBondContact OG1-CE2 3.49Å
460M77.6Confident85.6Confident37 Ų3728.2 Ų28.218%0.18213%0.127CC..EExtended strand (participates in β ladder)trans-87.9116.3173.4-179.25878.300110.9L360 K462 R466 L564 F565L360-M460 HydrophobicContact CB-CE 3.92Å; L360-M460 HydrophobicContact CB-SD 3.73Å; L360-M460 HydrophobicContact CD1-CE 3.78Å; M460-K462 HydrophobicContact CG-CB 4.2Å; M460-R466 PolarHBondContact O-NH2 3.34Å; M460-L564 HydrophobicContact CE-CB 4.33Å; M460-L564 HydrophobicContact CE-CD1 3.4Å; M460-L564 VanDerWaalsContact CE-CD1 3.4Å; M460-L564 HydrophobicContact CE-CD2 3.05Å; M460-L564 HydrophobicContact CE-CG 3.62Å; M460-L564 HydrophobicContact CG-CD1 4.28Å; M460-L564 HydrophobicContact SD-CD1 3.28Å; M460-L564 WeakPolarHBondContact SD-CD1 3.12Å; M460-L564 HydrophobicContact SD-CD2 4.04Å; M460-L564 HydrophobicContact SD-CG 4.18Å; M460-F565 HydrophobicContact CE-CE2 4.35Å
461D81.4Confident85.4Confident6 Ų632.3 Ų32.33%0.03215%0.149CC..EExtended strand (participates in β ladder)trans-106.269.1170.7-171.716.4000111.6L360 Y463 R464 T465 R466 F467 G468L360-D461 PolarHBondContact O-N 3.4Å; D461-Y463 VanDerWaalsContact C-N 3.29Å; D461-Y463 PolarHBondContact O-N 3.04Å; D461-R464 PolarHBondContact O-N 2.9Å; D461-R464 VanDerWaalsContact O-N 3.13Å; D461-R464 PolarHBondContact OD1-N 2.84Å; D461-R464 WeakPolarHBondContact OD2-CA 3.42Å; D461-T465 PolarHBondContact OD1-N 2.75Å; D461-T465 PolarHBondContact OD1-OG1 3.23Å; D461-T465 PolarHBondContact OD2-N 3Å; D461-R466 HydrophobicContact CB-CB 4.41Å; D461-R466 PolarHBondContact OD1-N 3.01Å; D461-R466 VanDerWaalsContact OD2-CA 3.23Å; D461-R466 WeakPolarHBondContact OD2-CA 3.19Å; D461-R466 WeakPolarHBondContact OD2-CB 3.42Å; D461-R466 PolarHBondContact OD2-N 2.79Å; D461-R466 VanDerWaalsContact OD2-O 3.13Å; D461-F467 PolarHBondContact OD2-N 3.1Å; D461-G468 VanDerWaalsContact OD2-CA 3.3Å; D461-G468 WeakPolarHBondContact OD2-CA 3.43Å; D461-G468 PolarHBondContact OD2-N 3.49Å
462K74Confident85.4Confident29 Ų2932 Ų3213%0.12615%0.148CC..THydrogen-bonded Turntrans-60.9-33.9-174.3-167.1-170176.8-159.90113.8D362 M460 I560 L564D362-K462 HydrophobicContact CB-CG 4.07Å; D362-K462 WeakPolarHBondContact CB-O 3.25Å; M460-K462 HydrophobicContact CG-CB 4.2Å; K462-I560 WeakPolarHBondContact CD-O 3.34Å; K462-I560 WeakPolarHBondContact CE-O 3.47Å; K462-I560 PolarHBondContact NZ-O 3.05Å; K462-L564 HydrophobicContact CB-CD1 4.49Å; K462-L564 HydrophobicContact CG-CD1 4.04Å
463Y80.8Confident85.3Confident111 Ų11139.3 Ų39.344%0.43518%0.18SC..THydrogen-bonded Turntrans-944.1179.6-59.3-62.6000113.9D461 T465 I560D461-Y463 VanDerWaalsContact C-N 3.29Å; D461-Y463 PolarHBondContact O-N 3.04Å; Y463-T465 PolarHBondContact O-N 3.47Å; Y463-I560 HydrophobicContact CD2-CG1 4.5Å; Y463-I560 HydrophobicContact CD2-CG2 4.34Å; Y463-I560 HydrophobicContact CE2-CB 3.72Å; Y463-I560 HydrophobicContact CE2-CD1 3.8Å; Y463-I560 HydrophobicContact CE2-CG1 3.28Å; Y463-I560 HydrophobicContact CE2-CG2 3.23Å; Y463-I560 VanDerWaalsContact CZ-CG1 3.42Å; Y463-I560 WeakPolarHBondContact OH-CA 3.42Å; Y463-I560 WeakPolarHBondContact OH-CB 3.5Å; Y463-I560 WeakPolarHBondContact OH-CG1 3.48Å; Y463-I560 WeakPolarHBondContact OH-CG2 3.49Å; Y463-I560 PolarHBondContact OH-O 3.4Å
464R85.6Confident85.2Confident80 Ų8045.9 Ų45.930%0.30221%0.21SC..SBendtrans51.448.1-173.2-59.8-175.3-63.9-171.53110.5R361 D362 N363 H364 D461 F469R361-R464 HydrophobicContact CB-CG 4.45Å; D362-R464 WeakPolarHBondContact O-CD 3.48Å; D362-R464 WeakPolarHBondContact O-CG 3.34Å; N363-R464 PolarHBondContact OD1-NH1 2.77Å; H364-R464 PolarHBondContact CD2-NH1 3.33Å; H364-R464 VanDerWaalsContact CD2-NH1 3.31Å; H364-R464 PolarHBondContact CE1-NH2 2.76Å; H364-R464 VanDerWaalsContact CE1-NH2 3.28Å; H364-R464 PolarHBondContact NE2-NH1 3.21Å; H364-R464 PolarHBondContact NE2-NH2 3.49Å; D461-R464 PolarHBondContact O-N 2.9Å; D461-R464 VanDerWaalsContact O-N 3.13Å; D461-R464 PolarHBondContact OD1-N 2.84Å; D461-R464 WeakPolarHBondContact OD2-CA 3.42Å; R464-F469 WeakPolarHBondContact O-CA 3.43Å; R464-F469 WeakPolarHBondContact O-CB 3.37Å
465T84.5Confident85.1Confident57 Ų5747.5 Ų47.535%0.3522%0.218SC..  trans-105.7-13.5-179.451.30000112.6R417 D461 Y463R417-T465 PolarHBondContact NH2-O 2.87Å; D461-T465 PolarHBondContact OD1-N 2.75Å; D461-T465 PolarHBondContact OD1-OG1 3.23Å; D461-T465 PolarHBondContact OD2-N 3Å; Y463-T465 PolarHBondContact O-N 3.47Å
466R87.2Confident85Confident59 Ų5948.3 Ų48.322%0.22322%0.221CC..SBendtrans-116.8-142.5175.2-62.5-179.4-74.4-107.65.8108.1V421 Q424 M460 D461 G468 F469V421-R466 HydrophobicContact CG1-CB 4.14Å; Q424-R466 HydrophobicContact CB-CG 4.23Å; M460-R466 PolarHBondContact O-NH2 3.34Å; D461-R466 HydrophobicContact CB-CB 4.41Å; D461-R466 PolarHBondContact OD1-N 3.01Å; D461-R466 VanDerWaalsContact OD2-CA 3.23Å; D461-R466 WeakPolarHBondContact OD2-CA 3.19Å; D461-R466 WeakPolarHBondContact OD2-CB 3.42Å; D461-R466 PolarHBondContact OD2-N 2.79Å; D461-R466 VanDerWaalsContact OD2-O 3.13Å; R466-G468 PolarHBondContact O-N 2.81Å; R466-F469 WeakPolarHBondContact O-CB 3.42Å; R466-F469 WeakPolarHBondContact O-CD1 3.32Å; R466-F469 PolarHBondContact O-N 2.84Å
467F90Very high84.6Confident6 Ų656 Ų563%0.02626%0.263CS..G310 helixtrans-49.3-29.7-175-54.8-70.3000115.3L359 L397 F405 F409 V421 F422 A425 D461 F469L359-F467 HydrophobicContact CD1-CB 4.3Å; L359-F467 HydrophobicContact CD1-CD2 4.4Å; L359-F467 HydrophobicContact CD1-CG 4.35Å; L359-F467 HydrophobicContact CD2-CD2 4.35Å; L397-F467 HydrophobicContact CD1-CD1 4.24Å; L397-F467 HydrophobicContact CD1-CE1 3.69Å; L397-F467 HydrophobicContact CD1-CE2 3.97Å; L397-F467 HydrophobicContact CD1-CZ 3.55Å; L397-F467 HydrophobicContact CD2-CE2 4.22Å; L397-F467 HydrophobicContact CD2-CZ 4.48Å; L397-F467 HydrophobicContact CG-CE2 4.48Å; L397-F467 HydrophobicContact CG-CZ 4.25Å; F405-F467 HydrophobicContact CD1-CD1 4.31Å; F405-F467 AromaticContact CD2-CD1 3.92Å; F405-F467 HydrophobicContact CD2-CD1 3.92Å; F405-F467 HydrophobicContact CD2-CE1 4.28Å; F405-F467 HydrophobicContact CE2-CD1 4.14Å; F405-F467 HydrophobicContact CG-CD1 4.02Å; F405-F467 HydrophobicContact CG-CE1 4.41Å; F405-F467 HydrophobicContact CZ-CB 4.3Å; F405-F467 HydrophobicContact CZ-CD1 4.45Å; F409-F467 AromaticContact CE2-CD1 3.84Å; F409-F467 HydrophobicContact CE2-CD1 3.84Å; F409-F467 HydrophobicContact CE2-CE1 4.3Å; F409-F467 HydrophobicContact CZ-CD1 4.21Å; V421-F467 HydrophobicContact CG1-CD1 3.82Å; V421-F467 HydrophobicContact CG1-CE1 3.74Å; V421-F467 HydrophobicContact CG1-CG 4.23Å; V421-F467 HydrophobicContact CG1-CZ 4.1Å; F422-F467 HydrophobicContact CD1-CE1 4.23Å; F422-F467 HydrophobicContact CD1-CZ 4.06Å; F422-F467 AromaticContact CE1-CE1 3.89Å; F422-F467 HydrophobicContact CE1-CE1 3.89Å; F422-F467 HydrophobicContact CE1-CZ 4.01Å; F422-F467 HydrophobicContact CE2-CE1 4.36Å; F422-F467 AromaticContact CZ-CE1 3.96Å; F422-F467 HydrophobicContact CZ-CE1 3.96Å; A425-F467 HydrophobicContact CB-CE2 3.54Å; A425-F467 HydrophobicContact CB-CZ 3.84Å; D461-F467 PolarHBondContact OD2-N 3.1Å; F467-F469 VanDerWaalsContact C-N 3.26Å; F467-F469 PolarHBondContact O-N 3.1Å
468G88Confident84.2Confident0 Ų060.5 Ų60.50%029%0.286CS..G310 helixtrans-71.9-10179.900000115.5R361 D461 R466 F470R361-G468 WeakPolarHBondContact CD-O 3.39Å; R361-G468 PolarHBondContact NH1-O 2.83Å; D461-G468 VanDerWaalsContact OD2-CA 3.3Å; D461-G468 WeakPolarHBondContact OD2-CA 3.43Å; D461-G468 PolarHBondContact OD2-N 3.49Å; R466-G468 PolarHBondContact O-N 2.81Å; G468-F470 VanDerWaalsContact C-N 3.27Å; G468-F470 PolarHBondContact O-N 2.85Å
469F88.1Confident84.1Confident56 Ų5659.2 Ų59.225%0.24628%0.278CS..G310 helixtrans-65.4-28.5178.989.2-105.8000113.2F409 V413 R417 V421 R464 R466 F467F409-F469 HydrophobicContact CD1-CE1 4.3Å; F409-F469 AromaticContact CD1-CZ 3.92Å; F409-F469 HydrophobicContact CD1-CZ 3.92Å; F409-F469 HydrophobicContact CD2-CE1 4.4Å; F409-F469 AromaticContact CE1-CE1 3.94Å; F409-F469 HydrophobicContact CE1-CE1 3.94Å; F409-F469 AromaticContact CE1-CZ 3.84Å; F409-F469 HydrophobicContact CE1-CZ 3.84Å; F409-F469 HydrophobicContact CE2-CE1 4.03Å; F409-F469 HydrophobicContact CG-CZ 4.35Å; F409-F469 AromaticContact CZ-CE1 3.79Å; F409-F469 HydrophobicContact CZ-CE1 3.79Å; F409-F469 HydrophobicContact CZ-CZ 4.18Å; V413-F469 HydrophobicContact CB-CZ 4.5Å; V413-F469 HydrophobicContact CG1-CE2 4.3Å; V413-F469 HydrophobicContact CG1-CZ 4.28Å; V413-F469 HydrophobicContact CG2-CE2 3.88Å; V413-F469 HydrophobicContact CG2-CZ 3.88Å; R417-F469 HydrophobicContact CG-CE1 4.44Å; R417-F469 HydrophobicContact CG-CZ 4.32Å; V421-F469 HydrophobicContact CG2-CD1 4.2Å; V421-F469 HydrophobicContact CG2-CE1 3.93Å; R464-F469 WeakPolarHBondContact O-CA 3.43Å; R464-F469 WeakPolarHBondContact O-CB 3.37Å; R466-F469 WeakPolarHBondContact O-CB 3.42Å; R466-F469 WeakPolarHBondContact O-CD1 3.32Å; R466-F469 PolarHBondContact O-N 2.84Å; F467-F469 VanDerWaalsContact C-N 3.26Å; F467-F469 PolarHBondContact O-N 3.1Å
470F89.6Confident84.4Confident29 Ų2964 Ų6413%0.12730%0.295CS..SBendtrans-97134.4-171.8-160.8-88.1000111.2R361 L408 F409 T412 V413 G468 L472 H475 W483R361-F470 PolarHBondContact NH1-O 2.85Å; R361-F470 VanDerWaalsContact NH1-O 3.08Å; L408-F470 HydrophobicContact CD1-CE1 3.88Å; L408-F470 HydrophobicContact CD1-CZ 4.02Å; L408-F470 HydrophobicContact CD2-CD1 3.73Å; L408-F470 HydrophobicContact CD2-CE1 3.75Å; L408-F470 HydrophobicContact CD2-CG 4.39Å; L408-F470 HydrophobicContact CD2-CZ 4.44Å; L408-F470 HydrophobicContact CG-CD1 4.42Å; L408-F470 HydrophobicContact CG-CE1 4.08Å; L408-F470 HydrophobicContact CG-CZ 4.3Å; F409-F470 HydrophobicContact CD1-CD2 4.46Å; F409-F470 HydrophobicContact CE1-CB 3.72Å; F409-F470 HydrophobicContact CE1-CD2 4.36Å; F409-F470 HydrophobicContact CE1-CG 4.02Å; F409-F470 HydrophobicContact CZ-CB 4.45Å; T412-F470 HydrophobicContact CG2-CZ 4.23Å; T412-F470 WeakPolarHBondContact OG1-CE2 3.35Å; T412-F470 VanDerWaalsContact OG1-CZ 3.32Å; T412-F470 WeakPolarHBondContact OG1-CZ 3.45Å; V413-F470 HydrophobicContact CG2-CD2 3.73Å; V413-F470 HydrophobicContact CG2-CE2 3.66Å; G468-F470 VanDerWaalsContact C-N 3.27Å; G468-F470 PolarHBondContact O-N 2.85Å; F470-L472 HydrophobicContact CD1-CD2 3.75Å; F470-L472 HydrophobicContact CE1-CD2 4.45Å; F470-H475 AromaticContact CE1-CE1 3.98Å; F470-H475 AromaticContact CE1-ND1 3.7Å; F470-H475 AromaticContact CZ-CE1 3.93Å; F470-W483 PolarHBondContact O-NE1 3.13Å
471D89.7Confident85Confident86 Ų8662.9 Ų62.946%0.4629%0.29SS..  trans-84.8120.1171.4-167.72.6000110K473D471-K473 WeakPolarHBondContact OD1-CG 3.27Å; D471-K473 PolarHBondContact OD1-N 2.91Å
472L91.9Very high85.5Confident1 Ų162.6 Ų62.61%0.00529%0.288CS..  trans-88.5-5.6-173.3-57.9174.2000113L370 F405 L408 F470 E474 H475 E476 L479L370-L472 HydrophobicContact CD1-CD1 3.33Å; F405-L472 HydrophobicContact CE1-CD1 4.47Å; F405-L472 HydrophobicContact CE1-CD2 4.13Å; L408-L472 HydrophobicContact CD2-CD2 3.58Å; F470-L472 HydrophobicContact CD1-CD2 3.75Å; F470-L472 HydrophobicContact CE1-CD2 4.45Å; L472-E474 VanDerWaalsContact C-N 3.29Å; L472-E474 PolarHBondContact O-N 3.49Å; L472-E474 VanDerWaalsContact O-N 3.14Å; L472-H475 CarbonylContact O-C 3.31Å; L472-H475 WeakPolarHBondContact O-CA 3.37Å; L472-H475 PolarHBondContact O-N 2.92Å; L472-E476 VanDerWaalsContact O-CG 3.29Å; L472-E476 WeakPolarHBondContact O-CG 3.43Å; L472-E476 PolarHBondContact O-N 3.31Å; L472-L479 HydrophobicContact CD1-CD1 4.47Å; L472-L479 HydrophobicContact CD2-CD1 3.52Å; L472-L479 HydrophobicContact CG-CD1 4.39Å
473K89Confident86.3Confident152 Ų15262 Ų6266%0.66129%0.285SS*.G310 helixtrans-48.7-44.8-174.4-78.3-178.7178.9-178.30114.5D471 H475D471-K473 WeakPolarHBondContact OD1-CG 3.27Å; D471-K473 PolarHBondContact OD1-N 2.91Å; K473-H475 PolarHBondContact O-N 3.41Å
474E88Confident86.8Confident182 Ų18258.4 Ų58.485%0.8527%0.271SS*.G310 helixtrans-75.7-10.1179.5-64.6-178.4172.800113.7L472L472-E474 VanDerWaalsContact C-N 3.29Å; L472-E474 PolarHBondContact O-N 3.49Å; L472-E474 VanDerWaalsContact O-N 3.14Å
475H86.9Confident86.7Confident36 Ų3656 Ų5617%0.16727%0.266CS..G310 helixtrans-1235.8-172.3-57.381.1000112.7L408 F470 L472 K473 N477 L478 L479L408-H475 HydrophobicContact CD1-CB 4.17Å; L408-H475 WeakPolarHBondContact CD1-CD2 3.36Å; F470-H475 AromaticContact CE1-CE1 3.98Å; F470-H475 AromaticContact CE1-ND1 3.7Å; F470-H475 AromaticContact CZ-CE1 3.93Å; L472-H475 CarbonylContact O-C 3.31Å; L472-H475 WeakPolarHBondContact O-CA 3.37Å; L472-H475 PolarHBondContact O-N 2.92Å; K473-H475 PolarHBondContact O-N 3.41Å; H475-N477 VanDerWaalsContact C-N 3.29Å; H475-N477 PolarHBondContact O-N 3.09Å; H475-L478 WeakPolarHBondContact O-CB 3.04Å; H475-L478 PolarHBondContact O-N 2.81Å; H475-L479 HydrophobicContact CB-CD1 4.12Å; H475-L479 HydrophobicContact CB-CG 4.34Å; H475-L479 WeakPolarHBondContact O-CG 3.47Å; H475-L479 PolarHBondContact O-N 3.44Å
476E86.8Confident86.1Confident30 Ų3053.9 Ų53.914%0.1425%0.252CS..Hα-helixtrans-58.5-41.4-178.7-69.6-167.1162.200111.4V373 L472 L478 R480 R484V373-E476 HydrophobicContact CG2-CB 4.09Å; V373-E476 HydrophobicContact CG2-CG 4.13Å; L472-E476 VanDerWaalsContact O-CG 3.29Å; L472-E476 WeakPolarHBondContact O-CG 3.43Å; L472-E476 PolarHBondContact O-N 3.31Å; E476-L478 VanDerWaalsContact C-N 3.32Å; E476-L478 PolarHBondContact O-N 3.47Å; E476-R480 WeakPolarHBondContact O-CA 3.34Å; E476-R480 PolarHBondContact O-N 3.37Å; E476-R484 IonicContact OE1-CZ 3.77Å; E476-R484 IonicContact OE1-NH1 3.7Å; E476-R484 PolarHBondContact OE1-NH1 3.3Å; E476-R484 IonicContact OE1-NH2 2.7Å; E476-R484 PolarHBondContact OE1-NH2 2.94Å; E476-R484 IonicContact OE2-CZ 2.74Å; E476-R484 IonicContact OE2-NH1 3.55Å; E476-R484 IonicContact OE2-NH2 2.7Å; E476-R484 PolarHBondContact OE2-NH2 3.13Å
477N76.5Confident85.2Confident163 Ų16357 Ų5787%0.87227%0.267SS*.Hα-helixtrans-65.2-35176.6-69.4-23.4000112.8H475H475-N477 VanDerWaalsContact C-N 3.29Å; H475-N477 PolarHBondContact O-N 3.09Å
478L73.2Confident84.3Confident95 Ų9561.4 Ų61.450%0.49729%0.292SS..Hα-helixtrans-75.1-43-179.7179.566.6000111.2H475 E476H475-L478 WeakPolarHBondContact O-CB 3.04Å; H475-L478 PolarHBondContact O-N 2.81Å; E476-L478 VanDerWaalsContact C-N 3.32Å; E476-L478 PolarHBondContact O-N 3.47Å
479L77.6Confident83Confident14 Ų1461.4 Ų61.47%0.07329%0.292CS..Hα-helixtrans-89.8-17.8-174.8-59.5174.1000113.2A404 L408 L472 H475 Y481A404-L479 HydrophobicContact CB-CD2 3.64Å; L408-L479 HydrophobicContact CB-CD2 4.35Å; L408-L479 HydrophobicContact CD2-CD1 3.66Å; L472-L479 HydrophobicContact CD1-CD1 4.47Å; L472-L479 HydrophobicContact CD2-CD1 3.52Å; L472-L479 HydrophobicContact CG-CD1 4.39Å; H475-L479 HydrophobicContact CB-CD1 4.12Å; H475-L479 HydrophobicContact CB-CG 4.34Å; H475-L479 WeakPolarHBondContact O-CG 3.47Å; H475-L479 PolarHBondContact O-N 3.44Å; L479-Y481 WeakPolarHBondContact O-CD2 3.42Å; L479-Y481 PolarHBondContact O-N 2.77Å; L479-Y481 VanDerWaalsContact O-N 3.11Å
480R85.6Confident81.4Confident114 Ų11460.1 Ų60.143%0.4329%0.288SS..SBendtrans65.6-8.2-166-52.5165.857.9-160.9-2.5114.6E372 V373 E476E372-R480 WeakPolarHBondContact CA-O 2.99Å; V373-R480 PolarHBondContact N-O 3.28Å; E476-R480 WeakPolarHBondContact O-CA 3.34Å; E476-R480 PolarHBondContact O-N 3.37Å
481Y90.4Very high79.7Confident15 Ų1563 Ų636%0.05931%0.305CS..EExtended strand (participates in β ladder)trans-115.9147.2-174.2-59.1-69.7000112.3V371 E372 P385 L401 L479V371-Y481 VanDerWaalsContact O-CA 3.27Å; V371-Y481 WeakPolarHBondContact O-CA 3.36Å; E372-Y481 HydrophobicContact CB-CD1 4.06Å; E372-Y481 HydrophobicContact CB-CE1 3.93Å; E372-Y481 HydrophobicContact CG-CD1 4.48Å; E372-Y481 HydrophobicContact CG-CE1 4.2Å; P385-Y481 HydrophobicContact CB-CD1 4.23Å; P385-Y481 HydrophobicContact CB-CE1 3.7Å; P385-Y481 HydrophobicContact CB-CE2 4.44Å; P385-Y481 HydrophobicContact CG-CD1 3.8Å; P385-Y481 HydrophobicContact CG-CE1 3.75Å; P385-Y481 HydrophobicContact CG-CG 4.4Å; L401-Y481 HydrophobicContact CD1-CD2 3.75Å; L401-Y481 HydrophobicContact CD1-CE2 4.07Å; L401-Y481 HydrophobicContact CD1-CG 4.42Å; L479-Y481 WeakPolarHBondContact O-CD2 3.42Å; L479-Y481 PolarHBondContact O-N 2.77Å; L479-Y481 VanDerWaalsContact O-N 3.11Å
482G92Very high77.4Confident0 Ų062.7 Ų62.70%031%0.314CS..EExtended strand (participates in β ladder)trans-153.2158.2-177.200000112.2V371 V373V371-G482 PolarHBondContact N-O 2.79Å; V371-G482 PolarHBondContact O-N 3.18Å; V373-G482 VanDerWaalsContact CG2-N 3.32Å
483W92.1Very high75.5Confident15 Ų1571.3 Ų71.36%0.05735%0.352CS..EExtended strand (participates in β ladder)trans-80.5128.6179.1-62.9104.5000110L359 R361 E368 L370 F470L359-W483 HydrophobicContact CB-CH2 4.17Å; L359-W483 HydrophobicContact CB-CZ3 4.36Å; R361-W483 HydrophobicContact CB-CH2 4.24Å; R361-W483 HydrophobicContact CB-CZ3 4.07Å; R361-W483 HydrophobicContact CG-CD2 4.13Å; R361-W483 HydrophobicContact CG-CE3 3.73Å; R361-W483 HydrophobicContact CG-CH2 4.2Å; R361-W483 HydrophobicContact CG-CZ3 3.76Å; R361-W483 VanDerWaalsContact NH1-CD1 3.34Å; R361-W483 VanDerWaalsContact NH1-NE1 3.19Å; R361-W483 VanDerWaalsContact NH2-CG 3.33Å; E368-W483 HydrophobicContact CB-CB 4.21Å; E368-W483 HydrophobicContact CB-CE3 4.23Å; L370-W483 HydrophobicContact CB-CE3 4.22Å; L370-W483 HydrophobicContact CB-CH2 4.44Å; L370-W483 HydrophobicContact CB-CZ3 4.06Å; L370-W483 HydrophobicContact CD1-CD2 4.25Å; F470-W483 PolarHBondContact O-NE1 3.13Å
484R90Very high73.7Confident37 Ų3765.4 Ų65.414%0.1433%0.328CS..EExtended strand (participates in β ladder)trans-129.4145.7175.4-64.2-67178.4-86.15110.3E368 V369 V371 F376 D377 E476 L486E368-R484 CarbonylContact C-O 3.43Å; E368-R484 WeakPolarHBondContact CA-O 3.44Å; V369-R484 PolarHBondContact N-O 3.45Å; V369-R484 PolarHBondContact O-N 3.27Å; V371-R484 HydrophobicContact CG2-CB 3.85Å; V371-R484 HydrophobicContact CG2-CG 3.4Å; F376-R484 HydrophobicContact CD1-CB 4.41Å; F376-R484 HydrophobicContact CD1-CG 3.71Å; F376-R484 HydrophobicContact CE1-CB 4.16Å; F376-R484 HydrophobicContact CE1-CG 3.88Å; F376-R484 HydrophobicContact CG-CG 4.07Å; F376-R484 HydrophobicContact CZ-CB 4.22Å; F376-R484 HydrophobicContact CZ-CG 4.4Å; D377-R484 IonicContact OD1-CZ 3.12Å; D377-R484 IonicContact OD1-NE 2.99Å; D377-R484 PolarHBondContact OD1-NE 2.77Å; D377-R484 IonicContact OD1-NH2 3.87Å; D377-R484 PolarHBondContact OD1-NH2 3.34Å; D377-R484 IonicContact OD2-CZ 3.22Å; D377-R484 IonicContact OD2-NE 3.45Å; D377-R484 IonicContact OD2-NH2 3.59Å; D377-R484 PolarHBondContact OD2-NH2 2.96Å; E476-R484 IonicContact OE1-CZ 3.77Å; E476-R484 IonicContact OE1-NH1 3.7Å; E476-R484 PolarHBondContact OE1-NH1 3.3Å; E476-R484 IonicContact OE1-NH2 2.7Å; E476-R484 PolarHBondContact OE1-NH2 2.94Å; E476-R484 IonicContact OE2-CZ 2.74Å; E476-R484 IonicContact OE2-NH1 3.55Å; E476-R484 IonicContact OE2-NH2 2.7Å; E476-R484 PolarHBondContact OE2-NH2 3.13Å; R484-L486 PolarHBondContact O-N 3.23Å
485S83.2Confident71.9Confident28 Ų2860.9 Ų60.920%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-59.6126.7179.6173.10000110.8K487 N488 V489S485-K487 PolarHBondContact O-N 2.84Å; S485-K487 PolarHBondContact OG-N 2.9Å; S485-N488 WeakPolarHBondContact O-CB 3.47Å; S485-N488 PolarHBondContact O-N 2.82Å; S485-V489 PolarHBondContact O-N 3.42Å
486L71.7Confident70.3Confident14 Ų1461.9 Ų61.97%0.07332%0.316CS..Hα-helixtrans-60.5-31.1178.2-171.758.2000111.2L360 Y367 V369 R484 N488 V489 T490 L568L360-L486 HydrophobicContact CD2-CD2 4.46Å; Y367-L486 WeakPolarHBondContact O-CB 3.1Å; Y367-L486 PolarHBondContact O-N 3.19Å; V369-L486 HydrophobicContact CB-CD1 4.36Å; V369-L486 HydrophobicContact CG1-CD1 4.08Å; R484-L486 PolarHBondContact O-N 3.23Å; L486-N488 VanDerWaalsContact C-N 3.28Å; L486-N488 PolarHBondContact O-N 3.1Å; L486-V489 HydrophobicContact CD1-CB 4.41Å; L486-V489 HydrophobicContact CD1-CG1 4.29Å; L486-V489 WeakPolarHBondContact O-CB 3.14Å; L486-V489 PolarHBondContact O-N 2.81Å; L486-V489 VanDerWaalsContact O-N 3.13Å; L486-T490 HydrophobicContact CD1-CG2 3.87Å; L486-T490 HydrophobicContact CG-CG2 4.21Å; L486-T490 WeakPolarHBondContact O-CG2 3.44Å; L486-T490 PolarHBondContact O-N 3.41Å; L486-T490 PolarHBondContact O-OG1 3.26Å; L486-L568 HydrophobicContact CD2-CD1 3.61Å; L486-L568 HydrophobicContact CD2-CD2 3.39Å; L486-L568 HydrophobicContact CD2-CG 3.93Å; L486-L568 HydrophobicContact CG-CD2 3.94Å
487K69.3Low69Low123 Ų12362.3 Ų62.354%0.53532%0.318SS..Hα-helixtrans-59.5-37.8173.9-175.5-177.2-179.9-172.20112.6S485 V489 D491 L571S485-K487 PolarHBondContact O-N 2.84Å; S485-K487 PolarHBondContact OG-N 2.9Å; K487-V489 VanDerWaalsContact C-N 3.31Å; K487-D491 PolarHBondContact O-N 2.93Å; K487-L571 HydrophobicContact CB-CD1 4.24Å; K487-L571 HydrophobicContact CD-CD2 3.62Å; K487-L571 HydrophobicContact CG-CD1 4.37Å; K487-L571 HydrophobicContact CG-CD2 3.91Å
488N70.8Confident68.4Low100 Ų10056 Ų5654%0.53528%0.284SS..Hα-helixtrans-76.6-26.8179.8-63.3-1.1000111.2F376 S485 L486F376-N488 HydrophobicContact CZ-CB 4.11Å; S485-N488 WeakPolarHBondContact O-CB 3.47Å; S485-N488 PolarHBondContact O-N 2.82Å; L486-N488 VanDerWaalsContact C-N 3.28Å; L486-N488 PolarHBondContact O-N 3.1Å
489V61.1Low68Low0 Ų052.9 Ų52.90%027%0.268CS..Hα-helixtrans-77.2-30.8177.9169.10000111.6V369 F376 V382 S485 L486 K487 T494 L498V369-V489 HydrophobicContact CG1-CB 4.37Å; V369-V489 HydrophobicContact CG1-CG1 4.35Å; V369-V489 HydrophobicContact CG1-CG2 3.76Å; F376-V489 HydrophobicContact CD2-CG2 4.4Å; F376-V489 HydrophobicContact CE2-CG2 3.6Å; F376-V489 HydrophobicContact CZ-CG2 4.22Å; V382-V489 HydrophobicContact CB-CG1 4.34Å; V382-V489 HydrophobicContact CG1-CG1 3.71Å; V382-V489 HydrophobicContact CG2-CB 4.26Å; V382-V489 HydrophobicContact CG2-CG1 3.74Å; V382-V489 HydrophobicContact CG2-CG2 4.27Å; S485-V489 PolarHBondContact O-N 3.42Å; L486-V489 HydrophobicContact CD1-CB 4.41Å; L486-V489 HydrophobicContact CD1-CG1 4.29Å; L486-V489 WeakPolarHBondContact O-CB 3.14Å; L486-V489 PolarHBondContact O-N 2.81Å; L486-V489 VanDerWaalsContact O-N 3.13Å; K487-V489 VanDerWaalsContact C-N 3.31Å; V489-T494 PolarHBondContact O-OG1 2.86Å; V489-T494 VanDerWaalsContact O-OG1 3.06Å; V489-L498 HydrophobicContact CG1-CB 4.28Å; V489-L498 HydrophobicContact CG1-CD1 3.81Å; V489-L498 HydrophobicContact CG1-CD2 4.37Å; V489-L498 HydrophobicContact CG1-CG 4.37Å
490T55.2Low67.5Low28 Ų2853.6 Ų53.617%0.17227%0.271CS..SBendtrans-114.621-172.867.50000114.8L486 Q495 L498L486-T490 HydrophobicContact CD1-CG2 3.87Å; L486-T490 HydrophobicContact CG-CG2 4.21Å; L486-T490 WeakPolarHBondContact O-CG2 3.44Å; L486-T490 PolarHBondContact O-N 3.41Å; L486-T490 PolarHBondContact O-OG1 3.26Å; T490-Q495 WeakPolarHBondContact O-CG 3.35Å; T490-L498 HydrophobicContact CG2-CD2 3.69Å
491D52.1Low66.9Low90 Ų9048.1 Ų48.148%0.48125%0.251SS..SBendtrans-56.6153171.9-174.215.4000109.6K487 K493 T494 Q495K487-D491 PolarHBondContact O-N 2.93Å; D491-K493 PolarHBondContact O-N 3.44Å; D491-T494 PolarHBondContact N-OG1 2.83Å; D491-T494 VanDerWaalsContact N-OG1 3.13Å; D491-T494 CarbonylContact O-C 3.5Å; D491-T494 WeakPolarHBondContact O-CA 3.45Å; D491-T494 PolarHBondContact O-N 3.26Å; D491-T494 PolarHBondContact O-OG1 2.86Å; D491-Q495 PolarHBondContact O-N 2.75Å
492A42.6Very low66.1Low79 Ų7947.6 Ų47.665%0.65325%0.248SC*.THydrogen-bonded Turntrans-55.2-26.8-175.900000112.8
493K51.4Low65.1Low183 Ų18347.6 Ų47.680%0.79625%0.249SC*.THydrogen-bonded Turntrans-74.4-23.4173.2-67.9-175.2177.8-177.20114.1D491D491-K493 PolarHBondContact O-N 3.44Å
494T52.3Low64.4Low27 Ų2746.9 Ų46.917%0.16625%0.246CC..THydrogen-bonded Turntrans-118.31-171.257.70000114.3V489 D491 T496 I497 L498V489-T494 PolarHBondContact O-OG1 2.86Å; V489-T494 VanDerWaalsContact O-OG1 3.06Å; D491-T494 PolarHBondContact N-OG1 2.83Å; D491-T494 VanDerWaalsContact N-OG1 3.13Å; D491-T494 CarbonylContact O-C 3.5Å; D491-T494 WeakPolarHBondContact O-CA 3.45Å; D491-T494 PolarHBondContact O-N 3.26Å; D491-T494 PolarHBondContact O-OG1 2.86Å; T494-T496 PolarHBondContact O-N 2.75Å; T494-I497 HydrophobicContact CG2-CD1 3.49Å; T494-I497 VanDerWaalsContact CG2-CD1 3.49Å; T494-I497 HydrophobicContact CG2-CG1 4.48Å; T494-I497 WeakPolarHBondContact O-CA 3.42Å; T494-I497 WeakPolarHBondContact O-CB 3.45Å; T494-I497 PolarHBondContact O-N 2.05Å; T494-L498 PolarHBondContact O-N 2.93Å
495Q48.9Very low63.7Low88 Ų8847.7 Ų47.741%0.41126%0.255SS..Hα-helixtrans-53.8-41.2176.2-76.9-177.3-4.400112.6T490 D491 I497 L498 I499T490-Q495 WeakPolarHBondContact O-CG 3.35Å; D491-Q495 PolarHBondContact O-N 2.75Å; Q495-I497 PolarHBondContact O-N 2.78Å; Q495-L498 PolarHBondContact O-N 2.84Å; Q495-I499 PolarHBondContact O-N 2.92Å
496T52.7Low62.9Low56 Ų5647.4 Ų47.434%0.34425%0.253SS..Hα-helixtrans-61.6-33.4174.2-44.90000112.2L123 T494 I499 Q500L123-T496 HydrophobicContact CD2-CG2 3.44Å; L123-T496 VanDerWaalsContact CD2-CG2 3.44Å; L123-T496 HydrophobicContact CG-CG2 4.19Å; T494-T496 PolarHBondContact O-N 2.75Å; T496-I499 PolarHBondContact O-N 2.85Å; T496-Q500 WeakPolarHBondContact O-CB 3.23Å; T496-Q500 WeakPolarHBondContact O-CG 3.49Å; T496-Q500 PolarHBondContact O-N 2.81Å
497I60.3Low62.7Low39 Ų3946.8 Ų46.820%0.225%0.249CC..Hα-helixtrans-70.4-36-177.5-52.9176.7000110.9V382 T494 Q495 Q500 S501V382-I497 HydrophobicContact CB-CG2 3.94Å; V382-I497 HydrophobicContact CG2-CG2 3.9Å; T494-I497 HydrophobicContact CG2-CD1 3.49Å; T494-I497 VanDerWaalsContact CG2-CD1 3.49Å; T494-I497 HydrophobicContact CG2-CG1 4.48Å; T494-I497 WeakPolarHBondContact O-CA 3.42Å; T494-I497 WeakPolarHBondContact O-CB 3.45Å; T494-I497 PolarHBondContact O-N 2.05Å; Q495-I497 PolarHBondContact O-N 2.78Å; I497-Q500 PolarHBondContact O-N 3.07Å; I497-S501 PolarHBondContact O-N 3.16Å; I497-S501 VanDerWaalsContact O-N 3.12Å
498L64.2Low62.6Low30 Ų3041.1 Ų41.116%0.15723%0.225CC..Hα-helixtrans-66.1-44.4174.7179.462.5000111.4V382 V489 T490 T494 Q495 Q500 S501 F502V382-L498 HydrophobicContact CG1-CD1 4.06Å; V489-L498 HydrophobicContact CG1-CB 4.28Å; V489-L498 HydrophobicContact CG1-CD1 3.81Å; V489-L498 HydrophobicContact CG1-CD2 4.37Å; V489-L498 HydrophobicContact CG1-CG 4.37Å; T490-L498 HydrophobicContact CG2-CD2 3.69Å; T494-L498 PolarHBondContact O-N 2.93Å; Q495-L498 PolarHBondContact O-N 2.84Å; L498-Q500 VanDerWaalsContact C-N 3.32Å; L498-Q500 PolarHBondContact O-N 2.95Å; L498-S501 WeakPolarHBondContact O-CB 3.24Å; L498-S501 PolarHBondContact O-N 2.71Å; L498-S501 VanDerWaalsContact O-N 3.12Å; L498-S501 PolarHBondContact O-OG 2.93Å; L498-F502 WeakPolarHBondContact O-CD2 3.23Å
499I64.5Low62.4Low30 Ų3039.9 Ų39.915%0.15422%0.218CC..Hα-helixtrans-65.8-39.9179.1-50.8178.3000110.1Q495 T496 S501 F502 M533 L536Q495-I499 PolarHBondContact O-N 2.92Å; T496-I499 PolarHBondContact O-N 2.85Å; I499-S501 PolarHBondContact O-N 2.82Å; I499-F502 PolarHBondContact O-N 2.73Å; I499-F502 VanDerWaalsContact O-N 3.15Å; I499-M533 HydrophobicContact CB-CE 3.78Å; I499-M533 HydrophobicContact CB-SD 4.46Å; I499-M533 HydrophobicContact CG2-CE 3.29Å; I499-M533 HydrophobicContact CG2-SD 3.48Å; I499-M533 WeakPolarHBondContact CG2-SD 3.48Å; I499-L536 HydrophobicContact CG2-CB 4.43Å; I499-L536 HydrophobicContact CG2-CD1 4.23Å
500Q66.3Low62.3Low29 Ų2940.5 Ų40.514%0.13622%0.224CC..Hα-helixtrans-58.4-28173.6-75.3170.7-12.600113.4T496 I497 L498 F502 L503T496-Q500 WeakPolarHBondContact O-CB 3.23Å; T496-Q500 WeakPolarHBondContact O-CG 3.49Å; T496-Q500 PolarHBondContact O-N 2.81Å; I497-Q500 PolarHBondContact O-N 3.07Å; L498-Q500 VanDerWaalsContact C-N 3.32Å; L498-Q500 PolarHBondContact O-N 2.95Å; Q500-F502 PolarHBondContact O-N 3.5Å; Q500-L503 HydrophobicContact CB-CD1 4.46Å; Q500-L503 HydrophobicContact CG-CD1 4.47Å; Q500-L503 VanDerWaalsContact O-CB 3.27Å; Q500-L503 WeakPolarHBondContact O-CB 3.34Å; Q500-L503 PolarHBondContact O-N 3.25Å
501S74.4Confident62.5Low0 Ų041.7 Ų41.70%023%0.229CC..THydrogen-bonded Turntrans-67.5-14.3179.579.20000114.5V382 L384 I497 L498 I499 L503V382-S501 WeakPolarHBondContact O-CB 3.44Å; L384-S501 WeakPolarHBondContact CD1-OG 3.48Å; L384-S501 VanDerWaalsContact CG-OG 3.3Å; L384-S501 WeakPolarHBondContact CG-OG 3.49Å; I497-S501 PolarHBondContact O-N 3.16Å; I497-S501 VanDerWaalsContact O-N 3.12Å; L498-S501 WeakPolarHBondContact O-CB 3.24Å; L498-S501 PolarHBondContact O-N 2.71Å; L498-S501 VanDerWaalsContact O-N 3.12Å; L498-S501 PolarHBondContact O-OG 2.93Å; I499-S501 PolarHBondContact O-N 2.82Å; S501-L503 VanDerWaalsContact C-N 3.32Å
502F72.4Confident62.8Low3 Ų340.5 Ų40.51%0.01322%0.222CC..THydrogen-bonded Turntrans-82-9.6171.4-70.8-87.4000113.3I356 V358 L384 L436 A456 L498 I499 Q500 F532 L536 F540I356-F502 WeakPolarHBondContact CD1-O 3.38Å; I356-F502 HydrophobicContact CG2-CD1 4.39Å; V358-F502 HydrophobicContact CG2-CE1 3.54Å; V358-F502 HydrophobicContact CG2-CZ 3.51Å; L384-F502 HydrophobicContact CD1-CD1 4.3Å; L384-F502 HydrophobicContact CD1-CD2 4.26Å; L384-F502 HydrophobicContact CD1-CE1 4.01Å; L384-F502 HydrophobicContact CD1-CE2 3.96Å; L384-F502 HydrophobicContact CD1-CG 4.42Å; L384-F502 HydrophobicContact CD1-CZ 3.83Å; L436-F502 HydrophobicContact CD1-CE1 3.62Å; L436-F502 HydrophobicContact CD1-CZ 3.93Å; A456-F502 HydrophobicContact CB-CD1 3.73Å; A456-F502 HydrophobicContact CB-CE1 3.93Å; L498-F502 WeakPolarHBondContact O-CD2 3.23Å; I499-F502 PolarHBondContact O-N 2.73Å; I499-F502 VanDerWaalsContact O-N 3.15Å; Q500-F502 PolarHBondContact O-N 3.5Å; F502-F532 HydrophobicContact CB-CE1 4.23Å; F502-F532 HydrophobicContact CB-CZ 4.03Å; F502-F532 WeakPolarHBondContact O-CZ 3.38Å; F502-L536 HydrophobicContact CB-CD1 3.62Å; F502-L536 HydrophobicContact CD2-CD1 4.46Å; F502-L536 HydrophobicContact CG-CD1 4.07Å; F502-L536 HydrophobicContact CG-CD2 4.48Å; F502-F540 HydrophobicContact CD2-CE2 4.24Å; F502-F540 HydrophobicContact CD2-CZ 4.38Å; F502-F540 AromaticContact CE2-CE2 3.79Å; F502-F540 HydrophobicContact CE2-CE2 3.79Å; F502-F540 AromaticContact CE2-CZ 3.49Å; F502-F540 HydrophobicContact CE2-CZ 3.49Å; F502-F540 VanDerWaalsContact CE2-CZ 3.49Å; F502-F540 HydrophobicContact CZ-CE2 4.18Å; F502-F540 AromaticContact CZ-CZ 3.59Å; F502-F540 HydrophobicContact CZ-CZ 3.59Å
503L72.5Confident63.1Low1 Ų138.6 Ų38.61%0.00521%0.211CC..SBendtrans-76.1148.8173.4-62.5167.3000110.2Q386 Q500 S501 V505 V507 L511 L529 F532Q386-L503 PolarHBondContact NE2-O 3.27Å; Q500-L503 HydrophobicContact CB-CD1 4.46Å; Q500-L503 HydrophobicContact CG-CD1 4.47Å; Q500-L503 VanDerWaalsContact O-CB 3.27Å; Q500-L503 WeakPolarHBondContact O-CB 3.34Å; Q500-L503 PolarHBondContact O-N 3.25Å; S501-L503 VanDerWaalsContact C-N 3.32Å; L503-V505 PolarHBondContact O-N 2.73Å; L503-V507 HydrophobicContact CB-CB 4.31Å; L503-V507 HydrophobicContact CB-CG1 4.43Å; L503-V507 HydrophobicContact CD1-CG1 4.24Å; L503-L511 HydrophobicContact CD1-CD1 3.75Å; L503-L529 HydrophobicContact CD1-CD1 3.64Å; L503-L529 HydrophobicContact CD1-CG 4.48Å; L503-L529 HydrophobicContact CD2-CD1 3.5Å; L503-L529 HydrophobicContact CD2-CG 4.05Å; L503-L529 HydrophobicContact CG-CD1 4.23Å; L503-F532 HydrophobicContact CD2-CD1 3.57Å; L503-F532 HydrophobicContact CD2-CE1 3.45Å; L503-F532 VanDerWaalsContact CD2-CE1 3.45Å; L503-F532 HydrophobicContact CD2-CZ 4.45Å; L503-F532 HydrophobicContact CG-CE1 4.14Å
504P76.4Confident63Low0 Ų035.7 Ų35.70%020%0.198CC..  trans-50.9137.9167.5-23.732.2000110.8L354 A441 D443 V452 V454 S506 V507 N508L354-P504 HydrophobicContact CD2-CB 3.66Å; L354-P504 HydrophobicContact CD2-CG 3.72Å; A441-P504 HydrophobicContact CB-CG 4.2Å; D443-P504 HydrophobicContact CB-CG 4.39Å; D443-P504 VanDerWaalsContact OD2-CB 3.26Å; D443-P504 WeakPolarHBondContact OD2-CB 3.49Å; V452-P504 HydrophobicContact CG1-CG 4.39Å; V454-P504 HydrophobicContact CG2-CG 4.45Å; P504-S506 PolarHBondContact O-N 2.86Å; P504-V507 HydrophobicContact CB-CG2 4.24Å; P504-V507 HydrophobicContact CG-CG2 4.29Å; P504-V507 WeakPolarHBondContact O-CA 3.22Å; P504-V507 WeakPolarHBondContact O-CB 3.32Å; P504-V507 PolarHBondContact O-N 3.01Å; P504-N508 PolarHBondContact O-N 2.99Å; P504-N508 VanDerWaalsContact O-N 3.07Å
505V75.5Confident62.7Low53 Ų5340.6 Ų40.632%0.32122%0.217SC..Hα-helixtrans-48.5-40.3179.5-176.90000111.4Q386 L503 V507 N508 D509Q386-V505 VanDerWaalsContact CD-CG2 3.5Å; Q386-V505 HydrophobicContact CG-CG2 3.86Å; L503-V505 PolarHBondContact O-N 2.73Å; V505-V507 VanDerWaalsContact C-N 3.26Å; V505-V507 PolarHBondContact O-N 3.1Å; V505-N508 PolarHBondContact O-N 3.34Å; V505-D509 WeakPolarHBondContact CG1-OD2 3.36Å; V505-D509 WeakPolarHBondContact O-CB 3.48Å; V505-D509 PolarHBondContact O-N 3.35Å
506S65.6Low62.6Low23 Ų2340.5 Ų40.516%0.16122%0.216CC..Hα-helixtrans-59.7-33179.453.80000113.6D443 P444 R445 P504 A510D443-S506 VanDerWaalsContact CG-OG 3.25Å; D443-S506 PolarHBondContact OD1-OG 2.6Å; D443-S506 PolarHBondContact OD2-OG 2.82Å; P444-S506 WeakPolarHBondContact CD-OG 3.14Å; R445-S506 PolarHBondContact NH2-OG 3.19Å; P504-S506 PolarHBondContact O-N 2.86Å; S506-A510 VanDerWaalsContact O-CB 3.25Å; S506-A510 WeakPolarHBondContact O-CB 3.3Å; S506-A510 PolarHBondContact O-N 2.99Å
507V67.8Low62.3Low0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-78.5-45.7174.3-178.90000110.3P442 L503 P504 V505 D509 A510 L511 I525 L529P442-V507 WeakPolarHBondContact O-CG2 3.49Å; L503-V507 HydrophobicContact CB-CB 4.31Å; L503-V507 HydrophobicContact CB-CG1 4.43Å; L503-V507 HydrophobicContact CD1-CG1 4.24Å; P504-V507 HydrophobicContact CB-CG2 4.24Å; P504-V507 HydrophobicContact CG-CG2 4.29Å; P504-V507 WeakPolarHBondContact O-CA 3.22Å; P504-V507 WeakPolarHBondContact O-CB 3.32Å; P504-V507 PolarHBondContact O-N 3.01Å; V505-V507 VanDerWaalsContact C-N 3.26Å; V505-V507 PolarHBondContact O-N 3.1Å; V507-D509 VanDerWaalsContact C-N 3.31Å; V507-D509 PolarHBondContact O-N 3.41Å; V507-A510 CarbonylContact O-C 3.54Å; V507-A510 PolarHBondContact O-N 3.06Å; V507-L511 HydrophobicContact CG1-CD1 3.94Å; V507-L511 HydrophobicContact CG1-CG 4.2Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.02Å; V507-I525 HydrophobicContact CG1-CG2 4.3Å; V507-L529 HydrophobicContact CG1-CD1 3.85Å
508N67.4Low61.7Low4 Ų437.1 Ų37.12%0.02120%0.197CC..Hα-helixtrans-60.4-44-179.7-162.221000111.1Q383 P504 V505 A510 L511 L512Q383-N508 PolarHBondContact OE1-ND2 3.09Å; P504-N508 PolarHBondContact O-N 2.99Å; P504-N508 VanDerWaalsContact O-N 3.07Å; V505-N508 PolarHBondContact O-N 3.34Å; N508-A510 VanDerWaalsContact C-N 3.29Å; N508-A510 PolarHBondContact O-N 3.3Å; N508-L511 PolarHBondContact O-N 3.45Å; N508-L512 VanDerWaalsContact O-CB 3.28Å; N508-L512 WeakPolarHBondContact O-CB 3.29Å; N508-L512 VanDerWaalsContact O-CG 3.27Å; N508-L512 WeakPolarHBondContact O-CG 3.48Å; N508-L512 PolarHBondContact O-N 2.99Å; N508-L512 VanDerWaalsContact OD1-CD1 3.25Å; N508-L512 WeakPolarHBondContact OD1-CD1 3.48Å
509D66Low60.8Low74 Ų7443 Ų4340%0.39622%0.217SC..Hα-helixtrans-63.3-34.9173.8-77.4-15.6000112.3V505 V507 G513V505-D509 WeakPolarHBondContact CG1-OD2 3.36Å; V505-D509 WeakPolarHBondContact O-CB 3.48Å; V505-D509 PolarHBondContact O-N 3.35Å; V507-D509 VanDerWaalsContact C-N 3.31Å; V507-D509 PolarHBondContact O-N 3.41Å; D509-G513 WeakPolarHBondContact O-CA 3.5Å; D509-G513 PolarHBondContact O-N 3.31Å
510A60.3Low59.8Low14 Ų1442.7 Ų42.712%0.11622%0.221CC..Hα-helixtrans-74.4-37.717800000112S506 V507 N508 I517S506-A510 VanDerWaalsContact O-CB 3.25Å; S506-A510 WeakPolarHBondContact O-CB 3.3Å; S506-A510 PolarHBondContact O-N 2.99Å; V507-A510 CarbonylContact O-C 3.54Å; V507-A510 PolarHBondContact O-N 3.06Å; N508-A510 VanDerWaalsContact C-N 3.29Å; N508-A510 PolarHBondContact O-N 3.3Å; A510-I517 HydrophobicContact CB-CD1 3.36Å; A510-I517 HydrophobicContact CB-CG1 3.54Å
511L59Low58.9Low53 Ų5343.1 Ų43.128%0.27722%0.224SC..Hα-helixtrans-66.7-38.9172.9-69.9173.5000112.4M125 L503 V507 N508 L529M125-L511 HydrophobicContact SD-CD2 4.43Å; L503-L511 HydrophobicContact CD1-CD1 3.75Å; V507-L511 HydrophobicContact CG1-CD1 3.94Å; V507-L511 HydrophobicContact CG1-CG 4.2Å; V507-L511 WeakPolarHBondContact O-CG 3.4Å; V507-L511 PolarHBondContact O-N 3.02Å; N508-L511 PolarHBondContact O-N 3.45Å; L511-L529 HydrophobicContact CD1-CD1 4.04Å
512L58.9Low57.7Low64 Ų6445.5 Ų45.534%0.33524%0.237SC..Hα-helixtrans-95.9-18.9-174.3-63.9175.8000114.4R381 N508R381-L512 HydrophobicContact CG-CD1 4.29Å; N508-L512 VanDerWaalsContact O-CB 3.28Å; N508-L512 WeakPolarHBondContact O-CB 3.29Å; N508-L512 VanDerWaalsContact O-CG 3.27Å; N508-L512 WeakPolarHBondContact O-CG 3.48Å; N508-L512 PolarHBondContact O-N 2.99Å; N508-L512 VanDerWaalsContact OD1-CD1 3.25Å; N508-L512 WeakPolarHBondContact OD1-CD1 3.48Å
513G47.9Very low56.4Low40 Ų4047.8 Ų47.841%0.41225%0.253SS..THydrogen-bonded Turntrans-104.111.6-160.900000116.2D509 K515D509-G513 WeakPolarHBondContact O-CA 3.5Å; D509-G513 PolarHBondContact O-N 3.31Å; G513-K515 PolarHBondContact O-N 3.24Å
514K49.1Very low55.1Low122 Ų12249.1 Ų49.153%0.5326%0.261SS..THydrogen-bonded Turntrans52.125.1-173-54.9-170178.2-148.90113.6S131 E516S131-K514 VanDerWaalsContact CA-NZ 3.33Å; S131-K514 PolarHBondContact O-NZ 3.42Å; S131-K514 WeakPolarHBondContact OG-CE 3.31Å; S131-K514 PolarHBondContact OG-NZ 2.82Å; K514-E516 PolarHBondContact O-N 2.94Å
515K46.9Very low53.8Low130 Ų13049.4 Ų49.457%0.56526%0.263SS*.  trans-81.5116.6167.3-81.3-173.8174-179.50106.3D273 G513 I517D273-K515 IonicContact OD1-NZ 3.44Å; G513-K515 PolarHBondContact O-N 3.24Å; K515-I517 PolarHBondContact O-N 2.77Å
516E45.7Very low52.5Low86 Ų8648.5 Ų48.540%0.40226%0.264SS..  trans-60.5111.7174.3-74.3-178.5-176.900109.6E264 K514E264-E516 VanDerWaalsContact CB-OE2 3.32Å; E264-E516 WeakPolarHBondContact CB-OE2 3.44Å; E264-E516 VanDerWaalsContact CG-OE2 3.29Å; E264-E516 WeakPolarHBondContact CG-OE2 3.46Å; K514-E516 PolarHBondContact O-N 2.94Å
517I47.7Very low51.9Low19 Ų1951.6 Ų51.610%0.09728%0.276CS..  trans-84.6129.8165.9-56.4174.5000105.4A510 K515 R519 L521 L522 I525A510-I517 HydrophobicContact CB-CD1 3.36Å; A510-I517 HydrophobicContact CB-CG1 3.54Å; K515-I517 PolarHBondContact O-N 2.77Å; I517-R519 PolarHBondContact O-N 2.86Å; I517-L521 HydrophobicContact CG2-CB 3.83Å; I517-L521 HydrophobicContact CG2-CD2 3.71Å; I517-L521 HydrophobicContact CG2-CG 3.68Å; I517-L522 HydrophobicContact CB-CD1 4.37Å; I517-L522 HydrophobicContact CB-CD2 3.77Å; I517-L522 HydrophobicContact CB-CG 3.7Å; I517-L522 HydrophobicContact CD1-CD2 3.95Å; I517-L522 HydrophobicContact CG1-CD2 4.4Å; I517-L522 HydrophobicContact CG2-CD2 3.99Å; I517-L522 HydrophobicContact CG2-CG 3.78Å; I517-L522 WeakPolarHBondContact O-CD1 3.5Å; I517-L522 WeakPolarHBondContact O-CG 3.37Å; I517-I525 HydrophobicContact CG2-CD1 4.01Å
518S46.3Very low51.2Low4 Ų452.5 Ų52.53%0.02829%0.285CS..  trans-46.4138.1177.7240000112M268 G520 L521 L522M268-S518 WeakPolarHBondContact O-CA 3.36Å; M268-S518 WeakPolarHBondContact O-CB 3.18Å; M268-S518 PolarHBondContact O-N 3.08Å; M268-S518 PolarHBondContact O-OG 2.81Å; S518-G520 PolarHBondContact O-N 3Å; S518-G520 VanDerWaalsContact O-N 3.08Å; S518-L521 CarbonylContact O-C 3.59Å; S518-L521 WeakPolarHBondContact O-CA 3.3Å; S518-L521 WeakPolarHBondContact O-CB 3.48Å; S518-L521 PolarHBondContact O-N 3.31Å; S518-L521 WeakPolarHBondContact OG-CB 3.18Å; S518-L522 PolarHBondContact O-N 2.83Å
519R45.4Very low50.7Low154 Ų15453.4 Ų53.458%0.58129%0.29SS*.Hα-helixtrans-49.3-38.4174.9-79.9-172.9-174.4136.64.9113.4E262 I517 L522 S523E262-R519 IonicContact OE1-NH1 3.77Å; E262-R519 IonicContact OE1-NH2 3.81Å; E262-R519 IonicContact OE2-CZ 3.57Å; E262-R519 IonicContact OE2-NH1 2.78Å; E262-R519 PolarHBondContact OE2-NH1 2.89Å; E262-R519 IonicContact OE2-NH2 3.7Å; I517-R519 PolarHBondContact O-N 2.86Å; R519-L522 PolarHBondContact O-N 2.81Å; R519-S523 PolarHBondContact O-N 2.78Å; R519-S523 PolarHBondContact O-OG 2.84Å
520G44.9Very low50.2Low24 Ų2454.4 Ų54.425%0.24729%0.29CS..Hα-helixtrans-71-31.7175.700000114.1S518 S523 T524S518-G520 PolarHBondContact O-N 3Å; S518-G520 VanDerWaalsContact O-N 3.08Å; G520-S523 PolarHBondContact O-OG 2.86Å; G520-S523 VanDerWaalsContact O-OG 3.04Å; G520-T524 PolarHBondContact O-N 3.05Å; G520-T524 PolarHBondContact O-OG1 3.01Å
521L46.8Very low50.1Low37 Ų3757.3 Ų57.319%0.19430%0.304CS..Hα-helixtrans-77.4-34.5170-173.463.4000110.7P444 I517 S518 T524 I525P444-L521 HydrophobicContact CB-CD2 4.33Å; I517-L521 HydrophobicContact CG2-CB 3.83Å; I517-L521 HydrophobicContact CG2-CD2 3.71Å; I517-L521 HydrophobicContact CG2-CG 3.68Å; S518-L521 CarbonylContact O-C 3.59Å; S518-L521 WeakPolarHBondContact O-CA 3.3Å; S518-L521 WeakPolarHBondContact O-CB 3.48Å; S518-L521 PolarHBondContact O-N 3.31Å; S518-L521 WeakPolarHBondContact OG-CB 3.18Å; L521-T524 PolarHBondContact O-N 2.77Å; L521-I525 HydrophobicContact CD1-CD1 3.86Å; L521-I525 HydrophobicContact CD1-CG1 3.82Å; L521-I525 HydrophobicContact CD2-CD1 4.05Å; L521-I525 HydrophobicContact CG-CD1 3.54Å; L521-I525 HydrophobicContact CG-CG1 3.88Å; L521-I525 WeakPolarHBondContact O-CA 3.15Å; L521-I525 WeakPolarHBondContact O-CB 3.32Å; L521-I525 WeakPolarHBondContact O-CG1 3.49Å; L521-I525 PolarHBondContact O-N 2.81Å
522L48.4Very low50Low51 Ų5154.9 Ų54.927%0.26729%0.291SS..Hα-helixtrans-66.6-32.3172.3-80.5169.6000112.6M125 I517 S518 R519 G526M125-L522 HydrophobicContact CE-CD1 4.46Å; M125-L522 HydrophobicContact CE-CD2 4.38Å; I517-L522 HydrophobicContact CB-CD1 4.37Å; I517-L522 HydrophobicContact CB-CD2 3.77Å; I517-L522 HydrophobicContact CB-CG 3.7Å; I517-L522 HydrophobicContact CD1-CD2 3.95Å; I517-L522 HydrophobicContact CG1-CD2 4.4Å; I517-L522 HydrophobicContact CG2-CD2 3.99Å; I517-L522 HydrophobicContact CG2-CG 3.78Å; I517-L522 WeakPolarHBondContact O-CD1 3.5Å; I517-L522 WeakPolarHBondContact O-CG 3.37Å; S518-L522 PolarHBondContact O-N 2.83Å; R519-L522 PolarHBondContact O-N 2.81Å; L522-G526 WeakPolarHBondContact O-CA 3.08Å; L522-G526 PolarHBondContact O-N 2.72Å
523S45.7Very low49.9Very low51 Ų5152.2 Ų52.236%0.35728%0.277SS..Hα-helixtrans-75.9-39173.766.10000111.3R519 G520 Q527R519-S523 PolarHBondContact O-N 2.78Å; R519-S523 PolarHBondContact O-OG 2.84Å; G520-S523 PolarHBondContact O-OG 2.86Å; G520-S523 VanDerWaalsContact O-OG 3.04Å; S523-Q527 WeakPolarHBondContact O-CB 3.07Å; S523-Q527 PolarHBondContact O-N 3.22Å
524T44.8Very low50.4Low29 Ų2951.8 Ų51.818%0.17827%0.266CS..Hα-helixtrans-69.6-50.1175.1-50.30000111.6K286 G520 L521 G526 G528K286-T524 HydrophobicContact CD-CG2 4.37Å; K286-T524 PolarHBondContact NZ-OG1 3.04Å; G520-T524 PolarHBondContact O-N 3.05Å; G520-T524 PolarHBondContact O-OG1 3.01Å; L521-T524 PolarHBondContact O-N 2.77Å; T524-G526 VanDerWaalsContact C-N 3.3Å; T524-G528 PolarHBondContact O-N 3.45Å
525I48.9Very low50.8Low6 Ų650 Ų503%0.03126%0.261CS..Hα-helixtrans-61-46.8173.1-67-176.3000106.9P442 V507 I517 L521 Q527 G528 L529P442-I525 HydrophobicContact CB-CB 4.13Å; P442-I525 HydrophobicContact CB-CG1 3.83Å; P442-I525 HydrophobicContact CB-CG2 3.99Å; P442-I525 HydrophobicContact CG-CG2 4.28Å; V507-I525 HydrophobicContact CG1-CG2 4.3Å; I517-I525 HydrophobicContact CG2-CD1 4.01Å; L521-I525 HydrophobicContact CD1-CD1 3.86Å; L521-I525 HydrophobicContact CD1-CG1 3.82Å; L521-I525 HydrophobicContact CD2-CD1 4.05Å; L521-I525 HydrophobicContact CG-CD1 3.54Å; L521-I525 HydrophobicContact CG-CG1 3.88Å; L521-I525 WeakPolarHBondContact O-CA 3.15Å; L521-I525 WeakPolarHBondContact O-CB 3.32Å; L521-I525 WeakPolarHBondContact O-CG1 3.49Å; L521-I525 PolarHBondContact O-N 2.81Å; I525-Q527 PolarHBondContact O-N 3.04Å; I525-G528 CarbonylContact O-C 3.5Å; I525-G528 PolarHBondContact O-N 2.84Å; I525-L529 HydrophobicContact CG2-CB 4.2Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 VanDerWaalsContact O-CA 3.26Å; I525-L529 WeakPolarHBondContact O-CA 3.32Å; I525-L529 WeakPolarHBondContact O-CB 3.41Å; I525-L529 PolarHBondContact O-N 3Å
526G48.3Very low51.4Low33 Ų3343.8 Ų43.834%0.3424%0.235SC..Hα-helixtrans-57.1-46.8179.800000113.2L522 T524 K530L522-G526 WeakPolarHBondContact O-CA 3.08Å; L522-G526 PolarHBondContact O-N 2.72Å; T524-G526 VanDerWaalsContact C-N 3.3Å; G526-K530 WeakPolarHBondContact O-CA 2.8Å; G526-K530 WeakPolarHBondContact O-CB 3.34Å; G526-K530 PolarHBondContact O-N 2.85Å
527Q54.3Low51.6Low88 Ų8840.3 Ų40.341%0.41122%0.22SC..Hα-helixtrans-72.5-44.1176.3-170.86434.500112.2S523 I525 L529 K530 N531S523-Q527 WeakPolarHBondContact O-CB 3.07Å; S523-Q527 PolarHBondContact O-N 3.22Å; I525-Q527 PolarHBondContact O-N 3.04Å; Q527-L529 VanDerWaalsContact C-N 3.29Å; Q527-L529 PolarHBondContact O-N 2.81Å; Q527-K530 PolarHBondContact O-N 2.83Å; Q527-N531 PolarHBondContact NE2-OD1 3.35Å; Q527-N531 VanDerWaalsContact NE2-OD1 3.14Å; Q527-N531 WeakPolarHBondContact O-CB 3.27Å; Q527-N531 VanDerWaalsContact O-CG 3.25Å; Q527-N531 PolarHBondContact O-N 2.61Å; Q527-N531 PolarHBondContact O-OD1 3.49Å
528G53.3Low51.7Low19 Ų1942.5 Ų42.520%0.19623%0.232CC..Hα-helixtrans-66.7-32.2177.800000112.8T524 I525 F532T524-G528 PolarHBondContact O-N 3.45Å; I525-G528 CarbonylContact O-C 3.5Å; I525-G528 PolarHBondContact O-N 2.84Å; G528-F532 WeakPolarHBondContact O-CB 3.34Å; G528-F532 PolarHBondContact O-N 3.05Å
529L56.7Low52Low23 Ų2345.5 Ų45.512%0.1224%0.244CC..Hα-helixtrans-77.5-39174.3-171.2133.5000109.6P442 L503 V507 L511 I525 Q527 N531 F532 M533P442-L529 HydrophobicContact CG-CB 4.2Å; L503-L529 HydrophobicContact CD1-CD1 3.64Å; L503-L529 HydrophobicContact CD1-CG 4.48Å; L503-L529 HydrophobicContact CD2-CD1 3.5Å; L503-L529 HydrophobicContact CD2-CG 4.05Å; L503-L529 HydrophobicContact CG-CD1 4.23Å; V507-L529 HydrophobicContact CG1-CD1 3.85Å; L511-L529 HydrophobicContact CD1-CD1 4.04Å; I525-L529 HydrophobicContact CG2-CB 4.2Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 VanDerWaalsContact O-CA 3.26Å; I525-L529 WeakPolarHBondContact O-CA 3.32Å; I525-L529 WeakPolarHBondContact O-CB 3.41Å; I525-L529 PolarHBondContact O-N 3Å; Q527-L529 VanDerWaalsContact C-N 3.29Å; Q527-L529 PolarHBondContact O-N 2.81Å; L529-N531 VanDerWaalsContact C-N 3.34Å; L529-F532 PolarHBondContact O-N 3.2Å; L529-M533 HydrophobicContact CD2-CG 3.88Å; L529-M533 HydrophobicContact CG-CG 3.95Å; L529-M533 WeakPolarHBondContact O-CA 3.27Å; L529-M533 WeakPolarHBondContact O-CB 3.13Å; L529-M533 WeakPolarHBondContact O-CG 3.43Å; L529-M533 PolarHBondContact O-N 3.17Å
530K54.5Low51.9Low95 Ų9540.4 Ų40.441%0.41323%0.226SC..Hα-helixtrans-58.6-48.3169.6-178.6179.3177.6-178.80110G526 Q527 M533 L534G526-K530 WeakPolarHBondContact O-CA 2.8Å; G526-K530 WeakPolarHBondContact O-CB 3.34Å; G526-K530 PolarHBondContact O-N 2.85Å; Q527-K530 PolarHBondContact O-N 2.83Å; K530-M533 PolarHBondContact O-N 3.07Å; K530-L534 HydrophobicContact CG-CD1 3.87Å; K530-L534 HydrophobicContact CG-CG 4.34Å; K530-L534 WeakPolarHBondContact O-CA 3.44Å; K530-L534 WeakPolarHBondContact O-CB 3.43Å; K530-L534 WeakPolarHBondContact O-CG 3.1Å; K530-L534 PolarHBondContact O-N 3.36Å
531N59.4Low52.1Low76 Ų7644.9 Ų44.941%0.40624%0.239SC..Hα-helixtrans-63.5-49.6176.8-67.94.4000111.3Q527 L529 M533 L534 D535Q527-N531 PolarHBondContact NE2-OD1 3.35Å; Q527-N531 VanDerWaalsContact NE2-OD1 3.14Å; Q527-N531 WeakPolarHBondContact O-CB 3.27Å; Q527-N531 VanDerWaalsContact O-CG 3.25Å; Q527-N531 PolarHBondContact O-N 2.61Å; Q527-N531 PolarHBondContact O-OD1 3.49Å; L529-N531 VanDerWaalsContact C-N 3.34Å; N531-M533 VanDerWaalsContact C-N 3.35Å; N531-M533 PolarHBondContact O-N 2.03Å; N531-L534 CarbonylContact O-C 3.55Å; N531-L534 WeakPolarHBondContact O-CB 3.46Å; N531-L534 PolarHBondContact O-N 2.84Å; N531-L534 VanDerWaalsContact O-N 3.16Å; N531-D535 WeakPolarHBondContact O-CB 3.04Å; N531-D535 PolarHBondContact O-N 2.63Å
532F56Low51.9Low2 Ų246.5 Ų46.51%0.00925%0.251CS..Hα-helixtrans-57.9-44176.3173.9-98.6000112.8Y437 V454 F502 L503 G528 L529 L536Y437-F532 HydrophobicContact CD1-CD2 4.19Å; Y437-F532 AromaticContact CD1-CE2 3.64Å; Y437-F532 HydrophobicContact CD1-CE2 3.64Å; Y437-F532 AromaticContact CE1-CD2 3.61Å; Y437-F532 HydrophobicContact CE1-CD2 3.61Å; Y437-F532 AromaticContact CE1-CE2 3.43Å; Y437-F532 HydrophobicContact CE1-CE2 3.43Å; Y437-F532 VanDerWaalsContact CE1-CE2 3.43Å; Y437-F532 HydrophobicContact CE2-CD2 4Å; Y437-F532 HydrophobicContact CE2-CE2 4.37Å; Y437-F532 HydrophobicContact CG-CE2 4.19Å; Y437-F532 AromaticContact CZ-CD2 3.5Å; Y437-F532 VanDerWaalsContact CZ-CD2 3.5Å; Y437-F532 AromaticContact CZ-CE2 3.83Å; V454-F532 HydrophobicContact CB-CE2 4.37Å; V454-F532 HydrophobicContact CG1-CE2 4.44Å; F502-F532 HydrophobicContact CB-CE1 4.23Å; F502-F532 HydrophobicContact CB-CZ 4.03Å; F502-F532 WeakPolarHBondContact O-CZ 3.38Å; L503-F532 HydrophobicContact CD2-CD1 3.57Å; L503-F532 HydrophobicContact CD2-CE1 3.45Å; L503-F532 VanDerWaalsContact CD2-CE1 3.45Å; L503-F532 HydrophobicContact CD2-CZ 4.45Å; L503-F532 HydrophobicContact CG-CE1 4.14Å; G528-F532 WeakPolarHBondContact O-CB 3.34Å; G528-F532 PolarHBondContact O-N 3.05Å; L529-F532 PolarHBondContact O-N 3.2Å; F532-L536 HydrophobicContact CD1-CD1 3.82Å; F532-L536 HydrophobicContact CE1-CD1 3.23Å; F532-L536 HydrophobicContact CE1-CG 4.23Å; F532-L536 HydrophobicContact CE2-CD1 4.2Å; F532-L536 HydrophobicContact CZ-CD1 3.46Å; F532-L536 VanDerWaalsContact CZ-CD1 3.46Å; F532-L536 HydrophobicContact CZ-CG 4.22Å; F532-L536 WeakPolarHBondContact O-CB 3.28Å; F532-L536 WeakPolarHBondContact O-CG 3.33Å; F532-L536 PolarHBondContact O-N 3.01Å
533M57.2Low51.5Low7 Ų744.6 Ų44.63%0.03424%0.243CC..Hα-helixtrans-73.3-32.3178.6-64.5-72.7-78.100111L123 I499 L529 K530 N531 S537L123-M533 HydrophobicContact CD1-CE 4.16Å; I499-M533 HydrophobicContact CB-CE 3.78Å; I499-M533 HydrophobicContact CB-SD 4.46Å; I499-M533 HydrophobicContact CG2-CE 3.29Å; I499-M533 HydrophobicContact CG2-SD 3.48Å; I499-M533 WeakPolarHBondContact CG2-SD 3.48Å; L529-M533 HydrophobicContact CD2-CG 3.88Å; L529-M533 HydrophobicContact CG-CG 3.95Å; L529-M533 WeakPolarHBondContact O-CA 3.27Å; L529-M533 WeakPolarHBondContact O-CB 3.13Å; L529-M533 WeakPolarHBondContact O-CG 3.43Å; L529-M533 PolarHBondContact O-N 3.17Å; K530-M533 PolarHBondContact O-N 3.07Å; N531-M533 VanDerWaalsContact C-N 3.35Å; N531-M533 PolarHBondContact O-N 2.03Å; M533-S537 WeakPolarHBondContact O-CA 3.32Å; M533-S537 WeakPolarHBondContact O-CB 3.4Å; M533-S537 PolarHBondContact O-N 3.34Å; M533-S537 PolarHBondContact O-OG 3.22Å
534L57.2Low51.1Low32 Ų3245.5 Ų45.517%0.16824%0.244CC..Hα-helixtrans-63.8-51.7170.5-81.5169.4000109.7L120 K530 N531 L536 S537 D538L120-L534 HydrophobicContact CD1-CD2 3.53Å; L120-L534 HydrophobicContact CD1-CG 4.16Å; K530-L534 HydrophobicContact CG-CD1 3.87Å; K530-L534 HydrophobicContact CG-CG 4.34Å; K530-L534 WeakPolarHBondContact O-CA 3.44Å; K530-L534 WeakPolarHBondContact O-CB 3.43Å; K530-L534 WeakPolarHBondContact O-CG 3.1Å; K530-L534 PolarHBondContact O-N 3.36Å; N531-L534 CarbonylContact O-C 3.55Å; N531-L534 WeakPolarHBondContact O-CB 3.46Å; N531-L534 PolarHBondContact O-N 2.84Å; N531-L534 VanDerWaalsContact O-N 3.16Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.25Å; L534-S537 WeakPolarHBondContact CA-OG 3.4Å; L534-S537 CarbonylContact O-C 3.36Å; L534-S537 PolarHBondContact O-N 2.87Å; L534-S537 PolarHBondContact O-OG 2.03Å; L534-D538 WeakPolarHBondContact O-CB 3.06Å; L534-D538 PolarHBondContact O-N 3.41Å
535D58.5Low50.4Low83 Ų8345.2 Ų45.244%0.44425%0.247SC..Hα-helixtrans-57.5-44.8177.2-66.3-18.7000111.5Y437 N531 F539Y437-D535 HydrophobicContact CD2-CB 4.32Å; Y437-D535 HydrophobicContact CE2-CB 4.11Å; N531-D535 WeakPolarHBondContact O-CB 3.04Å; N531-D535 PolarHBondContact O-N 2.63Å; D535-F539 VanDerWaalsContact O-CB 3.3Å; D535-F539 WeakPolarHBondContact O-CB 3.02Å; D535-F539 PolarHBondContact O-N 3.35Å
536L58.5Low49.6Very low1 Ų150.2 Ų50.21%0.00527%0.273CS..Hα-helixtrans-65.4-43.1173.5-77.3178.7000111.8Y437 I499 F502 F532 L534 F539 F540Y437-L536 HydrophobicContact CG-CD2 4.47Å; I499-L536 HydrophobicContact CG2-CB 4.43Å; I499-L536 HydrophobicContact CG2-CD1 4.23Å; F502-L536 HydrophobicContact CB-CD1 3.62Å; F502-L536 HydrophobicContact CD2-CD1 4.46Å; F502-L536 HydrophobicContact CG-CD1 4.07Å; F502-L536 HydrophobicContact CG-CD2 4.48Å; F532-L536 HydrophobicContact CD1-CD1 3.82Å; F532-L536 HydrophobicContact CE1-CD1 3.23Å; F532-L536 HydrophobicContact CE1-CG 4.23Å; F532-L536 HydrophobicContact CE2-CD1 4.2Å; F532-L536 HydrophobicContact CZ-CD1 3.46Å; F532-L536 VanDerWaalsContact CZ-CD1 3.46Å; F532-L536 HydrophobicContact CZ-CG 4.22Å; F532-L536 WeakPolarHBondContact O-CB 3.28Å; F532-L536 WeakPolarHBondContact O-CG 3.33Å; F532-L536 PolarHBondContact O-N 3.01Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.25Å; L536-F539 CarbonylContact O-C 3.37Å; L536-F539 WeakPolarHBondContact O-CB 3.4Å; L536-F539 PolarHBondContact O-N 2.9Å; L536-F540 HydrophobicContact CB-CD2 4.27Å; L536-F540 HydrophobicContact CB-CE2 4.38Å; L536-F540 HydrophobicContact CD2-CE2 4.26Å; L536-F540 WeakPolarHBondContact O-CB 3.31Å; L536-F540 WeakPolarHBondContact O-CD2 3.22Å; L536-F540 PolarHBondContact O-N 3.3Å
537S50.9Low48.9Very low12 Ų1253.7 Ų53.78%0.08428%0.283CS..Hα-helixtrans-68.1-40.8-178.575.20000111.1M533 L534 F539 F540 F541M533-S537 WeakPolarHBondContact O-CA 3.32Å; M533-S537 WeakPolarHBondContact O-CB 3.4Å; M533-S537 PolarHBondContact O-N 3.34Å; M533-S537 PolarHBondContact O-OG 3.22Å; L534-S537 WeakPolarHBondContact CA-OG 3.4Å; L534-S537 CarbonylContact O-C 3.36Å; L534-S537 PolarHBondContact O-N 2.87Å; L534-S537 PolarHBondContact O-OG 2.03Å; S537-F539 VanDerWaalsContact C-N 3.35Å; S537-F540 CarbonylContact O-C 3.59Å; S537-F540 PolarHBondContact O-N 3.48Å; S537-F540 VanDerWaalsContact O-N 3.14Å; S537-F541 WeakPolarHBondContact O-CA 3.37Å; S537-F541 WeakPolarHBondContact O-CB 3.23Å; S537-F541 WeakPolarHBondContact O-CD2 3.47Å; S537-F541 WeakPolarHBondContact O-CG 3.38Å; S537-F541 PolarHBondContact O-N 2.98Å
538D50.7Low47.9Very low66 Ų6655.6 Ų55.635%0.35329%0.29SS..Hα-helixtrans-60.1-50.5170.6-77.8-19.3000107.4L534 F540 F541 T542 G543L534-D538 WeakPolarHBondContact O-CB 3.06Å; L534-D538 PolarHBondContact O-N 3.41Å; D538-F540 VanDerWaalsContact C-N 3.29Å; D538-F540 PolarHBondContact O-N 3.28Å; D538-F541 CarbonylContact O-C 3.55Å; D538-F541 PolarHBondContact O-N 2.83Å; D538-F541 VanDerWaalsContact O-N 3.13Å; D538-T542 WeakPolarHBondContact CA-OG1 3.3Å; D538-T542 HydrophobicContact CB-CG2 4.36Å; D538-T542 CarbonylContact O-C 3.53Å; D538-T542 WeakPolarHBondContact O-CA 3.4Å; D538-T542 WeakPolarHBondContact O-CB 3.41Å; D538-T542 PolarHBondContact O-N 3.36Å; D538-T542 PolarHBondContact O-OG1 3.26Å; D538-G543 PolarHBondContact O-N 2.95Å
539F50.5Low46.9Very low67 Ų6758.8 Ų58.829%0.29430%0.303SS..Hα-helixtrans-54.7-41.5172.9-174-81.9000113.7L436 D535 L536 S537 G543 L544L436-F539 HydrophobicContact CB-CE1 4.24Å; L436-F539 HydrophobicContact CB-CZ 4.37Å; L436-F539 HydrophobicContact CD2-CD1 4.03Å; L436-F539 HydrophobicContact CD2-CE1 3.12Å; L436-F539 HydrophobicContact CD2-CE2 4.47Å; L436-F539 HydrophobicContact CD2-CZ 3.39Å; L436-F539 HydrophobicContact CG-CE1 4.27Å; L436-F539 HydrophobicContact CG-CZ 4.46Å; L436-F539 WeakPolarHBondContact O-CD2 3.4Å; D535-F539 VanDerWaalsContact O-CB 3.3Å; D535-F539 WeakPolarHBondContact O-CB 3.02Å; D535-F539 PolarHBondContact O-N 3.35Å; L536-F539 CarbonylContact O-C 3.37Å; L536-F539 WeakPolarHBondContact O-CB 3.4Å; L536-F539 PolarHBondContact O-N 2.9Å; S537-F539 VanDerWaalsContact C-N 3.35Å; F539-G543 CarbonylContact O-C 3.5Å; F539-G543 VanDerWaalsContact O-C 3.31Å; F539-G543 WeakPolarHBondContact O-CA 3.49Å; F539-G543 PolarHBondContact O-N 3.34Å; F539-G543 VanDerWaalsContact O-N 3.17Å; F539-L544 PolarHBondContact O-N 2.91Å
540F45.3Very low45.8Very low46 Ų4660.4 Ų60.420%0.20232%0.32CS..Hα-helixtrans-80.2-15.7-179.6-80.2-63.9000114.7F502 L536 S537 D538 L544F502-F540 HydrophobicContact CD2-CE2 4.24Å; F502-F540 HydrophobicContact CD2-CZ 4.38Å; F502-F540 AromaticContact CE2-CE2 3.79Å; F502-F540 HydrophobicContact CE2-CE2 3.79Å; F502-F540 AromaticContact CE2-CZ 3.49Å; F502-F540 HydrophobicContact CE2-CZ 3.49Å; F502-F540 VanDerWaalsContact CE2-CZ 3.49Å; F502-F540 HydrophobicContact CZ-CE2 4.18Å; F502-F540 AromaticContact CZ-CZ 3.59Å; F502-F540 HydrophobicContact CZ-CZ 3.59Å; L536-F540 HydrophobicContact CB-CD2 4.27Å; L536-F540 HydrophobicContact CB-CE2 4.38Å; L536-F540 HydrophobicContact CD2-CE2 4.26Å; L536-F540 WeakPolarHBondContact O-CB 3.31Å; L536-F540 WeakPolarHBondContact O-CD2 3.22Å; L536-F540 PolarHBondContact O-N 3.3Å; S537-F540 CarbonylContact O-C 3.59Å; S537-F540 PolarHBondContact O-N 3.48Å; S537-F540 VanDerWaalsContact O-N 3.14Å; D538-F540 VanDerWaalsContact C-N 3.29Å; D538-F540 PolarHBondContact O-N 3.28Å; F540-L544 WeakPolarHBondContact O-CB 3.13Å; F540-L544 WeakPolarHBondContact O-CD1 3.49Å
541F47.6Very low44.8Very low119 Ų11962.6 Ų62.652%0.52233%0.326SS..Hα-helixtrans-125.7-44-174.7-66.1-65000112.4S537 D538 G545S537-F541 WeakPolarHBondContact O-CA 3.37Å; S537-F541 WeakPolarHBondContact O-CB 3.23Å; S537-F541 WeakPolarHBondContact O-CD2 3.47Å; S537-F541 WeakPolarHBondContact O-CG 3.38Å; S537-F541 PolarHBondContact O-N 2.98Å; D538-F541 CarbonylContact O-C 3.55Å; D538-F541 PolarHBondContact O-N 2.83Å; D538-F541 VanDerWaalsContact O-N 3.13Å; F541-G545 WeakPolarHBondContact O-CA 3.3Å; F541-G545 PolarHBondContact O-N 3.16Å
542T43.6Very low43.8Very low70 Ų7064 Ų6443%0.42934%0.337SS..Hα-helixtrans-83.2-30.9166.471.60000112.5D538 G545 L546D538-T542 WeakPolarHBondContact CA-OG1 3.3Å; D538-T542 HydrophobicContact CB-CG2 4.36Å; D538-T542 CarbonylContact O-C 3.53Å; D538-T542 WeakPolarHBondContact O-CA 3.4Å; D538-T542 WeakPolarHBondContact O-CB 3.41Å; D538-T542 PolarHBondContact O-N 3.36Å; D538-T542 PolarHBondContact O-OG1 3.26Å; T542-G545 CarbonylContact O-C 3.42Å; T542-G545 WeakPolarHBondContact O-CA 3.32Å; T542-G545 PolarHBondContact O-N 3.29Å; T542-G545 VanDerWaalsContact O-N 3.15Å; T542-L546 WeakPolarHBondContact O-CA 3.27Å; T542-L546 WeakPolarHBondContact O-CB 3.39Å; T542-L546 VanDerWaalsContact O-CG 3.27Å; T542-L546 WeakPolarHBondContact O-CG 3.29Å; T542-L546 PolarHBondContact O-N 3.23Å
543G39.3Very low42.9Very low11 Ų1169.2 Ų69.211%0.11337%0.37CS..Hα-helixtrans-76.5-32.9168.500000111.2D538 F539 G545 L547D538-G543 PolarHBondContact O-N 2.95Å; F539-G543 CarbonylContact O-C 3.5Å; F539-G543 VanDerWaalsContact O-C 3.31Å; F539-G543 WeakPolarHBondContact O-CA 3.49Å; F539-G543 PolarHBondContact O-N 3.34Å; F539-G543 VanDerWaalsContact O-N 3.17Å; G543-G545 PolarHBondContact O-N 3.49Å; G543-L547 WeakPolarHBondContact O-CA 3.3Å; G543-L547 WeakPolarHBondContact O-CB 3.24Å; G543-L547 WeakPolarHBondContact O-CD1 3.12Å; G543-L547 WeakPolarHBondContact O-CG 3.45Å; G543-L547 PolarHBondContact O-N 3.14Å
544L36.7Very low41.8Very low70 Ų7071.1 Ų71.137%0.36639%0.392SS..Hα-helixtrans-64.1-33.3160.2-115.173000111.5F539 F540 L547 F548F539-L544 PolarHBondContact O-N 2.91Å; F540-L544 WeakPolarHBondContact O-CB 3.13Å; F540-L544 WeakPolarHBondContact O-CD1 3.49Å; L544-L547 CarbonylContact O-C 3.56Å; L544-F548 WeakPolarHBondContact O-CA 3.49Å; L544-F548 WeakPolarHBondContact O-CB 2.99Å; L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.35Å; L544-F548 PolarHBondContact O-N 2.7Å
545G31Very low40.7Very low23 Ų2376.3 Ų76.324%0.23742%0.419CS..Hα-helixtrans-73.2-34.6179.800000113.6F541 T542 G543 F548 D549F541-G545 WeakPolarHBondContact O-CA 3.3Å; F541-G545 PolarHBondContact O-N 3.16Å; T542-G545 CarbonylContact O-C 3.42Å; T542-G545 WeakPolarHBondContact O-CA 3.32Å; T542-G545 PolarHBondContact O-N 3.29Å; T542-G545 VanDerWaalsContact O-N 3.15Å; G543-G545 PolarHBondContact O-N 3.49Å; G545-F548 CarbonylContact O-C 3.06Å; G545-F548 WeakPolarHBondContact O-CA 3.26Å; G545-F548 VanDerWaalsContact O-CB 3.32Å; G545-F548 WeakPolarHBondContact O-CB 2.96Å; G545-F548 PolarHBondContact O-N 3.03Å; G545-D549 WeakPolarHBondContact O-CA 2.97Å; G545-D549 WeakPolarHBondContact O-CB 3.38Å; G545-D549 VanDerWaalsContact O-CG 3.29Å; G545-D549 PolarHBondContact O-N 3.03Å
546L33Very low39.4Very low112 Ų11277 Ų7759%0.58643%0.426SS*.Hα-helixtrans-90.6-28.5176.7-76.4163.5000110.5T542 D549 A550T542-L546 WeakPolarHBondContact O-CA 3.27Å; T542-L546 WeakPolarHBondContact O-CB 3.39Å; T542-L546 VanDerWaalsContact O-CG 3.27Å; T542-L546 WeakPolarHBondContact O-CG 3.29Å; T542-L546 PolarHBondContact O-N 3.23Å; L546-D549 PolarHBondContact O-N 3.29Å; L546-A550 VanDerWaalsContact O-CA 3.28Å; L546-A550 WeakPolarHBondContact O-CA 3.33Å; L546-A550 WeakPolarHBondContact O-CB 3.31Å; L546-A550 PolarHBondContact O-N 2.99Å
547L33.7Very low38.2Very low106 Ų10686.2 Ų86.256%0.55547%0.466SS*.Hα-helixtrans-78.4-6.4159.6-64.4166.8000111.2G543 L544 Y551G543-L547 WeakPolarHBondContact O-CA 3.3Å; G543-L547 WeakPolarHBondContact O-CB 3.24Å; G543-L547 WeakPolarHBondContact O-CD1 3.12Å; G543-L547 WeakPolarHBondContact O-CG 3.45Å; G543-L547 PolarHBondContact O-N 3.14Å; L544-L547 CarbonylContact O-C 3.56Å; L547-Y551 WeakPolarHBondContact O-CB 3.2Å
548F32.5Very low37.5Very low127 Ų12790.9 Ų90.956%0.55749%0.494SS*.Hα-helixtrans-91-42.6162.7-111.4-106.2000109.1L544 G545 Y551 V552L544-F548 WeakPolarHBondContact O-CA 3.49Å; L544-F548 WeakPolarHBondContact O-CB 2.99Å; L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.35Å; L544-F548 PolarHBondContact O-N 2.7Å; G545-F548 CarbonylContact O-C 3.06Å; G545-F548 WeakPolarHBondContact O-CA 3.26Å; G545-F548 VanDerWaalsContact O-CB 3.32Å; G545-F548 WeakPolarHBondContact O-CB 2.96Å; G545-F548 PolarHBondContact O-N 3.03Å; F548-Y551 CarbonylContact O-C 3.51Å; F548-Y551 PolarHBondContact O-N 2.93Å; F548-V552 WeakPolarHBondContact O-CB 3.47Å; F548-V552 WeakPolarHBondContact O-CG2 3.15Å; F548-V552 PolarHBondContact O-N 3.29Å
549D32.1Very low36.5Very low86 Ų8696.4 Ų96.446%0.4652%0.516SS..Hα-helixtrans-85.7-39.3-172-79.9-22.3000111.9G545 L546 Y551 V552 T553G545-D549 WeakPolarHBondContact O-CA 2.97Å; G545-D549 WeakPolarHBondContact O-CB 3.38Å; G545-D549 VanDerWaalsContact O-CG 3.29Å; G545-D549 PolarHBondContact O-N 3.03Å; L546-D549 PolarHBondContact O-N 3.29Å; D549-Y551 PolarHBondContact O-N 3.2Å; D549-V552 CarbonylContact O-C 3.6Å; D549-V552 WeakPolarHBondContact O-CA 3.1Å; D549-V552 PolarHBondContact O-N 3.2Å; D549-T553 WeakPolarHBondContact O-CA 3.19Å; D549-T553 VanDerWaalsContact O-CB 3.25Å; D549-T553 WeakPolarHBondContact O-CB 3.42Å; D549-T553 WeakPolarHBondContact O-CG2 3.14Å; D549-T553 PolarHBondContact O-N 2.89Å; D549-T553 PolarHBondContact O-OG1 3.24Å
550A33.2Very low35.7Very low58 Ų5897.7 Ų97.748%0.47952%0.524SS..Hα-helixtrans-69.2-21164.800000112.2L546 G554L546-A550 VanDerWaalsContact O-CA 3.28Å; L546-A550 WeakPolarHBondContact O-CA 3.33Å; L546-A550 WeakPolarHBondContact O-CB 3.31Å; L546-A550 PolarHBondContact O-N 2.99Å; A550-G554 VanDerWaalsContact O-CA 3.23Å; A550-G554 WeakPolarHBondContact O-CA 3.31Å; A550-G554 PolarHBondContact O-N 2.85Å
551Y34.2Very low35.3Very low140 Ų14099 Ų9955%0.54954%0.537SS..Hα-helixtrans-84.9-13.8169.1-165.8-89.7000112.6L547 F548 D549L547-Y551 WeakPolarHBondContact O-CB 3.2Å; F548-Y551 CarbonylContact O-C 3.51Å; F548-Y551 PolarHBondContact O-N 2.93Å; D549-Y551 PolarHBondContact O-N 3.2Å
552V37.5Very low34.7Very low105 Ų10595.6 Ų95.664%0.63653%0.527SS*.Hα-helixtrans-104.3-14.7175.41660000111.7F548 D549F548-V552 WeakPolarHBondContact O-CB 3.47Å; F548-V552 WeakPolarHBondContact O-CG2 3.15Å; F548-V552 PolarHBondContact O-N 3.29Å; D549-V552 CarbonylContact O-C 3.6Å; D549-V552 WeakPolarHBondContact O-CA 3.1Å; D549-V552 PolarHBondContact O-N 3.2Å
553T38Very low34.5Very low112 Ų11296.8 Ų96.869%0.68753%0.528SS*.Hα-helixtrans-122.2-15.6-179.157.20000114.5D549D549-T553 WeakPolarHBondContact O-CA 3.19Å; D549-T553 VanDerWaalsContact O-CB 3.25Å; D549-T553 WeakPolarHBondContact O-CB 3.42Å; D549-T553 WeakPolarHBondContact O-CG2 3.14Å; D549-T553 PolarHBondContact O-N 2.89Å; D549-T553 PolarHBondContact O-OG1 3.24Å
554G33Very low34.5Very low48 Ų4896.3 Ų96.350%0.49552%0.523SS..SBendtrans-109.591.7-178.700000113.4A550A550-G554 VanDerWaalsContact O-CA 3.23Å; A550-G554 WeakPolarHBondContact O-CA 3.31Å; A550-G554 PolarHBondContact O-N 2.85Å
555L34.4Very low34.7Very low141 Ų14197.5 Ų97.574%0.73853%0.525SS*.  trans3.6115151.8-75.2153.8000118.6
556T31.1Very low35.4Very low97 Ų9799.9 Ų99.960%0.59553%0.532SS*.  32.894.212259.20000117.9
557F33.5Very low35.8Very low194 Ų19498.4 Ų98.485%0.85152%0.521SS*.  trans-156123.3131.3-120.9-89.7000110.4
558T35.8Very low36.1Very low110 Ų11095 Ų9568%0.67550%0.503SS*.  trans56108.7156.247.30000119.2I560T558-I560 PolarHBondContact O-N 2.96Å
559F30.5Very low36.5Very low182 Ų18290.3 Ų90.380%0.79849%0.492SS*.SBendtrans10.1107.2135.6-67.5-91.5000112.7
560I34.8Very low36.8Very low94 Ų9491.6 Ų91.648%0.48249%0.493SS..SBendtrans179.1-16.4135.7-85.8156.9000110.9K462 Y463 T558K462-I560 WeakPolarHBondContact CD-O 3.34Å; K462-I560 WeakPolarHBondContact CE-O 3.47Å; K462-I560 PolarHBondContact NZ-O 3.05Å; Y463-I560 HydrophobicContact CD2-CG1 4.5Å; Y463-I560 HydrophobicContact CD2-CG2 4.34Å; Y463-I560 HydrophobicContact CE2-CB 3.72Å; Y463-I560 HydrophobicContact CE2-CD1 3.8Å; Y463-I560 HydrophobicContact CE2-CG1 3.28Å; Y463-I560 HydrophobicContact CE2-CG2 3.23Å; Y463-I560 VanDerWaalsContact CZ-CG1 3.42Å; Y463-I560 WeakPolarHBondContact OH-CA 3.42Å; Y463-I560 WeakPolarHBondContact OH-CB 3.5Å; Y463-I560 WeakPolarHBondContact OH-CG1 3.48Å; Y463-I560 WeakPolarHBondContact OH-CG2 3.49Å; Y463-I560 PolarHBondContact OH-O 3.4Å; T558-I560 PolarHBondContact O-N 2.96Å
561V35.8Very low37.1Very low75 Ų7592.4 Ų92.446%0.45549%0.489SS..SBendtrans-106-1.4-172.4-175.10000115E563 F565V561-E563 PolarHBondContact O-N 2.92Å; V561-F565 HydrophobicContact CG1-CD2 3.63Å; V561-F565 HydrophobicContact CG1-CE2 3.4Å
562S35.6Very low37.3Very low46 Ų4690.7 Ų90.732%0.32249%0.488SS..Hα-helixtrans-76.7-16.9-163.863.90000119.3I566S562-I566 WeakPolarHBondContact O-CD1 3.19Å; S562-I566 VanDerWaalsContact O-CG1 3.22Å; S562-I566 WeakPolarHBondContact O-CG1 3.14Å
563E39.1Very low37.3Very low96 Ų9689.4 Ų89.445%0.44949%0.489SS..Hα-helixtrans-92.6-21.2-176.5-71.9-67.3149.600112.7V561 H567V561-E563 PolarHBondContact O-N 2.92Å; E563-H567 PolarHBondContact O-CD2 3.13Å; E563-H567 PolarHBondContact O-N 3.05Å
564L38.6Very low37.4Very low1 Ų189.8 Ų89.81%0.00549%0.486CS..Hα-helixtrans-74.4-46.9-175.5-135.4126.2000113.9Y367 M460 K462 H567 L568Y367-L564 HydrophobicContact CD1-CB 4.45Å; Y367-L564 HydrophobicContact CD1-CD1 3.2Å; Y367-L564 HydrophobicContact CD1-CD2 3.47Å; Y367-L564 VanDerWaalsContact CD1-CD2 3.47Å; Y367-L564 HydrophobicContact CD1-CG 3.14Å; Y367-L564 HydrophobicContact CD2-CD2 4.03Å; Y367-L564 HydrophobicContact CD2-CG 3.84Å; Y367-L564 HydrophobicContact CE1-CB 4.02Å; Y367-L564 HydrophobicContact CE1-CD1 2.89Å; Y367-L564 HydrophobicContact CE1-CD2 3.93Å; Y367-L564 HydrophobicContact CE1-CG 3.04Å; Y367-L564 VanDerWaalsContact CE2-CA 3.45Å; Y367-L564 HydrophobicContact CE2-CB 4.17Å; Y367-L564 HydrophobicContact CE2-CD1 4.42Å; Y367-L564 HydrophobicContact CE2-CD2 4.36Å; Y367-L564 HydrophobicContact CE2-CG 3.68Å; Y367-L564 HydrophobicContact CG-CD1 4.14Å; Y367-L564 HydrophobicContact CG-CD2 3.55Å; Y367-L564 HydrophobicContact CG-CG 3.58Å; Y367-L564 VanDerWaalsContact CZ-CA 3.4Å; Y367-L564 VanDerWaalsContact OH-CA 3.31Å; Y367-L564 WeakPolarHBondContact OH-CA 3.4Å; Y367-L564 PolarHBondContact OH-N 2.98Å; M460-L564 HydrophobicContact CE-CB 4.33Å; M460-L564 HydrophobicContact CE-CD1 3.4Å; M460-L564 VanDerWaalsContact CE-CD1 3.4Å; M460-L564 HydrophobicContact CE-CD2 3.05Å; M460-L564 HydrophobicContact CE-CG 3.62Å; M460-L564 HydrophobicContact CG-CD1 4.28Å; M460-L564 HydrophobicContact SD-CD1 3.28Å; M460-L564 WeakPolarHBondContact SD-CD1 3.12Å; M460-L564 HydrophobicContact SD-CD2 4.04Å; M460-L564 HydrophobicContact SD-CG 4.18Å; K462-L564 HydrophobicContact CB-CD1 4.49Å; K462-L564 HydrophobicContact CG-CD1 4.04Å; L564-H567 PolarHBondContact O-N 2.84Å; L564-L568 HydrophobicContact CD2-CD1 3.67Å; L564-L568 PolarHBondContact O-N 3.08Å
565F41.4Very low37.4Very low94 Ų9490.6 Ų90.641%0.41250%0.495SS..Hα-helixtrans-79.4-25.8-175.3-70-89.2000111.5M460 V561 G569M460-F565 HydrophobicContact CE-CE2 4.35Å; V561-F565 HydrophobicContact CG1-CD2 3.63Å; V561-F565 HydrophobicContact CG1-CE2 3.4Å; F565-G569 PolarHBondContact O-N 2.72Å
566I45.2Very low37.2Very low74 Ų7492.8 Ų92.838%0.37950%0.499SS..Hα-helixtrans-69.3-35170-66.7178.9000111S562 K570S562-I566 WeakPolarHBondContact O-CD1 3.19Å; S562-I566 VanDerWaalsContact O-CG1 3.22Å; S562-I566 WeakPolarHBondContact O-CG1 3.14Å; I566-K570 HydrophobicContact CG2-CD 4Å; I566-K570 WeakPolarHBondContact O-CB 3.21Å; I566-K570 WeakPolarHBondContact O-CD 3.3Å; I566-K570 WeakPolarHBondContact O-CG 3.3Å; I566-K570 PolarHBondContact O-N 3.36Å
567H41.3Very low37Very low80 Ų8093.1 Ų93.137%0.3750%0.503SS..Hα-helixtrans-81.6-35.9179.4-93.8-69.1000113.3Y367 E563 L564 K570 L571Y367-H567 HydrophobicContact CD2-CB 4.18Å; Y367-H567 HydrophobicContact CE2-CB 3.75Å; E563-H567 PolarHBondContact O-CD2 3.13Å; E563-H567 PolarHBondContact O-N 3.05Å; L564-H567 PolarHBondContact O-N 2.84Å; H567-K570 PolarHBondContact O-N 3.11Å; H567-L571 WeakPolarHBondContact O-CB 3.49Å; H567-L571 WeakPolarHBondContact O-CD1 3.41Å; H567-L571 WeakPolarHBondContact O-CG 3.44Å; H567-L571 PolarHBondContact O-N 3.44Å
568L41.3Very low36.8Very low34 Ų3495.7 Ų95.718%0.17851%0.507CS..Hα-helixtrans-66-43.8169.4-87.7153.8000112.3L486 L564 K570 L571 I572L486-L568 HydrophobicContact CD2-CD1 3.61Å; L486-L568 HydrophobicContact CD2-CD2 3.39Å; L486-L568 HydrophobicContact CD2-CG 3.93Å; L486-L568 HydrophobicContact CG-CD2 3.94Å; L564-L568 HydrophobicContact CD2-CD1 3.67Å; L564-L568 PolarHBondContact O-N 3.08Å; L568-K570 VanDerWaalsContact C-N 3.35Å; L568-K570 PolarHBondContact O-N 2.91Å; L568-L571 PolarHBondContact O-N 3.34Å; L568-I572 WeakPolarHBondContact O-CG1 3.33Å; L568-I572 PolarHBondContact O-N 3.22Å; L568-I572 VanDerWaalsContact O-N 3.13Å
569G40.8Very low36.2Very low30 Ų3099.3 Ų99.331%0.30951%0.514SS..Hα-helixtrans-65.1-34.117400000113.5F565 A573F565-G569 PolarHBondContact O-N 2.72Å; G569-A573 WeakPolarHBondContact O-CB 3.28Å; G569-A573 PolarHBondContact O-N 2.93Å
570K38.6Very low36.1Very low112 Ų11299.6 Ų99.649%0.48752%0.517SS..Hα-helixtrans-76.7-25.1174-80.2174.5-178.1169.90113.9I566 H567 L568 N574I566-K570 HydrophobicContact CG2-CD 4Å; I566-K570 WeakPolarHBondContact O-CB 3.21Å; I566-K570 WeakPolarHBondContact O-CD 3.3Å; I566-K570 WeakPolarHBondContact O-CG 3.3Å; I566-K570 PolarHBondContact O-N 3.36Å; H567-K570 PolarHBondContact O-N 3.11Å; L568-K570 VanDerWaalsContact C-N 3.35Å; L568-K570 PolarHBondContact O-N 2.91Å; K570-N574 VanDerWaalsContact O-CB 3.26Å; K570-N574 WeakPolarHBondContact O-CB 3.38Å; K570-N574 PolarHBondContact O-N 3.37Å; K570-N574 PolarHBondContact O-ND2 3.38Å
571L38.2Very low35.8Very low76 Ų76105.6 Ų105.640%0.39856%0.558SS.*Hα-helixtrans-74.4-35.3174-82.5163.3000111.4K487 H567 L568K487-L571 HydrophobicContact CB-CD1 4.24Å; K487-L571 HydrophobicContact CD-CD2 3.62Å; K487-L571 HydrophobicContact CG-CD1 4.37Å; K487-L571 HydrophobicContact CG-CD2 3.91Å; H567-L571 WeakPolarHBondContact O-CB 3.49Å; H567-L571 WeakPolarHBondContact O-CD1 3.41Å; H567-L571 WeakPolarHBondContact O-CG 3.44Å; H567-L571 PolarHBondContact O-N 3.44Å; L568-L571 PolarHBondContact O-N 3.34Å
572I38.5Very low35.8Very low103 Ų103107.1 Ų107.153%0.52856%0.563SS.*Hα-helixtrans-76.7-37.1175.4-63167.3000111.2L568L568-I572 WeakPolarHBondContact O-CG1 3.33Å; L568-I572 PolarHBondContact O-N 3.22Å; L568-I572 VanDerWaalsContact O-N 3.13Å
573A38.3Very low35.8Very low79 Ų79110.3 Ų110.365%0.65358%0.576SS**Hα-helixtrans-83.8-9.7-177.900000115.7G569G569-A573 WeakPolarHBondContact O-CB 3.28Å; G569-A573 PolarHBondContact O-N 2.93Å
574N39.6Very low35.6Very low119 Ų119111.1 Ų111.164%0.63658%0.583SS**THydrogen-bonded Turntrans-107.48.6-179.4-71.2-51.5000114.7K570 K576K570-N574 VanDerWaalsContact O-CB 3.26Å; K570-N574 WeakPolarHBondContact O-CB 3.38Å; K570-N574 PolarHBondContact O-N 3.37Å; K570-N574 PolarHBondContact O-ND2 3.38Å; N574-K576 PolarHBondContact O-N 3.28Å; N574-K576 VanDerWaalsContact O-N 3.11Å
575G32Very low35.4Very low66 Ų66117.6 Ų117.668%0.6862%0.617SS**SBendtrans-76.285.7162.900000110.3
576K30.5Very low35Very low187 Ų187119.1 Ų119.181%0.81363%0.629SS**  trans-60151.1-176-95.5-176.9176-178.60113.7N574N574-K576 PolarHBondContact O-N 3.28Å; N574-K576 VanDerWaalsContact O-N 3.11Å
577P28.6Very low34.4Very low104 Ų104122.1 Ų122.168%0.67565%0.646SS**  trans-87.8148.6-170.436.7-33000112.2
578W27.4Very low33.9Very low248 Ų248125.1 Ų125.194%0.93967%0.666SS**  trans-136.9109.1157.7-75.788000109.9
579F24.1Very low33.3Very low186 Ų186132.1 Ų132.182%0.81670%0.703SS**  trans-73.6152.4153.7-96.4-95.6000108.7
580Q27.5Very low32.7Very low187 Ų187140.6 Ų140.687%0.87474%0.736SS**  trans80107175.9-54.6176.2-35.200112.5
581V28.7Very low32.1Very low220 Ų220143.2 Ų143.2100%1.33376%0.759SS**  cis-139.2046.2168.20000111.2

Retrieved 581 of 581 residues in 333.6 ms (Link to these results)

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